A0A5K4F2E2_SCHMA Loading...

Mini-chromosome maintenance complex-binding protein

AlphaFold DB , UniProt , Accession A0A5K4F2E2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 592 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	61.4	Low	84.9	Confident	101 Å²	101	58.5 Å²	58.5	50%	0.498	29%	0.291	S	S	.	.				0	134.8	0	-69.2	146.8	174.6	0	0	108	Y6 V13 Q16 I17	M1-Y6 HydrophobicContact CB-CE2 3.9Å; M1-V13 HydrophobicContact CE-CG1 4.11Å; M1-V13 HydrophobicContact SD-CG1 3.67Å; M1-Q16 HydrophobicContact CE-CB 3.54Å; M1-Q16 HydrophobicContact CE-CG 4.36Å; M1-I17 HydrophobicContact CE-CG1 4.14Å
2	E	77.2	Confident	85.4	Confident	122 Å²	122	62.7 Å²	62.7	57%	0.57	31%	0.314	S	S	*	.			trans	-81.8	155.5	173.4	-68.4	-169.4	175.2	0	0	109.9	K4 D5	E2-K4 PolarHBondContact O-N 3.11Å; E2-K4 VanDerWaalsContact O-N 3.07Å; E2-D5 PolarHBondContact N-OD2 3.43Å; E2-D5 WeakPolarHBondContact O-CB 3.37Å; E2-D5 PolarHBondContact O-N 3.29Å
3	Y	79	Confident	85.8	Confident	84 Å²	84	58.1 Å²	58.1	33%	0.329	29%	0.291	S	S	.	.	H	α-helix	trans	-56.5	-27.5	176.1	78	-90.2	0	0	0	112.6	D5 Y6 H40 K43	Y3-D5 VanDerWaalsContact C-N 3.29Å; Y3-D5 PolarHBondContact O-N 3.23Å; Y3-Y6 PolarHBondContact O-N 3.32Å; Y3-H40 AromaticContact CD2-ND1 3.98Å; Y3-H40 AromaticContact CG-CE1 3.91Å; Y3-K43 HydrophobicContact CE2-CD 4.2Å; Y3-K43 PolarHBondContact OH-NZ 3.43Å; Y3-K43 VanDerWaalsContact OH-NZ 3.13Å
4	K	83.5	Confident	86.2	Confident	106 Å²	106	54.4 Å²	54.4	46%	0.461	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-39.8	178.3	-71.4	-179.5	178.5	173.3	0	111.2	E2 Y6 V7 T8	E2-K4 PolarHBondContact O-N 3.11Å; E2-K4 VanDerWaalsContact O-N 3.07Å; K4-Y6 VanDerWaalsContact C-N 3.28Å; K4-Y6 PolarHBondContact O-N 3.22Å; K4-V7 PolarHBondContact O-N 3.41Å; K4-T8 WeakPolarHBondContact O-CG2 3.44Å; K4-T8 PolarHBondContact O-N 3.47Å; K4-T8 PolarHBondContact O-OG1 3.35Å
5	D	87.3	Confident	86.4	Confident	62 Å²	62	54 Å²	54	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-38.9	-178	-55	-34	0	0	0	111.2	E2 Y3 V7 S9 V13	E2-D5 PolarHBondContact N-OD2 3.43Å; E2-D5 WeakPolarHBondContact O-CB 3.37Å; E2-D5 PolarHBondContact O-N 3.29Å; Y3-D5 VanDerWaalsContact C-N 3.29Å; Y3-D5 PolarHBondContact O-N 3.23Å; D5-V7 VanDerWaalsContact C-N 3.28Å; D5-V7 PolarHBondContact O-N 2.67Å; D5-S9 CarbonylContact O-C 3.49Å; D5-S9 WeakPolarHBondContact O-CA 3.38Å; D5-S9 PolarHBondContact O-N 3.04Å; D5-V13 HydrophobicContact CB-CG2 3.69Å
6	Y	89.3	Confident	86.5	Confident	15 Å²	15	57.4 Å²	57.4	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-29.5	176.1	-73.8	-92.8	0	0	0	113.2	M1 Y3 K4 P10 V13 F29 E32 M33 V36	M1-Y6 HydrophobicContact CB-CE2 3.9Å; Y3-Y6 PolarHBondContact O-N 3.32Å; K4-Y6 VanDerWaalsContact C-N 3.28Å; K4-Y6 PolarHBondContact O-N 3.22Å; Y6-P10 WeakPolarHBondContact O-CB 3.31Å; Y6-V13 HydrophobicContact CD1-CG1 3.93Å; Y6-V13 HydrophobicContact CE1-CG1 3.51Å; Y6-V13 HydrophobicContact CE2-CG1 4.2Å; Y6-V13 HydrophobicContact CG-CG1 4.43Å; Y6-F29 HydrophobicContact CD1-CE2 4.3Å; Y6-F29 HydrophobicContact CE1-CD2 4.32Å; Y6-F29 HydrophobicContact CE1-CE2 4.31Å; Y6-E32 HydrophobicContact CE1-CB 3.91Å; Y6-M33 HydrophobicContact CD1-CE 3.78Å; Y6-M33 HydrophobicContact CD1-SD 4.39Å; Y6-M33 HydrophobicContact CG-CE 4.42Å; Y6-M33 WeakPolarHBondContact O-CE 3.48Å; Y6-V36 HydrophobicContact CD1-CG2 4.5Å; Y6-V36 HydrophobicContact CD2-CG2 4.05Å; Y6-V36 HydrophobicContact CG-CG2 4.04Å
7	V	89.5	Confident	86.5	Confident	12 Å²	12	54.5 Å²	54.5	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-88.2	-45.3	178.8	-179.8	0	0	0	0	110.6	K4 D5 V36 L60	K4-V7 PolarHBondContact O-N 3.41Å; D5-V7 VanDerWaalsContact C-N 3.28Å; D5-V7 PolarHBondContact O-N 2.67Å; V7-V36 HydrophobicContact CG2-CG1 4.45Å; V7-L60 HydrophobicContact CG1-CB 4.45Å; V7-L60 HydrophobicContact CG2-CD2 4.46Å; V7-L60 VanDerWaalsContact O-CB 3.24Å; V7-L60 WeakPolarHBondContact O-CB 3.43Å; V7-L60 PolarHBondContact O-N 3.47Å
8	T	90.7	Very high	86.3	Confident	61 Å²	61	54.2 Å²	54.2	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-85.1	-31.4	-170.7	62.2	0	0	0	0	114.1	K4 H59	K4-T8 WeakPolarHBondContact O-CG2 3.44Å; K4-T8 PolarHBondContact O-N 3.47Å; K4-T8 PolarHBondContact O-OG1 3.35Å; T8-H59 VanDerWaalsContact CA-CE1 3.46Å; T8-H59 WeakPolarHBondContact CA-CE1 3.44Å; T8-H59 WeakPolarHBondContact CA-ND1 3.46Å; T8-H59 PolarHBondContact O-ND1 3.31Å
9	S	91.7	Very high	86	Confident	47 Å²	47	52.5 Å²	52.5	33%	0.329	27%	0.267	S	S	.	.			trans	-147.6	56	-177	-53.3	0	0	0	0	111.9	D5 L11 L12 V13	D5-S9 CarbonylContact O-C 3.49Å; D5-S9 WeakPolarHBondContact O-CA 3.38Å; D5-S9 PolarHBondContact O-N 3.04Å; S9-L11 PolarHBondContact O-N 2.93Å; S9-L11 VanDerWaalsContact O-N 3.14Å; S9-L12 PolarHBondContact O-N 2.97Å; S9-L12 VanDerWaalsContact O-N 3.08Å; S9-V13 PolarHBondContact O-N 3.45Å
10	P	93.4	Very high	85.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-52.8	-34.1	-178.9	18.4	-33.2	0	0	0	114.4	Y6 L12 V13 F14 F29 M33 G58 L60 I220	Y6-P10 WeakPolarHBondContact O-CB 3.31Å; P10-L12 PolarHBondContact O-N 2.89Å; P10-V13 WeakPolarHBondContact O-CB 3.35Å; P10-V13 PolarHBondContact O-N 2.94Å; P10-F14 PolarHBondContact O-N 2.9Å; P10-F29 HydrophobicContact CB-CZ 4.26Å; P10-M33 HydrophobicContact CB-CE 4.02Å; P10-G58 VanDerWaalsContact CD-O 3.27Å; P10-G58 WeakPolarHBondContact CD-O 3.5Å; P10-G58 WeakPolarHBondContact CG-O 3.28Å; P10-L60 HydrophobicContact CG-CB 4.26Å; P10-I220 HydrophobicContact CB-CD1 3.8Å; P10-I220 HydrophobicContact CB-CG1 4.13Å; P10-I220 HydrophobicContact CG-CD1 3.81Å; P10-I220 HydrophobicContact CG-CG1 3.75Å; P10-I220 HydrophobicContact CG-CG2 4.24Å
11	L	91.3	Very high	84.3	Confident	33 Å²	33	52 Å²	52	17%	0.173	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-39.5	178.5	-73.5	176.4	0	0	0	113.1	S9 V13 F14 D15 Y94 I220	S9-L11 PolarHBondContact O-N 2.93Å; S9-L11 VanDerWaalsContact O-N 3.14Å; L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 3.45Å; L11-F14 PolarHBondContact O-N 3.46Å; L11-D15 VanDerWaalsContact O-CG 3.3Å; L11-D15 PolarHBondContact O-N 3.31Å; L11-Y94 WeakPolarHBondContact CD2-O 3.07Å; L11-I220 HydrophobicContact CD1-CG2 4.03Å; L11-I220 HydrophobicContact CD2-CD1 3.47Å; L11-I220 VanDerWaalsContact CD2-CD1 3.47Å; L11-I220 HydrophobicContact CG-CD1 3.7Å; L11-I220 HydrophobicContact CG-CG2 3.95Å
12	L	90.1	Very high	84.3	Confident	109 Å²	109	55.4 Å²	55.4	57%	0.571	29%	0.292	S	S	*	.	H	α-helix	trans	-65.6	-37.9	177.4	-66.4	179.2	0	0	0	111	S9 P10 Q16	S9-L12 PolarHBondContact O-N 2.97Å; S9-L12 VanDerWaalsContact O-N 3.08Å; P10-L12 PolarHBondContact O-N 2.89Å; L12-Q16 VanDerWaalsContact O-CG 3.29Å; L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.39Å; L12-Q16 VanDerWaalsContact O-N 3.09Å
13	V	90.9	Very high	83.4	Confident	3 Å²	3	57 Å²	57	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-45.4	174.7	174.8	0	0	0	0	110.7	M1 D5 Y6 S9 P10 L11 Q16 I17 F29	M1-V13 HydrophobicContact CE-CG1 4.11Å; M1-V13 HydrophobicContact SD-CG1 3.67Å; D5-V13 HydrophobicContact CB-CG2 3.69Å; Y6-V13 HydrophobicContact CD1-CG1 3.93Å; Y6-V13 HydrophobicContact CE1-CG1 3.51Å; Y6-V13 HydrophobicContact CE2-CG1 4.2Å; Y6-V13 HydrophobicContact CG-CG1 4.43Å; S9-V13 PolarHBondContact O-N 3.45Å; P10-V13 WeakPolarHBondContact O-CB 3.35Å; P10-V13 PolarHBondContact O-N 2.94Å; L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 3.45Å; V13-Q16 PolarHBondContact O-N 3.22Å; V13-I17 HydrophobicContact CG1-CD1 3.92Å; V13-I17 WeakPolarHBondContact O-CG1 3.32Å; V13-I17 PolarHBondContact O-N 3.21Å; V13-I17 VanDerWaalsContact O-N 3.11Å; V13-F29 HydrophobicContact CB-CE2 4.27Å; V13-F29 HydrophobicContact CG1-CD2 4.18Å; V13-F29 HydrophobicContact CG1-CE2 3.98Å
14	F	91.5	Very high	82.7	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-47.1	176	174.1	-104.7	0	0	0	112.2	P10 L11 Q16 I17 H18 F29 R93 Y94	P10-F14 PolarHBondContact O-N 2.9Å; L11-F14 PolarHBondContact O-N 3.46Å; F14-Q16 VanDerWaalsContact C-N 3.33Å; F14-Q16 PolarHBondContact O-N 3.47Å; F14-I17 PolarHBondContact O-N 3.4Å; F14-H18 HydrophobicContact CE2-CB 4.44Å; F14-H18 HydrophobicContact CZ-CB 4.32Å; F14-H18 WeakPolarHBondContact O-CB 3.39Å; F14-H18 PolarHBondContact O-N 3.12Å; F14-F29 HydrophobicContact CB-CD1 4.44Å; F14-F29 HydrophobicContact CB-CD2 4.2Å; F14-F29 HydrophobicContact CB-CE1 4.21Å; F14-F29 HydrophobicContact CB-CE2 3.95Å; F14-F29 HydrophobicContact CB-CG 4.43Å; F14-F29 HydrophobicContact CB-CZ 3.95Å; F14-F29 HydrophobicContact CD2-CB 4.31Å; F14-F29 AromaticContact CD2-CD1 3.78Å; F14-F29 HydrophobicContact CD2-CD1 3.78Å; F14-F29 HydrophobicContact CD2-CE1 4.2Å; F14-F29 AromaticContact CD2-CG 3.95Å; F14-F29 HydrophobicContact CD2-CG 3.95Å; F14-R93 HydrophobicContact CE1-CB 4.1Å; F14-R93 HydrophobicContact CZ-CB 3.91Å; F14-Y94 HydrophobicContact CD1-CD2 4.32Å; F14-Y94 HydrophobicContact CD2-CD2 4.25Å; F14-Y94 AromaticContact CD2-CE2 3.95Å; F14-Y94 HydrophobicContact CD2-CE2 3.95Å; F14-Y94 HydrophobicContact CE1-CD2 4.34Å; F14-Y94 HydrophobicContact CE2-CD2 4.3Å; F14-Y94 AromaticContact CE2-CE2 3.83Å; F14-Y94 HydrophobicContact CE2-CE2 3.83Å; F14-Y94 HydrophobicContact CG-CD2 4.26Å; F14-Y94 HydrophobicContact CG-CE2 4.42Å; F14-Y94 HydrophobicContact CZ-CD2 4.34Å; F14-Y94 HydrophobicContact CZ-CE2 4.2Å
15	D	89.8	Confident	81.8	Confident	48 Å²	48	55.1 Å²	55.1	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-37.9	179.8	-70.2	-28.8	0	0	0	112.2	L11 G19 R95	L11-D15 VanDerWaalsContact O-CG 3.3Å; L11-D15 PolarHBondContact O-N 3.31Å; D15-G19 WeakPolarHBondContact O-CA 3.47Å; D15-G19 PolarHBondContact O-N 2.77Å; D15-R95 IonicContact OD1-CZ 3.54Å; D15-R95 VanDerWaalsContact OD1-CZ 3.26Å; D15-R95 IonicContact OD1-NH1 3.54Å; D15-R95 PolarHBondContact OD1-NH1 3.46Å; D15-R95 IonicContact OD1-NH2 2.76Å; D15-R95 PolarHBondContact OD1-NH2 2.97Å; D15-R95 IonicContact OD2-CZ 3.86Å; D15-R95 IonicContact OD2-NH1 3.7Å; D15-R95 IonicContact OD2-NH2 2.84Å; D15-R95 PolarHBondContact OD2-NH2 3.3Å
16	Q	87.3	Confident	81.1	Confident	109 Å²	109	60.6 Å²	60.6	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-36.9	175.9	-75	176.3	7.8	0	0	112.8	M1 L12 V13 F14 G20	M1-Q16 HydrophobicContact CE-CB 3.54Å; M1-Q16 HydrophobicContact CE-CG 4.36Å; L12-Q16 VanDerWaalsContact O-CG 3.29Å; L12-Q16 WeakPolarHBondContact O-CG 3.48Å; L12-Q16 PolarHBondContact O-N 3.39Å; L12-Q16 VanDerWaalsContact O-N 3.09Å; V13-Q16 PolarHBondContact O-N 3.22Å; F14-Q16 VanDerWaalsContact C-N 3.33Å; F14-Q16 PolarHBondContact O-N 3.47Å; Q16-G20 WeakPolarHBondContact O-CA 3.44Å; Q16-G20 PolarHBondContact O-N 3.39Å
17	I	86.5	Confident	80.6	Confident	8 Å²	8	63 Å²	63	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-72.4	-47.3	177.4	-69.2	167.6	0	0	0	110.2	M1 V13 F14 N25 I27 F29	M1-I17 HydrophobicContact CE-CG1 4.14Å; V13-I17 HydrophobicContact CG1-CD1 3.92Å; V13-I17 WeakPolarHBondContact O-CG1 3.32Å; V13-I17 PolarHBondContact O-N 3.21Å; V13-I17 VanDerWaalsContact O-N 3.11Å; F14-I17 PolarHBondContact O-N 3.4Å; I17-N25 PolarHBondContact O-OD1 3.3Å; I17-N25 VanDerWaalsContact O-OD1 3.08Å; I17-I27 HydrophobicContact CD1-CG2 3.99Å; I17-I27 HydrophobicContact CG2-CB 4.2Å; I17-I27 WeakPolarHBondContact CG2-O 3.46Å; I17-F29 HydrophobicContact CD1-CB 4.29Å; I17-F29 HydrophobicContact CD1-CD2 3.99Å
18	H	83.8	Confident	80.4	Confident	48 Å²	48	66.8 Å²	66.8	22%	0.222	35%	0.354	C	S	.	.	H	α-helix	trans	-78.1	-34.7	-173	-166.5	72.2	0	0	0	113.8	F14	F14-H18 HydrophobicContact CE2-CB 4.44Å; F14-H18 HydrophobicContact CZ-CB 4.32Å; F14-H18 WeakPolarHBondContact O-CB 3.39Å; F14-H18 PolarHBondContact O-N 3.12Å
19	G	80.7	Confident	80.4	Confident	22 Å²	22	64.4 Å²	64.4	23%	0.227	34%	0.338	C	S	.	.	S	Bend	trans	-91.1	-3.1	177.7	0	0	0	0	0	114.5	D15 T89	D15-G19 WeakPolarHBondContact O-CA 3.47Å; D15-G19 PolarHBondContact O-N 2.77Å; G19-T89 VanDerWaalsContact CA-O 3.24Å; G19-T89 WeakPolarHBondContact CA-O 3.23Å
20	G	72.4	Confident	80.4	Confident	25 Å²	25	63.9 Å²	63.9	26%	0.258	33%	0.331	S	S	.	.	S	Bend	trans	-78.5	-176.6	-172.5	0	0	0	0	0	115.4	Q16	Q16-G20 WeakPolarHBondContact O-CA 3.44Å; Q16-G20 PolarHBondContact O-N 3.39Å
21	S	62.8	Low	80.2	Confident	71 Å²	71	66.6 Å²	66.6	50%	0.497	35%	0.348	S	S	.	.			trans	-64.9	166.7	175.2	59.5	0	0	0	0	112.6	E23 L24 N25	S21-E23 PolarHBondContact O-N 3.18Å; S21-L24 PolarHBondContact O-N 3.1Å; S21-N25 PolarHBondContact O-N 3.26Å
22	E	61.8	Low	80.1	Confident	171 Å²	171	67.7 Å²	67.7	80%	0.799	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-26.3	178.2	-68.7	-172.5	169.5	0	0	114.3
23	E	59.3	Low	80.2	Confident	156 Å²	156	62.5 Å²	62.5	73%	0.729	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-38.6	176.4	-65.5	-168.4	158.1	0	0	113.1	S21 K26	S21-E23 PolarHBondContact O-N 3.18Å; E23-K26 PolarHBondContact O-N 3.27Å
24	L	64.3	Low	80.2	Confident	59 Å²	59	66.5 Å²	66.5	31%	0.309	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-71.8	-33.9	177.7	-77.7	156.1	0	0	0	111.4	S21 K26 I27	S21-L24 PolarHBondContact O-N 3.1Å; L24-K26 PolarHBondContact O-N 2.69Å; L24-I27 HydrophobicContact CD2-CD1 4.22Å; L24-I27 WeakPolarHBondContact O-CB 3.42Å; L24-I27 PolarHBondContact O-N 3.43Å
25	N	64.4	Low	80.2	Confident	91 Å²	91	71 Å²	71	49%	0.487	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-63	-11.9	175.7	-74.8	-26.1	0	0	0	114.3	I17 S21 I27	I17-N25 PolarHBondContact O-OD1 3.3Å; I17-N25 VanDerWaalsContact O-OD1 3.08Å; S21-N25 PolarHBondContact O-N 3.26Å; N25-I27 VanDerWaalsContact C-N 3.32Å
26	K	70.8	Confident	80.2	Confident	178 Å²	178	69.4 Å²	69.4	77%	0.774	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-80	-13.7	173.2	-66.4	178.8	-177.3	172.3	0	113.2	E23 L24	E23-K26 PolarHBondContact O-N 3.27Å; L24-K26 PolarHBondContact O-N 2.69Å
27	I	80	Confident	80.4	Confident	64 Å²	64	64.9 Å²	64.9	33%	0.328	33%	0.334	S	S	.	.	S	Bend	trans	-84.8	119.4	-179	-57.2	176.6	0	0	0	108.5	I17 L24 N25 F29 E32	I17-I27 HydrophobicContact CD1-CG2 3.99Å; I17-I27 HydrophobicContact CG2-CB 4.2Å; I17-I27 WeakPolarHBondContact CG2-O 3.46Å; L24-I27 HydrophobicContact CD2-CD1 4.22Å; L24-I27 WeakPolarHBondContact O-CB 3.42Å; L24-I27 PolarHBondContact O-N 3.43Å; N25-I27 VanDerWaalsContact C-N 3.32Å; I27-F29 PolarHBondContact O-N 2.95Å; I27-E32 HydrophobicContact CG2-CG 3.58Å
28	D	86.2	Confident	80.4	Confident	93 Å²	93	71.7 Å²	71.7	50%	0.497	37%	0.366	S	S	.	.			trans	-80.6	108.9	168.3	-175.2	-26.9	0	0	0	109.2	I30 V31 E32	D28-I30 VanDerWaalsContact C-N 3.25Å; D28-I30 PolarHBondContact O-N 3.25Å; D28-I30 PolarHBondContact OD1-N 3.29Å; D28-V31 HydrophobicContact CB-CB 3.93Å; D28-V31 HydrophobicContact CB-CG2 3.84Å; D28-V31 PolarHBondContact O-N 3.16Å; D28-V31 PolarHBondContact OD1-N 3.42Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.47Å; D28-E32 PolarHBondContact O-N 3.23Å
29	F	90	Very high	80.5	Confident	11 Å²	11	75.4 Å²	75.4	5%	0.048	39%	0.387	C	S	.	.	H	α-helix	trans	-54.6	-38.9	180	173.6	-109.6	0	0	0	113	Y6 P10 V13 F14 I17 I27 M33 Y94 L251	Y6-F29 HydrophobicContact CD1-CE2 4.3Å; Y6-F29 HydrophobicContact CE1-CD2 4.32Å; Y6-F29 HydrophobicContact CE1-CE2 4.31Å; P10-F29 HydrophobicContact CB-CZ 4.26Å; V13-F29 HydrophobicContact CB-CE2 4.27Å; V13-F29 HydrophobicContact CG1-CD2 4.18Å; V13-F29 HydrophobicContact CG1-CE2 3.98Å; F14-F29 HydrophobicContact CB-CD1 4.44Å; F14-F29 HydrophobicContact CB-CD2 4.2Å; F14-F29 HydrophobicContact CB-CE1 4.21Å; F14-F29 HydrophobicContact CB-CE2 3.95Å; F14-F29 HydrophobicContact CB-CG 4.43Å; F14-F29 HydrophobicContact CB-CZ 3.95Å; F14-F29 HydrophobicContact CD2-CB 4.31Å; F14-F29 AromaticContact CD2-CD1 3.78Å; F14-F29 HydrophobicContact CD2-CD1 3.78Å; F14-F29 HydrophobicContact CD2-CE1 4.2Å; F14-F29 AromaticContact CD2-CG 3.95Å; F14-F29 HydrophobicContact CD2-CG 3.95Å; I17-F29 HydrophobicContact CD1-CB 4.29Å; I17-F29 HydrophobicContact CD1-CD2 3.99Å; I27-F29 PolarHBondContact O-N 2.95Å; F29-M33 HydrophobicContact CE2-CE 4.14Å; F29-M33 HydrophobicContact CZ-CE 3.84Å; F29-M33 WeakPolarHBondContact O-CB 3.5Å; F29-M33 PolarHBondContact O-N 3.45Å; F29-Y94 HydrophobicContact CD1-CE2 4.24Å; F29-Y94 HydrophobicContact CE1-CE2 4.1Å; F29-L251 HydrophobicContact CE1-CD1 4.07Å; F29-L251 HydrophobicContact CE1-CD2 3.93Å; F29-L251 HydrophobicContact CZ-CD1 4.25Å
30	I	90.3	Very high	80.7	Confident	35 Å²	35	76.3 Å²	76.3	18%	0.179	39%	0.386	C	S	.	.	H	α-helix	trans	-72.7	-40.2	-178.7	-63.1	-58.9	0	0	0	110.6	D28 E32 M33 Q34 L251 I252	D28-I30 VanDerWaalsContact C-N 3.25Å; D28-I30 PolarHBondContact O-N 3.25Å; D28-I30 PolarHBondContact OD1-N 3.29Å; I30-E32 PolarHBondContact O-N 3Å; I30-M33 WeakPolarHBondContact O-CB 3.09Å; I30-M33 PolarHBondContact O-N 3.47Å; I30-Q34 WeakPolarHBondContact O-CG 3.49Å; I30-Q34 PolarHBondContact O-N 3.42Å; I30-L251 HydrophobicContact CD1-CB 4.07Å; I30-L251 HydrophobicContact CD1-CD2 4.31Å; I30-I252 HydrophobicContact CG2-CG1 4.38Å
31	V	90	Very high	81.4	Confident	58 Å²	58	77.1 Å²	77.1	35%	0.352	39%	0.387	S	S	.	.	H	α-helix	trans	-63	-42	176	172.5	0	0	0	0	111.2	D28 Q34 K35	D28-V31 HydrophobicContact CB-CB 3.93Å; D28-V31 HydrophobicContact CB-CG2 3.84Å; D28-V31 PolarHBondContact O-N 3.16Å; D28-V31 PolarHBondContact OD1-N 3.42Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.47Å; V31-Q34 PolarHBondContact O-N 2.99Å; V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 2.8Å; V31-K35 VanDerWaalsContact O-N 3.15Å
32	E	90.1	Very high	82.5	Confident	56 Å²	56	76.5 Å²	76.5	26%	0.262	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-40.1	174.4	-71.5	-55.4	132.1	0	0	111.9	Y6 I27 D28 I30 Q34 K35 V36	Y6-E32 HydrophobicContact CE1-CB 3.91Å; I27-E32 HydrophobicContact CG2-CG 3.58Å; D28-E32 PolarHBondContact O-N 3.23Å; I30-E32 PolarHBondContact O-N 3Å; E32-Q34 VanDerWaalsContact C-N 3.33Å; E32-Q34 PolarHBondContact O-N 3.41Å; E32-K35 PolarHBondContact O-N 2.99Å; E32-K35 IonicContact OE1-NZ 3.81Å; E32-K35 PolarHBondContact OE1-NZ 3.43Å; E32-V36 WeakPolarHBondContact O-CG2 3.3Å; E32-V36 PolarHBondContact O-N 3.42Å
33	M	90.8	Very high	83.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.4	-43.9	174.6	-171.2	58.6	73.4	0	0	111.8	Y6 P10 F29 I30 K35 V36 L37 L60 L251 I252	Y6-M33 HydrophobicContact CD1-CE 3.78Å; Y6-M33 HydrophobicContact CD1-SD 4.39Å; Y6-M33 HydrophobicContact CG-CE 4.42Å; Y6-M33 WeakPolarHBondContact O-CE 3.48Å; P10-M33 HydrophobicContact CB-CE 4.02Å; F29-M33 HydrophobicContact CE2-CE 4.14Å; F29-M33 HydrophobicContact CZ-CE 3.84Å; F29-M33 WeakPolarHBondContact O-CB 3.5Å; F29-M33 PolarHBondContact O-N 3.45Å; I30-M33 WeakPolarHBondContact O-CB 3.09Å; I30-M33 PolarHBondContact O-N 3.47Å; M33-K35 PolarHBondContact O-N 2.82Å; M33-V36 PolarHBondContact O-N 2.92Å; M33-L37 HydrophobicContact CG-CD1 4.11Å; M33-L37 HydrophobicContact CG-CG 4.47Å; M33-L37 WeakPolarHBondContact O-CB 3.44Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.45Å; M33-L37 PolarHBondContact O-N 2.89Å; M33-L37 HydrophobicContact SD-CG 4.47Å; M33-L60 HydrophobicContact SD-CD1 4.49Å; M33-L60 HydrophobicContact SD-CD2 3.82Å; M33-L251 HydrophobicContact CE-CD1 3.86Å; M33-L251 HydrophobicContact CG-CD1 4.29Å; M33-I252 HydrophobicContact CB-CD1 4.4Å; M33-I252 HydrophobicContact CG-CD1 4Å
34	Q	91.7	Very high	85.3	Confident	87 Å²	87	64.9 Å²	64.9	41%	0.407	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-43.3	175.8	-73.5	174.8	-14.9	0	0	112	I30 V31 E32 V36 L37 Q38 I252	I30-Q34 WeakPolarHBondContact O-CG 3.49Å; I30-Q34 PolarHBondContact O-N 3.42Å; V31-Q34 PolarHBondContact O-N 2.99Å; E32-Q34 VanDerWaalsContact C-N 3.33Å; E32-Q34 PolarHBondContact O-N 3.41Å; Q34-V36 PolarHBondContact O-N 3.04Å; Q34-L37 PolarHBondContact O-N 3.44Å; Q34-Q38 WeakPolarHBondContact O-CG 3.37Å; Q34-Q38 PolarHBondContact O-N 2.87Å; Q34-I252 HydrophobicContact CG-CD1 3.6Å; Q34-I252 HydrophobicContact CG-CG1 4.22Å
35	K	90.8	Very high	86.6	Confident	100 Å²	100	62 Å²	62	44%	0.435	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.3	-68.8	172.6	-171.7	168.6	0	112.6	V31 E32 M33 N39	V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 2.8Å; V31-K35 VanDerWaalsContact O-N 3.15Å; E32-K35 PolarHBondContact O-N 2.99Å; E32-K35 IonicContact OE1-NZ 3.81Å; E32-K35 PolarHBondContact OE1-NZ 3.43Å; M33-K35 PolarHBondContact O-N 2.82Å; K35-N39 PolarHBondContact O-ND2 3.34Å
36	V	89.9	Confident	87.8	Confident	16 Å²	16	58 Å²	58	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-47.4	176.2	171.2	0	0	0	0	110.1	Y6 V7 E32 M33 Q34 Q38 N39 H40	Y6-V36 HydrophobicContact CD1-CG2 4.5Å; Y6-V36 HydrophobicContact CD2-CG2 4.05Å; Y6-V36 HydrophobicContact CG-CG2 4.04Å; V7-V36 HydrophobicContact CG2-CG1 4.45Å; E32-V36 WeakPolarHBondContact O-CG2 3.3Å; E32-V36 PolarHBondContact O-N 3.42Å; M33-V36 PolarHBondContact O-N 2.92Å; Q34-V36 PolarHBondContact O-N 3.04Å; V36-Q38 PolarHBondContact O-N 2.8Å; V36-N39 PolarHBondContact O-N 2.97Å; V36-H40 WeakPolarHBondContact O-CB 3.38Å; V36-H40 PolarHBondContact O-N 3.37Å; V36-H40 PolarHBondContact O-ND1 3.01Å
37	L	90.9	Very high	88.6	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.068	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-33.8	-178	-71.2	175.5	0	0	0	113.6	M33 Q34 N39 H40 S41 V44 L60 Y218 I252	M33-L37 HydrophobicContact CG-CD1 4.11Å; M33-L37 HydrophobicContact CG-CG 4.47Å; M33-L37 WeakPolarHBondContact O-CB 3.44Å; M33-L37 VanDerWaalsContact O-CG 3.32Å; M33-L37 WeakPolarHBondContact O-CG 3.45Å; M33-L37 PolarHBondContact O-N 2.89Å; M33-L37 HydrophobicContact SD-CG 4.47Å; Q34-L37 PolarHBondContact O-N 3.44Å; L37-N39 PolarHBondContact O-N 3.31Å; L37-N39 VanDerWaalsContact O-N 3.15Å; L37-H40 PolarHBondContact O-N 3.43Å; L37-S41 VanDerWaalsContact O-CB 3.26Å; L37-S41 WeakPolarHBondContact O-CB 3.47Å; L37-S41 PolarHBondContact O-N 3.47Å; L37-V44 HydrophobicContact CD2-CG2 3.7Å; L37-L60 HydrophobicContact CD2-CD2 4.05Å; L37-Y218 HydrophobicContact CD1-CD1 3.81Å; L37-Y218 HydrophobicContact CD1-CD2 3.98Å; L37-Y218 HydrophobicContact CD1-CE1 4.33Å; L37-Y218 HydrophobicContact CD1-CE2 4.49Å; L37-Y218 HydrophobicContact CD1-CG 3.61Å; L37-Y218 HydrophobicContact CD2-CD1 3.6Å; L37-Y218 HydrophobicContact CD2-CE1 3.72Å; L37-Y218 HydrophobicContact CD2-CG 4.28Å; L37-Y218 HydrophobicContact CG-CD1 4.37Å; L37-I252 HydrophobicContact CD1-CD1 3.47Å; L37-I252 VanDerWaalsContact CD1-CD1 3.47Å
38	Q	87.5	Confident	88.8	Confident	152 Å²	152	49.9 Å²	49.9	71%	0.71	27%	0.266	S	S	*	.	H	α-helix	trans	-54.3	-33.9	175.2	-78.9	173.8	4.1	0	0	113.1	Q34 V36	Q34-Q38 WeakPolarHBondContact O-CG 3.37Å; Q34-Q38 PolarHBondContact O-N 2.87Å; V36-Q38 PolarHBondContact O-N 2.8Å
39	N	85	Confident	88.6	Confident	125 Å²	125	48.6 Å²	48.6	67%	0.668	26%	0.259	S	S	*	.	H	α-helix	trans	-103.8	-17.1	-177.6	-64.4	-58.2	0	0	0	113.8	K35 V36 L37	K35-N39 PolarHBondContact O-ND2 3.34Å; V36-N39 PolarHBondContact O-N 2.97Å; L37-N39 PolarHBondContact O-N 3.31Å; L37-N39 VanDerWaalsContact O-N 3.15Å
40	H	86.3	Confident	88	Confident	42 Å²	42	48.8 Å²	48.8	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-135	14.1	-167.1	-62.7	108.7	0	0	0	114.7	Y3 V36 L37 S42 K43	Y3-H40 AromaticContact CD2-ND1 3.98Å; Y3-H40 AromaticContact CG-CE1 3.91Å; V36-H40 WeakPolarHBondContact O-CB 3.38Å; V36-H40 PolarHBondContact O-N 3.37Å; V36-H40 PolarHBondContact O-ND1 3.01Å; L37-H40 PolarHBondContact O-N 3.43Å; H40-S42 PolarHBondContact O-N 3.49Å; H40-S42 VanDerWaalsContact O-N 3.16Å; H40-K43 HydrophobicContact CB-CD 4.36Å; H40-K43 PolarHBondContact CD2-NZ 3.32Å; H40-K43 PolarHBondContact NE2-NZ 2.99Å; H40-K43 WeakPolarHBondContact O-CB 3.44Å; H40-K43 PolarHBondContact O-N 3.38Å
41	S	87.1	Confident	87.5	Confident	42 Å²	42	49.7 Å²	49.7	29%	0.294	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-53.1	-36.2	179.1	58.4	0	0	0	0	113.6	L37 K43 V44	L37-S41 VanDerWaalsContact O-CB 3.26Å; L37-S41 WeakPolarHBondContact O-CB 3.47Å; L37-S41 PolarHBondContact O-N 3.47Å; S41-K43 PolarHBondContact O-N 3.46Å; S41-V44 PolarHBondContact O-N 3.28Å
42	S	86.1	Confident	87.2	Confident	57 Å²	57	48.5 Å²	48.5	40%	0.399	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-70	-13.1	178.1	59.6	0	0	0	0	114.6	H40 G140	H40-S42 PolarHBondContact O-N 3.49Å; H40-S42 VanDerWaalsContact O-N 3.16Å; S42-G140 PolarHBondContact O-N 2.98Å; S42-G140 VanDerWaalsContact O-N 3.12Å
43	K	87	Confident	86.8	Confident	83 Å²	83	54 Å²	54	36%	0.361	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-92.1	-2.1	174.4	-60.7	-176.1	-179.6	169.9	0	112.7	Y3 H40 S41 Y141	Y3-K43 HydrophobicContact CE2-CD 4.2Å; Y3-K43 PolarHBondContact OH-NZ 3.43Å; Y3-K43 VanDerWaalsContact OH-NZ 3.13Å; H40-K43 HydrophobicContact CB-CD 4.36Å; H40-K43 PolarHBondContact CD2-NZ 3.32Å; H40-K43 PolarHBondContact NE2-NZ 2.99Å; H40-K43 WeakPolarHBondContact O-CB 3.44Å; H40-K43 PolarHBondContact O-N 3.38Å; S41-K43 PolarHBondContact O-N 3.46Å; K43-Y141 VanDerWaalsContact O-CD2 3.3Å; K43-Y141 WeakPolarHBondContact O-CD2 3.42Å
44	V	91.5	Very high	86.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-89.4	127.6	176.9	-176.6	0	0	0	0	108.4	L37 S41 L46 L60 R62 N139 Y218	L37-V44 HydrophobicContact CD2-CG2 3.7Å; S41-V44 PolarHBondContact O-N 3.28Å; V44-L46 PolarHBondContact O-N 3.07Å; V44-L60 HydrophobicContact CG1-CD2 4.31Å; V44-L60 HydrophobicContact CG1-CG 4.09Å; V44-L60 HydrophobicContact CG2-CD2 4Å; V44-R62 HydrophobicContact CG1-CB 4.02Å; V44-N139 PolarHBondContact O-OD1 3.22Å; V44-Y218 HydrophobicContact CB-CE1 4.42Å; V44-Y218 HydrophobicContact CG1-CD1 4.28Å; V44-Y218 HydrophobicContact CG1-CE1 4.47Å; V44-Y218 HydrophobicContact CG2-CE1 4.43Å
45	P	91.8	Very high	86.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-60.9	129.8	178.5	22.6	-30.5	0	0	0	111.3	A50 I55 L60 V61 R62 Y141	P45-A50 HydrophobicContact CB-CB 4.42Å; P45-I55 HydrophobicContact CB-CD1 3.99Å; P45-I55 HydrophobicContact CB-CG1 4.26Å; P45-I55 HydrophobicContact CG-CD1 4.4Å; P45-I55 HydrophobicContact CG-CG2 4.23Å; P45-L60 VanDerWaalsContact CD-O 3.29Å; P45-L60 WeakPolarHBondContact CD-O 3.05Å; P45-L60 WeakPolarHBondContact CG-O 3.38Å; P45-V61 HydrophobicContact CG-CG1 4.15Å; P45-R62 PolarHBondContact O-N 2.95Å; P45-Y141 HydrophobicContact CB-CD1 3.78Å; P45-Y141 HydrophobicContact CB-CD2 3.92Å; P45-Y141 HydrophobicContact CB-CE1 3.77Å; P45-Y141 HydrophobicContact CB-CE2 3.91Å; P45-Y141 HydrophobicContact CB-CG 3.82Å; P45-Y141 HydrophobicContact CG-CD2 4.15Å; P45-Y141 HydrophobicContact CG-CE1 4.38Å; P45-Y141 HydrophobicContact CG-CE2 3.81Å
46	L	90.2	Very high	86.2	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-82.8	116.2	173.1	-177.3	48.6	0	0	0	110.1	V44 I49 A50 R62 V64 R135	V44-L46 PolarHBondContact O-N 3.07Å; L46-I49 HydrophobicContact CB-CB 4.46Å; L46-I49 HydrophobicContact CB-CD1 4.23Å; L46-I49 HydrophobicContact CD2-CD1 3.35Å; L46-I49 HydrophobicContact CD2-CG1 4.25Å; L46-I49 HydrophobicContact CG-CD1 3.74Å; L46-I49 HydrophobicContact CG-CG1 4.12Å; L46-I49 PolarHBondContact O-N 3.49Å; L46-I49 VanDerWaalsContact O-N 3.16Å; L46-A50 PolarHBondContact O-N 2.89Å; L46-R62 CarbonylContact C-O 3.49Å; L46-R62 WeakPolarHBondContact CA-O 3.49Å; L46-R62 HydrophobicContact CD1-CB 4.28Å; L46-R62 HydrophobicContact CD1-CG 4.12Å; L46-R62 VanDerWaalsContact CD1-O 3.24Å; L46-R62 WeakPolarHBondContact CD1-O 3.49Å; L46-V64 HydrophobicContact CD1-CG2 4.24Å; L46-R135 HydrophobicContact CD2-CB 4.07Å
47	F	87.9	Confident	86.2	Confident	25 Å²	25	53.9 Å²	53.9	11%	0.11	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-57.5	135.3	177.4	-174.3	-89.1	0	0	0	111	I49 L52 R62 V63 I195 A197 L221 P246	F47-I49 VanDerWaalsContact C-N 3.26Å; F47-I49 PolarHBondContact O-N 3.18Å; F47-L52 HydrophobicContact CD2-CD1 4.49Å; F47-L52 HydrophobicContact CE2-CD1 3.93Å; F47-R62 WeakPolarHBondContact CB-O 3.37Å; F47-R62 PolarHBondContact N-O 3.35Å; F47-V63 HydrophobicContact CB-CB 4.37Å; F47-V63 HydrophobicContact CB-CG1 4.5Å; F47-V63 HydrophobicContact CB-CG2 3.76Å; F47-V63 HydrophobicContact CD1-CG1 4.38Å; F47-V63 HydrophobicContact CG-CG2 4.14Å; F47-I195 WeakPolarHBondContact CE1-O 3.39Å; F47-A197 HydrophobicContact CE1-CB 4.15Å; F47-A197 HydrophobicContact CE2-CB 4.47Å; F47-A197 HydrophobicContact CZ-CB 3.88Å; F47-L221 HydrophobicContact CE2-CD1 4.3Å; F47-P246 HydrophobicContact CE2-CB 4.37Å; F47-P246 HydrophobicContact CE2-CG 4.03Å; F47-P246 HydrophobicContact CZ-CG 3.76Å
48	G	82.7	Confident	86.2	Confident	47 Å²	47	53.9 Å²	53.9	49%	0.485	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-11.6	-176.4	0	0	0	0	0	115.1
49	I	82	Confident	86.5	Confident	66 Å²	66	47 Å²	47	34%	0.338	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-52.5	170.3	-62.3	-176.8	0	0	0	110.5	L46 F47 R135 V136	L46-I49 HydrophobicContact CB-CB 4.46Å; L46-I49 HydrophobicContact CB-CD1 4.23Å; L46-I49 HydrophobicContact CD2-CD1 3.35Å; L46-I49 HydrophobicContact CD2-CG1 4.25Å; L46-I49 HydrophobicContact CG-CD1 3.74Å; L46-I49 HydrophobicContact CG-CG1 4.12Å; L46-I49 PolarHBondContact O-N 3.49Å; L46-I49 VanDerWaalsContact O-N 3.16Å; F47-I49 VanDerWaalsContact C-N 3.26Å; F47-I49 PolarHBondContact O-N 3.18Å; I49-R135 HydrophobicContact CD1-CB 4.16Å; I49-V136 HydrophobicContact CD1-CG2 3.83Å; I49-V136 HydrophobicContact CG1-CG2 4.37Å; I49-V136 HydrophobicContact CG2-CG2 3.83Å
50	A	77.8	Confident	87	Confident	15 Å²	15	41 Å²	41	12%	0.124	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-72.8	137.6	169.4	0	0	0	0	0	109	P45 L46 L52 I55	P45-A50 HydrophobicContact CB-CB 4.42Å; L46-A50 PolarHBondContact O-N 2.89Å; A50-L52 PolarHBondContact O-N 3Å; A50-I55 HydrophobicContact CB-CD1 4Å; A50-I55 HydrophobicContact CB-CG1 4.21Å
51	S	81.1	Confident	87.4	Confident	54 Å²	54	39 Å²	39	38%	0.378	23%	0.226	S	C	.	.			trans	-58.6	129.8	173.9	178.3	0	0	0	0	108.7	E53 Q54	S51-E53 PolarHBondContact O-N 3.38Å; S51-Q54 WeakPolarHBondContact O-CB 3.47Å; S51-Q54 PolarHBondContact O-N 2.77Å
52	L	82.7	Confident	87.8	Confident	34 Å²	34	39.1 Å²	39.1	18%	0.178	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-54.1	-39.4	-178.7	-177.4	60.1	0	0	0	111.2	F47 A50 Q54 I55 L221 H223 P246	F47-L52 HydrophobicContact CD2-CD1 4.49Å; F47-L52 HydrophobicContact CE2-CD1 3.93Å; A50-L52 PolarHBondContact O-N 3Å; L52-Q54 PolarHBondContact O-N 2.88Å; L52-Q54 VanDerWaalsContact O-N 3.15Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-I55 VanDerWaalsContact O-N 3.08Å; L52-L221 HydrophobicContact CD1-CD1 4Å; L52-L221 HydrophobicContact CD1-CD2 3.73Å; L52-L221 HydrophobicContact CD1-CG 4.48Å; L52-H223 PolarHBondContact O-CE1 2.99Å; L52-H223 VanDerWaalsContact O-CE1 3.28Å; L52-P246 HydrophobicContact CD2-CB 4.11Å; L52-P246 HydrophobicContact CD2-CG 4.06Å
53	E	81.5	Confident	88.1	Confident	170 Å²	170	36.8 Å²	36.8	79%	0.794	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-61.5	-20.8	177.3	-59.4	177.5	174.9	0	0	114.2	S51	S51-E53 PolarHBondContact O-N 3.38Å
54	Q	84	Confident	88.5	Confident	69 Å²	69	33.7 Å²	33.7	32%	0.322	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-89.3	-11	179.3	-65.3	177.7	-3.2	0	0	113.1	S51 L52 S143 I145	S51-Q54 WeakPolarHBondContact O-CB 3.47Å; S51-Q54 PolarHBondContact O-N 2.77Å; L52-Q54 PolarHBondContact O-N 2.88Å; L52-Q54 VanDerWaalsContact O-N 3.15Å; Q54-S143 PolarHBondContact OE1-OG 3.28Å; Q54-I145 WeakPolarHBondContact O-CD1 3.38Å
55	I	87.3	Confident	88.7	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	19%	0.191	C	C	.	.	S	Bend	trans	-99.2	119.1	179.9	-51.8	173.6	0	0	0	107.9	P45 A50 L52 H59 V61 L221 H223	P45-I55 HydrophobicContact CB-CD1 3.99Å; P45-I55 HydrophobicContact CB-CG1 4.26Å; P45-I55 HydrophobicContact CG-CD1 4.4Å; P45-I55 HydrophobicContact CG-CG2 4.23Å; A50-I55 HydrophobicContact CB-CD1 4Å; A50-I55 HydrophobicContact CB-CG1 4.21Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-I55 VanDerWaalsContact O-N 3.08Å; I55-H59 HydrophobicContact CG2-CB 3.86Å; I55-V61 HydrophobicContact CD1-CG1 4.14Å; I55-V61 HydrophobicContact CG2-CG1 3.82Å; I55-L221 HydrophobicContact CB-CD2 3.93Å; I55-L221 HydrophobicContact CG2-CD2 3.65Å; I55-H223 PolarHBondContact O-NE2 3.45Å
56	P	89.5	Confident	88.9	Confident	46 Å²	46	33.8 Å²	33.8	30%	0.299	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-60.3	155.9	177.1	-23.5	33.9	0	0	0	113.3	H59 P144 I145	P56-H59 VanDerWaalsContact O-CB 3.23Å; P56-H59 WeakPolarHBondContact O-CB 3.3Å; P56-H59 PolarHBondContact O-N 3.39Å; P56-P144 HydrophobicContact CG-CG 4.41Å; P56-I145 HydrophobicContact CG-CD1 4.4Å
57	D	90	Very high	89.2	Confident	85 Å²	85	33.5 Å²	33.5	46%	0.455	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	142.9	168.1	-164.2	58.7	0	0	0	111.1	H59 E222 H223	D57-H59 PolarHBondContact O-N 3.07Å; D57-E222 WeakPolarHBondContact OD1-CA 3.23Å; D57-H223 IonicContact OD1-CD2 3.63Å; D57-H223 PolarHBondContact OD1-N 3.05Å
58	G	91.4	Very high	89.5	Confident	13 Å²	13	32.4 Å²	32.4	13%	0.134	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	5.8	-177	0	0	0	0	0	114.9	P10 L221	P10-G58 VanDerWaalsContact CD-O 3.27Å; P10-G58 WeakPolarHBondContact CD-O 3.5Å; P10-G58 WeakPolarHBondContact CG-O 3.28Å; G58-L221 WeakPolarHBondContact CA-O 3.46Å; G58-L221 PolarHBondContact N-O 3.49Å
59	H	93.4	Very high	90	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.032	16%	0.163	C	C	.	.			trans	-79.1	149.4	178.9	-145.6	87.3	0	0	0	111.6	T8 I55 P56 D57 L221	T8-H59 VanDerWaalsContact CA-CE1 3.46Å; T8-H59 WeakPolarHBondContact CA-CE1 3.44Å; T8-H59 WeakPolarHBondContact CA-ND1 3.46Å; T8-H59 PolarHBondContact O-ND1 3.31Å; I55-H59 HydrophobicContact CG2-CB 3.86Å; P56-H59 VanDerWaalsContact O-CB 3.23Å; P56-H59 WeakPolarHBondContact O-CB 3.3Å; P56-H59 PolarHBondContact O-N 3.39Å; D57-H59 PolarHBondContact O-N 3.07Å; H59-L221 PolarHBondContact O-N 3.33Å
60	L	95.5	Very high	90.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.1	171.7	-169.5	70.3	0	0	0	109.8	V7 P10 M33 L37 V44 P45 L251	V7-L60 HydrophobicContact CG1-CB 4.45Å; V7-L60 HydrophobicContact CG2-CD2 4.46Å; V7-L60 VanDerWaalsContact O-CB 3.24Å; V7-L60 WeakPolarHBondContact O-CB 3.43Å; V7-L60 PolarHBondContact O-N 3.47Å; P10-L60 HydrophobicContact CG-CB 4.26Å; M33-L60 HydrophobicContact SD-CD1 4.49Å; M33-L60 HydrophobicContact SD-CD2 3.82Å; L37-L60 HydrophobicContact CD2-CD2 4.05Å; V44-L60 HydrophobicContact CG1-CD2 4.31Å; V44-L60 HydrophobicContact CG1-CG 4.09Å; V44-L60 HydrophobicContact CG2-CD2 4Å; P45-L60 VanDerWaalsContact CD-O 3.29Å; P45-L60 WeakPolarHBondContact CD-O 3.05Å; P45-L60 WeakPolarHBondContact CG-O 3.38Å; L60-L251 HydrophobicContact CD1-CD1 3.81Å
61	V	95.1	Very high	91	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.1	175.6	-66.3	0	0	0	0	110.7	P45 I55 V63 Y218 G219 L221 V248	P45-V61 HydrophobicContact CG-CG1 4.15Å; I55-V61 HydrophobicContact CD1-CG1 4.14Å; I55-V61 HydrophobicContact CG2-CG1 3.82Å; V61-V63 HydrophobicContact CG2-CG2 4.2Å; V61-Y218 WeakPolarHBondContact O-CA 3.19Å; V61-G219 WeakPolarHBondContact CG2-O 3.33Å; V61-G219 PolarHBondContact N-O 3.36Å; V61-G219 PolarHBondContact O-N 3.22Å; V61-L221 HydrophobicContact CG1-CB 3.79Å; V61-L221 HydrophobicContact CG1-CD2 4.16Å; V61-L221 HydrophobicContact CG1-CG 4.48Å; V61-L221 HydrophobicContact CG2-CB 3.99Å; V61-V248 HydrophobicContact CG2-CG1 4.01Å; V61-V248 HydrophobicContact CG2-CG2 4.11Å
62	R	94.5	Very high	91.4	Very high	44 Å²	44	33.3 Å²	33.3	17%	0.166	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.9	167.4	-176.3	-176.4	178.7	-162	-1.9	107.5	V44 P45 L46 F47 E216 V217 Y218	V44-R62 HydrophobicContact CG1-CB 4.02Å; P45-R62 PolarHBondContact O-N 2.95Å; L46-R62 CarbonylContact C-O 3.49Å; L46-R62 WeakPolarHBondContact CA-O 3.49Å; L46-R62 HydrophobicContact CD1-CB 4.28Å; L46-R62 HydrophobicContact CD1-CG 4.12Å; L46-R62 VanDerWaalsContact CD1-O 3.24Å; L46-R62 WeakPolarHBondContact CD1-O 3.49Å; F47-R62 WeakPolarHBondContact CB-O 3.37Å; F47-R62 PolarHBondContact N-O 3.35Å; R62-E216 HydrophobicContact CG-CG 4.48Å; R62-E216 IonicContact CZ-OE1 3.07Å; R62-E216 IonicContact NE-OE1 3.22Å; R62-E216 PolarHBondContact NE-OE1 3.48Å; R62-E216 IonicContact NH2-OE1 2.98Å; R62-E216 PolarHBondContact NH2-OE1 3.21Å; R62-V217 CarbonylContact C-O 3.56Å; R62-V217 WeakPolarHBondContact CA-O 3.4Å; R62-Y218 HydrophobicContact CB-CD1 4.09Å; R62-Y218 HydrophobicContact CB-CE1 3.82Å; R62-Y218 HydrophobicContact CG-CD1 4.27Å; R62-Y218 HydrophobicContact CG-CE1 3.73Å; R62-Y218 PolarHBondContact NE-OH 3.01Å
63	V	94.2	Very high	91.8	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.1	177.4	-174.6	0	0	0	0	107.6	F47 V61 I121 E216 V217 V248	F47-V63 HydrophobicContact CB-CB 4.37Å; F47-V63 HydrophobicContact CB-CG1 4.5Å; F47-V63 HydrophobicContact CB-CG2 3.76Å; F47-V63 HydrophobicContact CD1-CG1 4.38Å; F47-V63 HydrophobicContact CG-CG2 4.14Å; V61-V63 HydrophobicContact CG2-CG2 4.2Å; V63-I121 HydrophobicContact CG1-CG2 4.25Å; V63-E216 CarbonylContact O-C 3.42Å; V63-E216 VanDerWaalsContact O-CA 3.29Å; V63-E216 WeakPolarHBondContact O-CA 3.42Å; V63-V217 HydrophobicContact CB-CB 4.36Å; V63-V217 PolarHBondContact N-O 2.86Å; V63-V217 PolarHBondContact O-N 3.4Å; V63-V248 HydrophobicContact CG2-CG1 4.11Å; V63-V248 HydrophobicContact CG2-CG2 4.14Å
64	V	94.2	Very high	92.3	Very high	18 Å²	18	29.2 Å²	29.2	11%	0.109	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.5	166.7	-179.7	0	0	0	0	106.8	L46 I214 V215 E216 L256	L46-V64 HydrophobicContact CD1-CG2 4.24Å; V64-I214 HydrophobicContact CG1-CG2 4.47Å; V64-V215 WeakPolarHBondContact CA-O 3.46Å; V64-E216 HydrophobicContact CG2-CB 4.29Å; V64-E216 HydrophobicContact CG2-CG 4.22Å; V64-L256 HydrophobicContact CG1-CD1 4.3Å
65	G	95.1	Very high	92.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	171.3	-171.2	0	0	0	0	0	112.7	V122 I214 V215	G65-V122 CarbonylContact C-O 3.58Å; G65-V122 WeakPolarHBondContact CA-O 3.28Å; G65-I214 WeakPolarHBondContact O-CA 3.48Å; G65-V215 PolarHBondContact N-O 3.04Å; G65-V215 PolarHBondContact O-N 3.37Å
66	M	96.6	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.4	177.3	-172.3	-173.7	77.1	0	0	110	Q68 I121 V122 P125 P184 N212 D213 Q404 P406	M66-Q68 PolarHBondContact O-N 2.8Å; M66-I121 WeakPolarHBondContact O-CA 3.37Å; M66-V122 HydrophobicContact CB-CG2 4.25Å; M66-V122 HydrophobicContact CE-CG2 4.11Å; M66-V122 PolarHBondContact N-O 3Å; M66-V122 PolarHBondContact O-N 3.22Å; M66-P125 HydrophobicContact CE-CG 3.56Å; M66-P125 HydrophobicContact SD-CG 3.95Å; M66-P184 HydrophobicContact CE-CG 4.24Å; M66-N212 HydrophobicContact SD-CB 4.35Å; M66-D213 CarbonylContact C-O 3.55Å; M66-D213 WeakPolarHBondContact CA-O 3.36Å; M66-Q404 HydrophobicContact CE-CG 4.37Å; M66-P406 HydrophobicContact SD-CB 3.99Å; M66-P406 HydrophobicContact SD-CG 4.35Å
67	V	96	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	109.4	169.6	-179.3	0	0	0	0	108.9	M70 F119 I121 L209 K210 N212 D213 V215	V67-M70 HydrophobicContact CG1-CG 4.08Å; V67-F119 HydrophobicContact CG1-CB 4.5Å; V67-F119 HydrophobicContact CG1-CD1 3.85Å; V67-I121 HydrophobicContact CB-CD1 4.08Å; V67-I121 HydrophobicContact CG2-CD1 3.49Å; V67-I121 VanDerWaalsContact CG2-CD1 3.49Å; V67-L209 HydrophobicContact CG2-CB 4.41Å; V67-L209 HydrophobicContact CG2-CD1 4.29Å; V67-K210 WeakPolarHBondContact CB-O 3.41Å; V67-N212 WeakPolarHBondContact O-CA 3.22Å; V67-N212 PolarHBondContact O-N 3.47Å; V67-D213 HydrophobicContact CG2-CB 4.44Å; V67-D213 PolarHBondContact N-O 2.91Å; V67-V215 HydrophobicContact CG2-CG1 4.24Å; V67-V215 HydrophobicContact CG2-CG2 4.34Å
68	Q	94.4	Very high	93.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-37.8	178.7	-172	179.6	-79.9	0	0	112.4	M66 Y120 V122 H182 P400 Q404	M66-Q68 PolarHBondContact O-N 2.8Å; Q68-Y120 HydrophobicContact CB-CD1 4.09Å; Q68-Y120 PolarHBondContact N-O 2.57Å; Q68-V122 HydrophobicContact CB-CG1 3.99Å; Q68-V122 HydrophobicContact CB-CG2 4.04Å; Q68-H182 PolarHBondContact NE2-O 3.09Å; Q68-H182 PolarHBondContact OE1-O 3.03Å; Q68-P400 HydrophobicContact CG-CB 4.37Å; Q68-Q404 PolarHBondContact O-NE2 3.42Å
69	D	93.1	Very high	93	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.4	-179.1	-160.1	-0.5	0	0	0	110.9	F71 F119 Y120 R391 H397 L398	D69-F71 HydrophobicContact CB-CZ 4.36Å; D69-F119 CarbonylContact O-C 3.48Å; D69-F119 WeakPolarHBondContact O-CA 3.36Å; D69-Y120 PolarHBondContact N-O 3Å; D69-Y120 PolarHBondContact O-N 3.01Å; D69-R391 VanDerWaalsContact CG-NH1 3.34Å; D69-R391 IonicContact OD1-CZ 2.81Å; D69-R391 IonicContact OD1-NH1 2.82Å; D69-R391 PolarHBondContact OD1-NH1 2.93Å; D69-R391 IonicContact OD2-CZ 3.5Å; D69-R391 IonicContact OD2-NH1 3.34Å; D69-R391 PolarHBondContact OD2-NH1 2.69Å; D69-H397 WeakPolarHBondContact OD2-CA 3.38Å; D69-L398 HydrophobicContact CB-CB 4.24Å; D69-L398 WeakPolarHBondContact OD2-CB 3.34Å; D69-L398 PolarHBondContact OD2-N 3.29Å
70	M	91.5	Very high	92.9	Very high	53 Å²	53	29 Å²	29	26%	0.261	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.3	178.7	-63.5	-179.4	52.6	0	0	108.9	V67 F119 L209 I211	V67-M70 HydrophobicContact CG1-CG 4.08Å; M70-F119 HydrophobicContact CB-CD1 4.34Å; M70-F119 HydrophobicContact CB-CE1 4.38Å; M70-F119 HydrophobicContact CE-CE1 3.66Å; M70-F119 HydrophobicContact CE-CZ 4.33Å; M70-F119 HydrophobicContact CG-CD1 3.66Å; M70-F119 HydrophobicContact CG-CE1 3.72Å; M70-F119 HydrophobicContact SD-CE1 4.08Å; M70-L209 WeakPolarHBondContact CE-O 3.48Å; M70-I211 HydrophobicContact CG-CG1 3.89Å; M70-I211 HydrophobicContact SD-CD1 4.47Å; M70-I211 HydrophobicContact SD-CG1 3.78Å
71	F	90.9	Very high	92.5	Very high	25 Å²	25	32.4 Å²	32.4	11%	0.11	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	170.5	177.2	-55.9	-76.7	0	0	0	111.1	D69 Q117 S118 L198	D69-F71 HydrophobicContact CB-CZ 4.36Å; F71-Q117 VanDerWaalsContact O-CG 3.31Å; F71-Q117 WeakPolarHBondContact O-CG 3.48Å; F71-Q117 PolarHBondContact O-NE2 3.13Å; F71-S118 WeakPolarHBondContact CB-O 3.44Å; F71-S118 WeakPolarHBondContact CD2-O 3.2Å; F71-S118 PolarHBondContact N-O 2.99Å; F71-L198 HydrophobicContact CD2-CD1 3.98Å; F71-L198 HydrophobicContact CE2-CD1 3.71Å
72	N	88.7	Confident	92.1	Very high	119 Å²	119	33.9 Å²	33.9	64%	0.636	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	157.1	177.3	-66	-9.5	0	0	0	110.9
73	A	91.3	Very high	91.6	Very high	57 Å²	57	33.9 Å²	33.9	47%	0.471	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	149	169.6	0	0	0	0	0	111.1	R116	A73-R116 CarbonylContact C-O 3.57Å; A73-R116 WeakPolarHBondContact CA-O 3.49Å
74	E	90.8	Very high	90.9	Very high	61 Å²	61	38 Å²	38	29%	0.285	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.1	179.4	-67.5	165	-158.2	0	0	109.2	E115 R116 R200	E74-E115 WeakPolarHBondContact O-CA 3.44Å; E74-R116 HydrophobicContact CB-CG 4.37Å; E74-R116 PolarHBondContact N-O 3.23Å; E74-R116 PolarHBondContact O-N 3.36Å; E74-R116 IonicContact OE2-NE 2.7Å; E74-R116 IonicContact OE2-NH2 3.16Å; E74-R200 IonicContact OE1-NH1 2.73Å; E74-R200 PolarHBondContact OE1-NH1 2.67Å; E74-R200 IonicContact OE2-CZ 3.62Å; E74-R200 IonicContact OE2-NH1 3.91Å; E74-R200 PolarHBondContact OE2-NH1 3.05Å
75	L	92.3	Very high	90.3	Very high	118 Å²	118	44.7 Å²	44.7	62%	0.618	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	140	174	-68.7	169.5	0	0	0	110.6	F113 S114 E115	L75-F113 HydrophobicContact CD2-CB 4.39Å; L75-S114 CarbonylContact C-O 3.54Å; L75-S114 WeakPolarHBondContact CA-O 3.25Å; L75-E115 HydrophobicContact CD2-CG 3.65Å
76	F	91.9	Very high	89.6	Confident	11 Å²	11	46.1 Å²	46.1	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.2	171.4	75.7	-81.4	0	0	0	110.9	D78 L92 R93 F113 S114 R116 Y202	F76-D78 HydrophobicContact CE2-CB 3.87Å; F76-D78 WeakPolarHBondContact CE2-OD1 3.49Å; F76-D78 HydrophobicContact CZ-CB 4.17Å; F76-D78 PolarHBondContact O-N 3.41Å; F76-L92 HydrophobicContact CD2-CB 4.45Å; F76-R93 HydrophobicContact CE2-CB 3.85Å; F76-R93 HydrophobicContact CE2-CG 4.1Å; F76-R93 HydrophobicContact CZ-CB 4.45Å; F76-R93 HydrophobicContact CZ-CG 4.19Å; F76-F113 VanDerWaalsContact O-CA 3.28Å; F76-F113 WeakPolarHBondContact O-CA 3.37Å; F76-S114 VanDerWaalsContact CD1-O 3.27Å; F76-S114 WeakPolarHBondContact CD1-O 3.4Å; F76-S114 PolarHBondContact N-O 3.35Å; F76-S114 PolarHBondContact O-N 3.36Å; F76-R116 HydrophobicContact CD1-CB 4.01Å; F76-R116 HydrophobicContact CD1-CG 3.95Å; F76-R116 HydrophobicContact CE1-CB 4.15Å; F76-Y202 HydrophobicContact CD1-CD1 4.3Å; F76-Y202 HydrophobicContact CD1-CE1 4.24Å; F76-Y202 HydrophobicContact CD2-CE1 4.44Å; F76-Y202 AromaticContact CE1-CD1 3.55Å; F76-Y202 HydrophobicContact CE1-CD1 3.55Å; F76-Y202 AromaticContact CE1-CE1 3.9Å; F76-Y202 HydrophobicContact CE1-CE1 3.9Å; F76-Y202 HydrophobicContact CE2-CD1 4.2Å; F76-Y202 HydrophobicContact CE2-CE1 4.11Å; F76-Y202 AromaticContact CZ-CD1 3.51Å; F76-Y202 HydrophobicContact CZ-CD1 3.51Å; F76-Y202 AromaticContact CZ-CE1 3.84Å; F76-Y202 HydrophobicContact CZ-CE1 3.84Å
77	M	92.4	Very high	88.8	Confident	34 Å²	34	51.3 Å²	51.3	17%	0.167	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	101	178.6	-61.7	169.8	62.4	0	0	110.4	F80 L92 P108 V111 F113	M77-F80 HydrophobicContact CB-CD1 3.98Å; M77-F80 HydrophobicContact CB-CE1 4.37Å; M77-F80 HydrophobicContact CE-CB 3.69Å; M77-F80 HydrophobicContact CE-CD1 3.71Å; M77-F80 HydrophobicContact CE-CD2 3.82Å; M77-F80 HydrophobicContact CE-CE1 4.26Å; M77-F80 HydrophobicContact CE-CE2 4.34Å; M77-F80 HydrophobicContact CE-CG 3.46Å; M77-F80 VanDerWaalsContact CE-CG 3.46Å; M77-L92 HydrophobicContact CB-CD1 4.07Å; M77-L92 HydrophobicContact CB-CG 4.26Å; M77-L92 HydrophobicContact CG-CD1 4.41Å; M77-L92 PolarHBondContact O-N 3.16Å; M77-L92 HydrophobicContact SD-CD1 4.19Å; M77-P108 HydrophobicContact CE-CB 3.29Å; M77-P108 HydrophobicContact CE-CG 3.48Å; M77-P108 VanDerWaalsContact CE-CG 3.48Å; M77-P108 HydrophobicContact SD-CG 4.37Å; M77-V111 HydrophobicContact CB-CG1 4.18Å; M77-V111 HydrophobicContact CE-CB 4.45Å; M77-V111 HydrophobicContact CE-CG1 3.79Å; M77-V111 HydrophobicContact CE-CG2 3.78Å; M77-V111 HydrophobicContact CG-CG1 3.76Å; M77-V111 HydrophobicContact SD-CG1 4.45Å; M77-F113 HydrophobicContact CG-CD1 4.21Å; M77-F113 HydrophobicContact CG-CE1 3.71Å; M77-F113 HydrophobicContact CG-CZ 4.42Å
78	D	91.3	Very high	88.3	Confident	27 Å²	27	53.6 Å²	53.6	14%	0.144	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-37.3	-175.8	-169.6	53.9	0	0	0	112.9	F76 S91 R93 K112	F76-D78 HydrophobicContact CE2-CB 3.87Å; F76-D78 WeakPolarHBondContact CE2-OD1 3.49Å; F76-D78 HydrophobicContact CZ-CB 4.17Å; F76-D78 PolarHBondContact O-N 3.41Å; D78-S91 WeakPolarHBondContact O-CA 3.46Å; D78-S91 WeakPolarHBondContact O-CB 3.13Å; D78-S91 PolarHBondContact O-OG 3.4Å; D78-R93 IonicContact OD1-CZ 3.23Å; D78-R93 IonicContact OD1-NE 3.8Å; D78-R93 PolarHBondContact OD1-NE 3.45Å; D78-R93 IonicContact OD1-NH2 3.94Å; D78-R93 PolarHBondContact OD1-NH2 3.27Å; D78-R93 IonicContact OD2-CZ 2.73Å; D78-R93 IonicContact OD2-NH2 2.76Å; D78-R93 PolarHBondContact OD2-NH2 3.02Å; D78-K112 PolarHBondContact N-O 3.5Å
79	S	90	Very high	87.9	Confident	18 Å²	18	56 Å²	56	13%	0.126	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	134.2	172.6	75.2	0	0	0	0	110.9	R90 V111 K112	S79-R90 CarbonylContact C-O 3.59Å; S79-R90 VanDerWaalsContact CA-O 3.3Å; S79-R90 WeakPolarHBondContact CA-O 3.41Å; S79-V111 CarbonylContact O-C 3.08Å; S79-V111 WeakPolarHBondContact O-CA 3.17Å; S79-K112 PolarHBondContact N-O 3.04Å; S79-K112 PolarHBondContact O-N 3.01Å; S79-K112 WeakPolarHBondContact OG-CB 3.09Å; S79-K112 WeakPolarHBondContact OG-CD 3.27Å; S79-K112 WeakPolarHBondContact OG-CG 3.16Å
80	F	90.8	Very high	87.7	Confident	9 Å²	9	58.2 Å²	58.2	4%	0.039	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	166.8	175.2	65.4	-79.7	0	0	0	111.3	M77 L82 R90 L92 F100 P108 V111	M77-F80 HydrophobicContact CB-CD1 3.98Å; M77-F80 HydrophobicContact CB-CE1 4.37Å; M77-F80 HydrophobicContact CE-CB 3.69Å; M77-F80 HydrophobicContact CE-CD1 3.71Å; M77-F80 HydrophobicContact CE-CD2 3.82Å; M77-F80 HydrophobicContact CE-CE1 4.26Å; M77-F80 HydrophobicContact CE-CE2 4.34Å; M77-F80 HydrophobicContact CE-CG 3.46Å; M77-F80 VanDerWaalsContact CE-CG 3.46Å; F80-L82 HydrophobicContact CD2-CD2 4.42Å; F80-L82 HydrophobicContact CE2-CD2 3.84Å; F80-L82 HydrophobicContact CE2-CG 4.45Å; F80-R90 HydrophobicContact CD1-CB 4.33Å; F80-R90 VanDerWaalsContact CD1-O 3.27Å; F80-R90 WeakPolarHBondContact CD1-O 3.4Å; F80-R90 HydrophobicContact CD2-CB 4.44Å; F80-R90 HydrophobicContact CE1-CB 3.85Å; F80-R90 HydrophobicContact CE2-CB 4Å; F80-R90 HydrophobicContact CZ-CB 3.69Å; F80-R90 PolarHBondContact N-O 2.93Å; F80-R90 PolarHBondContact O-N 3.08Å; F80-L92 HydrophobicContact CE1-CD2 4.18Å; F80-L92 HydrophobicContact CE1-CG 3.9Å; F80-L92 HydrophobicContact CZ-CD2 4.23Å; F80-L92 HydrophobicContact CZ-CG 4.37Å; F80-F100 HydrophobicContact CZ-CD2 4.23Å; F80-F100 AromaticContact CZ-CE2 3.74Å; F80-F100 HydrophobicContact CZ-CE2 3.74Å; F80-P108 HydrophobicContact CB-CB 4.25Å; F80-P108 HydrophobicContact CD2-CB 3.7Å; F80-P108 HydrophobicContact CE2-CB 4.41Å; F80-P108 HydrophobicContact CG-CB 4.25Å; F80-V111 HydrophobicContact CB-CG2 4.01Å
81	R	87.4	Confident	87.7	Confident	73 Å²	73	55.7 Å²	55.7	28%	0.275	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.2	170.3	-57.5	-169.7	-72.1	156.5	-9.3	110.1	D86 P108 I109 D110	R81-D86 WeakPolarHBondContact CD-O 3.43Å; R81-D86 PolarHBondContact NH1-O 3.41Å; R81-P108 WeakPolarHBondContact O-CA 3.2Å; R81-I109 HydrophobicContact CB-CD1 4.42Å; R81-I109 HydrophobicContact CB-CG1 3.93Å; R81-I109 PolarHBondContact N-O 2.98Å; R81-I109 WeakPolarHBondContact O-CG1 3.47Å; R81-I109 PolarHBondContact O-N 3.23Å; R81-D110 IonicContact CZ-OD2 2.75Å; R81-D110 IonicContact NE-OD2 2.67Å; R81-D110 PolarHBondContact NE-OD2 3.15Å; R81-D110 IonicContact NH2-OD2 2.81Å; R81-D110 PolarHBondContact NH2-OD2 2.98Å
82	L	85.8	Confident	87.7	Confident	30 Å²	30	56 Å²	56	16%	0.157	32%	0.316	C	S	.	.	S	Bend	trans	-81.1	-28.9	178.5	-71.5	-179.4	0	0	0	112.7	F80 F100 A106	F80-L82 HydrophobicContact CD2-CD2 4.42Å; F80-L82 HydrophobicContact CE2-CD2 3.84Å; F80-L82 HydrophobicContact CE2-CG 4.45Å; L82-F100 HydrophobicContact CD1-CB 4.18Å; L82-A106 HydrophobicContact CB-CB 4.19Å; L82-A106 HydrophobicContact CD2-CB 4.36Å; L82-A106 VanDerWaalsContact O-CB 3.29Å; L82-A106 WeakPolarHBondContact O-CB 3.48Å
83	S	84	Confident	87.8	Confident	44 Å²	44	52.1 Å²	52.1	31%	0.308	29%	0.292	S	S	.	.	S	Bend	trans	-148.4	159	175.9	80	0	0	0	0	111.5	N85 D86	S83-N85 PolarHBondContact O-N 3.45Å; S83-N85 PolarHBondContact OG-N 3.37Å; S83-D86 WeakPolarHBondContact O-CB 3.39Å; S83-D86 PolarHBondContact O-N 2.91Å; S83-D86 WeakPolarHBondContact OG-CB 3.25Å; S83-D86 PolarHBondContact OG-N 3.49Å; S83-D86 VanDerWaalsContact OG-N 3.17Å
84	P	80.9	Confident	87.9	Confident	95 Å²	95	49.6 Å²	49.6	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.9	175.4	-22.2	31.9	0	0	0	113.3	D86 I109	P84-D86 VanDerWaalsContact C-N 3.33Å; P84-I109 HydrophobicContact CB-CD1 4.15Å; P84-I109 HydrophobicContact CG-CD1 3.9Å
85	N	81.7	Confident	87.9	Confident	159 Å²	159	47.4 Å²	47.4	85%	0.85	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-10.9	-179.9	-65.1	-13.7	0	0	0	112.6	S83	S83-N85 PolarHBondContact O-N 3.45Å; S83-N85 PolarHBondContact OG-N 3.37Å
86	D	79.7	Confident	87.4	Confident	30 Å²	30	43 Å²	43	16%	0.16	24%	0.237	C	C	.	.			trans	-82.5	125.2	177.4	-161.6	-9.9	0	0	0	109.6	R81 S83 P84 T88 R90	R81-D86 WeakPolarHBondContact CD-O 3.43Å; R81-D86 PolarHBondContact NH1-O 3.41Å; S83-D86 WeakPolarHBondContact O-CB 3.39Å; S83-D86 PolarHBondContact O-N 2.91Å; S83-D86 WeakPolarHBondContact OG-CB 3.25Å; S83-D86 PolarHBondContact OG-N 3.49Å; S83-D86 VanDerWaalsContact OG-N 3.17Å; P84-D86 VanDerWaalsContact C-N 3.33Å; D86-T88 WeakPolarHBondContact OD1-CB 3.24Å; D86-T88 PolarHBondContact OD1-N 2.83Å; D86-T88 PolarHBondContact OD1-OG1 3.25Å; D86-T88 PolarHBondContact OD2-OG1 2.96Å; D86-R90 IonicContact OD2-CZ 3.3Å; D86-R90 VanDerWaalsContact OD2-CZ 3.3Å; D86-R90 IonicContact OD2-NH1 3.71Å; D86-R90 PolarHBondContact OD2-NH1 3.23Å; D86-R90 IonicContact OD2-NH2 3.01Å; D86-R90 PolarHBondContact OD2-NH2 3.43Å
87	S	81	Confident	86.6	Confident	109 Å²	109	46.3 Å²	46.3	76%	0.762	25%	0.251	S	S	*	.			trans	-87.2	-12.4	173.8	55.9	0	0	0	0	112.1
88	T	83.9	Confident	85.5	Confident	49 Å²	49	48.5 Å²	48.5	30%	0.301	27%	0.27	S	S	.	.			trans	-82.4	123.9	-178.2	66.1	0	0	0	0	110.8	D86 R90	D86-T88 WeakPolarHBondContact OD1-CB 3.24Å; D86-T88 PolarHBondContact OD1-N 2.83Å; D86-T88 PolarHBondContact OD1-OG1 3.25Å; D86-T88 PolarHBondContact OD2-OG1 2.96Å; T88-R90 PolarHBondContact OG1-NH1 3.5Å; T88-R90 PolarHBondContact OG1-NH2 3.05Å
89	T	87.5	Confident	84.2	Confident	52 Å²	52	51.8 Å²	51.8	32%	0.319	29%	0.294	S	S	.	.			trans	-87.2	134.9	170.5	-57.9	0	0	0	0	108.7	G19	G19-T89 VanDerWaalsContact CA-O 3.24Å; G19-T89 WeakPolarHBondContact CA-O 3.23Å
90	R	88.6	Confident	83	Confident	50 Å²	50	53.2 Å²	53.2	19%	0.189	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-118	158.7	179.3	-69.4	178.7	-176.7	80.9	-3.4	110.5	S79 F80 D86 T88 F100	S79-R90 CarbonylContact C-O 3.59Å; S79-R90 VanDerWaalsContact CA-O 3.3Å; S79-R90 WeakPolarHBondContact CA-O 3.41Å; F80-R90 HydrophobicContact CD1-CB 4.33Å; F80-R90 VanDerWaalsContact CD1-O 3.27Å; F80-R90 WeakPolarHBondContact CD1-O 3.4Å; F80-R90 HydrophobicContact CD2-CB 4.44Å; F80-R90 HydrophobicContact CE1-CB 3.85Å; F80-R90 HydrophobicContact CE2-CB 4Å; F80-R90 HydrophobicContact CZ-CB 3.69Å; F80-R90 PolarHBondContact N-O 2.93Å; F80-R90 PolarHBondContact O-N 3.08Å; D86-R90 IonicContact OD2-CZ 3.3Å; D86-R90 VanDerWaalsContact OD2-CZ 3.3Å; D86-R90 IonicContact OD2-NH1 3.71Å; D86-R90 PolarHBondContact OD2-NH1 3.23Å; D86-R90 IonicContact OD2-NH2 3.01Å; D86-R90 PolarHBondContact OD2-NH2 3.43Å; T88-R90 PolarHBondContact OG1-NH1 3.5Å; T88-R90 PolarHBondContact OG1-NH2 3.05Å; R90-F100 HydrophobicContact CB-CE1 4.27Å; R90-F100 HydrophobicContact CB-CE2 4.1Å; R90-F100 HydrophobicContact CB-CZ 3.78Å; R90-F100 VanDerWaalsContact CD-CD1 3.47Å; R90-F100 VanDerWaalsContact CD-CE1 3.46Å; R90-F100 HydrophobicContact CG-CD1 4.3Å; R90-F100 HydrophobicContact CG-CE1 3.81Å; R90-F100 HydrophobicContact CG-CE2 4.35Å; R90-F100 HydrophobicContact CG-CZ 3.85Å
91	S	91	Very high	81.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.338	C	S	.	.			trans	-138	143.6	179.8	-175.6	0	0	0	0	110.5	D78 R93 R95	D78-S91 WeakPolarHBondContact O-CA 3.46Å; D78-S91 WeakPolarHBondContact O-CB 3.13Å; D78-S91 PolarHBondContact O-OG 3.4Å; S91-R93 VanDerWaalsContact C-N 3.31Å; S91-R93 VanDerWaalsContact OG-CB 3.23Å; S91-R93 WeakPolarHBondContact OG-CB 3.3Å; S91-R93 PolarHBondContact OG-N 3.02Å; S91-R95 PolarHBondContact O-NH1 3.09Å
92	L	91.1	Very high	79.7	Confident	30 Å²	30	64.1 Å²	64.1	16%	0.157	36%	0.356	C	S	.	.			trans	-94.4	14	166.5	-60.4	-175.2	0	0	0	112	F76 M77 F80 F100	F76-L92 HydrophobicContact CD2-CB 4.45Å; M77-L92 HydrophobicContact CB-CD1 4.07Å; M77-L92 HydrophobicContact CB-CG 4.26Å; M77-L92 HydrophobicContact CG-CD1 4.41Å; M77-L92 PolarHBondContact O-N 3.16Å; M77-L92 HydrophobicContact SD-CD1 4.19Å; F80-L92 HydrophobicContact CE1-CD2 4.18Å; F80-L92 HydrophobicContact CE1-CG 3.9Å; F80-L92 HydrophobicContact CZ-CD2 4.23Å; F80-L92 HydrophobicContact CZ-CG 4.37Å; L92-F100 HydrophobicContact CD2-CE2 4.15Å
93	R	91.4	Very high	78	Confident	39 Å²	39	66 Å²	66	15%	0.147	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	139.2	173.3	-159.1	-175.8	-64.8	179.4	-5.4	110.3	F14 F76 D78 S91 R95 Y202	F14-R93 HydrophobicContact CE1-CB 4.1Å; F14-R93 HydrophobicContact CZ-CB 3.91Å; F76-R93 HydrophobicContact CE2-CB 3.85Å; F76-R93 HydrophobicContact CE2-CG 4.1Å; F76-R93 HydrophobicContact CZ-CB 4.45Å; F76-R93 HydrophobicContact CZ-CG 4.19Å; D78-R93 IonicContact OD1-CZ 3.23Å; D78-R93 IonicContact OD1-NE 3.8Å; D78-R93 PolarHBondContact OD1-NE 3.45Å; D78-R93 IonicContact OD1-NH2 3.94Å; D78-R93 PolarHBondContact OD1-NH2 3.27Å; D78-R93 IonicContact OD2-CZ 2.73Å; D78-R93 IonicContact OD2-NH2 2.76Å; D78-R93 PolarHBondContact OD2-NH2 3.02Å; S91-R93 VanDerWaalsContact C-N 3.31Å; S91-R93 VanDerWaalsContact OG-CB 3.23Å; S91-R93 WeakPolarHBondContact OG-CB 3.3Å; S91-R93 PolarHBondContact OG-N 3.02Å; R93-R95 VanDerWaalsContact C-N 3.29Å; R93-R95 PolarHBondContact O-N 3.05Å; R93-Y202 HydrophobicContact CB-CE1 4.49Å; R93-Y202 HydrophobicContact CG-CD1 3.7Å; R93-Y202 HydrophobicContact CG-CE1 3.83Å; R93-Y202 HydrophobicContact CG-CG 4.17Å
94	Y	92.7	Very high	76.6	Confident	3 Å²	3	70 Å²	70	1%	0.012	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	23.2	-180	-41.8	-58.1	0	0	0	115.9	L11 F14 F29 Y202 I220 H249 A250 L251	L11-Y94 WeakPolarHBondContact CD2-O 3.07Å; F14-Y94 HydrophobicContact CD1-CD2 4.32Å; F14-Y94 HydrophobicContact CD2-CD2 4.25Å; F14-Y94 AromaticContact CD2-CE2 3.95Å; F14-Y94 HydrophobicContact CD2-CE2 3.95Å; F14-Y94 HydrophobicContact CE1-CD2 4.34Å; F14-Y94 HydrophobicContact CE2-CD2 4.3Å; F14-Y94 AromaticContact CE2-CE2 3.83Å; F14-Y94 HydrophobicContact CE2-CE2 3.83Å; F14-Y94 HydrophobicContact CG-CD2 4.26Å; F14-Y94 HydrophobicContact CG-CE2 4.42Å; F14-Y94 HydrophobicContact CZ-CD2 4.34Å; F14-Y94 HydrophobicContact CZ-CE2 4.2Å; F29-Y94 HydrophobicContact CD1-CE2 4.24Å; F29-Y94 HydrophobicContact CE1-CE2 4.1Å; Y94-Y202 VanDerWaalsContact CA-OH 3.23Å; Y94-Y202 WeakPolarHBondContact CA-OH 3.19Å; Y94-Y202 AromaticContact CD1-CD2 3.6Å; Y94-Y202 HydrophobicContact CD1-CD2 3.6Å; Y94-Y202 AromaticContact CD1-CE2 3.48Å; Y94-Y202 HydrophobicContact CD1-CE2 3.48Å; Y94-Y202 VanDerWaalsContact CD1-CE2 3.48Å; Y94-Y202 HydrophobicContact CD1-CG 4.35Å; Y94-Y202 AromaticContact CE1-CD2 3.63Å; Y94-Y202 HydrophobicContact CE1-CD2 3.63Å; Y94-Y202 HydrophobicContact CE1-CE2 4.03Å; Y94-Y202 HydrophobicContact CE1-CG 4.12Å; Y94-Y202 HydrophobicContact CG-CE2 4.43Å; Y94-Y202 PolarHBondContact N-OH 3.49Å; Y94-I220 HydrophobicContact CG-CD1 4.44Å; Y94-H249 HydrophobicContact CD1-CB 4.34Å; Y94-H249 PolarHBondContact O-CD2 2.83Å; Y94-H249 VanDerWaalsContact O-CD2 3.25Å; Y94-H249 VanDerWaalsContact O-CG 3.31Å; Y94-A250 WeakPolarHBondContact CE1-O 3.4Å; Y94-L251 HydrophobicContact CD1-CD2 3.49Å; Y94-L251 VanDerWaalsContact CD1-CD2 3.49Å; Y94-L251 HydrophobicContact CD2-CD2 3.89Å; Y94-L251 HydrophobicContact CE1-CD2 3.41Å; Y94-L251 VanDerWaalsContact CE1-CD2 3.41Å; Y94-L251 HydrophobicContact CE2-CD2 3.79Å; Y94-L251 HydrophobicContact CG-CD2 3.74Å
95	R	90.7	Very high	75.4	Confident	16 Å²	16	73.3 Å²	73.3	6%	0.06	40%	0.402	C	S	.	.			trans	-152.6	151.2	176.3	58.8	-171.9	69.1	134.2	-7.6	110.7	D15 S91 R93 R116 H249	D15-R95 IonicContact OD1-CZ 3.54Å; D15-R95 VanDerWaalsContact OD1-CZ 3.26Å; D15-R95 IonicContact OD1-NH1 3.54Å; D15-R95 PolarHBondContact OD1-NH1 3.46Å; D15-R95 IonicContact OD1-NH2 2.76Å; D15-R95 PolarHBondContact OD1-NH2 2.97Å; D15-R95 IonicContact OD2-CZ 3.86Å; D15-R95 IonicContact OD2-NH1 3.7Å; D15-R95 IonicContact OD2-NH2 2.84Å; D15-R95 PolarHBondContact OD2-NH2 3.3Å; S91-R95 PolarHBondContact O-NH1 3.09Å; R93-R95 VanDerWaalsContact C-N 3.29Å; R93-R95 PolarHBondContact O-N 3.05Å; R95-R116 PolarHBondContact O-NH1 3.11Å; R95-H249 PolarHBondContact N-CE1 3.2Å
96	D	82.5	Confident	74.6	Confident	25 Å²	25	67.2 Å²	67.2	13%	0.134	37%	0.374	C	S	.	.	S	Bend	trans	-90	-28.6	174	-78.2	-7.6	0	0	0	113	R116 R200 E222 R247 H249	D96-R116 IonicContact OD1-CZ 3.14Å; D96-R116 IonicContact OD1-NH1 2.67Å; D96-R116 PolarHBondContact OD1-NH1 3.24Å; D96-R116 IonicContact OD1-NH2 2.75Å; D96-R116 PolarHBondContact OD1-NH2 3.48Å; D96-R200 IonicContact OD1-CZ 3.37Å; D96-R200 IonicContact OD1-NE 3.68Å; D96-R200 IonicContact OD1-NH2 2.57Å; D96-R200 IonicContact OD2-CZ 3.89Å; D96-R200 IonicContact OD2-NE 3.8Å; D96-R200 IonicContact OD2-NH2 3.96Å; D96-R200 PolarHBondContact OD2-NH2 2.84Å; D96-E222 PolarHBondContact N-OE2 2.91Å; D96-R247 WeakPolarHBondContact OD2-CD 3.42Å; D96-R247 IonicContact OD2-CZ 2.64Å; D96-R247 IonicContact OD2-NE 3.4Å; D96-R247 PolarHBondContact OD2-NE 3.04Å; D96-R247 VanDerWaalsContact OD2-NE 3.16Å; D96-R247 IonicContact OD2-NH1 3Å; D96-H249 IonicContact OD1-CE1 2.72Å; D96-H249 PolarHBondContact OD1-CE1 3.17Å
97	F	74.5	Confident	74.6	Confident	80 Å²	80	70 Å²	70	35%	0.351	40%	0.396	S	S	.	.	S	Bend	trans	-121.4	151.1	-176	-54.2	-79.4	0	0	0	112.3
98	S	69	Low	74.8	Confident	81 Å²	81	67.6 Å²	67.6	57%	0.566	38%	0.378	S	S	*	.			trans	-74.3	126.5	169.9	54.8	0	0	0	0	110.8
99	C	63.8	Low	75	Confident	95 Å²	95	67.3 Å²	67.3	64%	0.642	37%	0.374	S	S	*	.			trans	-102.1	18.2	172	-63	0	0	0	0	112.6	E101	C99-E101 PolarHBondContact O-N 3.15Å
100	F	64.4	Low	75.1	Confident	49 Å²	49	69.6 Å²	69.6	22%	0.215	38%	0.384	C	S	.	.			trans	-80.2	113.9	-178.2	-51.7	-64.9	0	0	0	108.7	F80 L82 R90 L92 N102	F80-F100 HydrophobicContact CZ-CD2 4.23Å; F80-F100 AromaticContact CZ-CE2 3.74Å; F80-F100 HydrophobicContact CZ-CE2 3.74Å; L82-F100 HydrophobicContact CD1-CB 4.18Å; R90-F100 HydrophobicContact CB-CE1 4.27Å; R90-F100 HydrophobicContact CB-CE2 4.1Å; R90-F100 HydrophobicContact CB-CZ 3.78Å; R90-F100 VanDerWaalsContact CD-CD1 3.47Å; R90-F100 VanDerWaalsContact CD-CE1 3.46Å; R90-F100 HydrophobicContact CG-CD1 4.3Å; R90-F100 HydrophobicContact CG-CE1 3.81Å; R90-F100 HydrophobicContact CG-CE2 4.35Å; R90-F100 HydrophobicContact CG-CZ 3.85Å; L92-F100 HydrophobicContact CD2-CE2 4.15Å; F100-N102 PolarHBondContact O-N 2.81Å
101	E	58.3	Low	75.2	Confident	188 Å²	188	69.4 Å²	69.4	88%	0.879	39%	0.389	S	S	*	.			trans	-54.1	133.8	179.3	-68.4	-174.1	163.5	0	0	111.4	C99 S103	C99-E101 PolarHBondContact O-N 3.15Å; E101-S103 PolarHBondContact O-N 2.63Å
102	N	50.6	Low	75.3	Confident	122 Å²	122	76.1 Å²	76.1	65%	0.652	42%	0.418	S	S	*	.			trans	-39.4	110.8	-171.4	-59.7	5.1	0	0	0	115.2	F100 D104	F100-N102 PolarHBondContact O-N 2.81Å; N102-D104 WeakPolarHBondContact CB-OD1 3.32Å; N102-D104 WeakPolarHBondContact CB-OD2 3.32Å; N102-D104 PolarHBondContact ND2-OD1 3.28Å; N102-D104 PolarHBondContact ND2-OD2 3.05Å
103	S	49.9	Very low	75.4	Confident	69 Å²	69	81 Å²	81	48%	0.483	44%	0.438	S	S	.	.				-97.9	94.5	121.8	56.6	0	0	0	0	106.2	E101 D105 A106	E101-S103 PolarHBondContact O-N 2.63Å; S103-D105 PolarHBondContact O-N 2.87Å; S103-A106 PolarHBondContact O-N 3.39Å; S103-A106 WeakPolarHBondContact OG-CB 3.29Å
104	D	54.5	Low	75.5	Confident	130 Å²	130	79.9 Å²	79.9	70%	0.695	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-6.8	-175.3	-75.2	-43.2	0	0	0	114.2	N102	N102-D104 WeakPolarHBondContact CB-OD1 3.32Å; N102-D104 WeakPolarHBondContact CB-OD2 3.32Å; N102-D104 PolarHBondContact ND2-OD1 3.28Å; N102-D104 PolarHBondContact ND2-OD2 3.05Å
105	D	56.5	Low	75.6	Confident	164 Å²	164	85.2 Å²	85.2	88%	0.877	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	9.2	179.3	-69.2	-42.4	0	0	0	115.1	S103 S107	S103-D105 PolarHBondContact O-N 2.87Å; D105-S107 PolarHBondContact O-N 3.04Å
106	A	65.3	Low	75.7	Confident	31 Å²	31	85.4 Å²	85.4	26%	0.256	46%	0.462	S	S	.	.			trans	-85.3	101.8	-178	0	0	0	0	0	112.6	L82 S103	L82-A106 HydrophobicContact CB-CB 4.19Å; L82-A106 HydrophobicContact CD2-CB 4.36Å; L82-A106 VanDerWaalsContact O-CB 3.29Å; L82-A106 WeakPolarHBondContact O-CB 3.48Å; S103-A106 PolarHBondContact O-N 3.39Å; S103-A106 WeakPolarHBondContact OG-CB 3.29Å
107	S	78.9	Confident	76.3	Confident	89 Å²	89	87.2 Å²	87.2	62%	0.622	47%	0.47	S	S	*	.			trans	-69.3	125.7	164.9	63.7	0	0	0	0	109.2	D105 I109	D105-S107 PolarHBondContact O-N 3.04Å; S107-I109 PolarHBondContact O-N 3.07Å
108	P	85.2	Confident	77.2	Confident	58 Å²	58	83.5 Å²	83.5	38%	0.377	45%	0.453	S	S	.	.			trans	-61.2	135	178.2	26.6	-34.7	0	0	0	110.6	M77 F80 R81 V111	M77-P108 HydrophobicContact CE-CB 3.29Å; M77-P108 HydrophobicContact CE-CG 3.48Å; M77-P108 VanDerWaalsContact CE-CG 3.48Å; M77-P108 HydrophobicContact SD-CG 4.37Å; F80-P108 HydrophobicContact CB-CB 4.25Å; F80-P108 HydrophobicContact CD2-CB 3.7Å; F80-P108 HydrophobicContact CE2-CB 4.41Å; F80-P108 HydrophobicContact CG-CB 4.25Å; R81-P108 WeakPolarHBondContact O-CA 3.2Å; P108-V111 HydrophobicContact CB-CG2 3.92Å; P108-V111 HydrophobicContact CG-CG2 4.33Å
109	I	88.2	Confident	78.4	Confident	42 Å²	42	79.9 Å²	79.9	22%	0.215	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	164.2	178	64.7	166.2	0	0	0	110.6	R81 P84 S107 V111	R81-I109 HydrophobicContact CB-CD1 4.42Å; R81-I109 HydrophobicContact CB-CG1 3.93Å; R81-I109 PolarHBondContact N-O 2.98Å; R81-I109 WeakPolarHBondContact O-CG1 3.47Å; R81-I109 PolarHBondContact O-N 3.23Å; P84-I109 HydrophobicContact CB-CD1 4.15Å; P84-I109 HydrophobicContact CG-CD1 3.9Å; S107-I109 PolarHBondContact O-N 3.07Å; I109-V111 PolarHBondContact O-N 3.39Å
110	D	89.1	Confident	79.8	Confident	100 Å²	100	76.3 Å²	76.3	54%	0.535	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.3	38.3	-178.8	-57.1	-35.3	0	0	0	113.6	R81 K112	R81-D110 IonicContact CZ-OD2 2.75Å; R81-D110 IonicContact NE-OD2 2.67Å; R81-D110 PolarHBondContact NE-OD2 3.15Å; R81-D110 IonicContact NH2-OD2 2.81Å; R81-D110 PolarHBondContact NH2-OD2 2.98Å; D110-K112 PolarHBondContact O-N 2.82Å
111	V	91.7	Very high	81.2	Confident	47 Å²	47	74.2 Å²	74.2	29%	0.285	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.2	-173.9	-173.3	0	0	0	0	110.5	M77 S79 F80 P108 I109 F113	M77-V111 HydrophobicContact CB-CG1 4.18Å; M77-V111 HydrophobicContact CE-CB 4.45Å; M77-V111 HydrophobicContact CE-CG1 3.79Å; M77-V111 HydrophobicContact CE-CG2 3.78Å; M77-V111 HydrophobicContact CG-CG1 3.76Å; M77-V111 HydrophobicContact SD-CG1 4.45Å; S79-V111 CarbonylContact O-C 3.08Å; S79-V111 WeakPolarHBondContact O-CA 3.17Å; F80-V111 HydrophobicContact CB-CG2 4.01Å; P108-V111 HydrophobicContact CB-CG2 3.92Å; P108-V111 HydrophobicContact CG-CG2 4.33Å; I109-V111 PolarHBondContact O-N 3.39Å; V111-F113 HydrophobicContact CB-CE2 4.41Å; V111-F113 HydrophobicContact CG1-CD1 4.44Å; V111-F113 HydrophobicContact CG1-CD2 4.16Å; V111-F113 HydrophobicContact CG1-CE1 4.03Å; V111-F113 HydrophobicContact CG1-CE2 3.72Å; V111-F113 HydrophobicContact CG1-CZ 3.65Å
112	K	92.9	Very high	82.9	Confident	140 Å²	140	65.4 Å²	65.4	61%	0.609	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	129.2	163.5	-59.1	-176	-175.8	171.1	0	108.7	D78 S79 D110	D78-K112 PolarHBondContact N-O 3.5Å; S79-K112 PolarHBondContact N-O 3.04Å; S79-K112 PolarHBondContact O-N 3.01Å; S79-K112 WeakPolarHBondContact OG-CB 3.09Å; S79-K112 WeakPolarHBondContact OG-CD 3.27Å; S79-K112 WeakPolarHBondContact OG-CG 3.16Å; D110-K112 PolarHBondContact O-N 2.82Å
113	F	94	Very high	85	Confident	132 Å²	132	60.8 Å²	60.8	58%	0.579	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.4	175.4	-66.7	-81	0	0	0	110.5	L75 F76 M77 V111	L75-F113 HydrophobicContact CD2-CB 4.39Å; F76-F113 VanDerWaalsContact O-CA 3.28Å; F76-F113 WeakPolarHBondContact O-CA 3.37Å; M77-F113 HydrophobicContact CG-CD1 4.21Å; M77-F113 HydrophobicContact CG-CE1 3.71Å; M77-F113 HydrophobicContact CG-CZ 4.42Å; V111-F113 HydrophobicContact CB-CE2 4.41Å; V111-F113 HydrophobicContact CG1-CD1 4.44Å; V111-F113 HydrophobicContact CG1-CD2 4.16Å; V111-F113 HydrophobicContact CG1-CE1 4.03Å; V111-F113 HydrophobicContact CG1-CE2 3.72Å; V111-F113 HydrophobicContact CG1-CZ 3.65Å
114	S	93.9	Very high	87.2	Confident	17 Å²	17	57.5 Å²	57.5	12%	0.119	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	175.7	162.4	-164.1	0	0	0	0	110.2	L75 F76 D203	L75-S114 CarbonylContact C-O 3.54Å; L75-S114 WeakPolarHBondContact CA-O 3.25Å; F76-S114 VanDerWaalsContact CD1-O 3.27Å; F76-S114 WeakPolarHBondContact CD1-O 3.4Å; F76-S114 PolarHBondContact N-O 3.35Å; F76-S114 PolarHBondContact O-N 3.36Å; S114-D203 PolarHBondContact OG-OD1 3.33Å; S114-D203 PolarHBondContact OG-OD2 3.1Å
115	E	93.6	Very high	89.1	Confident	115 Å²	115	51.3 Å²	51.3	54%	0.537	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.5	-175.8	-69.5	178.5	-171.8	0	0	111.6	E74 L75 D203	E74-E115 WeakPolarHBondContact O-CA 3.44Å; L75-E115 HydrophobicContact CD2-CG 3.65Å; E115-D203 PolarHBondContact O-N 3.31Å
116	R	93.7	Very high	91	Very high	20 Å²	20	43.9 Å²	43.9	8%	0.075	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.6	168.6	66.5	-172.5	-172.8	165.1	9.6	109.4	A73 E74 F76 R95 D96 V201 Y202	A73-R116 CarbonylContact C-O 3.57Å; A73-R116 WeakPolarHBondContact CA-O 3.49Å; E74-R116 HydrophobicContact CB-CG 4.37Å; E74-R116 PolarHBondContact N-O 3.23Å; E74-R116 PolarHBondContact O-N 3.36Å; E74-R116 IonicContact OE2-NE 2.7Å; E74-R116 IonicContact OE2-NH2 3.16Å; F76-R116 HydrophobicContact CD1-CB 4.01Å; F76-R116 HydrophobicContact CD1-CG 3.95Å; F76-R116 HydrophobicContact CE1-CB 4.15Å; R95-R116 PolarHBondContact O-NH1 3.11Å; D96-R116 IonicContact OD1-CZ 3.14Å; D96-R116 IonicContact OD1-NH1 2.67Å; D96-R116 PolarHBondContact OD1-NH1 3.24Å; D96-R116 IonicContact OD1-NH2 2.75Å; D96-R116 PolarHBondContact OD1-NH2 3.48Å; R116-V201 CarbonylContact C-O 3.55Å; R116-V201 WeakPolarHBondContact CA-O 3.24Å; R116-V201 WeakPolarHBondContact CB-O 3.48Å; R116-Y202 HydrophobicContact CB-CD1 3.9Å; R116-Y202 HydrophobicContact CB-CE1 4.02Å; R116-Y202 HydrophobicContact CB-CG 4.41Å
117	Q	93.9	Very high	92.4	Very high	63 Å²	63	43.2 Å²	43.2	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.3	177.3	-173.4	177	16.7	0	0	110.3	F71 F119 V201	F71-Q117 VanDerWaalsContact O-CG 3.31Å; F71-Q117 WeakPolarHBondContact O-CG 3.48Å; F71-Q117 PolarHBondContact O-NE2 3.13Å; Q117-F119 HydrophobicContact CB-CE2 3.82Å; Q117-F119 HydrophobicContact CB-CZ 4.34Å; Q117-F119 VanDerWaalsContact CD-CZ 3.47Å; Q117-F119 HydrophobicContact CG-CD2 4.39Å; Q117-F119 HydrophobicContact CG-CE2 3.65Å; Q117-F119 HydrophobicContact CG-CZ 3.86Å; Q117-F119 VanDerWaalsContact OE1-CZ 3.29Å; Q117-V201 PolarHBondContact N-O 3.1Å; Q117-V201 PolarHBondContact O-N 3.37Å
118	S	93.1	Very high	93.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	143.1	-179.8	-45	0	0	0	0	111.3	F71 L199 R200	F71-S118 WeakPolarHBondContact CB-O 3.44Å; F71-S118 WeakPolarHBondContact CD2-O 3.2Å; F71-S118 PolarHBondContact N-O 2.99Å; S118-L199 CarbonylContact C-O 3.49Å; S118-L199 WeakPolarHBondContact CA-O 3.4Å; S118-R200 WeakPolarHBondContact OG-CD 3.35Å; S118-R200 PolarHBondContact OG-NH1 3.38Å
119	F	94.5	Very high	93.6	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.022	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.1	179.2	-61.2	-102.1	0	0	0	109.4	V67 D69 M70 Q117 I121 L198 L199 V201 L209	V67-F119 HydrophobicContact CG1-CB 4.5Å; V67-F119 HydrophobicContact CG1-CD1 3.85Å; D69-F119 CarbonylContact O-C 3.48Å; D69-F119 WeakPolarHBondContact O-CA 3.36Å; M70-F119 HydrophobicContact CB-CD1 4.34Å; M70-F119 HydrophobicContact CB-CE1 4.38Å; M70-F119 HydrophobicContact CE-CE1 3.66Å; M70-F119 HydrophobicContact CE-CZ 4.33Å; M70-F119 HydrophobicContact CG-CD1 3.66Å; M70-F119 HydrophobicContact CG-CE1 3.72Å; M70-F119 HydrophobicContact SD-CE1 4.08Å; Q117-F119 HydrophobicContact CB-CE2 3.82Å; Q117-F119 HydrophobicContact CB-CZ 4.34Å; Q117-F119 VanDerWaalsContact CD-CZ 3.47Å; Q117-F119 HydrophobicContact CG-CD2 4.39Å; Q117-F119 HydrophobicContact CG-CE2 3.65Å; Q117-F119 HydrophobicContact CG-CZ 3.86Å; Q117-F119 VanDerWaalsContact OE1-CZ 3.29Å; F119-I121 HydrophobicContact CB-CD1 4.15Å; F119-L198 CarbonylContact O-C 3.57Å; F119-L199 HydrophobicContact CB-CB 4.28Å; F119-L199 PolarHBondContact N-O 3.28Å; F119-L199 PolarHBondContact O-N 2.91Å; F119-V201 HydrophobicContact CD2-CB 4.25Å; F119-V201 HydrophobicContact CD2-CG2 3.59Å; F119-V201 HydrophobicContact CE2-CB 3.86Å; F119-V201 HydrophobicContact CE2-CG2 3.61Å; F119-L209 HydrophobicContact CD1-CB 4.17Å; F119-L209 HydrophobicContact CD1-CD1 4.29Å; F119-L209 HydrophobicContact CD2-CD1 4.46Å; F119-L209 HydrophobicContact CE1-CB 3.62Å; F119-L209 HydrophobicContact CE1-CD1 4.29Å; F119-L209 HydrophobicContact CE1-CG 4.48Å; F119-L209 HydrophobicContact CE2-CD1 4.47Å; F119-L209 HydrophobicContact CG-CD1 4.39Å; F119-L209 HydrophobicContact CZ-CB 4.05Å; F119-L209 HydrophobicContact CZ-CD1 4.39Å
120	Y	94	Very high	94	Very high	21 Å²	21	38.5 Å²	38.5	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113.5	170.2	-173.9	-127.5	0	0	0	109.4	Q68 D69 V122 L245	Q68-Y120 HydrophobicContact CB-CD1 4.09Å; Q68-Y120 PolarHBondContact N-O 2.57Å; D69-Y120 PolarHBondContact N-O 3Å; D69-Y120 PolarHBondContact O-N 3.01Å; Y120-V122 HydrophobicContact CD1-CG1 3.8Å; Y120-V122 HydrophobicContact CE1-CG1 3.32Å; Y120-L245 HydrophobicContact CD2-CD1 4.03Å; Y120-L245 HydrophobicContact CE2-CD1 3.57Å; Y120-L245 HydrophobicContact CE2-CD2 4.23Å
121	I	94.3	Very high	94.2	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.1	178.8	-54.7	-57.5	0	0	0	109.2	V63 M66 V67 F119 G196 A197 L199 V215	V63-I121 HydrophobicContact CG1-CG2 4.25Å; M66-I121 WeakPolarHBondContact O-CA 3.37Å; V67-I121 HydrophobicContact CB-CD1 4.08Å; V67-I121 HydrophobicContact CG2-CD1 3.49Å; V67-I121 VanDerWaalsContact CG2-CD1 3.49Å; F119-I121 HydrophobicContact CB-CD1 4.15Å; I121-G196 CarbonylContact O-C 3.56Å; I121-G196 WeakPolarHBondContact O-CA 3.35Å; I121-A197 PolarHBondContact N-O 3.45Å; I121-A197 PolarHBondContact O-N 3.36Å; I121-L199 HydrophobicContact CD1-CB 4.33Å; I121-L199 HydrophobicContact CD1-CD2 4.11Å; I121-L199 HydrophobicContact CG1-CB 3.52Å; I121-L199 HydrophobicContact CG1-CD2 3.98Å; I121-L199 HydrophobicContact CG1-CG 4.3Å; I121-V215 HydrophobicContact CD1-CG2 4.08Å
122	V	94	Very high	94.1	Very high	2 Å²	2	35 Å²	35	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.5	176.7	-60.2	0	0	0	0	110.6	G65 M66 Q68 Y120 V124 P125 F183	G65-V122 CarbonylContact C-O 3.58Å; G65-V122 WeakPolarHBondContact CA-O 3.28Å; M66-V122 HydrophobicContact CB-CG2 4.25Å; M66-V122 HydrophobicContact CE-CG2 4.11Å; M66-V122 PolarHBondContact N-O 3Å; M66-V122 PolarHBondContact O-N 3.22Å; Q68-V122 HydrophobicContact CB-CG1 3.99Å; Q68-V122 HydrophobicContact CB-CG2 4.04Å; Y120-V122 HydrophobicContact CD1-CG1 3.8Å; Y120-V122 HydrophobicContact CE1-CG1 3.32Å; V122-V124 PolarHBondContact O-N 2.89Å; V122-P125 HydrophobicContact CG2-CG 4.42Å; V122-F183 HydrophobicContact CB-CD1 3.92Å; V122-F183 HydrophobicContact CB-CE1 3.97Å; V122-F183 HydrophobicContact CG1-CD1 3.63Å; V122-F183 HydrophobicContact CG1-CE1 3.71Å
123	P	93.4	Very high	94	Very high	26 Å²	26	33.3 Å²	33.3	17%	0.169	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-51.6	137.3	165.2	-24.8	35.9	0	0	0	109.3	P125 F183 K194	P123-P125 VanDerWaalsContact O-CD 3.26Å; P123-P125 WeakPolarHBondContact O-CD 3.22Å; P123-P125 VanDerWaalsContact O-N 3.09Å; P123-F183 HydrophobicContact CG-CZ 4.39Å; P123-K194 HydrophobicContact CB-CD 4.12Å; P123-K194 HydrophobicContact CB-CG 4.4Å; P123-K194 HydrophobicContact CG-CB 4.07Å; P123-K194 HydrophobicContact CG-CD 4.31Å; P123-K194 HydrophobicContact CG-CG 4.22Å
124	V	95.6	Very high	93.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-57.1	119.7	-174.2	-177.5	0	0	0	0	109.5	V122 E127 I214 H370 P406	V122-V124 PolarHBondContact O-N 2.89Å; V124-E127 HydrophobicContact CB-CG 3.72Å; V124-E127 HydrophobicContact CG1-CG 3.93Å; V124-E127 WeakPolarHBondContact O-CG 3.41Å; V124-I214 HydrophobicContact CG1-CD1 3.89Å; V124-I214 HydrophobicContact CG1-CG1 4.15Å; V124-I214 HydrophobicContact CG2-CG1 4.36Å; V124-I214 HydrophobicContact CG2-CG2 3.89Å; V124-H370 WeakPolarHBondContact CG1-NE2 3.29Å; V124-P406 HydrophobicContact CG1-CB 4.27Å; V124-P406 HydrophobicContact CG1-CG 3.77Å
125	P	95.6	Very high	93.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	140.5	-175.4	-23.1	32.4	0	0	0	112.3	M66 V122 P123 E127 P184 L185 L405	M66-P125 HydrophobicContact CE-CG 3.56Å; M66-P125 HydrophobicContact SD-CG 3.95Å; V122-P125 HydrophobicContact CG2-CG 4.42Å; P123-P125 VanDerWaalsContact O-CD 3.26Å; P123-P125 WeakPolarHBondContact O-CD 3.22Å; P123-P125 VanDerWaalsContact O-N 3.09Å; P125-E127 PolarHBondContact O-N 3.31Å; P125-P184 HydrophobicContact CB-CB 4.42Å; P125-P184 HydrophobicContact CB-CG 4.33Å; P125-P184 HydrophobicContact CG-CB 4.33Å; P125-P184 HydrophobicContact CG-CG 3.72Å; P125-L185 HydrophobicContact CB-CD1 4.34Å; P125-L185 HydrophobicContact CB-CG 4.42Å; P125-L405 HydrophobicContact CB-CD2 4.07Å
126	G	95.5	Very high	93.3	Very high	7 Å²	7	26 Å²	26	7%	0.072	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	9.9	172.5	0	0	0	0	0	113.8	S128 E188 H370 L371	G126-S128 PolarHBondContact O-N 3.17Å; G126-E188 PolarHBondContact N-OE1 3.44Å; G126-H370 CarbonylContact O-C 3.58Å; G126-H370 WeakPolarHBondContact O-CA 3.31Å; G126-L371 WeakPolarHBondContact CA-O 3.42Å; G126-L371 PolarHBondContact O-N 3.37Å
127	E	95.2	Very high	92.9	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.084	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-54.4	125.8	176.8	-87.6	-173	151.1	0	0	112	V124 P125 V131 R135 N259	V124-E127 HydrophobicContact CB-CG 3.72Å; V124-E127 HydrophobicContact CG1-CG 3.93Å; V124-E127 WeakPolarHBondContact O-CG 3.41Å; P125-E127 PolarHBondContact O-N 3.31Å; E127-V131 HydrophobicContact CG-CG1 4.33Å; E127-R135 IonicContact OE1-CZ 2.97Å; E127-R135 IonicContact OE1-NH1 3.86Å; E127-R135 PolarHBondContact OE1-NH1 3.41Å; E127-R135 IonicContact OE1-NH2 3.89Å; E127-R135 PolarHBondContact OE1-NH2 2.92Å; E127-R135 IonicContact OE2-NH1 3.19Å; E127-R135 PolarHBondContact OE2-NH1 3.4Å; E127-N259 PolarHBondContact OE1-ND2 3.42Å
128	S	96.1	Very high	92.3	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	17%	0.17	C	C	.	.			trans	-63.7	147.8	176.1	-68.3	0	0	0	0	111.8	G126 W130 V131 P365 V368 T369	G126-S128 PolarHBondContact O-N 3.17Å; S128-W130 VanDerWaalsContact C-N 3.32Å; S128-W130 VanDerWaalsContact CB-NE1 3.33Å; S128-W130 PolarHBondContact O-N 2.84Å; S128-V131 VanDerWaalsContact O-CB 3.31Å; S128-V131 WeakPolarHBondContact O-CB 3.49Å; S128-V131 PolarHBondContact O-N 2.85Å; S128-V131 VanDerWaalsContact O-N 3.07Å; S128-P365 WeakPolarHBondContact CB-O 3.34Å; S128-P365 PolarHBondContact OG-O 2.78Å; S128-V368 VanDerWaalsContact CB-O 3.24Å; S128-V368 WeakPolarHBondContact CB-O 3.37Å; S128-V368 PolarHBondContact OG-O 3.27Å; S128-T369 PolarHBondContact N-O 3.04Å; S128-T369 PolarHBondContact OG-O 3.36Å
129	P	93.6	Very high	91.7	Very high	78 Å²	78	35.1 Å²	35.1	51%	0.506	18%	0.177	S	C	.	.	H	α-helix	trans	-54.5	-42.9	-174.4	-28.2	35.4	0	0	0	114.4	V131 K132 E133	P129-V131 PolarHBondContact O-N 3.05Å; P129-K132 PolarHBondContact O-N 3.34Å; P129-K132 VanDerWaalsContact O-N 3.11Å; P129-E133 PolarHBondContact O-N 3.32Å; P129-E133 VanDerWaalsContact O-N 3.14Å
130	W	95.2	Very high	90.7	Very high	9 Å²	9	37.5 Å²	37.5	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-30	-178.8	66.7	-95.7	0	0	0	112.9	S128 K132 E133 V134 N260 P261 L262 P365 V368 R503	S128-W130 VanDerWaalsContact C-N 3.32Å; S128-W130 VanDerWaalsContact CB-NE1 3.33Å; S128-W130 PolarHBondContact O-N 2.84Å; W130-K132 VanDerWaalsContact C-N 3.32Å; W130-K132 PolarHBondContact O-N 3.49Å; W130-E133 PolarHBondContact O-N 3.34Å; W130-V134 HydrophobicContact CE3-CG2 4.35Å; W130-V134 VanDerWaalsContact O-CG2 3.28Å; W130-V134 WeakPolarHBondContact O-CG2 3.44Å; W130-V134 PolarHBondContact O-N 3.13Å; W130-N260 HydrophobicContact CH2-CB 4.3Å; W130-N260 VanDerWaalsContact CH2-OD1 3.3Å; W130-N260 WeakPolarHBondContact CH2-OD1 3.28Å; W130-N260 WeakPolarHBondContact CZ3-OD1 3.42Å; W130-P261 HydrophobicContact CZ3-CG 4.26Å; W130-L262 HydrophobicContact CE3-CD1 4.24Å; W130-L262 HydrophobicContact CZ3-CD1 3.8Å; W130-L262 HydrophobicContact CZ3-CG 4.12Å; W130-P365 PolarHBondContact NE1-O 2.84Å; W130-V368 PolarHBondContact NE1-O 2.8Å; W130-V368 VanDerWaalsContact NE1-O 3.09Å; W130-R503 HydrophobicContact CD2-CG 4.41Å; W130-R503 HydrophobicContact CH2-CB 4.05Å; W130-R503 HydrophobicContact CH2-CG 4.06Å; W130-R503 HydrophobicContact CZ2-CB 4.2Å; W130-R503 HydrophobicContact CZ2-CG 3.78Å; W130-R503 HydrophobicContact CZ3-CG 4.47Å
131	V	94.6	Very high	89.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-45.3	177.6	176.6	0	0	0	0	110.1	E127 S128 P129 R135 P261 T369	E127-V131 HydrophobicContact CG-CG1 4.33Å; S128-V131 VanDerWaalsContact O-CB 3.31Å; S128-V131 WeakPolarHBondContact O-CB 3.49Å; S128-V131 PolarHBondContact O-N 2.85Å; S128-V131 VanDerWaalsContact O-N 3.07Å; P129-V131 PolarHBondContact O-N 3.05Å; V131-R135 WeakPolarHBondContact O-CG 3.33Å; V131-R135 PolarHBondContact O-N 3.31Å; V131-P261 HydrophobicContact CG1-CG 4.41Å; V131-T369 HydrophobicContact CG2-CG2 3.84Å
132	K	88.6	Confident	88.4	Confident	73 Å²	73	43.8 Å²	43.8	32%	0.317	24%	0.24	S	C	.	.	H	α-helix	trans	-68.8	-44.4	177.7	-66.5	178.6	-175.1	161.7	0	110.9	P129 W130 V134 R135 V136 K194	P129-K132 PolarHBondContact O-N 3.34Å; P129-K132 VanDerWaalsContact O-N 3.11Å; W130-K132 VanDerWaalsContact C-N 3.32Å; W130-K132 PolarHBondContact O-N 3.49Å; K132-V134 VanDerWaalsContact C-N 3.32Å; K132-V134 PolarHBondContact O-N 3.11Å; K132-R135 PolarHBondContact O-N 2.95Å; K132-V136 VanDerWaalsContact O-CG2 3.24Å; K132-V136 WeakPolarHBondContact O-CG2 3.21Å; K132-V136 PolarHBondContact O-N 3.13Å; K132-K194 VanDerWaalsContact NZ-CE 3.35Å
133	E	91.4	Very high	86.8	Confident	104 Å²	104	45.6 Å²	45.6	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-41.7	179.8	-68.1	175.2	-162.5	0	0	112.7	P129 W130 V136 K137	P129-E133 PolarHBondContact O-N 3.32Å; P129-E133 VanDerWaalsContact O-N 3.14Å; W130-E133 PolarHBondContact O-N 3.34Å; E133-V136 PolarHBondContact O-N 3.19Å; E133-K137 WeakPolarHBondContact O-CG 3.15Å; E133-K137 PolarHBondContact O-N 3.48Å; E133-K137 VanDerWaalsContact O-N 3.11Å
134	V	91	Very high	85.2	Confident	17 Å²	17	48.4 Å²	48.4	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-46.2	176	175.9	0	0	0	0	110.6	W130 K132 V136 K137 E138 P261 L262	W130-V134 HydrophobicContact CE3-CG2 4.35Å; W130-V134 VanDerWaalsContact O-CG2 3.28Å; W130-V134 WeakPolarHBondContact O-CG2 3.44Å; W130-V134 PolarHBondContact O-N 3.13Å; K132-V134 VanDerWaalsContact C-N 3.32Å; K132-V134 PolarHBondContact O-N 3.11Å; V134-V136 VanDerWaalsContact C-N 3.31Å; V134-V136 PolarHBondContact O-N 3.27Å; V134-K137 WeakPolarHBondContact O-CB 2.97Å; V134-K137 PolarHBondContact O-N 3.06Å; V134-K137 VanDerWaalsContact O-N 3.1Å; V134-E138 WeakPolarHBondContact O-CG 3.43Å; V134-E138 PolarHBondContact O-N 3.47Å; V134-P261 HydrophobicContact CB-CB 4.29Å; V134-P261 HydrophobicContact CB-CG 3.66Å; V134-P261 HydrophobicContact CG1-CB 3.73Å; V134-P261 HydrophobicContact CG1-CG 3.58Å; V134-P261 HydrophobicContact CG2-CG 4.47Å; V134-L262 HydrophobicContact CG1-CD2 3.96Å; V134-L262 HydrophobicContact CG2-CD2 4.06Å; V134-L262 HydrophobicContact CG2-CG 4.5Å
135	R	88.8	Confident	83.4	Confident	20 Å²	20	51.7 Å²	51.7	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-36.5	177.1	-72.5	-173.1	-167.8	141.2	12.9	113.2	L46 I49 E127 V131 K132 K137 E138 N139 N259 P261	L46-R135 HydrophobicContact CD2-CB 4.07Å; I49-R135 HydrophobicContact CD1-CB 4.16Å; E127-R135 IonicContact OE1-CZ 2.97Å; E127-R135 IonicContact OE1-NH1 3.86Å; E127-R135 PolarHBondContact OE1-NH1 3.41Å; E127-R135 IonicContact OE1-NH2 3.89Å; E127-R135 PolarHBondContact OE1-NH2 2.92Å; E127-R135 IonicContact OE2-NH1 3.19Å; E127-R135 PolarHBondContact OE2-NH1 3.4Å; V131-R135 WeakPolarHBondContact O-CG 3.33Å; V131-R135 PolarHBondContact O-N 3.31Å; K132-R135 PolarHBondContact O-N 2.95Å; R135-K137 VanDerWaalsContact C-N 3.34Å; R135-E138 PolarHBondContact O-N 3.49Å; R135-N139 WeakPolarHBondContact O-CB 3.17Å; R135-N139 PolarHBondContact O-N 3.44Å; R135-N259 PolarHBondContact NH2-ND2 3.35Å; R135-N259 PolarHBondContact NH2-O 2.87Å; R135-P261 HydrophobicContact CG-CB 4.06Å; R135-P261 HydrophobicContact CG-CG 4.36Å
136	V	86.6	Confident	80.9	Confident	75 Å²	75	59 Å²	59	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-43.4	174.1	172.8	0	0	0	0	110.4	I49 K132 E133 V134 E138 N139	I49-V136 HydrophobicContact CD1-CG2 3.83Å; I49-V136 HydrophobicContact CG1-CG2 4.37Å; I49-V136 HydrophobicContact CG2-CG2 3.83Å; K132-V136 VanDerWaalsContact O-CG2 3.24Å; K132-V136 WeakPolarHBondContact O-CG2 3.21Å; K132-V136 PolarHBondContact O-N 3.13Å; E133-V136 PolarHBondContact O-N 3.19Å; V134-V136 VanDerWaalsContact C-N 3.31Å; V134-V136 PolarHBondContact O-N 3.27Å; V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 3.36Å; V136-N139 PolarHBondContact O-N 3.44Å
137	K	86.3	Confident	78.3	Confident	158 Å²	158	64 Å²	64	69%	0.687	36%	0.355	S	S	*	.	H	α-helix	trans	-66.1	-33.8	178.1	-70.8	168.1	-175.1	168	0	112.8	E133 V134 R135	E133-K137 WeakPolarHBondContact O-CG 3.15Å; E133-K137 PolarHBondContact O-N 3.48Å; E133-K137 VanDerWaalsContact O-N 3.11Å; V134-K137 WeakPolarHBondContact O-CB 2.97Å; V134-K137 PolarHBondContact O-N 3.06Å; V134-K137 VanDerWaalsContact O-N 3.1Å; R135-K137 VanDerWaalsContact C-N 3.34Å
138	E	81.7	Confident	75.4	Confident	90 Å²	90	67.3 Å²	67.3	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-75.5	-27.1	177	-71.7	178.5	174.6	0	0	113.3	V134 R135 V136 G140	V134-E138 WeakPolarHBondContact O-CG 3.43Å; V134-E138 PolarHBondContact O-N 3.47Å; R135-E138 PolarHBondContact O-N 3.49Å; V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 3.36Å; E138-G140 PolarHBondContact O-N 2.97Å
139	N	80.4	Confident	72.3	Confident	26 Å²	26	71.1 Å²	71.1	14%	0.139	42%	0.419	C	S	.	.			trans	-81.1	103.3	-179.2	-173.1	27	0	0	0	111	V44 R135 V136 Y141	V44-N139 PolarHBondContact O-OD1 3.22Å; R135-N139 WeakPolarHBondContact O-CB 3.17Å; R135-N139 PolarHBondContact O-N 3.44Å; V136-N139 PolarHBondContact O-N 3.44Å; N139-Y141 VanDerWaalsContact C-N 3.27Å; N139-Y141 PolarHBondContact O-N 2.89Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.49Å; N139-Y141 PolarHBondContact OD1-N 3.47Å
140	G	72.9	Confident	69.2	Low	55 Å²	55	75 Å²	75	57%	0.567	43%	0.43	S	S	*	.			trans	-85.8	13.5	178.5	0	0	0	0	0	114.5	S42 E138 T142	S42-G140 PolarHBondContact O-N 2.98Å; S42-G140 VanDerWaalsContact O-N 3.12Å; E138-G140 PolarHBondContact O-N 2.97Å; G140-T142 PolarHBondContact O-N 2.82Å
141	Y	73	Confident	66.1	Low	37 Å²	37	84.6 Å²	84.6	15%	0.145	47%	0.472	C	S	.	.			trans	-65.1	128.8	-175.8	-177.8	-103.5	0	0	0	112.8	K43 P45 N139 P144	K43-Y141 VanDerWaalsContact O-CD2 3.3Å; K43-Y141 WeakPolarHBondContact O-CD2 3.42Å; P45-Y141 HydrophobicContact CB-CD1 3.78Å; P45-Y141 HydrophobicContact CB-CD2 3.92Å; P45-Y141 HydrophobicContact CB-CE1 3.77Å; P45-Y141 HydrophobicContact CB-CE2 3.91Å; P45-Y141 HydrophobicContact CB-CG 3.82Å; P45-Y141 HydrophobicContact CG-CD2 4.15Å; P45-Y141 HydrophobicContact CG-CE1 4.38Å; P45-Y141 HydrophobicContact CG-CE2 3.81Å; N139-Y141 VanDerWaalsContact C-N 3.27Å; N139-Y141 PolarHBondContact O-N 2.89Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.49Å; N139-Y141 PolarHBondContact OD1-N 3.47Å; Y141-P144 WeakPolarHBondContact OH-CD 3.5Å
142	T	66.9	Low	63.1	Low	121 Å²	121	96.1 Å²	96.1	74%	0.742	52%	0.516	S	S	*	.			trans	-112	120	168.5	54.3	0	0	0	0	109.4	G140	G140-T142 PolarHBondContact O-N 2.82Å
143	S	61.1	Low	60.3	Low	40 Å²	40	100.7 Å²	100.7	28%	0.28	54%	0.538	S	S	.	.			trans	-60.7	136.4	-179	-52	0	0	0	0	111.9	Q54 I145	Q54-S143 PolarHBondContact OE1-OG 3.28Å; S143-I145 VanDerWaalsContact C-N 3.25Å; S143-I145 PolarHBondContact O-N 3.37Å
144	P	60.1	Low	57.5	Low	85 Å²	85	103.2 Å²	103.2	55%	0.552	55%	0.554	S	S	*	*	S	Bend	trans	-73.2	-18.8	172.6	28.1	-32.1	0	0	0	112.6	P56 Y141 I146	P56-P144 HydrophobicContact CG-CG 4.41Å; Y141-P144 WeakPolarHBondContact OH-CD 3.5Å; P144-I146 PolarHBondContact O-N 3.31Å
145	I	56.3	Low	54.6	Low	70 Å²	70	108.4 Å²	108.4	36%	0.359	58%	0.581	S	S	.	*			trans	-84.5	101.3	-179.7	-53.8	-177.4	0	0	0	109.6	Q54 P56 S143 T147	Q54-I145 WeakPolarHBondContact O-CD1 3.38Å; P56-I145 HydrophobicContact CG-CD1 4.4Å; S143-I145 VanDerWaalsContact C-N 3.25Å; S143-I145 PolarHBondContact O-N 3.37Å; I145-T147 HydrophobicContact CG2-CG2 4.28Å; I145-T147 PolarHBondContact O-N 2.94Å
146	I	43.2	Very low	51.8	Low	154 Å²	154	116.9 Å²	116.9	79%	0.79	62%	0.622	S	S	*	*			trans	-80.6	98.8	164.2	-53.8	172.9	0	0	0	106.9	P144 S148	P144-I146 PolarHBondContact O-N 3.31Å; I146-S148 PolarHBondContact O-N 3Å
147	T	41.4	Very low	48.9	Very low	112 Å²	112	119 Å²	119	69%	0.687	64%	0.64	S	S	*	*			trans	-69.9	84.4	166.4	30.7	0	0	0	0	109.3	I145 G149	I145-T147 HydrophobicContact CG2-CG2 4.28Å; I145-T147 PolarHBondContact O-N 2.94Å; T147-G149 PolarHBondContact O-N 3.14Å
148	S	33.8	Very low	46.2	Very low	87 Å²	87	117.6 Å²	117.6	61%	0.608	64%	0.644	S	S	*	*			trans	-62.3	121.4	149.9	60.9	0	0	0	0	106.3	I146 Q150	I146-S148 PolarHBondContact O-N 3Å; S148-Q150 VanDerWaalsContact C-N 3.33Å; S148-Q150 PolarHBondContact O-N 2.82Å
149	G	31.6	Very low	43.7	Very low	82 Å²	82	121.9 Å²	121.9	85%	0.845	67%	0.665	S	S	*	*	S	Bend	trans	-54.7	90.5	-176.9	0	0	0	0	0	112.9	T147	T147-G149 PolarHBondContact O-N 3.14Å
150	Q	28.6	Very low	41	Very low	160 Å²	160	126.4 Å²	126.4	75%	0.748	69%	0.693	S	S	*	*			trans	-141.4	101.5	163.6	-75.1	-171.7	-24.8	0	0	106	S148 R152	S148-Q150 VanDerWaalsContact C-N 3.33Å; S148-Q150 PolarHBondContact O-N 2.82Å; Q150-R152 VanDerWaalsContact C-N 3.32Å; Q150-R152 PolarHBondContact O-N 3.19Å
151	K	29	Very low	39.1	Very low	210 Å²	210	131.6 Å²	131.6	91%	0.913	71%	0.706	S	S	*	*			trans	-50.9	102.4	161.2	-70.5	179.6	175.2	-177.5	0	106.2	H153	K151-H153 PolarHBondContact O-N 3.4Å
152	R	31.6	Very low	36.7	Very low	242 Å²	242	137.8 Å²	137.8	91%	0.913	74%	0.736	S	S	*	*			trans	-65.4	105.4	177.7	-72.9	-178	-179.3	165.9	0.1	106.8	Q150 L154	Q150-R152 VanDerWaalsContact C-N 3.32Å; Q150-R152 PolarHBondContact O-N 3.19Å; R152-L154 PolarHBondContact O-N 2.87Å; R152-L154 VanDerWaalsContact O-N 3.08Å
153	H	30.6	Very low	35	Very low	170 Å²	170	142 Å²	142	79%	0.787	74%	0.744	S	S	*	*			trans	-68.6	98.9	171.1	-165.9	-81.2	0	0	0	106.6	K151 N155	K151-H153 PolarHBondContact O-N 3.4Å; H153-N155 PolarHBondContact O-N 2.81Å
154	L	32.9	Very low	33.2	Very low	156 Å²	156	150 Å²	150	82%	0.817	77%	0.774	S	S	*	*			trans	-63.7	104.4	171.7	-174.6	72.2	0	0	0	107.4	R152	R152-L154 PolarHBondContact O-N 2.87Å; R152-L154 VanDerWaalsContact O-N 3.08Å
155	N	29	Very low	31.7	Very low	127 Å²	127	151.7 Å²	151.7	68%	0.679	79%	0.785	S	S	*	*			trans	173.9	78.9	153.2	-86.5	-14.4	0	0	0	108.2	H153	H153-N155 PolarHBondContact O-N 2.81Å
156	E	30.4	Very low	30.2	Very low	198 Å²	198	158.2 Å²	158.2	93%	0.925	81%	0.81	S	S	*	*			trans	-80.3	121.9	156.7	-86.5	-175.5	166	0	0	108.3
157	S	25.5	Very low	29.5	Very low	118 Å²	118	156 Å²	156	83%	0.825	81%	0.808	S	S	*	*			trans	-80.6	126.7	-172.7	-51.9	0	0	0	0	109.5
158	T	30.1	Very low	28.8	Very low	129 Å²	129	156.7 Å²	156.7	79%	0.791	81%	0.813	S	S	*	*			trans	-131.6	120.2	158.4	-20.9	0	0	0	0	109
159	E	29	Very low	28.4	Very low	180 Å²	180	157.3 Å²	157.3	84%	0.841	82%	0.823	S	S	*	*			trans	77.4	99.4	160	-69.9	176.4	-167.5	0	0	120.2	I161	E159-I161 PolarHBondContact O-N 2.84Å
160	V	24.8	Very low	28.1	Very low	121 Å²	121	162.2 Å²	162.2	73%	0.733	83%	0.826	S	S	*	*			trans	-55.5	111.1	167.4	-178.4	0	0	0	0	111.5
161	I	31.6	Very low	28.1	Very low	164 Å²	164	163.1 Å²	163.1	84%	0.841	83%	0.83	S	S	*	*			trans	-118.8	113.5	153.4	-61.1	-179.5	0	0	0	108.8	E159 K163	E159-I161 PolarHBondContact O-N 2.84Å; I161-K163 PolarHBondContact O-N 2.82Å
162	H	23.6	Very low	28	Very low	167 Å²	167	159.8 Å²	159.8	77%	0.773	83%	0.828	S	S	*	*			trans	-61.6	118.3	-178.3	-69.9	-79.3	0	0	0	113.6
163	K	30.1	Very low	27.8	Very low	211 Å²	211	154.8 Å²	154.8	92%	0.917	82%	0.819	S	S	*	*			trans	-143.2	133.4	140.3	-71.9	-167.2	-179.6	167.2	0	110.7	I161	I161-K163 PolarHBondContact O-N 2.82Å
164	K	24.1	Very low	28.1	Very low	208 Å²	208	152.4 Å²	152.4	90%	0.904	82%	0.819	S	S	*	*			trans	-64.8	154.6	-168	-80.2	176.3	174.2	175.8	0	114.2
165	P	29.6	Very low	28	Very low	120 Å²	120	151.2 Å²	151.2	78%	0.779	81%	0.813	S	S	*	*			trans	-93.4	141.3	-166.8	36.6	-31.7	0	0	0	112.4
166	K	24.7	Very low	28.4	Very low	207 Å²	207	153.9 Å²	153.9	90%	0.9	82%	0.822	S	S	*	*			trans	-147.2	138.9	155.3	-85.6	-172.3	178.3	177	0	109.2
167	S	27.4	Very low	28.8	Very low	107 Å²	107	151.7 Å²	151.7	75%	0.748	82%	0.815	S	S	*	*	S	Bend	trans	92.1	93.9	161.8	-171.4	0	0	0	0	117.7
168	T	27.2	Very low	29.7	Very low	126 Å²	126	152.8 Å²	152.8	77%	0.773	81%	0.805	S	S	*	*				62.1	104.2	126.3	-13.4	0	0	0	0	117.8	M170	T168-M170 PolarHBondContact O-N 2.89Å
169	A	25.8	Very low	30.7	Very low	100 Å²	100	149 Å²	149	83%	0.826	78%	0.782	S	S	*	*			trans	-49.4	103.6	163.7	0	0	0	0	0	110.5
170	M	25.7	Very low	32	Very low	185 Å²	185	147.7 Å²	147.7	91%	0.911	77%	0.77	S	S	*	*			trans	-81.1	115.9	156.6	-87.4	179.3	127.8	0	0	106.7	T168 T172	T168-M170 PolarHBondContact O-N 2.89Å; M170-T172 PolarHBondContact O-N 3.5Å
171	E	28.3	Very low	34.1	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	74%	0.741	S	S	*	*			trans	-44.7	133.5	170.6	-65.5	173.4	150.3	0	0	110.2	N173	E171-N173 PolarHBondContact O-N 2.81Å
172	T	27	Very low	36.4	Very low	141 Å²	141	136.7 Å²	136.7	87%	0.865	71%	0.706	S	S	*	*			trans	-55	100.9	174.1	5	0	0	0	0	109.2	M170 P174	M170-T172 PolarHBondContact O-N 3.5Å; T172-P174 VanDerWaalsContact O-CD 3.26Å; T172-P174 WeakPolarHBondContact O-CD 3.36Å
173	N	27.2	Very low	39.6	Very low	136 Å²	136	128.8 Å²	128.8	73%	0.727	67%	0.67	S	S	*	*			trans	-60.1	117.3	170.7	-82	-36.5	0	0	0	108.7	E171 N175	E171-N173 PolarHBondContact O-N 2.81Å; N173-N175 PolarHBondContact O-N 3.34Å
174	P	35.8	Very low	42.4	Very low	120 Å²	120	118.8 Å²	118.8	78%	0.779	63%	0.626	S	S	*	*			trans	-81.3	57.7	173.5	35.9	-32.2	0	0	0	109.1	T172 Q176	T172-P174 VanDerWaalsContact O-CD 3.26Å; T172-P174 WeakPolarHBondContact O-CD 3.36Å; P174-Q176 VanDerWaalsContact C-N 3.26Å; P174-Q176 PolarHBondContact O-N 2.82Å
175	N	31.2	Very low	45.4	Very low	131 Å²	131	109.2 Å²	109.2	70%	0.701	59%	0.585	S	S	*	*			trans	-95.4	60.4	167.2	-76.3	-7	0	0	0	108.2	N173 I177	N173-N175 PolarHBondContact O-N 3.34Å; N175-I177 VanDerWaalsContact C-N 3.27Å; N175-I177 PolarHBondContact O-N 3.24Å
176	Q	37.1	Very low	47.9	Very low	183 Å²	183	106.8 Å²	106.8	86%	0.855	57%	0.565	S	S	*	*			trans	-67	100.4	155	-75.3	-172.4	-5.1	0	0	105.5	P174 K178	P174-Q176 VanDerWaalsContact C-N 3.26Å; P174-Q176 PolarHBondContact O-N 2.82Å; Q176-K178 VanDerWaalsContact C-N 3.32Å; Q176-K178 PolarHBondContact O-N 3.09Å
177	I	39.8	Very low	50.6	Low	152 Å²	152	102.2 Å²	102.2	78%	0.779	55%	0.547	S	S	*	.			trans	-58.3	100.7	171.8	-61.4	169.3	0	0	0	105.4	N175 P179	N175-I177 VanDerWaalsContact C-N 3.27Å; N175-I177 PolarHBondContact O-N 3.24Å; I177-P179 WeakPolarHBondContact O-CD 3.38Å
178	K	44.6	Very low	53.3	Low	142 Å²	142	97.8 Å²	97.8	62%	0.617	51%	0.514	S	S	*	.			trans	-58.4	123.4	171.1	-78.6	-169.9	168.6	-158	0	106.4	Q176 R180 D192	Q176-K178 VanDerWaalsContact C-N 3.32Å; Q176-K178 PolarHBondContact O-N 3.09Å; K178-R180 PolarHBondContact O-N 3.35Å; K178-D192 IonicContact NZ-OD1 2.69Å; K178-D192 PolarHBondContact NZ-OD1 3.12Å; K178-D192 IonicContact NZ-OD2 3.26Å; K178-D192 PolarHBondContact NZ-OD2 2.83Å
179	P	50.5	Low	55.7	Low	49 Å²	49	94 Å²	94	32%	0.318	49%	0.488	S	S	.	.			trans	-57.7	131.2	175.9	22.9	-31.2	0	0	0	108.6	I177 K181 E243	I177-P179 WeakPolarHBondContact O-CD 3.38Å; P179-K181 PolarHBondContact O-N 2.83Å; P179-K181 VanDerWaalsContact O-N 3.11Å; P179-E243 HydrophobicContact CB-CB 4.11Å; P179-E243 HydrophobicContact CB-CG 4.38Å
180	R	56.8	Low	58.3	Low	152 Å²	152	95 Å²	95	57%	0.574	48%	0.479	S	S	*	.			trans	-76.5	103.7	-176	-172.7	179.1	179.8	156.8	-1.3	107.8	K178 H182 E243	K178-R180 PolarHBondContact O-N 3.35Å; R180-H182 PolarHBondContact O-CD2 3.4Å; R180-H182 PolarHBondContact O-N 3.22Å; R180-E243 WeakPolarHBondContact CA-OE1 3.48Å; R180-E243 WeakPolarHBondContact CB-OE1 3.31Å; R180-E243 VanDerWaalsContact N-CD 3.26Å; R180-E243 PolarHBondContact N-OE1 2.89Å; R180-E243 PolarHBondContact N-OE2 3.17Å; R180-E243 VanDerWaalsContact O-OE2 3.13Å
181	K	69.1	Low	60.9	Low	29 Å²	29	88.8 Å²	88.8	13%	0.126	45%	0.449	C	S	.	.			trans	-67.8	101.2	-179.1	-62.5	177.1	-175.5	-174.7	0	110.6	P179 F183 E189 N191 D192 K194	P179-K181 PolarHBondContact O-N 2.83Å; P179-K181 VanDerWaalsContact O-N 3.11Å; K181-F183 VanDerWaalsContact C-N 3.31Å; K181-F183 HydrophobicContact CB-CD2 4.19Å; K181-F183 HydrophobicContact CB-CE2 4.02Å; K181-F183 HydrophobicContact CB-CG 4.5Å; K181-F183 HydrophobicContact CB-CZ 4.2Å; K181-F183 HydrophobicContact CD-CE2 3.92Å; K181-F183 HydrophobicContact CD-CZ 4.3Å; K181-F183 HydrophobicContact CG-CE2 4.34Å; K181-F183 HydrophobicContact CG-CZ 4.38Å; K181-F183 PolarHBondContact O-N 2.95Å; K181-E189 HydrophobicContact CB-CG 4.36Å; K181-E189 WeakPolarHBondContact O-CG 3.46Å; K181-N191 PolarHBondContact NZ-O 3.42Å; K181-D192 PolarHBondContact NZ-O 3.5Å; K181-K194 WeakPolarHBondContact CD-O 3.43Å; K181-K194 WeakPolarHBondContact CE-O 3.38Å; K181-K194 PolarHBondContact NZ-O 3.06Å
182	H	79.8	Confident	63.1	Low	26 Å²	26	85.2 Å²	85.2	12%	0.12	44%	0.436	C	S	.	.			trans	-80.7	78.5	173.8	-71.9	-85.3	0	0	0	109.7	Q68 R180 H397 N399 P400	Q68-H182 PolarHBondContact NE2-O 3.09Å; Q68-H182 PolarHBondContact OE1-O 3.03Å; R180-H182 PolarHBondContact O-CD2 3.4Å; R180-H182 PolarHBondContact O-N 3.22Å; H182-H397 AromaticContact CE1-NE2 3.91Å; H182-H397 AromaticContact NE2-NE2 3.88Å; H182-N399 PolarHBondContact CE1-OD1 2.57Å; H182-N399 PolarHBondContact ND1-OD1 2.7Å; H182-P400 HydrophobicContact CB-CG 4.29Å
183	F	89.9	Confident	65.4	Low	1 Å²	1	86 Å²	86	0%	0.004	43%	0.43	C	S	.	.			trans	-103.7	154.1	174.2	-62.7	-24.3	0	0	0	112.2	V122 P123 K181 L185 E188 E189 K194 R402	V122-F183 HydrophobicContact CB-CD1 3.92Å; V122-F183 HydrophobicContact CB-CE1 3.97Å; V122-F183 HydrophobicContact CG1-CD1 3.63Å; V122-F183 HydrophobicContact CG1-CE1 3.71Å; P123-F183 HydrophobicContact CG-CZ 4.39Å; K181-F183 VanDerWaalsContact C-N 3.31Å; K181-F183 HydrophobicContact CB-CD2 4.19Å; K181-F183 HydrophobicContact CB-CE2 4.02Å; K181-F183 HydrophobicContact CB-CG 4.5Å; K181-F183 HydrophobicContact CB-CZ 4.2Å; K181-F183 HydrophobicContact CD-CE2 3.92Å; K181-F183 HydrophobicContact CD-CZ 4.3Å; K181-F183 HydrophobicContact CG-CE2 4.34Å; K181-F183 HydrophobicContact CG-CZ 4.38Å; K181-F183 PolarHBondContact O-N 2.95Å; F183-L185 VanDerWaalsContact C-N 3.27Å; F183-L185 PolarHBondContact O-N 2.8Å; F183-E188 HydrophobicContact CD2-CB 4.3Å; F183-E189 HydrophobicContact CB-CB 4.4Å; F183-K194 HydrophobicContact CE2-CB 3.65Å; F183-K194 HydrophobicContact CZ-CB 4.36Å; F183-R402 PolarHBondContact O-NH1 3.32Å; F183-R402 VanDerWaalsContact O-NH1 3.13Å
184	P	88.2	Confident	68	Low	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.398	C	S	.	.	S	Bend	trans	-65.5	-29.2	-178.1	-22.8	38	0	0	0	112.4	M66 P125 P400 R402 Q404	M66-P184 HydrophobicContact CE-CG 4.24Å; P125-P184 HydrophobicContact CB-CB 4.42Å; P125-P184 HydrophobicContact CB-CG 4.33Å; P125-P184 HydrophobicContact CG-CB 4.33Å; P125-P184 HydrophobicContact CG-CG 3.72Å; P184-P400 HydrophobicContact CB-CB 4.34Å; P184-P400 HydrophobicContact CG-CB 4.03Å; P184-R402 WeakPolarHBondContact O-CA 3.15Å; P184-R402 WeakPolarHBondContact O-CD 3.36Å; P184-R402 VanDerWaalsContact O-CZ 3.32Å; P184-R402 PolarHBondContact O-NE 2.86Å; P184-R402 PolarHBondContact O-NH1 3.31Å; P184-Q404 HydrophobicContact CB-CB 4.47Å; P184-Q404 WeakPolarHBondContact CB-O 3.42Å; P184-Q404 HydrophobicContact CG-CB 4.47Å; P184-Q404 WeakPolarHBondContact CG-O 3.43Å
185	L	88.1	Confident	70.4	Confident	8 Å²	8	77.1 Å²	77.1	4%	0.042	37%	0.374	C	S	.	.	S	Bend	trans	-111.8	135.7	-178	-62.8	-176.7	0	0	0	112.3	P125 F183 E187 E188 E189 A372 L405	P125-L185 HydrophobicContact CB-CD1 4.34Å; P125-L185 HydrophobicContact CB-CG 4.42Å; F183-L185 VanDerWaalsContact C-N 3.27Å; F183-L185 PolarHBondContact O-N 2.8Å; L185-E187 HydrophobicContact CB-CG 4.41Å; L185-E188 HydrophobicContact CB-CB 4.22Å; L185-E188 HydrophobicContact CB-CG 3.82Å; L185-E188 HydrophobicContact CD1-CG 4.43Å; L185-E188 WeakPolarHBondContact O-CB 3.43Å; L185-E188 PolarHBondContact O-N 2.89Å; L185-E189 PolarHBondContact O-N 3.09Å; L185-A372 HydrophobicContact CD2-CB 4.38Å; L185-L405 HydrophobicContact CD2-CD2 4.32Å
186	I	81.7	Confident	73.2	Confident	69 Å²	69	71 Å²	71	35%	0.354	34%	0.342	S	S	.	.	H	α-helix	trans	-70.5	-41.9	-170.5	-65.5	177.1	0	0	0	110.6	E188 E189 N190 P385 R402	I186-E188 PolarHBondContact O-N 3.22Å; I186-E189 PolarHBondContact O-N 2.99Å; I186-N190 PolarHBondContact O-N 2.8Å; I186-N190 PolarHBondContact O-ND2 2.85Å; I186-P385 HydrophobicContact CD1-CB 4.33Å; I186-P385 HydrophobicContact CD1-CG 3.93Å; I186-R402 VanDerWaalsContact CG1-CZ 3.46Å; I186-R402 VanDerWaalsContact CG1-NH1 3.31Å; I186-R402 VanDerWaalsContact N-NH1 3.12Å
187	E	82.2	Confident	75.8	Confident	111 Å²	111	62.4 Å²	62.4	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-57.3	-28.8	175	57.4	-84.1	-166.3	0	0	112.2	L185	L185-E187 HydrophobicContact CB-CG 4.41Å
188	E	83.4	Confident	78.3	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.065	27%	0.272	C	S	.	.	H	α-helix	trans	-86.1	-37.2	177.3	-57.9	-164.6	155.5	0	0	112.6	G126 F183 L185 I186 N190 N191 K194	G126-E188 PolarHBondContact N-OE1 3.44Å; F183-E188 HydrophobicContact CD2-CB 4.3Å; L185-E188 HydrophobicContact CB-CB 4.22Å; L185-E188 HydrophobicContact CB-CG 3.82Å; L185-E188 HydrophobicContact CD1-CG 4.43Å; L185-E188 WeakPolarHBondContact O-CB 3.43Å; L185-E188 PolarHBondContact O-N 2.89Å; I186-E188 PolarHBondContact O-N 3.22Å; E188-N190 VanDerWaalsContact C-N 3.26Å; E188-N190 PolarHBondContact O-N 2.87Å; E188-N191 WeakPolarHBondContact O-CB 3.24Å; E188-N191 PolarHBondContact O-N 3.05Å; E188-N191 VanDerWaalsContact O-N 3.09Å; E188-K194 HydrophobicContact CB-CD 3.84Å; E188-K194 HydrophobicContact CG-CD 4.27Å; E188-K194 IonicContact OE1-NZ 2.85Å; E188-K194 PolarHBondContact OE1-NZ 3.2Å; E188-K194 IonicContact OE2-NZ 3.16Å; E188-K194 PolarHBondContact OE2-NZ 3.37Å
189	E	77	Confident	80.7	Confident	47 Å²	47	49.8 Å²	49.8	22%	0.22	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-39.4	172.3	170.5	169	-167.5	0	0	111.1	K181 F183 L185 I186 N191 R402	K181-E189 HydrophobicContact CB-CG 4.36Å; K181-E189 WeakPolarHBondContact O-CG 3.46Å; F183-E189 HydrophobicContact CB-CB 4.4Å; L185-E189 PolarHBondContact O-N 3.09Å; I186-E189 PolarHBondContact O-N 2.99Å; E189-N191 VanDerWaalsContact C-N 3.25Å; E189-N191 PolarHBondContact O-N 2.86Å; E189-R402 IonicContact OE2-NH1 3.04Å; E189-R402 IonicContact OE2-NH2 2.83Å; E189-R402 PolarHBondContact OE2-NH2 2.88Å
190	N	80.1	Confident	82.9	Confident	119 Å²	119	47.5 Å²	47.5	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.4	176.3	-68.6	-35.3	0	0	0	114.1	I186 E188 D192	I186-N190 PolarHBondContact O-N 2.8Å; I186-N190 PolarHBondContact O-ND2 2.85Å; E188-N190 VanDerWaalsContact C-N 3.26Å; E188-N190 PolarHBondContact O-N 2.87Å; N190-D192 PolarHBondContact O-N 3.42Å
191	N	80.3	Confident	84.7	Confident	56 Å²	56	40.9 Å²	40.9	30%	0.299	21%	0.205	S	C	.	.			trans	-83.1	105.7	179.7	-171.3	-25	0	0	0	110.3	K181 E188 E189 Q193 K194	K181-N191 PolarHBondContact NZ-O 3.42Å; E188-N191 WeakPolarHBondContact O-CB 3.24Å; E188-N191 PolarHBondContact O-N 3.05Å; E188-N191 VanDerWaalsContact O-N 3.09Å; E189-N191 VanDerWaalsContact C-N 3.25Å; E189-N191 PolarHBondContact O-N 2.86Å; N191-Q193 PolarHBondContact O-N 3.04Å; N191-Q193 VanDerWaalsContact O-N 3.11Å; N191-Q193 VanDerWaalsContact OD1-CB 3.32Å; N191-Q193 WeakPolarHBondContact OD1-CB 3.18Å; N191-Q193 PolarHBondContact OD1-N 3.14Å; N191-K194 HydrophobicContact CB-CB 4.4Å; N191-K194 HydrophobicContact CB-CG 4.27Å; N191-K194 PolarHBondContact O-N 2.58Å; N191-K194 VanDerWaalsContact O-N 3.08Å
192	D	74.4	Confident	85.8	Confident	103 Å²	103	39.7 Å²	39.7	55%	0.551	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.3	-180	-82.4	-26.2	0	0	0	113	K178 K181 N190	K178-D192 IonicContact NZ-OD1 2.69Å; K178-D192 PolarHBondContact NZ-OD1 3.12Å; K178-D192 IonicContact NZ-OD2 3.26Å; K178-D192 PolarHBondContact NZ-OD2 2.83Å; K181-D192 PolarHBondContact NZ-O 3.5Å; N190-D192 PolarHBondContact O-N 3.42Å
193	Q	76.3	Confident	86.1	Confident	157 Å²	157	42.7 Å²	42.7	73%	0.734	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.9	178.6	-60.1	178.6	-20.7	0	0	114.1	N191	N191-Q193 PolarHBondContact O-N 3.04Å; N191-Q193 VanDerWaalsContact O-N 3.11Å; N191-Q193 VanDerWaalsContact OD1-CB 3.32Å; N191-Q193 WeakPolarHBondContact OD1-CB 3.18Å; N191-Q193 PolarHBondContact OD1-N 3.14Å
194	K	82.5	Confident	85.4	Confident	15 Å²	15	45.5 Å²	45.5	7%	0.065	23%	0.234	C	C	.	.			trans	-83.6	123.7	179	-77.5	-165.2	175.1	-146	0	110.2	P123 K132 K181 F183 E188 N191	P123-K194 HydrophobicContact CB-CD 4.12Å; P123-K194 HydrophobicContact CB-CG 4.4Å; P123-K194 HydrophobicContact CG-CB 4.07Å; P123-K194 HydrophobicContact CG-CD 4.31Å; P123-K194 HydrophobicContact CG-CG 4.22Å; K132-K194 VanDerWaalsContact NZ-CE 3.35Å; K181-K194 WeakPolarHBondContact CD-O 3.43Å; K181-K194 WeakPolarHBondContact CE-O 3.38Å; K181-K194 PolarHBondContact NZ-O 3.06Å; F183-K194 HydrophobicContact CE2-CB 3.65Å; F183-K194 HydrophobicContact CZ-CB 4.36Å; E188-K194 HydrophobicContact CB-CD 3.84Å; E188-K194 HydrophobicContact CG-CD 4.27Å; E188-K194 IonicContact OE1-NZ 2.85Å; E188-K194 PolarHBondContact OE1-NZ 3.2Å; E188-K194 IonicContact OE2-NZ 3.16Å; E188-K194 PolarHBondContact OE2-NZ 3.37Å; N191-K194 HydrophobicContact CB-CB 4.4Å; N191-K194 HydrophobicContact CB-CG 4.27Å; N191-K194 PolarHBondContact O-N 2.58Å; N191-K194 VanDerWaalsContact O-N 3.08Å
195	I	85.7	Confident	84.9	Confident	55 Å²	55	46.7 Å²	46.7	28%	0.282	24%	0.241	S	C	.	.			trans	-131.7	138.9	179.7	-58.7	174.2	0	0	0	108.1	F47 P246	F47-I195 WeakPolarHBondContact CE1-O 3.39Å; I195-P246 HydrophobicContact CG2-CG 4.1Å
196	G	89.6	Confident	84.3	Confident	2 Å²	2	55.2 Å²	55.2	2%	0.021	28%	0.281	C	S	.	.			trans	-88	160.3	170.4	0	0	0	0	0	111.1	I121	I121-G196 CarbonylContact O-C 3.56Å; I121-G196 WeakPolarHBondContact O-CA 3.35Å
197	A	92.1	Very high	84.3	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.5	179.1	0	0	0	0	0	111.1	F47 I121 L199 P246 V248	F47-A197 HydrophobicContact CE1-CB 4.15Å; F47-A197 HydrophobicContact CE2-CB 4.47Å; F47-A197 HydrophobicContact CZ-CB 3.88Å; I121-A197 PolarHBondContact N-O 3.45Å; I121-A197 PolarHBondContact O-N 3.36Å; A197-L199 PolarHBondContact O-N 3.44Å; A197-P246 CarbonylContact C-O 3.52Å; A197-P246 VanDerWaalsContact CA-O 3.3Å; A197-P246 WeakPolarHBondContact CA-O 3.36Å; A197-P246 HydrophobicContact CB-CG 4.24Å; A197-V248 HydrophobicContact CB-CG2 4.18Å
198	L	93.1	Very high	84.6	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.141	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110	169.4	-171.3	70	0	0	0	108.8	F71 F119 P246 R247 V248	F71-L198 HydrophobicContact CD2-CD1 3.98Å; F71-L198 HydrophobicContact CE2-CD1 3.71Å; F119-L198 CarbonylContact O-C 3.57Å; L198-P246 PolarHBondContact N-O 3.26Å; L198-R247 HydrophobicContact CB-CG 4.21Å; L198-R247 HydrophobicContact CD2-CG 4.34Å; L198-R247 CarbonylContact O-C 3.49Å; L198-R247 VanDerWaalsContact O-CA 3.25Å; L198-R247 WeakPolarHBondContact O-CA 3.38Å; L198-V248 PolarHBondContact O-N 2.77Å
199	L	95.1	Very high	85	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.1	176.9	-175.5	75.8	0	0	0	110.2	S118 F119 I121 A197 V201 L209 V217 V248 A250 I253	S118-L199 CarbonylContact C-O 3.49Å; S118-L199 WeakPolarHBondContact CA-O 3.4Å; F119-L199 HydrophobicContact CB-CB 4.28Å; F119-L199 PolarHBondContact N-O 3.28Å; F119-L199 PolarHBondContact O-N 2.91Å; I121-L199 HydrophobicContact CD1-CB 4.33Å; I121-L199 HydrophobicContact CD1-CD2 4.11Å; I121-L199 HydrophobicContact CG1-CB 3.52Å; I121-L199 HydrophobicContact CG1-CD2 3.98Å; I121-L199 HydrophobicContact CG1-CG 4.3Å; A197-L199 PolarHBondContact O-N 3.44Å; L199-V201 HydrophobicContact CD2-CG2 3.82Å; L199-V201 HydrophobicContact CG-CG2 4.04Å; L199-L209 HydrophobicContact CD2-CD1 4.2Å; L199-V217 HydrophobicContact CD1-CB 4.21Å; L199-V217 HydrophobicContact CD1-CG1 3.67Å; L199-V217 HydrophobicContact CD1-CG2 4.1Å; L199-V217 HydrophobicContact CD2-CG2 3.88Å; L199-V248 CarbonylContact C-O 3.56Å; L199-V248 WeakPolarHBondContact CA-O 3.49Å; L199-V248 HydrophobicContact CD1-CB 4.08Å; L199-V248 HydrophobicContact CD1-CG1 4Å; L199-V248 WeakPolarHBondContact CD1-O 3.39Å; L199-A250 HydrophobicContact CD1-CB 4.02Å; L199-A250 HydrophobicContact CG-CB 4.37Å; L199-I253 HydrophobicContact CD2-CD1 4.33Å
200	R	94.9	Very high	85.7	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.5	173.2	-57.7	-67.8	-164.2	164.5	4.4	109.1	E74 D96 S118 Y202 E238 V248 A250	E74-R200 IonicContact OE1-NH1 2.73Å; E74-R200 PolarHBondContact OE1-NH1 2.67Å; E74-R200 IonicContact OE2-CZ 3.62Å; E74-R200 IonicContact OE2-NH1 3.91Å; E74-R200 PolarHBondContact OE2-NH1 3.05Å; D96-R200 IonicContact OD1-CZ 3.37Å; D96-R200 IonicContact OD1-NE 3.68Å; D96-R200 IonicContact OD1-NH2 2.57Å; D96-R200 IonicContact OD2-CZ 3.89Å; D96-R200 IonicContact OD2-NE 3.8Å; D96-R200 IonicContact OD2-NH2 3.96Å; D96-R200 PolarHBondContact OD2-NH2 2.84Å; S118-R200 WeakPolarHBondContact OG-CD 3.35Å; S118-R200 PolarHBondContact OG-NH1 3.38Å; R200-Y202 HydrophobicContact CB-CE2 4.15Å; R200-E238 IonicContact NH2-OE2 2.87Å; R200-V248 PolarHBondContact N-O 2.85Å; R200-A250 VanDerWaalsContact O-CB 3.27Å; R200-A250 WeakPolarHBondContact O-CB 3.35Å; R200-A250 PolarHBondContact O-N 3.47Å
201	V	94.9	Very high	86.2	Confident	13 Å²	13	57.6 Å²	57.6	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.2	179.3	-175.8	0	0	0	0	108.8	R116 Q117 F119 L199 V205 L209 A250 I253	R116-V201 CarbonylContact C-O 3.55Å; R116-V201 WeakPolarHBondContact CA-O 3.24Å; R116-V201 WeakPolarHBondContact CB-O 3.48Å; Q117-V201 PolarHBondContact N-O 3.1Å; Q117-V201 PolarHBondContact O-N 3.37Å; F119-V201 HydrophobicContact CD2-CB 4.25Å; F119-V201 HydrophobicContact CD2-CG2 3.59Å; F119-V201 HydrophobicContact CE2-CB 3.86Å; F119-V201 HydrophobicContact CE2-CG2 3.61Å; L199-V201 HydrophobicContact CD2-CG2 3.82Å; L199-V201 HydrophobicContact CG-CG2 4.04Å; V201-V205 HydrophobicContact CG1-CB 3.87Å; V201-V205 HydrophobicContact CG1-CG1 4.2Å; V201-V205 HydrophobicContact CG1-CG2 4.23Å; V201-L209 HydrophobicContact CG2-CD1 4.23Å; V201-A250 HydrophobicContact CG2-CB 4.3Å; V201-I253 HydrophobicContact CB-CD1 4.26Å; V201-I253 HydrophobicContact CG1-CD1 3.75Å; V201-I253 HydrophobicContact CG2-CD1 3.55Å
202	Y	93.6	Very high	86.9	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	153.7	-178	-65.1	-92.6	0	0	0	110.2	F76 R93 Y94 R116 R200 T204 V205 H249	F76-Y202 HydrophobicContact CD1-CD1 4.3Å; F76-Y202 HydrophobicContact CD1-CE1 4.24Å; F76-Y202 HydrophobicContact CD2-CE1 4.44Å; F76-Y202 AromaticContact CE1-CD1 3.55Å; F76-Y202 HydrophobicContact CE1-CD1 3.55Å; F76-Y202 AromaticContact CE1-CE1 3.9Å; F76-Y202 HydrophobicContact CE1-CE1 3.9Å; F76-Y202 HydrophobicContact CE2-CD1 4.2Å; F76-Y202 HydrophobicContact CE2-CE1 4.11Å; F76-Y202 AromaticContact CZ-CD1 3.51Å; F76-Y202 HydrophobicContact CZ-CD1 3.51Å; F76-Y202 AromaticContact CZ-CE1 3.84Å; F76-Y202 HydrophobicContact CZ-CE1 3.84Å; R93-Y202 HydrophobicContact CB-CE1 4.49Å; R93-Y202 HydrophobicContact CG-CD1 3.7Å; R93-Y202 HydrophobicContact CG-CE1 3.83Å; R93-Y202 HydrophobicContact CG-CG 4.17Å; Y94-Y202 VanDerWaalsContact CA-OH 3.23Å; Y94-Y202 WeakPolarHBondContact CA-OH 3.19Å; Y94-Y202 AromaticContact CD1-CD2 3.6Å; Y94-Y202 HydrophobicContact CD1-CD2 3.6Å; Y94-Y202 AromaticContact CD1-CE2 3.48Å; Y94-Y202 HydrophobicContact CD1-CE2 3.48Å; Y94-Y202 VanDerWaalsContact CD1-CE2 3.48Å; Y94-Y202 HydrophobicContact CD1-CG 4.35Å; Y94-Y202 AromaticContact CE1-CD2 3.63Å; Y94-Y202 HydrophobicContact CE1-CD2 3.63Å; Y94-Y202 HydrophobicContact CE1-CE2 4.03Å; Y94-Y202 HydrophobicContact CE1-CG 4.12Å; Y94-Y202 HydrophobicContact CG-CE2 4.43Å; Y94-Y202 PolarHBondContact N-OH 3.49Å; R116-Y202 HydrophobicContact CB-CD1 3.9Å; R116-Y202 HydrophobicContact CB-CE1 4.02Å; R116-Y202 HydrophobicContact CB-CG 4.41Å; R200-Y202 HydrophobicContact CB-CE2 4.15Å; Y202-T204 PolarHBondContact O-N 3.4Å; Y202-V205 WeakPolarHBondContact O-CB 3.29Å; Y202-V205 PolarHBondContact O-N 3.43Å; Y202-H249 HydrophobicContact CE2-CB 4.14Å; Y202-H249 AromaticContact CE2-ND1 3.8Å; Y202-H249 AromaticContact CZ-ND1 3.7Å; Y202-H249 PolarHBondContact OH-CE1 2.94Å; Y202-H249 PolarHBondContact OH-ND1 3.41Å
203	D	85	Confident	87.8	Confident	89 Å²	89	51.8 Å²	51.8	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-25.8	173.9	67.5	-35.1	0	0	0	114.6	S114 E115 V205	S114-D203 PolarHBondContact OG-OD1 3.33Å; S114-D203 PolarHBondContact OG-OD2 3.1Å; E115-D203 PolarHBondContact O-N 3.31Å; D203-V205 PolarHBondContact O-N 3.48Å
204	T	76.3	Confident	88.8	Confident	60 Å²	60	44.7 Å²	44.7	37%	0.368	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.5	174.2	56.7	0	0	0	0	113.6	Y202	Y202-T204 PolarHBondContact O-N 3.4Å
205	V	77.9	Confident	89.4	Confident	25 Å²	25	44 Å²	44	15%	0.152	22%	0.222	C	C	.	.			trans	-89.2	116.4	179	-176	0	0	0	0	109.6	V201 Y202 D203 T207 I253	V201-V205 HydrophobicContact CG1-CB 3.87Å; V201-V205 HydrophobicContact CG1-CG1 4.2Å; V201-V205 HydrophobicContact CG1-CG2 4.23Å; Y202-V205 WeakPolarHBondContact O-CB 3.29Å; Y202-V205 PolarHBondContact O-N 3.43Å; D203-V205 PolarHBondContact O-N 3.48Å; V205-T207 VanDerWaalsContact C-N 3.26Å; V205-T207 PolarHBondContact O-N 3.17Å; V205-I253 HydrophobicContact CG1-CB 4.19Å; V205-I253 HydrophobicContact CG1-CD1 3.87Å; V205-I253 HydrophobicContact CG1-CG1 4.05Å
206	Q	75.2	Confident	89.8	Confident	188 Å²	188	42.6 Å²	42.6	88%	0.879	21%	0.214	S	C	*	.			trans	-76.3	-11.5	-176.9	-63.1	178.3	4.6	0	0	113.9	Q208	Q206-Q208 PolarHBondContact O-N 3.29Å
207	T	81.4	Confident	90.1	Very high	49 Å²	49	42.5 Å²	42.5	30%	0.301	21%	0.213	S	C	.	.			trans	-79.2	114.9	-174.7	-49.8	0	0	0	0	110.9	V205 L209 I253	V205-T207 VanDerWaalsContact C-N 3.26Å; V205-T207 PolarHBondContact O-N 3.17Å; T207-L209 HydrophobicContact CG2-CD2 4.05Å; T207-I253 HydrophobicContact CG2-CG2 4.46Å; T207-I253 PolarHBondContact OG1-O 3.31Å
208	Q	87.1	Confident	90.3	Very high	175 Å²	175	43.1 Å²	43.1	82%	0.818	22%	0.215	S	C	*	.			trans	-78.7	124.4	170.2	-66.9	-177.7	-3.6	0	0	110.1	Q206	Q206-Q208 PolarHBondContact O-N 3.29Å
209	L	91.9	Very high	90.4	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	21%	0.208	C	C	.	.			trans	-98.2	139.9	177.9	-61.5	-174.9	0	0	0	110.9	V67 M70 F119 L199 V201 T207 V215 I253	V67-L209 HydrophobicContact CG2-CB 4.41Å; V67-L209 HydrophobicContact CG2-CD1 4.29Å; M70-L209 WeakPolarHBondContact CE-O 3.48Å; F119-L209 HydrophobicContact CD1-CB 4.17Å; F119-L209 HydrophobicContact CD1-CD1 4.29Å; F119-L209 HydrophobicContact CD2-CD1 4.46Å; F119-L209 HydrophobicContact CE1-CB 3.62Å; F119-L209 HydrophobicContact CE1-CD1 4.29Å; F119-L209 HydrophobicContact CE1-CG 4.48Å; F119-L209 HydrophobicContact CE2-CD1 4.47Å; F119-L209 HydrophobicContact CG-CD1 4.39Å; F119-L209 HydrophobicContact CZ-CB 4.05Å; F119-L209 HydrophobicContact CZ-CD1 4.39Å; L199-L209 HydrophobicContact CD2-CD1 4.2Å; V201-L209 HydrophobicContact CG2-CD1 4.23Å; T207-L209 HydrophobicContact CG2-CD2 4.05Å; L209-V215 HydrophobicContact CD1-CG1 4.36Å; L209-V215 HydrophobicContact CD2-CG1 3.48Å; L209-V215 VanDerWaalsContact CD2-CG1 3.48Å; L209-I253 HydrophobicContact CD1-CD1 4.28Å; L209-I253 HydrophobicContact CD1-CG2 4.44Å; L209-I253 HydrophobicContact CD2-CG2 3.98Å
210	K	92.1	Very high	90.4	Very high	141 Å²	141	41.8 Å²	41.8	61%	0.613	21%	0.208	S	C	*	.			trans	-115	162.8	173.2	-59.9	176.5	-177.6	174.9	0	110.7	V67 D213	V67-K210 WeakPolarHBondContact CB-O 3.41Å; K210-D213 WeakPolarHBondContact CB-OD2 3.41Å; K210-D213 PolarHBondContact N-OD2 3.22Å; K210-D213 WeakPolarHBondContact O-CB 3.16Å; K210-D213 PolarHBondContact O-N 3.47Å
211	I	91.6	Very high	90.4	Very high	34 Å²	34	41.7 Å²	41.7	17%	0.174	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	139	171.5	-69.1	169.4	0	0	0	109.4	M70 D213 Y445 W454	M70-I211 HydrophobicContact CG-CG1 3.89Å; M70-I211 HydrophobicContact SD-CD1 4.47Å; M70-I211 HydrophobicContact SD-CG1 3.78Å; I211-D213 PolarHBondContact O-N 2.94Å; I211-Y445 HydrophobicContact CG2-CE1 4.08Å; I211-W454 HydrophobicContact CB-CZ3 4.36Å; I211-W454 HydrophobicContact CD1-CE3 4.43Å; I211-W454 HydrophobicContact CD1-CH2 3.45Å; I211-W454 VanDerWaalsContact CD1-CH2 3.45Å; I211-W454 HydrophobicContact CD1-CZ2 4.5Å; I211-W454 HydrophobicContact CD1-CZ3 3.41Å; I211-W454 VanDerWaalsContact CD1-CZ3 3.41Å; I211-W454 HydrophobicContact CG1-CZ3 4.46Å; I211-W454 HydrophobicContact CG2-CZ3 4.22Å
212	N	93.7	Very high	90.2	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.08	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	2.2	-176.9	-49.3	-24.9	0	0	0	115.6	M66 V67 I214 Q404 Y445	M66-N212 HydrophobicContact SD-CB 4.35Å; V67-N212 WeakPolarHBondContact O-CA 3.22Å; V67-N212 PolarHBondContact O-N 3.47Å; N212-I214 PolarHBondContact O-N 2.8Å; N212-Q404 WeakPolarHBondContact OD1-CG 3.3Å; N212-Q404 PolarHBondContact OD1-NE2 2.9Å; N212-Y445 PolarHBondContact ND2-OH 3.26Å; N212-Y445 PolarHBondContact OD1-OH 3.3Å
213	D	94.9	Very high	89.9	Confident	22 Å²	22	44 Å²	44	12%	0.118	22%	0.217	C	C	.	.			trans	-64.1	135.6	171.2	-75.1	-10.2	0	0	0	109.8	M66 V67 K210 I211 V215	M66-D213 CarbonylContact C-O 3.55Å; M66-D213 WeakPolarHBondContact CA-O 3.36Å; V67-D213 HydrophobicContact CG2-CB 4.44Å; V67-D213 PolarHBondContact N-O 2.91Å; K210-D213 WeakPolarHBondContact CB-OD2 3.41Å; K210-D213 PolarHBondContact N-OD2 3.22Å; K210-D213 WeakPolarHBondContact O-CB 3.16Å; K210-D213 PolarHBondContact O-N 3.47Å; I211-D213 PolarHBondContact O-N 2.94Å; D213-V215 HydrophobicContact CB-CG1 4.48Å
214	I	96.1	Very high	89.4	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.7	166.2	-58.8	166.9	0	0	0	107.7	V64 G65 V124 N212 L256 N259 P406	V64-I214 HydrophobicContact CG1-CG2 4.47Å; G65-I214 WeakPolarHBondContact O-CA 3.48Å; V124-I214 HydrophobicContact CG1-CD1 3.89Å; V124-I214 HydrophobicContact CG1-CG1 4.15Å; V124-I214 HydrophobicContact CG2-CG1 4.36Å; V124-I214 HydrophobicContact CG2-CG2 3.89Å; N212-I214 PolarHBondContact O-N 2.8Å; I214-L256 HydrophobicContact CB-CB 4.39Å; I214-L256 HydrophobicContact CG2-CB 4.27Å; I214-L256 HydrophobicContact CG2-CD1 4.14Å; I214-L256 PolarHBondContact O-N 3.39Å; I214-N259 HydrophobicContact CD1-CB 4.13Å; I214-N259 HydrophobicContact CG2-CB 4.05Å; I214-P406 HydrophobicContact CD1-CB 3.52Å; I214-P406 HydrophobicContact CD1-CG 4.29Å; I214-P406 HydrophobicContact CG1-CB 3.72Å
215	V	95.5	Very high	88.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.4	-179.8	-64.1	0	0	0	0	110.9	V64 G65 V67 I121 L209 D213 V217 I253 H254	V64-V215 WeakPolarHBondContact CA-O 3.46Å; G65-V215 PolarHBondContact N-O 3.04Å; G65-V215 PolarHBondContact O-N 3.37Å; V67-V215 HydrophobicContact CG2-CG1 4.24Å; V67-V215 HydrophobicContact CG2-CG2 4.34Å; I121-V215 HydrophobicContact CD1-CG2 4.08Å; L209-V215 HydrophobicContact CD1-CG1 4.36Å; L209-V215 HydrophobicContact CD2-CG1 3.48Å; L209-V215 VanDerWaalsContact CD2-CG1 3.48Å; D213-V215 HydrophobicContact CB-CG1 4.48Å; V215-V217 HydrophobicContact CB-CG2 4.21Å; V215-V217 HydrophobicContact CG2-CG2 3.91Å; V215-I253 HydrophobicContact CB-CG2 4.32Å; V215-I253 HydrophobicContact CG1-CG2 4.3Å; V215-H254 WeakPolarHBondContact CA-O 3.39Å
216	E	94.5	Very high	87	Confident	24 Å²	24	49.1 Å²	49.1	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.1	159.6	174.3	-177.2	-117.1	0	0	108.8	R62 V63 V64 Y218 I253 H254 L256	R62-E216 HydrophobicContact CG-CG 4.48Å; R62-E216 IonicContact CZ-OE1 3.07Å; R62-E216 IonicContact NE-OE1 3.22Å; R62-E216 PolarHBondContact NE-OE1 3.48Å; R62-E216 IonicContact NH2-OE1 2.98Å; R62-E216 PolarHBondContact NH2-OE1 3.21Å; V63-E216 CarbonylContact O-C 3.42Å; V63-E216 VanDerWaalsContact O-CA 3.29Å; V63-E216 WeakPolarHBondContact O-CA 3.42Å; V64-E216 HydrophobicContact CG2-CB 4.29Å; V64-E216 HydrophobicContact CG2-CG 4.22Å; E216-Y218 HydrophobicContact CG-CE2 4.12Å; E216-I253 WeakPolarHBondContact O-CA 3.28Å; E216-H254 HydrophobicContact CB-CB 4.34Å; E216-H254 PolarHBondContact N-O 3.46Å; E216-H254 PolarHBondContact O-N 3.03Å; E216-H254 IonicContact OE2-CE1 3.18Å; E216-H254 IonicContact OE2-CG 3.05Å; E216-H254 IonicContact OE2-ND1 2.75Å; E216-H254 PolarHBondContact OE2-ND1 3.13Å; E216-L256 HydrophobicContact CB-CD1 3.98Å; E216-L256 HydrophobicContact CB-CD2 4.31Å; E216-L256 HydrophobicContact CB-CG 4.22Å
217	V	95.7	Very high	85.3	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.4	-178.3	-175.2	0	0	0	0	110.3	R62 V63 L199 V215 A250 I252 I253	R62-V217 CarbonylContact C-O 3.56Å; R62-V217 WeakPolarHBondContact CA-O 3.4Å; V63-V217 HydrophobicContact CB-CB 4.36Å; V63-V217 PolarHBondContact N-O 2.86Å; V63-V217 PolarHBondContact O-N 3.4Å; L199-V217 HydrophobicContact CD1-CB 4.21Å; L199-V217 HydrophobicContact CD1-CG1 3.67Å; L199-V217 HydrophobicContact CD1-CG2 4.1Å; L199-V217 HydrophobicContact CD2-CG2 3.88Å; V215-V217 HydrophobicContact CB-CG2 4.21Å; V215-V217 HydrophobicContact CG2-CG2 3.91Å; V217-A250 HydrophobicContact CG1-CB 3.91Å; V217-I252 WeakPolarHBondContact CA-O 3.48Å; V217-I253 HydrophobicContact CG1-CG1 4.21Å; V217-I253 HydrophobicContact CG2-CG1 4.19Å; V217-I253 HydrophobicContact CG2-CG2 4.2Å
218	Y	95.5	Very high	83.3	Confident	15 Å²	15	50.2 Å²	50.2	6%	0.059	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.2	160.5	-65.6	-90.4	0	0	0	107.7	L37 V44 V61 R62 E216 L251 I252	L37-Y218 HydrophobicContact CD1-CD1 3.81Å; L37-Y218 HydrophobicContact CD1-CD2 3.98Å; L37-Y218 HydrophobicContact CD1-CE1 4.33Å; L37-Y218 HydrophobicContact CD1-CE2 4.49Å; L37-Y218 HydrophobicContact CD1-CG 3.61Å; L37-Y218 HydrophobicContact CD2-CD1 3.6Å; L37-Y218 HydrophobicContact CD2-CE1 3.72Å; L37-Y218 HydrophobicContact CD2-CG 4.28Å; L37-Y218 HydrophobicContact CG-CD1 4.37Å; V44-Y218 HydrophobicContact CB-CE1 4.42Å; V44-Y218 HydrophobicContact CG1-CD1 4.28Å; V44-Y218 HydrophobicContact CG1-CE1 4.47Å; V44-Y218 HydrophobicContact CG2-CE1 4.43Å; V61-Y218 WeakPolarHBondContact O-CA 3.19Å; R62-Y218 HydrophobicContact CB-CD1 4.09Å; R62-Y218 HydrophobicContact CB-CE1 3.82Å; R62-Y218 HydrophobicContact CG-CD1 4.27Å; R62-Y218 HydrophobicContact CG-CE1 3.73Å; R62-Y218 PolarHBondContact NE-OH 3.01Å; E216-Y218 HydrophobicContact CG-CE2 4.12Å; Y218-L251 WeakPolarHBondContact O-CB 3.49Å; Y218-L251 PolarHBondContact O-N 3.43Å; Y218-I252 PolarHBondContact N-O 2.99Å; Y218-I252 PolarHBondContact O-N 3.33Å; Y218-I252 VanDerWaalsContact O-N 3.11Å
219	G	95.8	Very high	80.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	165.7	-173.2	0	0	0	0	0	113.1	V61 H249	V61-G219 WeakPolarHBondContact CG2-O 3.33Å; V61-G219 PolarHBondContact N-O 3.36Å; V61-G219 PolarHBondContact O-N 3.22Å; G219-H249 CarbonylContact C-O 3.56Å; G219-H249 WeakPolarHBondContact CA-O 3.36Å
220	I	95.5	Very high	78.1	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.3	-179.9	-52.4	-176.2	0	0	0	108	P10 L11 Y94 V248 H249 L251	P10-I220 HydrophobicContact CB-CD1 3.8Å; P10-I220 HydrophobicContact CB-CG1 4.13Å; P10-I220 HydrophobicContact CG-CD1 3.81Å; P10-I220 HydrophobicContact CG-CG1 3.75Å; P10-I220 HydrophobicContact CG-CG2 4.24Å; L11-I220 HydrophobicContact CD1-CG2 4.03Å; L11-I220 HydrophobicContact CD2-CD1 3.47Å; L11-I220 VanDerWaalsContact CD2-CD1 3.47Å; L11-I220 HydrophobicContact CG-CD1 3.7Å; L11-I220 HydrophobicContact CG-CG2 3.95Å; Y94-I220 HydrophobicContact CG-CD1 4.44Å; I220-V248 WeakPolarHBondContact O-CA 3.48Å; I220-H249 HydrophobicContact CB-CB 4.31Å; I220-H249 PolarHBondContact N-O 3.04Å; I220-H249 PolarHBondContact O-N 3.34Å; I220-L251 HydrophobicContact CD1-CD1 4.21Å; I220-L251 HydrophobicContact CD1-CD2 4.18Å; I220-L251 HydrophobicContact CG1-CD1 3.91Å; I220-L251 HydrophobicContact CG1-CD2 4.27Å; I220-L251 HydrophobicContact CG1-CG 4.15Å
221	L	94.2	Very high	75.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.6	177.3	179.1	67.8	0	0	0	110.2	F47 L52 I55 G58 H59 V61 P246 V248	F47-L221 HydrophobicContact CE2-CD1 4.3Å; L52-L221 HydrophobicContact CD1-CD1 4Å; L52-L221 HydrophobicContact CD1-CD2 3.73Å; L52-L221 HydrophobicContact CD1-CG 4.48Å; I55-L221 HydrophobicContact CB-CD2 3.93Å; I55-L221 HydrophobicContact CG2-CD2 3.65Å; G58-L221 WeakPolarHBondContact CA-O 3.46Å; G58-L221 PolarHBondContact N-O 3.49Å; H59-L221 PolarHBondContact O-N 3.33Å; V61-L221 HydrophobicContact CG1-CB 3.79Å; V61-L221 HydrophobicContact CG1-CD2 4.16Å; V61-L221 HydrophobicContact CG1-CG 4.48Å; V61-L221 HydrophobicContact CG2-CB 3.99Å; L221-P246 HydrophobicContact CD1-CB 4.15Å; L221-V248 HydrophobicContact CD1-CG2 4.2Å
222	E	91.4	Very high	72.9	Confident	13 Å²	13	56.1 Å²	56.1	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.4	165.3	179.3	176.2	175.6	0	0	108	D57 D96 R247 H249	D57-E222 WeakPolarHBondContact OD1-CA 3.23Å; D96-E222 PolarHBondContact N-OE2 2.91Å; E222-R247 HydrophobicContact CB-CB 4.24Å; E222-R247 PolarHBondContact N-O 2.66Å; E222-R247 PolarHBondContact O-N 3.07Å; E222-H249 IonicContact OE2-CD2 2.71Å; E222-H249 IonicContact OE2-CE1 3.28Å; E222-H249 IonicContact OE2-NE2 3.47Å; E222-H249 PolarHBondContact OE2-NE2 3.4Å
223	H	86.4	Confident	70.4	Confident	50 Å²	50	63.2 Å²	63.2	23%	0.231	35%	0.345	C	S	.	.			trans	-65.2	145.6	176.9	-79.7	-88.1	0	0	0	110.5	L52 I55 D57 R225	L52-H223 PolarHBondContact O-CE1 2.99Å; L52-H223 VanDerWaalsContact O-CE1 3.28Å; I55-H223 PolarHBondContact O-NE2 3.45Å; D57-H223 IonicContact OD1-CD2 3.63Å; D57-H223 PolarHBondContact OD1-N 3.05Å; H223-R225 PolarHBondContact O-N 2.94Å
224	A	73.6	Confident	67.6	Low	30 Å²	30	65 Å²	65	25%	0.248	36%	0.36	C	S	.	.			trans	-62.8	108.6	170.6	0	0	0	0	0	109	L226 P244 L245	A224-L226 PolarHBondContact O-N 3.29Å; A224-L226 VanDerWaalsContact O-N 3.14Å; A224-P244 HydrophobicContact CB-CB 3.68Å; A224-P244 WeakPolarHBondContact CB-O 3.47Å; A224-L245 WeakPolarHBondContact CB-O 3.33Å
225	R	59.4	Low	64.6	Low	134 Å²	134	70.5 Å²	70.5	51%	0.506	40%	0.397	S	S	.	.			trans	-70.9	108.1	165.1	-61.1	-177.8	-171.2	-178.9	2.7	105.9	H223 C227	H223-R225 PolarHBondContact O-N 2.94Å; R225-C227 PolarHBondContact O-N 3.36Å; R225-C227 VanDerWaalsContact O-N 3.13Å
226	L	46	Very low	61.7	Low	119 Å²	119	78.7 Å²	78.7	62%	0.623	44%	0.435	S	S	*	.			trans	-47.8	124	159.6	-71.1	160.8	0	0	0	105.5	A224 D228 P244	A224-L226 PolarHBondContact O-N 3.29Å; A224-L226 VanDerWaalsContact O-N 3.14Å; L226-D228 PolarHBondContact O-N 3.46Å; L226-P244 HydrophobicContact CD2-CB 4.13Å; L226-P244 HydrophobicContact CD2-CG 4.05Å
227	C	39.6	Very low	59.1	Low	104 Å²	104	82.3 Å²	82.3	70%	0.703	46%	0.461	S	S	*	.	S	Bend	trans	-68.9	50.5	-177	-72.4	0	0	0	0	112	R225 A229	R225-C227 PolarHBondContact O-N 3.36Å; R225-C227 VanDerWaalsContact O-N 3.13Å; C227-A229 PolarHBondContact O-N 2.75Å
228	D	39.6	Very low	56.7	Low	155 Å²	155	87.9 Å²	87.9	83%	0.829	49%	0.487	S	S	*	.	S	Bend	trans	-81.6	-0.2	169.9	-73.2	-18.6	0	0	0	111.6	L226	L226-D228 PolarHBondContact O-N 3.46Å
229	A	35.5	Very low	54	Low	89 Å²	89	94.5 Å²	94.5	74%	0.736	52%	0.518	S	S	*	.	S	Bend	trans	-131.5	15.7	-171.5	0	0	0	0	0	116.2	C227	C227-A229 PolarHBondContact O-N 2.75Å
230	L	34.3	Very low	51.7	Low	101 Å²	101	100 Å²	100	53%	0.529	54%	0.542	S	S	.	.	S	Bend	trans	-94.8	117.3	165.4	-70.2	176.2	0	0	0	108.9	E232	L230-E232 PolarHBondContact O-N 3.44Å
231	P	35.1	Very low	49.2	Very low	94 Å²	94	103 Å²	103	61%	0.61	56%	0.563	S	S	*	*			trans	-59.7	137.8	168.8	22.9	-28.8	0	0	0	109	D233 S234	P231-D233 PolarHBondContact O-N 3.01Å; P231-S234 PolarHBondContact O-N 3.21Å; P231-S234 PolarHBondContact O-OG 3.34Å
232	E	39.7	Very low	47	Very low	202 Å²	202	110.2 Å²	110.2	94%	0.944	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-9.9	-169.3	-66.2	-175.6	158.2	0	0	115.7	L230	L230-E232 PolarHBondContact O-N 3.44Å
233	D	40	Very low	45.4	Very low	164 Å²	164	112.1 Å²	112.1	88%	0.877	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	10.4	-176.2	-73.1	-33.3	0	0	0	115.2	P231 C235	P231-D233 PolarHBondContact O-N 3.01Å; D233-C235 PolarHBondContact O-N 2.94Å
234	S	36.5	Very low	44.7	Very low	60 Å²	60	112.4 Å²	112.4	42%	0.42	62%	0.616	S	S	.	*	S	Bend	trans	-94.3	99.6	179.6	-40.1	0	0	0	0	111.2	P231	P231-S234 PolarHBondContact O-N 3.21Å; P231-S234 PolarHBondContact O-OG 3.34Å
235	C	33.1	Very low	45.2	Very low	122 Å²	122	112 Å²	112	82%	0.824	61%	0.609	S	S	*	*	S	Bend	trans	28.3	111.1	160.2	-60.5	0	0	0	0	117.6	D233	D233-C235 PolarHBondContact O-N 2.94Å
236	E	35.4	Very low	46.7	Very low	173 Å²	173	105.8 Å²	105.8	81%	0.808	59%	0.587	S	S	*	*			trans	23.1	93	161.2	-64.6	-100	136.9	0	0	113.8	E238	E236-E238 PolarHBondContact O-N 2.66Å; E236-E238 VanDerWaalsContact O-N 3.17Å
237	P	39.3	Very low	48.8	Very low	100 Å²	100	102.4 Å²	102.4	65%	0.649	57%	0.566	S	S	*	*			trans	-51.2	130	176.5	21.7	-31.7	0	0	0	108.2	E239	P237-E239 VanDerWaalsContact C-N 3.25Å; P237-E239 WeakPolarHBondContact O-CG 3.42Å; P237-E239 PolarHBondContact O-N 3.3Å
238	E	44.3	Very low	51.5	Low	119 Å²	119	97.5 Å²	97.5	56%	0.556	53%	0.533	S	S	*	.			trans	-54.4	90.7	177.5	-67	-177.4	166.8	0	0	108.9	R200 E236 K240	R200-E238 IonicContact NH2-OE2 2.87Å; E236-E238 PolarHBondContact O-N 2.66Å; E236-E238 VanDerWaalsContact O-N 3.17Å; E238-K240 PolarHBondContact O-N 2.7Å
239	E	40.5	Very low	54.2	Low	153 Å²	153	90.2 Å²	90.2	72%	0.715	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	1.4	-169.2	-70.1	-169.5	143.3	0	0	113.6	P237	P237-E239 VanDerWaalsContact C-N 3.25Å; P237-E239 WeakPolarHBondContact O-CG 3.42Å; P237-E239 PolarHBondContact O-N 3.3Å
240	K	46.7	Very low	57	Low	117 Å²	117	86 Å²	86	51%	0.509	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-11.8	-166.5	-66.4	-176.1	-179.1	173.9	0	114.9	E238	E238-K240 PolarHBondContact O-N 2.7Å
241	C	43.2	Very low	59.9	Low	65 Å²	65	81.4 Å²	81.4	44%	0.439	43%	0.434	S	S	.	.			trans	-160	94.7	167.7	-148.8	0	0	0	0	111.6	E243	C241-E243 PolarHBondContact O-N 3.44Å
242	N	47.2	Very low	62.7	Low	151 Å²	151	77.4 Å²	77.4	81%	0.807	41%	0.408	S	S	*	.			trans	-68.5	3.8	176.4	-73.8	-27.6	0	0	0	114.1
243	E	59.1	Low	65.3	Low	53 Å²	53	68.2 Å²	68.2	25%	0.248	37%	0.365	C	S	.	.	S	Bend	trans	-95.7	133.1	-178.4	-63.3	-165.9	169	0	0	111	P179 R180 C241 L245	P179-E243 HydrophobicContact CB-CB 4.11Å; P179-E243 HydrophobicContact CB-CG 4.38Å; R180-E243 WeakPolarHBondContact CA-OE1 3.48Å; R180-E243 WeakPolarHBondContact CB-OE1 3.31Å; R180-E243 VanDerWaalsContact N-CD 3.26Å; R180-E243 PolarHBondContact N-OE1 2.89Å; R180-E243 PolarHBondContact N-OE2 3.17Å; R180-E243 VanDerWaalsContact O-OE2 3.13Å; C241-E243 PolarHBondContact O-N 3.44Å; E243-L245 HydrophobicContact CB-CG 4.36Å; E243-L245 PolarHBondContact O-N 3.48Å
244	P	70.7	Confident	67.8	Low	55 Å²	55	64.3 Å²	64.3	36%	0.357	34%	0.342	S	S	.	.			trans	-71.4	80.1	178.1	30.6	-35.2	0	0	0	110.1	A224 L226	A224-P244 HydrophobicContact CB-CB 3.68Å; A224-P244 WeakPolarHBondContact CB-O 3.47Å; L226-P244 HydrophobicContact CD2-CB 4.13Å; L226-P244 HydrophobicContact CD2-CG 4.05Å
245	L	83.6	Confident	70.5	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.11	34%	0.342	C	S	.	.			trans	-90.1	136.4	175	-67.9	172	0	0	0	110.3	Y120 A224 E243	Y120-L245 HydrophobicContact CD2-CD1 4.03Å; Y120-L245 HydrophobicContact CE2-CD1 3.57Å; Y120-L245 HydrophobicContact CE2-CD2 4.23Å; A224-L245 WeakPolarHBondContact CB-O 3.33Å; E243-L245 HydrophobicContact CB-CG 4.36Å; E243-L245 PolarHBondContact O-N 3.48Å
246	P	90.7	Very high	73.3	Confident	4 Å²	4	60 Å²	60	3%	0.026	31%	0.31	C	S	.	.			trans	-62.1	145.4	171.8	27.8	-33.9	0	0	0	109.8	F47 L52 I195 A197 L198 L221	F47-P246 HydrophobicContact CE2-CB 4.37Å; F47-P246 HydrophobicContact CE2-CG 4.03Å; F47-P246 HydrophobicContact CZ-CG 3.76Å; L52-P246 HydrophobicContact CD2-CB 4.11Å; L52-P246 HydrophobicContact CD2-CG 4.06Å; I195-P246 HydrophobicContact CG2-CG 4.1Å; A197-P246 CarbonylContact C-O 3.52Å; A197-P246 VanDerWaalsContact CA-O 3.3Å; A197-P246 WeakPolarHBondContact CA-O 3.36Å; A197-P246 HydrophobicContact CB-CG 4.24Å; L198-P246 PolarHBondContact N-O 3.26Å; L221-P246 HydrophobicContact CD1-CB 4.15Å
247	R	91.9	Very high	75.8	Confident	49 Å²	49	55.2 Å²	55.2	19%	0.185	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.7	177.8	-52.4	-172.8	177.9	97.3	-3.9	109.5	D96 L198 E222	D96-R247 WeakPolarHBondContact OD2-CD 3.42Å; D96-R247 IonicContact OD2-CZ 2.64Å; D96-R247 IonicContact OD2-NE 3.4Å; D96-R247 PolarHBondContact OD2-NE 3.04Å; D96-R247 VanDerWaalsContact OD2-NE 3.16Å; D96-R247 IonicContact OD2-NH1 3Å; L198-R247 HydrophobicContact CB-CG 4.21Å; L198-R247 HydrophobicContact CD2-CG 4.34Å; L198-R247 CarbonylContact O-C 3.49Å; L198-R247 VanDerWaalsContact O-CA 3.25Å; L198-R247 WeakPolarHBondContact O-CA 3.38Å; E222-R247 HydrophobicContact CB-CB 4.24Å; E222-R247 PolarHBondContact N-O 2.66Å; E222-R247 PolarHBondContact O-N 3.07Å
248	V	95.1	Very high	78.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.8	175.8	178.3	0	0	0	0	108	V61 V63 A197 L198 L199 R200 I220 L221 A250	V61-V248 HydrophobicContact CG2-CG1 4.01Å; V61-V248 HydrophobicContact CG2-CG2 4.11Å; V63-V248 HydrophobicContact CG2-CG1 4.11Å; V63-V248 HydrophobicContact CG2-CG2 4.14Å; A197-V248 HydrophobicContact CB-CG2 4.18Å; L198-V248 PolarHBondContact O-N 2.77Å; L199-V248 CarbonylContact C-O 3.56Å; L199-V248 WeakPolarHBondContact CA-O 3.49Å; L199-V248 HydrophobicContact CD1-CB 4.08Å; L199-V248 HydrophobicContact CD1-CG1 4Å; L199-V248 WeakPolarHBondContact CD1-O 3.39Å; R200-V248 PolarHBondContact N-O 2.85Å; I220-V248 WeakPolarHBondContact O-CA 3.48Å; L221-V248 HydrophobicContact CD1-CG2 4.2Å; V248-A250 PolarHBondContact O-N 3.06Å
249	H	95.6	Very high	80.7	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108	176.7	-66.2	-82.5	0	0	0	109.5	Y94 R95 D96 Y202 G219 I220 E222 L251	Y94-H249 HydrophobicContact CD1-CB 4.34Å; Y94-H249 PolarHBondContact O-CD2 2.83Å; Y94-H249 VanDerWaalsContact O-CD2 3.25Å; Y94-H249 VanDerWaalsContact O-CG 3.31Å; R95-H249 PolarHBondContact N-CE1 3.2Å; D96-H249 IonicContact OD1-CE1 2.72Å; D96-H249 PolarHBondContact OD1-CE1 3.17Å; Y202-H249 HydrophobicContact CE2-CB 4.14Å; Y202-H249 AromaticContact CE2-ND1 3.8Å; Y202-H249 AromaticContact CZ-ND1 3.7Å; Y202-H249 PolarHBondContact OH-CE1 2.94Å; Y202-H249 PolarHBondContact OH-ND1 3.41Å; G219-H249 CarbonylContact C-O 3.56Å; G219-H249 WeakPolarHBondContact CA-O 3.36Å; I220-H249 HydrophobicContact CB-CB 4.31Å; I220-H249 PolarHBondContact N-O 3.04Å; I220-H249 PolarHBondContact O-N 3.34Å; E222-H249 IonicContact OE2-CD2 2.71Å; E222-H249 IonicContact OE2-CE1 3.28Å; E222-H249 IonicContact OE2-NE2 3.47Å; E222-H249 PolarHBondContact OE2-NE2 3.4Å; H249-L251 PolarHBondContact O-N 3.49Å
250	A	95.8	Very high	83.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.3	-174.5	0	0	0	0	0	111.3	Y94 L199 R200 V201 V217 V248 I253	Y94-A250 WeakPolarHBondContact CE1-O 3.4Å; L199-A250 HydrophobicContact CD1-CB 4.02Å; L199-A250 HydrophobicContact CG-CB 4.37Å; R200-A250 VanDerWaalsContact O-CB 3.27Å; R200-A250 WeakPolarHBondContact O-CB 3.35Å; R200-A250 PolarHBondContact O-N 3.47Å; V201-A250 HydrophobicContact CG2-CB 4.3Å; V217-A250 HydrophobicContact CG1-CB 3.91Å; V248-A250 PolarHBondContact O-N 3.06Å; A250-I253 HydrophobicContact CB-CD1 3.63Å; A250-I253 HydrophobicContact CB-CG1 3.8Å
251	L	94.7	Very high	85.4	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-45.2	168.6	-57.7	-176.9	0	0	0	110.6	F29 I30 M33 L60 Y94 Y218 I220 H249	F29-L251 HydrophobicContact CE1-CD1 4.07Å; F29-L251 HydrophobicContact CE1-CD2 3.93Å; F29-L251 HydrophobicContact CZ-CD1 4.25Å; I30-L251 HydrophobicContact CD1-CB 4.07Å; I30-L251 HydrophobicContact CD1-CD2 4.31Å; M33-L251 HydrophobicContact CE-CD1 3.86Å; M33-L251 HydrophobicContact CG-CD1 4.29Å; L60-L251 HydrophobicContact CD1-CD1 3.81Å; Y94-L251 HydrophobicContact CD1-CD2 3.49Å; Y94-L251 VanDerWaalsContact CD1-CD2 3.49Å; Y94-L251 HydrophobicContact CD2-CD2 3.89Å; Y94-L251 HydrophobicContact CE1-CD2 3.41Å; Y94-L251 VanDerWaalsContact CE1-CD2 3.41Å; Y94-L251 HydrophobicContact CE2-CD2 3.79Å; Y94-L251 HydrophobicContact CG-CD2 3.74Å; Y218-L251 WeakPolarHBondContact O-CB 3.49Å; Y218-L251 PolarHBondContact O-N 3.43Å; I220-L251 HydrophobicContact CD1-CD1 4.21Å; I220-L251 HydrophobicContact CD1-CD2 4.18Å; I220-L251 HydrophobicContact CG1-CD1 3.91Å; I220-L251 HydrophobicContact CG1-CD2 4.27Å; I220-L251 HydrophobicContact CG1-CG 4.15Å; H249-L251 PolarHBondContact O-N 3.49Å
252	I	93.7	Very high	87.6	Confident	11 Å²	11	33 Å²	33	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.3	-178.1	-62.3	158.6	0	0	0	108.1	I30 M33 Q34 L37 V217 Y218 H254	I30-I252 HydrophobicContact CG2-CG1 4.38Å; M33-I252 HydrophobicContact CB-CD1 4.4Å; M33-I252 HydrophobicContact CG-CD1 4Å; Q34-I252 HydrophobicContact CG-CD1 3.6Å; Q34-I252 HydrophobicContact CG-CG1 4.22Å; L37-I252 HydrophobicContact CD1-CD1 3.47Å; L37-I252 VanDerWaalsContact CD1-CD1 3.47Å; V217-I252 WeakPolarHBondContact CA-O 3.48Å; Y218-I252 PolarHBondContact N-O 2.99Å; Y218-I252 PolarHBondContact O-N 3.33Å; Y218-I252 VanDerWaalsContact O-N 3.11Å; I252-H254 WeakPolarHBondContact CG2-NE2 3.24Å
253	I	94.6	Very high	89.5	Confident	9 Å²	9	26.2 Å²	26.2	5%	0.046	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.6	-179.6	-54	-177.2	0	0	0	109.4	L199 V201 V205 T207 L209 V215 E216 V217 A250	L199-I253 HydrophobicContact CD2-CD1 4.33Å; V201-I253 HydrophobicContact CB-CD1 4.26Å; V201-I253 HydrophobicContact CG1-CD1 3.75Å; V201-I253 HydrophobicContact CG2-CD1 3.55Å; V205-I253 HydrophobicContact CG1-CB 4.19Å; V205-I253 HydrophobicContact CG1-CD1 3.87Å; V205-I253 HydrophobicContact CG1-CG1 4.05Å; T207-I253 HydrophobicContact CG2-CG2 4.46Å; T207-I253 PolarHBondContact OG1-O 3.31Å; L209-I253 HydrophobicContact CD1-CD1 4.28Å; L209-I253 HydrophobicContact CD1-CG2 4.44Å; L209-I253 HydrophobicContact CD2-CG2 3.98Å; V215-I253 HydrophobicContact CB-CG2 4.32Å; V215-I253 HydrophobicContact CG1-CG2 4.3Å; E216-I253 WeakPolarHBondContact O-CA 3.28Å; V217-I253 HydrophobicContact CG1-CG1 4.21Å; V217-I253 HydrophobicContact CG2-CG1 4.19Å; V217-I253 HydrophobicContact CG2-CG2 4.2Å; A250-I253 HydrophobicContact CB-CD1 3.63Å; A250-I253 HydrophobicContact CB-CG1 3.8Å
254	H	92.2	Very high	90.3	Very high	82 Å²	82	27.5 Å²	27.5	38%	0.38	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.5	169.3	-50.9	124.5	0	0	0	108.9	V215 E216 I252 L256	V215-H254 WeakPolarHBondContact CA-O 3.39Å; E216-H254 HydrophobicContact CB-CB 4.34Å; E216-H254 PolarHBondContact N-O 3.46Å; E216-H254 PolarHBondContact O-N 3.03Å; E216-H254 IonicContact OE2-CE1 3.18Å; E216-H254 IonicContact OE2-CG 3.05Å; E216-H254 IonicContact OE2-ND1 2.75Å; E216-H254 PolarHBondContact OE2-ND1 3.13Å; I252-H254 WeakPolarHBondContact CG2-NE2 3.24Å; H254-L256 HydrophobicContact CB-CD2 4.36Å
255	S	92.5	Very high	89.9	Confident	61 Å²	61	28.5 Å²	28.5	43%	0.427	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.5	164.9	-177	0	0	0	0	108.8
256	L	92.2	Very high	88.5	Confident	29 Å²	29	34.1 Å²	34.1	15%	0.152	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.9	-174.7	-63	-173.5	0	0	0	110.2	V64 I214 E216 H254 H258	V64-L256 HydrophobicContact CG1-CD1 4.3Å; I214-L256 HydrophobicContact CB-CB 4.39Å; I214-L256 HydrophobicContact CG2-CB 4.27Å; I214-L256 HydrophobicContact CG2-CD1 4.14Å; I214-L256 PolarHBondContact O-N 3.39Å; E216-L256 HydrophobicContact CB-CD1 3.98Å; E216-L256 HydrophobicContact CB-CD2 4.31Å; E216-L256 HydrophobicContact CB-CG 4.22Å; H254-L256 HydrophobicContact CB-CD2 4.36Å; L256-H258 WeakPolarHBondContact CB-O 3.47Å; L256-H258 PolarHBondContact O-N 3.23Å
257	A	89.4	Confident	86.7	Confident	73 Å²	73	38.2 Å²	38.2	60%	0.603	22%	0.222	S	C	*	.	S	Bend	trans	-64.7	-25.3	171.9	0	0	0	0	0	112.6	L511	A257-L511 HydrophobicContact CB-CD2 4.06Å
258	H	92.5	Very high	84.9	Confident	18 Å²	18	36.7 Å²	36.7	8%	0.083	22%	0.219	C	C	.	.			trans	-153.3	163.4	170.2	70.1	85.8	0	0	0	109.5	L256 N260 V263 N265 T507 L511	L256-H258 WeakPolarHBondContact CB-O 3.47Å; L256-H258 PolarHBondContact O-N 3.23Å; H258-N260 PolarHBondContact ND1-N 3.39Å; H258-V263 PolarHBondContact CE1-O 3.49Å; H258-V263 VanDerWaalsContact CE1-O 3.32Å; H258-N265 PolarHBondContact NE2-OD1 2.66Å; H258-N265 VanDerWaalsContact NE2-OD1 3.08Å; H258-T507 HydrophobicContact CB-CG2 4.05Å; H258-L511 WeakPolarHBondContact CD2-CD1 3.46Å
259	N	93.2	Very high	82.9	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.043	23%	0.232	C	C	.	.			trans	-121.5	14.1	-179.5	69.9	-37.5	0	0	0	113.5	E127 R135 I214 P261 T369 H370	E127-N259 PolarHBondContact OE1-ND2 3.42Å; R135-N259 PolarHBondContact NH2-ND2 3.35Å; R135-N259 PolarHBondContact NH2-O 2.87Å; I214-N259 HydrophobicContact CD1-CB 4.13Å; I214-N259 HydrophobicContact CG2-CB 4.05Å; N259-P261 VanDerWaalsContact O-CD 3.25Å; N259-P261 WeakPolarHBondContact O-CD 3.47Å; N259-T369 WeakPolarHBondContact OD1-CG2 3.19Å; N259-H370 PolarHBondContact ND2-NE2 3Å; N259-H370 PolarHBondContact OD1-CE1 2.85Å; N259-H370 PolarHBondContact OD1-NE2 3.44Å
260	N	94	Very high	80.8	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	26%	0.257	C	S	.	.			trans	-61.1	113.9	168.4	-178.3	-13.5	0	0	0	110.3	W130 H258 L262 V263 T369 R503 T507	W130-N260 HydrophobicContact CH2-CB 4.3Å; W130-N260 VanDerWaalsContact CH2-OD1 3.3Å; W130-N260 WeakPolarHBondContact CH2-OD1 3.28Å; W130-N260 WeakPolarHBondContact CZ3-OD1 3.42Å; H258-N260 PolarHBondContact ND1-N 3.39Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 3.28Å; N260-L262 WeakPolarHBondContact OD1-CB 3.41Å; N260-L262 PolarHBondContact OD1-N 3.41Å; N260-V263 PolarHBondContact O-N 2.9Å; N260-T369 HydrophobicContact CB-CG2 4.35Å; N260-R503 PolarHBondContact ND2-O 3.08Å; N260-T507 HydrophobicContact CB-CG2 3.87Å; N260-T507 PolarHBondContact ND2-OG1 2.74Å
261	P	91.4	Very high	78.8	Confident	19 Å²	19	46.7 Å²	46.7	12%	0.123	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19	-176.3	29.2	-36.5	0	0	0	113.7	W130 V131 V134 R135 N259 V263	W130-P261 HydrophobicContact CZ3-CG 4.26Å; V131-P261 HydrophobicContact CG1-CG 4.41Å; V134-P261 HydrophobicContact CB-CB 4.29Å; V134-P261 HydrophobicContact CB-CG 3.66Å; V134-P261 HydrophobicContact CG1-CB 3.73Å; V134-P261 HydrophobicContact CG1-CG 3.58Å; V134-P261 HydrophobicContact CG2-CG 4.47Å; R135-P261 HydrophobicContact CG-CB 4.06Å; R135-P261 HydrophobicContact CG-CG 4.36Å; N259-P261 VanDerWaalsContact O-CD 3.25Å; N259-P261 WeakPolarHBondContact O-CD 3.47Å; P261-V263 PolarHBondContact O-N 3.13Å
262	L	90.4	Very high	76.7	Confident	41 Å²	41	48.4 Å²	48.4	22%	0.215	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.3	179.4	-59.4	170.8	0	0	0	113.3	W130 V134 N260 D500 R503 K504	W130-L262 HydrophobicContact CE3-CD1 4.24Å; W130-L262 HydrophobicContact CZ3-CD1 3.8Å; W130-L262 HydrophobicContact CZ3-CG 4.12Å; V134-L262 HydrophobicContact CG1-CD2 3.96Å; V134-L262 HydrophobicContact CG2-CD2 4.06Å; V134-L262 HydrophobicContact CG2-CG 4.5Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 3.28Å; N260-L262 WeakPolarHBondContact OD1-CB 3.41Å; N260-L262 PolarHBondContact OD1-N 3.41Å; L262-D500 HydrophobicContact CD1-CB 3.97Å; L262-D500 VanDerWaalsContact CD1-OD1 3.3Å; L262-D500 WeakPolarHBondContact CD1-OD1 3.28Å; L262-R503 HydrophobicContact CD1-CB 4.04Å; L262-K504 HydrophobicContact CB-CD 4.4Å; L262-K504 HydrophobicContact CB-CG 3.79Å
263	V	87.4	Confident	74.9	Confident	7 Å²	7	52 Å²	52	4%	0.042	31%	0.312	C	S	.	.			trans	-120.1	117.7	-174.7	178.8	0	0	0	0	108.5	H258 N260 P261 S268 K504 T507 I508	H258-V263 PolarHBondContact CE1-O 3.49Å; H258-V263 VanDerWaalsContact CE1-O 3.32Å; N260-V263 PolarHBondContact O-N 2.9Å; P261-V263 PolarHBondContact O-N 3.13Å; V263-S268 WeakPolarHBondContact CG1-OG 3.36Å; V263-K504 HydrophobicContact CG2-CB 4.22Å; V263-K504 HydrophobicContact CG2-CG 3.94Å; V263-T507 HydrophobicContact CB-CG2 4.32Å; V263-T507 HydrophobicContact CG1-CG2 4.35Å; V263-T507 HydrophobicContact CG2-CG2 4.14Å; V263-I508 HydrophobicContact CG1-CD1 4.41Å; V263-I508 HydrophobicContact CG1-CG1 4.09Å; V263-I508 HydrophobicContact CG2-CD1 4Å; V263-I508 HydrophobicContact CG2-CG1 4.36Å
264	C	74.5	Confident	73.1	Confident	81 Å²	81	59.1 Å²	59.1	55%	0.547	34%	0.343	S	S	.	.			trans	-92.9	124.5	174	-55.9	0	0	0	0	109.8	N266 T267 S268	C264-N266 PolarHBondContact O-N 2.85Å; C264-T267 PolarHBondContact O-N 3.33Å; C264-S268 WeakPolarHBondContact O-CB 3.42Å; C264-S268 PolarHBondContact O-N 2.87Å; C264-S268 PolarHBondContact O-OG 2.98Å
265	N	62.8	Low	71.9	Confident	76 Å²	76	59.3 Å²	59.3	41%	0.406	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-39.9	-175.1	-63.9	1.6	0	0	0	113.9	H258	H258-N265 PolarHBondContact NE2-OD1 2.66Å; H258-N265 VanDerWaalsContact NE2-OD1 3.08Å
266	N	54.2	Low	70.9	Confident	139 Å²	139	59.3 Å²	59.3	74%	0.743	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-25.6	-171.3	-65.6	-4.8	0	0	0	114.6	C264 I270	C264-N266 PolarHBondContact O-N 2.85Å; N266-I270 VanDerWaalsContact O-CD1 3.3Å; N266-I270 WeakPolarHBondContact O-CD1 3.44Å
267	T	52	Low	70	Confident	90 Å²	90	64.6 Å²	64.6	55%	0.552	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-34.3	-166.4	-46.3	0	0	0	0	112.7	C264 S271	C264-T267 PolarHBondContact O-N 3.33Å; T267-S271 WeakPolarHBondContact O-CB 3.24Å; T267-S271 PolarHBondContact O-N 2.97Å; T267-S271 PolarHBondContact O-OG 3.42Å
268	S	54.1	Low	69.9	Low	17 Å²	17	65 Å²	65	12%	0.119	36%	0.364	C	S	.	.	H	α-helix	trans	-69	-48.9	-171.5	55.2	0	0	0	0	112.1	V263 C264 I270 S271 I272	V263-S268 WeakPolarHBondContact CG1-OG 3.36Å; C264-S268 WeakPolarHBondContact O-CB 3.42Å; C264-S268 PolarHBondContact O-N 2.87Å; C264-S268 PolarHBondContact O-OG 2.98Å; S268-I270 VanDerWaalsContact C-N 3.28Å; S268-I270 PolarHBondContact O-N 3.34Å; S268-S271 WeakPolarHBondContact O-CB 3.22Å; S268-S271 PolarHBondContact O-N 2.9Å; S268-I272 WeakPolarHBondContact O-CD1 3.28Å; S268-I272 VanDerWaalsContact O-CG1 3.3Å; S268-I272 WeakPolarHBondContact O-CG1 3.46Å; S268-I272 PolarHBondContact O-N 3.01Å
269	V	53.7	Low	69.6	Low	46 Å²	46	64.8 Å²	64.8	28%	0.279	36%	0.364	S	S	.	.	H	α-helix	trans	-56.4	-42.2	177.5	-174.7	0	0	0	0	111.4	I272	V269-I272 PolarHBondContact O-N 2.74Å
270	I	51.8	Low	69.6	Low	106 Å²	106	67.9 Å²	67.9	54%	0.544	38%	0.378	S	S	.	.	H	α-helix	trans	-67.6	-40	177.8	-58.8	177.4	0	0	0	111.5	N266 S268 I272 S273	N266-I270 VanDerWaalsContact O-CD1 3.3Å; N266-I270 WeakPolarHBondContact O-CD1 3.44Å; S268-I270 VanDerWaalsContact C-N 3.28Å; S268-I270 PolarHBondContact O-N 3.34Å; I270-I272 PolarHBondContact O-N 2.72Å; I270-S273 PolarHBondContact O-OG 2.87Å
271	S	52.9	Low	69.5	Low	59 Å²	59	71 Å²	71	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-27.8	-179.1	-56.5	0	0	0	0	112.6	T267 S268 K274	T267-S271 WeakPolarHBondContact O-CB 3.24Å; T267-S271 PolarHBondContact O-N 2.97Å; T267-S271 PolarHBondContact O-OG 3.42Å; S268-S271 WeakPolarHBondContact O-CB 3.22Å; S268-S271 PolarHBondContact O-N 2.9Å; S271-K274 WeakPolarHBondContact O-CB 3.48Å; S271-K274 PolarHBondContact O-N 2.86Å
272	I	52.4	Low	69.6	Low	41 Å²	41	71.5 Å²	71.5	21%	0.21	40%	0.401	C	S	.	.	H	α-helix	trans	-82.6	-31.2	-173	-71.6	153.1	0	0	0	112.2	S268 V269 I270 K274 N275 I279 I508	S268-I272 WeakPolarHBondContact O-CD1 3.28Å; S268-I272 VanDerWaalsContact O-CG1 3.3Å; S268-I272 WeakPolarHBondContact O-CG1 3.46Å; S268-I272 PolarHBondContact O-N 3.01Å; V269-I272 PolarHBondContact O-N 2.74Å; I270-I272 PolarHBondContact O-N 2.72Å; I272-K274 PolarHBondContact O-N 3.42Å; I272-N275 PolarHBondContact O-N 2.76Å; I272-I279 HydrophobicContact CG2-CD1 3.48Å; I272-I279 VanDerWaalsContact CG2-CD1 3.48Å; I272-I279 HydrophobicContact CG2-CG1 4.28Å; I272-I508 HydrophobicContact CB-CG2 4.32Å; I272-I508 HydrophobicContact CD1-CB 3.66Å; I272-I508 HydrophobicContact CD1-CD1 3.13Å; I272-I508 HydrophobicContact CD1-CG1 3.23Å; I272-I508 HydrophobicContact CD1-CG2 3.14Å; I272-I508 HydrophobicContact CG1-CD1 4.44Å; I272-I508 HydrophobicContact CG1-CG2 4.17Å; I272-I508 HydrophobicContact CG2-CG2 3.93Å
273	S	54.4	Low	69.9	Low	87 Å²	87	70.8 Å²	70.8	61%	0.608	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-17.6	165.9	72.3	0	0	0	0	113	I270	I270-S273 PolarHBondContact O-OG 2.87Å
274	K	58.2	Low	70.3	Confident	159 Å²	159	75.3 Å²	75.3	69%	0.691	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-22.8	-178.6	-57.9	-177	178.7	178.3	0	114.9	S271 I272	S271-K274 WeakPolarHBondContact O-CB 3.48Å; S271-K274 PolarHBondContact O-N 2.86Å; I272-K274 PolarHBondContact O-N 3.42Å
275	N	66.8	Low	71.2	Confident	86 Å²	86	74.7 Å²	74.7	46%	0.46	41%	0.407	S	S	.	.			trans	-125.1	55.4	-167.6	-77.4	14.8	0	0	0	114.2	I272 N277 D278 I279	I272-N275 PolarHBondContact O-N 2.76Å; N275-N277 PolarHBondContact O-N 3.28Å; N275-D278 HydrophobicContact CB-CB 4.3Å; N275-D278 WeakPolarHBondContact CB-OD2 3.1Å; N275-D278 PolarHBondContact ND2-OD2 2.94Å; N275-D278 PolarHBondContact O-N 3.05Å; N275-D278 VanDerWaalsContact O-N 3.12Å; N275-I279 PolarHBondContact O-N 2.94Å
276	V	70.1	Confident	72.8	Confident	61 Å²	61	71.1 Å²	71.1	37%	0.37	39%	0.387	S	S	.	.	H	α-helix	trans	-54.7	-35.7	178.3	179.1	0	0	0	0	113.1	D278 I279 Q280	V276-D278 VanDerWaalsContact C-N 3.31Å; V276-D278 PolarHBondContact O-N 2.78Å; V276-I279 WeakPolarHBondContact O-CB 3.32Å; V276-I279 PolarHBondContact O-N 2.96Å; V276-Q280 PolarHBondContact O-N 2.82Å; V276-Q280 VanDerWaalsContact O-N 3.12Å
277	N	74.9	Confident	74.8	Confident	140 Å²	140	65.1 Å²	65.1	75%	0.749	36%	0.355	S	S	*	.	H	α-helix	trans	-62.4	-36.3	179.8	-68.1	-30.2	0	0	0	113	N275 S281	N275-N277 PolarHBondContact O-N 3.28Å; N277-S281 PolarHBondContact O-N 3.49Å
278	D	85.4	Confident	76.9	Confident	82 Å²	82	68.2 Å²	68.2	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-42.4	178.8	-63.3	-18.3	0	0	0	109.6	N275 V276 Q280 S281 I282	N275-D278 HydrophobicContact CB-CB 4.3Å; N275-D278 WeakPolarHBondContact CB-OD2 3.1Å; N275-D278 PolarHBondContact ND2-OD2 2.94Å; N275-D278 PolarHBondContact O-N 3.05Å; N275-D278 VanDerWaalsContact O-N 3.12Å; V276-D278 VanDerWaalsContact C-N 3.31Å; V276-D278 PolarHBondContact O-N 2.78Å; D278-Q280 PolarHBondContact O-N 3.48Å; D278-S281 PolarHBondContact O-N 2.85Å; D278-S281 PolarHBondContact O-OG 2.94Å; D278-I282 VanDerWaalsContact O-CG1 3.31Å; D278-I282 WeakPolarHBondContact O-CG1 3.29Å; D278-I282 PolarHBondContact O-N 2.96Å
279	I	87.8	Confident	78.8	Confident	13 Å²	13	68 Å²	68	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-58.2	-48.4	178	-56	172.6	0	0	0	110.8	I272 N275 V276 S281 I282 R283 Y505	I272-I279 HydrophobicContact CG2-CD1 3.48Å; I272-I279 VanDerWaalsContact CG2-CD1 3.48Å; I272-I279 HydrophobicContact CG2-CG1 4.28Å; N275-I279 PolarHBondContact O-N 2.94Å; V276-I279 WeakPolarHBondContact O-CB 3.32Å; V276-I279 PolarHBondContact O-N 2.96Å; I279-S281 VanDerWaalsContact C-N 3.3Å; I279-S281 PolarHBondContact O-N 3.27Å; I279-I282 PolarHBondContact O-N 3.46Å; I279-R283 PolarHBondContact O-N 2.79Å; I279-Y505 HydrophobicContact CG2-CD2 3.9Å; I279-Y505 HydrophobicContact CG2-CE2 3.58Å
280	Q	91.5	Very high	80.8	Confident	73 Å²	73	65.8 Å²	65.8	34%	0.341	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-36.9	-178.1	-169.8	64.8	0.4	0	0	111.8	V276 D278 R283 I284	V276-Q280 PolarHBondContact O-N 2.82Å; V276-Q280 VanDerWaalsContact O-N 3.12Å; D278-Q280 PolarHBondContact O-N 3.48Å; Q280-R283 PolarHBondContact O-N 2.84Å; Q280-I284 HydrophobicContact CG-CD1 4.15Å; Q280-I284 VanDerWaalsContact O-CG1 3.28Å; Q280-I284 WeakPolarHBondContact O-CG1 3.44Å; Q280-I284 PolarHBondContact O-N 3.48Å
281	S	93	Very high	82.9	Confident	69 Å²	69	62.2 Å²	62.2	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-41.2	175.9	78.2	0	0	0	0	112.3	N277 D278 I279 K285	N277-S281 PolarHBondContact O-N 3.49Å; D278-S281 PolarHBondContact O-N 2.85Å; D278-S281 PolarHBondContact O-OG 2.94Å; I279-S281 VanDerWaalsContact C-N 3.3Å; I279-S281 PolarHBondContact O-N 3.27Å; S281-K285 WeakPolarHBondContact O-CB 3.44Å; S281-K285 PolarHBondContact O-N 2.94Å; S281-K285 VanDerWaalsContact O-N 3.11Å
282	I	94.2	Very high	84.8	Confident	29 Å²	29	63 Å²	63	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-45.9	176.2	-64.2	162	0	0	0	109.8	D278 I279 I284 K285 L286 D501 M502 Y505	D278-I282 VanDerWaalsContact O-CG1 3.31Å; D278-I282 WeakPolarHBondContact O-CG1 3.29Å; D278-I282 PolarHBondContact O-N 2.96Å; I279-I282 PolarHBondContact O-N 3.46Å; I282-I284 PolarHBondContact O-N 3.25Å; I282-K285 PolarHBondContact O-N 3.07Å; I282-L286 VanDerWaalsContact O-CB 3.31Å; I282-L286 WeakPolarHBondContact O-CB 3.39Å; I282-L286 PolarHBondContact O-N 2.94Å; I282-D501 HydrophobicContact CD1-CB 3.96Å; I282-D501 HydrophobicContact CG1-CB 4.22Å; I282-M502 HydrophobicContact CG2-CG 3.91Å; I282-Y505 HydrophobicContact CB-CD2 4.31Å; I282-Y505 HydrophobicContact CG2-CD1 4.24Å; I282-Y505 HydrophobicContact CG2-CD2 3.98Å; I282-Y505 HydrophobicContact CG2-CG 3.76Å
283	R	95.5	Very high	86.7	Confident	26 Å²	26	61.3 Å²	61.3	10%	0.098	32%	0.322	C	S	.	.	H	α-helix	trans	-57	-50.6	177.4	-173	-163.8	177.2	-76.9	-3	111.6	I279 Q280 K285 L286 M287 E302 L305 Y505 Y556 T559	I279-R283 PolarHBondContact O-N 2.79Å; Q280-R283 PolarHBondContact O-N 2.84Å; R283-K285 VanDerWaalsContact C-N 3.3Å; R283-K285 PolarHBondContact O-N 2.82Å; R283-L286 PolarHBondContact O-N 2.79Å; R283-M287 WeakPolarHBondContact O-CB 3.26Å; R283-M287 WeakPolarHBondContact O-CG 3.43Å; R283-M287 PolarHBondContact O-N 2.66Å; R283-E302 IonicContact NH2-OE1 2.79Å; R283-E302 PolarHBondContact NH2-OE1 3.46Å; R283-L305 HydrophobicContact CG-CD2 4.13Å; R283-Y505 HydrophobicContact CB-CE2 4.37Å; R283-Y556 VanDerWaalsContact NH2-CE2 3.3Å; R283-T559 WeakPolarHBondContact CD-O 3.43Å; R283-T559 PolarHBondContact NE-OG1 3.15Å; R283-T559 VanDerWaalsContact NE-OG1 3.12Å
284	I	95.4	Very high	88.6	Confident	101 Å²	101	57.1 Å²	57.1	52%	0.518	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-44.8	179.8	-70.6	165.8	0	0	0	110.6	Q280 I282 K288	Q280-I284 HydrophobicContact CG-CD1 4.15Å; Q280-I284 VanDerWaalsContact O-CG1 3.28Å; Q280-I284 WeakPolarHBondContact O-CG1 3.44Å; Q280-I284 PolarHBondContact O-N 3.48Å; I282-I284 PolarHBondContact O-N 3.25Å; I284-K288 PolarHBondContact O-N 2.89Å; I284-K288 VanDerWaalsContact O-N 3.07Å
285	K	94.7	Very high	90.1	Very high	69 Å²	69	50.4 Å²	50.4	30%	0.3	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-44.8	-179.9	-175.7	171.4	168.2	125.8	0	112.1	S281 I282 R283 K288 I289 E498 M502	S281-K285 WeakPolarHBondContact O-CB 3.44Å; S281-K285 PolarHBondContact O-N 2.94Å; S281-K285 VanDerWaalsContact O-N 3.11Å; I282-K285 PolarHBondContact O-N 3.07Å; R283-K285 VanDerWaalsContact C-N 3.3Å; R283-K285 PolarHBondContact O-N 2.82Å; K285-K288 PolarHBondContact O-N 3.33Å; K285-I289 HydrophobicContact CG-CD1 4.08Å; K285-I289 WeakPolarHBondContact O-CG1 3.44Å; K285-I289 PolarHBondContact O-N 2.78Å; K285-E498 VanDerWaalsContact CE-CD 3.44Å; K285-E498 WeakPolarHBondContact CE-OE1 3.42Å; K285-E498 WeakPolarHBondContact CE-OE2 3.41Å; K285-E498 IonicContact NZ-OE1 2.87Å; K285-E498 PolarHBondContact NZ-OE1 2.93Å; K285-E498 IonicContact NZ-OE2 3.19Å; K285-E498 PolarHBondContact NZ-OE2 3.17Å; K285-M502 HydrophobicContact CB-CE 4.33Å; K285-M502 HydrophobicContact CD-CE 3.87Å; K285-M502 HydrophobicContact CG-CE 3.77Å
286	L	95.8	Very high	91.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-44.4	177.6	-180	55.6	0	0	0	110.9	I282 R283 K288 I289 L290 L305 L367 M502 Y505 L506	I282-L286 VanDerWaalsContact O-CB 3.31Å; I282-L286 WeakPolarHBondContact O-CB 3.39Å; I282-L286 PolarHBondContact O-N 2.94Å; R283-L286 PolarHBondContact O-N 2.79Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.66Å; L286-I289 WeakPolarHBondContact O-CB 3.33Å; L286-I289 PolarHBondContact O-N 2.96Å; L286-I289 VanDerWaalsContact O-N 3.14Å; L286-L290 HydrophobicContact CD1-CD1 4.36Å; L286-L290 HydrophobicContact CD1-CD2 4.37Å; L286-L290 HydrophobicContact CD1-CG 4.1Å; L286-L290 HydrophobicContact CG-CD1 4.3Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.44Å; L286-L290 PolarHBondContact O-N 2.89Å; L286-L305 HydrophobicContact CD2-CD1 3.5Å; L286-L305 HydrophobicContact CG-CD1 4.16Å; L286-L367 HydrophobicContact CD1-CD2 3.99Å; L286-M502 HydrophobicContact CB-SD 4.44Å; L286-M502 HydrophobicContact CD1-SD 4Å; L286-Y505 HydrophobicContact CD2-CD1 4.22Å; L286-Y505 HydrophobicContact CD2-CE1 4.04Å; L286-L506 HydrophobicContact CD2-CD2 4.31Å
287	M	96.9	Very high	92.5	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-47.9	173.3	-83.1	-56.8	-56.8	0	0	111.8	R283 I289 L290 T291 E298 A301 E302 L305	R283-M287 WeakPolarHBondContact O-CB 3.26Å; R283-M287 WeakPolarHBondContact O-CG 3.43Å; R283-M287 PolarHBondContact O-N 2.66Å; M287-I289 VanDerWaalsContact C-N 3.29Å; M287-I289 PolarHBondContact O-N 3.5Å; M287-L290 PolarHBondContact O-N 2.85Å; M287-T291 WeakPolarHBondContact O-CB 3.17Å; M287-T291 PolarHBondContact O-N 2.89Å; M287-T291 PolarHBondContact O-OG1 2.67Å; M287-E298 HydrophobicContact CE-CG 4.28Å; M287-A301 HydrophobicContact CE-CB 4.21Å; M287-E302 HydrophobicContact CE-CB 3.71Å; M287-E302 HydrophobicContact CE-CG 4.37Å; M287-E302 HydrophobicContact SD-CB 4.26Å; M287-L305 HydrophobicContact CG-CD2 3.82Å; M287-L305 HydrophobicContact SD-CB 4Å; M287-L305 HydrophobicContact SD-CD2 3.54Å; M287-L305 VanDerWaalsContact SD-CD2 3.54Å; M287-L305 HydrophobicContact SD-CG 4.41Å
288	K	95.2	Very high	93.5	Very high	155 Å²	155	43.5 Å²	43.5	67%	0.674	23%	0.225	S	C	*	.	H	α-helix	trans	-58.5	-40.5	176.9	-176.3	177.7	178.8	179.1	0	112.7	I284 K285 L286 T292	I284-K288 PolarHBondContact O-N 2.89Å; I284-K288 VanDerWaalsContact O-N 3.07Å; K285-K288 PolarHBondContact O-N 3.33Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.66Å; K288-T292 WeakPolarHBondContact O-CB 3.47Å; K288-T292 PolarHBondContact O-N 3.03Å; K288-T292 PolarHBondContact O-OG1 2.65Å
289	I	95	Very high	94.1	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-48.8	177.2	-72.4	162.8	0	0	0	110.3	K285 L286 M287 T292 L293 F363 V490 I494 M502	K285-I289 HydrophobicContact CG-CD1 4.08Å; K285-I289 WeakPolarHBondContact O-CG1 3.44Å; K285-I289 PolarHBondContact O-N 2.78Å; L286-I289 WeakPolarHBondContact O-CB 3.33Å; L286-I289 PolarHBondContact O-N 2.96Å; L286-I289 VanDerWaalsContact O-N 3.14Å; M287-I289 VanDerWaalsContact C-N 3.29Å; M287-I289 PolarHBondContact O-N 3.5Å; I289-T292 WeakPolarHBondContact O-CB 3.07Å; I289-T292 PolarHBondContact O-N 3.4Å; I289-L293 PolarHBondContact O-N 2.84Å; I289-F363 HydrophobicContact CG2-CE2 3.52Å; I289-F363 HydrophobicContact CG2-CZ 3.5Å; I289-V490 HydrophobicContact CG2-CG1 3.8Å; I289-I494 HydrophobicContact CD1-CD1 3.73Å; I289-I494 HydrophobicContact CD1-CG1 4.02Å; I289-I494 HydrophobicContact CG1-CD1 4.16Å; I289-I494 HydrophobicContact CG1-CG1 4.5Å; I289-I494 HydrophobicContact CG2-CD1 4.07Å; I289-M502 HydrophobicContact CD1-CE 3.44Å; I289-M502 VanDerWaalsContact CD1-CE 3.44Å; I289-M502 HydrophobicContact CD1-SD 3.99Å
290	L	95.5	Very high	94.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-40.8	179.3	-64	-176.3	0	0	0	111.8	L286 M287 T292 L293 F294 A301 L304 L305 F363	L286-L290 HydrophobicContact CD1-CD1 4.36Å; L286-L290 HydrophobicContact CD1-CD2 4.37Å; L286-L290 HydrophobicContact CD1-CG 4.1Å; L286-L290 HydrophobicContact CG-CD1 4.3Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.44Å; L286-L290 PolarHBondContact O-N 2.89Å; M287-L290 PolarHBondContact O-N 2.85Å; L290-T292 VanDerWaalsContact C-N 3.27Å; L290-T292 PolarHBondContact O-N 3.07Å; L290-L293 HydrophobicContact CD2-CD2 4.26Å; L290-L293 VanDerWaalsContact O-CB 3.28Å; L290-L293 WeakPolarHBondContact O-CB 3.25Å; L290-L293 PolarHBondContact O-N 3.25Å; L290-L293 VanDerWaalsContact O-N 3.11Å; L290-F294 VanDerWaalsContact O-CD2 3.26Å; L290-F294 WeakPolarHBondContact O-CD2 3.33Å; L290-F294 PolarHBondContact O-N 3.29Å; L290-A301 HydrophobicContact CB-CB 3.73Å; L290-L304 HydrophobicContact CD1-CD2 4.44Å; L290-L304 HydrophobicContact CD1-CG 4.48Å; L290-L304 HydrophobicContact CD2-CD2 3.93Å; L290-L305 HydrophobicContact CD1-CB 3.96Å; L290-F363 HydrophobicContact CD2-CE1 3.81Å; L290-F363 HydrophobicContact CD2-CZ 4.31Å
291	T	95	Very high	94.8	Very high	30 Å²	30	36.7 Å²	36.7	18%	0.184	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-39.7	174.2	-57.5	0	0	0	0	111.1	M287 F294 N295 G296 E298	M287-T291 WeakPolarHBondContact O-CB 3.17Å; M287-T291 PolarHBondContact O-N 2.89Å; M287-T291 PolarHBondContact O-OG1 2.67Å; T291-F294 CarbonylContact O-C 3.6Å; T291-F294 PolarHBondContact O-N 3.2Å; T291-N295 PolarHBondContact O-N 3.32Å; T291-G296 PolarHBondContact O-N 3.44Å; T291-E298 HydrophobicContact CG2-CB 4.27Å
292	T	92.8	Very high	95.1	Very high	77 Å²	77	34 Å²	34	47%	0.472	17%	0.171	S	C	.	.	H	α-helix	trans	-65.6	-40.9	174.4	-53.7	0	0	0	0	111.3	K288 I289 L290 F294 N295 V490	K288-T292 WeakPolarHBondContact O-CB 3.47Å; K288-T292 PolarHBondContact O-N 3.03Å; K288-T292 PolarHBondContact O-OG1 2.65Å; I289-T292 WeakPolarHBondContact O-CB 3.07Å; I289-T292 PolarHBondContact O-N 3.4Å; L290-T292 VanDerWaalsContact C-N 3.27Å; L290-T292 PolarHBondContact O-N 3.07Å; T292-F294 VanDerWaalsContact C-N 3.28Å; T292-F294 PolarHBondContact O-N 3.14Å; T292-N295 PolarHBondContact O-N 3.46Å; T292-V490 HydrophobicContact CG2-CG2 4.34Å
293	L	92.7	Very high	95.3	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-38.9	177.6	-171.8	71.6	0	0	0	112.2	I289 L290 N295 R359 L360 F363 V490	I289-L293 PolarHBondContact O-N 2.84Å; L290-L293 HydrophobicContact CD2-CD2 4.26Å; L290-L293 VanDerWaalsContact O-CB 3.28Å; L290-L293 WeakPolarHBondContact O-CB 3.25Å; L290-L293 PolarHBondContact O-N 3.25Å; L290-L293 VanDerWaalsContact O-N 3.11Å; L293-N295 VanDerWaalsContact C-N 3.32Å; L293-R359 HydrophobicContact CD1-CB 3.95Å; L293-L360 HydrophobicContact CD2-CD2 3.65Å; L293-L360 HydrophobicContact CD2-CG 4.41Å; L293-F363 HydrophobicContact CD1-CB 4.31Å; L293-F363 HydrophobicContact CD1-CG 4.41Å; L293-F363 HydrophobicContact CD2-CD1 4Å; L293-F363 HydrophobicContact CD2-CE1 4.48Å; L293-F363 HydrophobicContact CD2-CG 4.36Å; L293-V490 HydrophobicContact CD1-CG2 4.39Å
294	F	93.5	Very high	95.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	19.2	176.4	-68.2	-71.2	0	0	0	114.2	L290 T291 T292 G296 D297 V300 A301 L304 I328 L356 L360 W478	L290-F294 VanDerWaalsContact O-CD2 3.26Å; L290-F294 WeakPolarHBondContact O-CD2 3.33Å; L290-F294 PolarHBondContact O-N 3.29Å; T291-F294 CarbonylContact O-C 3.6Å; T291-F294 PolarHBondContact O-N 3.2Å; T292-F294 VanDerWaalsContact C-N 3.28Å; T292-F294 PolarHBondContact O-N 3.14Å; F294-G296 PolarHBondContact O-N 3.49Å; F294-D297 HydrophobicContact CB-CB 4.09Å; F294-D297 PolarHBondContact O-N 3.15Å; F294-V300 HydrophobicContact CD1-CB 4.46Å; F294-V300 HydrophobicContact CD1-CG1 3.63Å; F294-V300 HydrophobicContact CD2-CB 4.5Å; F294-V300 HydrophobicContact CD2-CG1 4Å; F294-V300 HydrophobicContact CE1-CG1 3.54Å; F294-V300 HydrophobicContact CE2-CG1 3.9Å; F294-V300 HydrophobicContact CG-CB 4.34Å; F294-V300 HydrophobicContact CG-CG1 3.87Å; F294-V300 HydrophobicContact CZ-CG1 3.67Å; F294-A301 HydrophobicContact CD2-CB 4.09Å; F294-L304 HydrophobicContact CE2-CB 3.99Å; F294-L304 HydrophobicContact CE2-CD2 3.49Å; F294-L304 VanDerWaalsContact CE2-CD2 3.49Å; F294-L304 HydrophobicContact CE2-CG 4.35Å; F294-L304 HydrophobicContact CZ-CB 4.37Å; F294-L304 HydrophobicContact CZ-CD2 3.73Å; F294-I328 HydrophobicContact CE1-CD1 3.62Å; F294-I328 HydrophobicContact CZ-CD1 3.69Å; F294-L356 HydrophobicContact CD1-CD1 3.81Å; F294-L356 HydrophobicContact CD1-CD2 4.13Å; F294-L356 HydrophobicContact CE1-CD1 3.92Å; F294-L356 HydrophobicContact CE1-CD2 4.04Å; F294-L356 HydrophobicContact CE1-CG 4.46Å; F294-L360 HydrophobicContact CE1-CD1 4.42Å; F294-L360 HydrophobicContact CZ-CD2 4.24Å; F294-W478 PolarHBondContact O-NE1 2.88Å
295	N	91.2	Very high	95.5	Very high	18 Å²	18	26.6 Å²	26.6	10%	0.096	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	49.4	177.9	-64.4	103.7	0	0	0	114.4	T291 T292 L293 R359 P480 E481 S482	T291-N295 PolarHBondContact O-N 3.32Å; T292-N295 PolarHBondContact O-N 3.46Å; L293-N295 VanDerWaalsContact C-N 3.32Å; N295-R359 PolarHBondContact OD1-NH1 3.18Å; N295-P480 HydrophobicContact CB-CB 3.89Å; N295-E481 PolarHBondContact O-N 3.15Å; N295-S482 WeakPolarHBondContact CB-O 3.3Å
296	G	91.6	Very high	95.7	Very high	17 Å²	17	23.4 Å²	23.4	18%	0.175	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	-11	176.3	0	0	0	0	0	114.4	T291 F294 E298	T291-G296 PolarHBondContact O-N 3.44Å; F294-G296 PolarHBondContact O-N 3.49Å; G296-E298 PolarHBondContact O-N 3.2Å
297	D	94.5	Very high	95.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.011	12%	0.121	C	C	.	.			trans	-75.4	88.7	-179.1	-165.5	-14.5	0	0	0	112.3	F294 I299 V300 A301 E479 R583	F294-D297 HydrophobicContact CB-CB 4.09Å; F294-D297 PolarHBondContact O-N 3.15Å; D297-I299 VanDerWaalsContact C-N 3.29Å; D297-I299 PolarHBondContact O-N 3.17Å; D297-I299 PolarHBondContact OD1-N 3.1Å; D297-V300 HydrophobicContact CB-CB 4.43Å; D297-V300 PolarHBondContact OD1-N 3.38Å; D297-V300 WeakPolarHBondContact OD2-CG2 3.44Å; D297-A301 WeakPolarHBondContact O-CB 3.35Å; D297-A301 PolarHBondContact O-N 3.24Å; D297-A301 VanDerWaalsContact O-N 3.13Å; D297-E479 PolarHBondContact OD2-N 3.2Å; D297-R583 IonicContact OD1-CZ 3.27Å; D297-R583 VanDerWaalsContact OD1-CZ 3.28Å; D297-R583 IonicContact OD1-NH1 3.87Å; D297-R583 PolarHBondContact OD1-NH1 3.04Å; D297-R583 IonicContact OD1-NH2 3.58Å; D297-R583 PolarHBondContact OD1-NH2 3.43Å; D297-R583 IonicContact OD2-CZ 2.67Å; D297-R583 IonicContact OD2-NH1 2.63Å; D297-R583 PolarHBondContact OD2-NH1 2.83Å; D297-R583 IonicContact OD2-NH2 2.81Å
298	E	96.2	Very high	95.8	Very high	122 Å²	122	23 Å²	23	57%	0.57	12%	0.119	S	C	*	.	H	α-helix	trans	-62.7	-32.8	-179.9	-174.9	175.8	-161.6	0	0	112.9	M287 T291 G296 A301 E302	M287-E298 HydrophobicContact CE-CG 4.28Å; T291-E298 HydrophobicContact CG2-CB 4.27Å; G296-E298 PolarHBondContact O-N 3.2Å; E298-A301 PolarHBondContact O-N 3.22Å; E298-E302 WeakPolarHBondContact O-CB 3.47Å; E298-E302 PolarHBondContact O-N 3.11Å
299	I	97.5	Very high	95.7	Very high	25 Å²	25	15.7 Å²	15.7	13%	0.128	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-51.2	-178	-59.7	-171.6	0	0	0	109.7	D297 A301 E302 Y303 L576 K579	D297-I299 VanDerWaalsContact C-N 3.29Å; D297-I299 PolarHBondContact O-N 3.17Å; D297-I299 PolarHBondContact OD1-N 3.1Å; I299-A301 VanDerWaalsContact C-N 3.28Å; I299-A301 PolarHBondContact O-N 3.49Å; I299-E302 PolarHBondContact O-N 3.01Å; I299-Y303 HydrophobicContact CG2-CD2 3.86Å; I299-Y303 HydrophobicContact CG2-CE2 3.8Å; I299-Y303 VanDerWaalsContact O-CD2 3.24Å; I299-Y303 WeakPolarHBondContact O-CD2 3.49Å; I299-Y303 PolarHBondContact O-N 2.99Å; I299-L576 HydrophobicContact CG2-CD1 3.99Å; I299-K579 HydrophobicContact CD1-CB 3.62Å; I299-K579 HydrophobicContact CD1-CD 3.85Å; I299-K579 HydrophobicContact CD1-CG 4.26Å
300	V	97.1	Very high	95.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-38.3	178.5	176	0	0	0	0	110.8	F294 D297 E302 Y303 L304 I328 L476	F294-V300 HydrophobicContact CD1-CB 4.46Å; F294-V300 HydrophobicContact CD1-CG1 3.63Å; F294-V300 HydrophobicContact CD2-CB 4.5Å; F294-V300 HydrophobicContact CD2-CG1 4Å; F294-V300 HydrophobicContact CE1-CG1 3.54Å; F294-V300 HydrophobicContact CE2-CG1 3.9Å; F294-V300 HydrophobicContact CG-CB 4.34Å; F294-V300 HydrophobicContact CG-CG1 3.87Å; F294-V300 HydrophobicContact CZ-CG1 3.67Å; D297-V300 HydrophobicContact CB-CB 4.43Å; D297-V300 PolarHBondContact OD1-N 3.38Å; D297-V300 WeakPolarHBondContact OD2-CG2 3.44Å; V300-E302 PolarHBondContact O-N 3.21Å; V300-Y303 PolarHBondContact O-N 3.5Å; V300-L304 WeakPolarHBondContact O-CB 3.45Å; V300-L304 PolarHBondContact O-N 2.97Å; V300-I328 HydrophobicContact CG1-CD1 3.62Å; V300-I328 HydrophobicContact CG1-CG1 4.18Å; V300-I328 HydrophobicContact CG1-CG2 4.41Å; V300-L476 HydrophobicContact CG2-CB 4.42Å
301	A	97.6	Very high	95.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.1	-43.3	174.6	0	0	0	0	0	112.8	M287 L290 F294 D297 E298 I299 L304 L305	M287-A301 HydrophobicContact CE-CB 4.21Å; L290-A301 HydrophobicContact CB-CB 3.73Å; F294-A301 HydrophobicContact CD2-CB 4.09Å; D297-A301 WeakPolarHBondContact O-CB 3.35Å; D297-A301 PolarHBondContact O-N 3.24Å; D297-A301 VanDerWaalsContact O-N 3.13Å; E298-A301 PolarHBondContact O-N 3.22Å; I299-A301 VanDerWaalsContact C-N 3.28Å; I299-A301 PolarHBondContact O-N 3.49Å; A301-L304 PolarHBondContact O-N 3.12Å; A301-L305 PolarHBondContact O-N 2.83Å
302	E	98.4	Very high	95.5	Very high	12 Å²	12	17.6 Å²	17.6	6%	0.056	9%	0.092	C	C	.	.	H	α-helix	trans	-67.6	-44.5	179.1	-174.2	160.3	-143.5	0	0	111.6	R283 M287 E298 I299 V300 L304 L305 L306 Y556 H572 L576	R283-E302 IonicContact NH2-OE1 2.79Å; R283-E302 PolarHBondContact NH2-OE1 3.46Å; M287-E302 HydrophobicContact CE-CB 3.71Å; M287-E302 HydrophobicContact CE-CG 4.37Å; M287-E302 HydrophobicContact SD-CB 4.26Å; E298-E302 WeakPolarHBondContact O-CB 3.47Å; E298-E302 PolarHBondContact O-N 3.11Å; I299-E302 PolarHBondContact O-N 3.01Å; V300-E302 PolarHBondContact O-N 3.21Å; E302-L304 VanDerWaalsContact C-N 3.29Å; E302-L304 PolarHBondContact O-N 3.18Å; E302-L305 WeakPolarHBondContact O-CB 3.34Å; E302-L305 PolarHBondContact O-N 3.23Å; E302-L305 VanDerWaalsContact O-N 3.13Å; E302-L306 WeakPolarHBondContact O-CG 3.35Å; E302-L306 PolarHBondContact O-N 3.21Å; E302-Y556 VanDerWaalsContact OE1-CE2 3.24Å; E302-Y556 WeakPolarHBondContact OE1-CE2 3.27Å; E302-H572 VanDerWaalsContact CD-NE2 3.25Å; E302-H572 IonicContact OE1-CD2 3.98Å; E302-H572 IonicContact OE1-CE1 2.87Å; E302-H572 IonicContact OE1-NE2 3.7Å; E302-H572 PolarHBondContact OE1-NE2 2.89Å; E302-H572 IonicContact OE2-CE1 3.84Å; E302-H572 PolarHBondContact OE2-CE1 3.29Å; E302-H572 IonicContact OE2-NE2 3.49Å; E302-H572 PolarHBondContact OE2-NE2 2.9Å; E302-L576 HydrophobicContact CG-CD2 4.11Å
303	Y	98.5	Very high	95.4	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-61.1	-38	173.6	-83.1	-75.1	0	0	0	112.4	I299 V300 L305 L306 H307 L474 L476 L552 L576 E577 R580	I299-Y303 HydrophobicContact CG2-CD2 3.86Å; I299-Y303 HydrophobicContact CG2-CE2 3.8Å; I299-Y303 VanDerWaalsContact O-CD2 3.24Å; I299-Y303 WeakPolarHBondContact O-CD2 3.49Å; I299-Y303 PolarHBondContact O-N 2.99Å; V300-Y303 PolarHBondContact O-N 3.5Å; Y303-L305 VanDerWaalsContact C-N 3.34Å; Y303-L305 PolarHBondContact O-N 3.22Å; Y303-L306 PolarHBondContact O-N 3.38Å; Y303-H307 VanDerWaalsContact O-CB 3.26Å; Y303-H307 WeakPolarHBondContact O-CB 3.39Å; Y303-H307 PolarHBondContact O-N 2.87Å; Y303-L474 HydrophobicContact CD1-CD2 3.54Å; Y303-L474 HydrophobicContact CE1-CD2 3.83Å; Y303-L474 HydrophobicContact CG-CD2 4.49Å; Y303-L476 HydrophobicContact CD1-CD2 4.47Å; Y303-L476 HydrophobicContact CD2-CD1 4.38Å; Y303-L476 HydrophobicContact CD2-CD2 3.47Å; Y303-L476 VanDerWaalsContact CD2-CD2 3.47Å; Y303-L476 HydrophobicContact CE2-CD2 3.9Å; Y303-L476 HydrophobicContact CG-CD1 4.01Å; Y303-L476 HydrophobicContact CG-CD2 3.81Å; Y303-L552 HydrophobicContact CD1-CD2 4.23Å; Y303-L552 HydrophobicContact CE1-CD1 3.98Å; Y303-L552 HydrophobicContact CE1-CD2 4.06Å; Y303-L576 HydrophobicContact CD2-CD1 4.27Å; Y303-L576 HydrophobicContact CD2-CD2 4.46Å; Y303-L576 HydrophobicContact CD2-CG 4.39Å; Y303-L576 HydrophobicContact CE1-CD2 4.37Å; Y303-L576 HydrophobicContact CE2-CD1 3.73Å; Y303-L576 HydrophobicContact CE2-CD2 3.97Å; Y303-L576 HydrophobicContact CE2-CG 3.57Å; Y303-L576 PolarHBondContact OH-O 3.08Å; Y303-E577 PolarHBondContact OH-OE2 3.26Å; Y303-R580 HydrophobicContact CE2-CB 4.07Å; Y303-R580 HydrophobicContact CE2-CG 4.29Å; Y303-R580 VanDerWaalsContact CZ-CD 3.48Å; Y303-R580 WeakPolarHBondContact OH-CD 3.46Å; Y303-R580 PolarHBondContact OH-NE 3.34Å
304	L	98.1	Very high	94.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-41.7	173.8	-179.1	64.4	0	0	0	111.7	L290 F294 V300 A301 E302 L306 H307 L308 M326 L360 L461	L290-L304 HydrophobicContact CD1-CD2 4.44Å; L290-L304 HydrophobicContact CD1-CG 4.48Å; L290-L304 HydrophobicContact CD2-CD2 3.93Å; F294-L304 HydrophobicContact CE2-CB 3.99Å; F294-L304 HydrophobicContact CE2-CD2 3.49Å; F294-L304 VanDerWaalsContact CE2-CD2 3.49Å; F294-L304 HydrophobicContact CE2-CG 4.35Å; F294-L304 HydrophobicContact CZ-CB 4.37Å; F294-L304 HydrophobicContact CZ-CD2 3.73Å; V300-L304 WeakPolarHBondContact O-CB 3.45Å; V300-L304 PolarHBondContact O-N 2.97Å; A301-L304 PolarHBondContact O-N 3.12Å; E302-L304 VanDerWaalsContact C-N 3.29Å; E302-L304 PolarHBondContact O-N 3.18Å; L304-L306 PolarHBondContact O-N 3.31Å; L304-H307 WeakPolarHBondContact O-CB 3.3Å; L304-H307 PolarHBondContact O-N 3.03Å; L304-L308 HydrophobicContact CD1-CD1 4.31Å; L304-L308 HydrophobicContact CD1-CD2 4.47Å; L304-L308 HydrophobicContact CD1-CG 4.07Å; L304-L308 HydrophobicContact CD2-CD1 4.48Å; L304-L308 HydrophobicContact CG-CD1 4Å; L304-L308 HydrophobicContact CG-CG 4.21Å; L304-L308 WeakPolarHBondContact O-CB 3.42Å; L304-L308 VanDerWaalsContact O-CG 3.23Å; L304-L308 WeakPolarHBondContact O-CG 3.28Å; L304-L308 PolarHBondContact O-N 3.11Å; L304-M326 HydrophobicContact CB-CE 4.14Å; L304-M326 HydrophobicContact CD1-CE 3.55Å; L304-M326 HydrophobicContact CG-CE 4.46Å; L304-L360 HydrophobicContact CD2-CD2 4.1Å; L304-L461 HydrophobicContact CD1-CD2 3.96Å
305	L	98.1	Very high	94.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.9	-47.3	175.5	178.5	59.9	0	0	0	111.5	R283 L286 M287 L290 A301 E302 Y303 H307 L308 V309 Y505 L506 T559	R283-L305 HydrophobicContact CG-CD2 4.13Å; L286-L305 HydrophobicContact CD2-CD1 3.5Å; L286-L305 HydrophobicContact CG-CD1 4.16Å; M287-L305 HydrophobicContact CG-CD2 3.82Å; M287-L305 HydrophobicContact SD-CB 4Å; M287-L305 HydrophobicContact SD-CD2 3.54Å; M287-L305 VanDerWaalsContact SD-CD2 3.54Å; M287-L305 HydrophobicContact SD-CG 4.41Å; L290-L305 HydrophobicContact CD1-CB 3.96Å; A301-L305 PolarHBondContact O-N 2.83Å; E302-L305 WeakPolarHBondContact O-CB 3.34Å; E302-L305 PolarHBondContact O-N 3.23Å; E302-L305 VanDerWaalsContact O-N 3.13Å; Y303-L305 VanDerWaalsContact C-N 3.34Å; Y303-L305 PolarHBondContact O-N 3.22Å; L305-H307 VanDerWaalsContact C-N 3.31Å; L305-H307 PolarHBondContact O-N 3.32Å; L305-L308 PolarHBondContact O-N 3.03Å; L305-V309 PolarHBondContact O-N 2.81Å; L305-Y505 HydrophobicContact CD1-CE1 4.16Å; L305-L506 HydrophobicContact CD1-CD2 4.33Å; L305-T559 HydrophobicContact CD2-CG2 4.21Å; L305-T559 HydrophobicContact CG-CG2 4.11Å
306	L	97.9	Very high	93.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-40.7	178	-63.7	-179.2	0	0	0	111.8	E302 Y303 L304 V309 S310 L552 F555 Y556 T559 I573 L576	E302-L306 WeakPolarHBondContact O-CG 3.35Å; E302-L306 PolarHBondContact O-N 3.21Å; Y303-L306 PolarHBondContact O-N 3.38Å; L304-L306 PolarHBondContact O-N 3.31Å; L306-V309 VanDerWaalsContact O-CG2 3.29Å; L306-V309 WeakPolarHBondContact O-CG2 3.4Å; L306-V309 PolarHBondContact O-N 2.66Å; L306-S310 WeakPolarHBondContact O-CB 3.37Å; L306-S310 PolarHBondContact O-N 3.48Å; L306-L552 HydrophobicContact CB-CD2 4.39Å; L306-L552 HydrophobicContact CD1-CD2 3.8Å; L306-F555 HydrophobicContact CD2-CB 4.19Å; L306-Y556 VanDerWaalsContact CD2-CA 3.47Å; L306-Y556 HydrophobicContact CD2-CD2 4.35Å; L306-T559 HydrophobicContact CD2-CG2 3.96Å; L306-I573 HydrophobicContact CD1-CD1 4.45Å; L306-L576 HydrophobicContact CD1-CD2 4.25Å
307	H	97.4	Very high	92.8	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-49.7	172.8	173.2	84.9	0	0	0	111.3	Y303 L304 L305 V309 S310 M326 E410 R459 V460	Y303-H307 VanDerWaalsContact O-CB 3.26Å; Y303-H307 WeakPolarHBondContact O-CB 3.39Å; Y303-H307 PolarHBondContact O-N 2.87Å; L304-H307 WeakPolarHBondContact O-CB 3.3Å; L304-H307 PolarHBondContact O-N 3.03Å; L305-H307 VanDerWaalsContact C-N 3.31Å; L305-H307 PolarHBondContact O-N 3.32Å; H307-V309 VanDerWaalsContact C-N 3.25Å; H307-V309 PolarHBondContact O-N 3.06Å; H307-S310 WeakPolarHBondContact O-CB 3.49Å; H307-S310 PolarHBondContact O-N 3.27Å; H307-S310 PolarHBondContact O-OG 2.77Å; H307-M326 HydrophobicContact CB-CE 3.66Å; H307-M326 HydrophobicContact CB-SD 3.93Å; H307-E410 IonicContact CD2-OE1 3.74Å; H307-E410 IonicContact CD2-OE2 3.69Å; H307-E410 IonicContact CE1-OE1 2.82Å; H307-E410 VanDerWaalsContact NE2-CD 3.28Å; H307-E410 IonicContact NE2-OE1 2.81Å; H307-E410 PolarHBondContact NE2-OE1 3.36Å; H307-E410 IonicContact NE2-OE2 2.84Å; H307-E410 PolarHBondContact NE2-OE2 3.42Å; H307-R459 WeakPolarHBondContact O-CD 3.38Å; H307-V460 PolarHBondContact CE1-O 3.25Å
308	L	97.4	Very high	92.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-17.8	-178.5	-70.4	175.4	0	0	0	115	L304 L305 L364 L367 V368 R459 L506	L304-L308 HydrophobicContact CD1-CD1 4.31Å; L304-L308 HydrophobicContact CD1-CD2 4.47Å; L304-L308 HydrophobicContact CD1-CG 4.07Å; L304-L308 HydrophobicContact CD2-CD1 4.48Å; L304-L308 HydrophobicContact CG-CD1 4Å; L304-L308 HydrophobicContact CG-CG 4.21Å; L304-L308 WeakPolarHBondContact O-CB 3.42Å; L304-L308 VanDerWaalsContact O-CG 3.23Å; L304-L308 WeakPolarHBondContact O-CG 3.28Å; L304-L308 PolarHBondContact O-N 3.11Å; L305-L308 PolarHBondContact O-N 3.03Å; L308-L364 HydrophobicContact CD1-CD2 4.5Å; L308-L364 HydrophobicContact CD2-CD2 4.1Å; L308-L367 HydrophobicContact CD1-CD2 3.96Å; L308-V368 HydrophobicContact CD2-CG1 3.8Å; L308-R459 VanDerWaalsContact C-NH1 3.33Å; L308-R459 PolarHBondContact O-NH1 2.69Å; L308-L506 HydrophobicContact CB-CD1 4.47Å; L308-L506 HydrophobicContact CB-CD2 4.11Å
309	V	94.8	Very high	91.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-99.8	-10.3	171.9	-59.4	0	0	0	0	112.7	L305 L306 H307 L506 L509 F555 T559	L305-V309 PolarHBondContact O-N 2.81Å; L306-V309 VanDerWaalsContact O-CG2 3.29Å; L306-V309 WeakPolarHBondContact O-CG2 3.4Å; L306-V309 PolarHBondContact O-N 2.66Å; H307-V309 VanDerWaalsContact C-N 3.25Å; H307-V309 PolarHBondContact O-N 3.06Å; V309-L506 HydrophobicContact CG1-CD2 3.58Å; V309-L509 HydrophobicContact CB-CB 4.36Å; V309-L509 HydrophobicContact CG1-CB 4.19Å; V309-L509 HydrophobicContact CG1-CD1 3.92Å; V309-F555 HydrophobicContact CG2-CB 3.93Å; V309-F555 HydrophobicContact CG2-CG 4.44Å; V309-T559 HydrophobicContact CG1-CG2 4.35Å; V309-T559 HydrophobicContact CG2-CG2 3.91Å
310	S	95.3	Very high	91.3	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.028	21%	0.213	C	C	.	.			trans	-64.1	143.7	-175.5	71.8	0	0	0	0	112	L306 H307 R459	L306-S310 WeakPolarHBondContact O-CB 3.37Å; L306-S310 PolarHBondContact O-N 3.48Å; H307-S310 WeakPolarHBondContact O-CB 3.49Å; H307-S310 PolarHBondContact O-N 3.27Å; H307-S310 PolarHBondContact O-OG 2.77Å; S310-R459 PolarHBondContact O-NH1 2.9Å
311	T	93.3	Very high	91	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.08	22%	0.218	C	C	.	.			trans	-142.1	156	175.2	54.7	0	0	0	0	110	L313 S510 F555	T311-L313 PolarHBondContact O-N 3.44Å; T311-S510 VanDerWaalsContact CG2-CB 3.44Å; T311-F555 VanDerWaalsContact O-CZ 3.32Å; T311-F555 WeakPolarHBondContact O-CZ 3.44Å
312	R	91.7	Very high	90.8	Very high	66 Å²	66	42.2 Å²	42.2	25%	0.249	22%	0.222	C	C	.	.			trans	-65	127.2	171.6	-167	170.4	-179.2	-113.8	9.8	111	H322 D455 N457	R312-H322 HydrophobicContact CG-CB 4.46Å; R312-D455 IonicContact CZ-OD1 3.28Å; R312-D455 IonicContact CZ-OD2 3.62Å; R312-D455 IonicContact NH1-OD2 3.8Å; R312-D455 PolarHBondContact NH1-OD2 2.93Å; R312-D455 IonicContact NH2-OD1 2.7Å; R312-D455 PolarHBondContact NH2-OD1 3.21Å; R312-D455 IonicContact NH2-OD2 2.98Å; R312-D455 PolarHBondContact NH2-OD2 3.03Å; R312-N457 HydrophobicContact CB-CB 4.31Å; R312-N457 PolarHBondContact N-OD1 2.74Å
313	L	89.8	Confident	90.6	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.068	22%	0.222	C	C	.	.			trans	-83	134.4	176.8	-49.8	178.5	0	0	0	110	T311 T315 N321 N513 F555	T311-L313 PolarHBondContact O-N 3.44Å; L313-T315 VanDerWaalsContact C-N 3.3Å; L313-T315 HydrophobicContact CB-CG2 4.29Å; L313-T315 PolarHBondContact O-N 2.86Å; L313-N321 WeakPolarHBondContact CA-O 3.49Å; L313-N321 HydrophobicContact CB-CB 4.18Å; L313-N321 WeakPolarHBondContact CB-O 3.24Å; L313-N321 WeakPolarHBondContact CG-O 3.38Å; L313-N321 PolarHBondContact N-O 3.43Å; L313-N321 PolarHBondContact O-ND2 2.74Å; L313-N513 WeakPolarHBondContact CD2-ND2 3.4Å; L313-N513 VanDerWaalsContact CD2-OD1 3.22Å; L313-N513 WeakPolarHBondContact CD2-OD1 3.36Å; L313-F555 HydrophobicContact CD2-CE1 4.4Å; L313-F555 HydrophobicContact CD2-CZ 4.17Å
314	T	80.3	Confident	90.3	Very high	125 Å²	125	42.6 Å²	42.6	77%	0.767	23%	0.226	S	C	*	.			trans	-80.7	73.7	177.1	45.7	0	0	0	0	110.4
315	T	79.3	Confident	90.2	Very high	63 Å²	63	42.8 Å²	42.8	39%	0.387	23%	0.227	S	C	.	.			trans	-132.9	139.5	176.9	73.4	0	0	0	0	111.3	L313 S317 N321	L313-T315 VanDerWaalsContact C-N 3.3Å; L313-T315 HydrophobicContact CB-CG2 4.29Å; L313-T315 PolarHBondContact O-N 2.86Å; T315-S317 PolarHBondContact O-N 2.88Å; T315-N321 PolarHBondContact O-ND2 2.89Å; T315-N321 VanDerWaalsContact O-ND2 3.14Å; T315-N321 WeakPolarHBondContact OG1-CB 3.28Å
316	D	73.7	Confident	90.2	Very high	184 Å²	184	42.9 Å²	42.9	98%	0.984	23%	0.227	S	C	*	.			trans	-80.4	33.5	175.3	-66.9	-29.9	0	0	0	112.3
317	S	82.6	Confident	90.2	Very high	59 Å²	59	42.8 Å²	42.8	41%	0.413	23%	0.227	S	C	.	.			trans	-76.3	142.4	-179.3	-176	0	0	0	0	111	T315 Y319	T315-S317 PolarHBondContact O-N 2.88Å; S317-Y319 PolarHBondContact O-N 2.92Å; S317-Y319 PolarHBondContact OG-N 2.85Å; S317-Y319 VanDerWaalsContact OG-N 3.09Å
318	Q	84.1	Confident	90.2	Very high	163 Å²	163	42.6 Å²	42.6	76%	0.762	23%	0.226	S	C	*	.	S	Bend	trans	-71.4	-14.2	168	67.7	-177.4	-7.2	0	0	113
319	Y	86.6	Confident	90	Very high	98 Å²	98	43 Å²	43	38%	0.384	23%	0.228	S	C	.	.	S	Bend	trans	-97.4	157.6	-179.5	-59.9	-64.1	0	0	0	111.4	S317 N321 A543	S317-Y319 PolarHBondContact O-N 2.92Å; S317-Y319 PolarHBondContact OG-N 2.85Å; S317-Y319 VanDerWaalsContact OG-N 3.09Å; Y319-N321 PolarHBondContact O-N 2.88Å; Y319-A543 HydrophobicContact CD1-CB 3.89Å; Y319-A543 HydrophobicContact CE1-CB 3.37Å
320	P	86.4	Confident	89.6	Confident	40 Å²	40	43.6 Å²	43.6	26%	0.26	23%	0.233	S	C	.	.			trans	-46.2	124.9	177.9	-29.7	34	0	0	0	113	D544 A547 I548	P320-D544 HydrophobicContact CG-CB 4Å; P320-A547 HydrophobicContact CB-CB 4.25Å; P320-A547 HydrophobicContact CG-CB 4.31Å; P320-I548 HydrophobicContact CB-CG1 4.32Å
321	N	90.2	Very high	88.9	Confident	20 Å²	20	43.7 Å²	43.7	11%	0.107	23%	0.233	C	C	.	.			trans	-114.5	22	179.2	66.8	-3.6	0	0	0	111.5	L313 T315 Y319	L313-N321 WeakPolarHBondContact CA-O 3.49Å; L313-N321 HydrophobicContact CB-CB 4.18Å; L313-N321 WeakPolarHBondContact CB-O 3.24Å; L313-N321 WeakPolarHBondContact CG-O 3.38Å; L313-N321 PolarHBondContact N-O 3.43Å; L313-N321 PolarHBondContact O-ND2 2.74Å; T315-N321 PolarHBondContact O-ND2 2.89Å; T315-N321 VanDerWaalsContact O-ND2 3.14Å; T315-N321 WeakPolarHBondContact OG1-CB 3.28Å; Y319-N321 PolarHBondContact O-N 2.88Å
322	H	92.4	Very high	87.7	Confident	17 Å²	17	49.1 Å²	49.1	8%	0.079	25%	0.252	C	S	.	.	S	Bend	trans	-155.1	168.4	175	56.2	76.7	0	0	0	108.8	R312 I439	R312-H322 HydrophobicContact CG-CB 4.46Å; H322-I439 PolarHBondContact CE1-O 2.96Å
323	L	94.4	Very high	86.2	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.052	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-75.5	141.9	167	-62.2	-176.5	0	0	0	109.4	I548 C551 L552 F555	L323-I548 HydrophobicContact CD2-CG2 4.15Å; L323-C551 HydrophobicContact CD2-CB 3.66Å; L323-L552 HydrophobicContact CD1-CD2 4.04Å; L323-L552 HydrophobicContact CD2-CD2 3.79Å; L323-L552 HydrophobicContact CD2-CG 3.93Å; L323-F555 HydrophobicContact CD1-CD2 3.92Å; L323-F555 HydrophobicContact CD1-CE2 4.22Å; L323-F555 HydrophobicContact CD2-CD2 4.3Å; L323-F555 HydrophobicContact CD2-CE2 4.28Å; L323-F555 HydrophobicContact CG-CD2 3.95Å; L323-F555 HydrophobicContact CG-CE2 3.79Å
324	P	93.2	Very high	84.4	Confident	13 Å²	13	49.8 Å²	49.8	8%	0.084	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-70.3	167.7	167.8	32.1	-35.3	0	0	0	110.2	M326 S472 L474 I548	P324-M326 PolarHBondContact O-N 3.04Å; P324-S472 VanDerWaalsContact CB-O 3.25Å; P324-S472 WeakPolarHBondContact CB-O 3.47Å; P324-L474 HydrophobicContact CG-CB 4.19Å; P324-I548 HydrophobicContact CG-CD1 3.97Å
325	A	96.5	Very high	83.1	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.033	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-51.3	136.8	170.5	0	0	0	0	0	111.9	A438 V460 I462 T473 L474	A325-A438 HydrophobicContact CB-CB 3.72Å; A325-A438 WeakPolarHBondContact CB-O 3.38Å; A325-A438 PolarHBondContact N-O 3.25Å; A325-V460 CarbonylContact C-O 3.53Å; A325-V460 WeakPolarHBondContact CA-O 3.37Å; A325-V460 HydrophobicContact CB-CB 3.72Å; A325-V460 HydrophobicContact CB-CG1 4.09Å; A325-I462 HydrophobicContact CB-CD1 4.19Å; A325-T473 HydrophobicContact CB-CG2 4.1Å; A325-T473 CarbonylContact O-C 3.54Å; A325-T473 VanDerWaalsContact O-CA 3.23Å; A325-T473 WeakPolarHBondContact O-CA 3.19Å; A325-T473 VanDerWaalsContact O-CB 3.24Å; A325-T473 WeakPolarHBondContact O-CB 3.47Å; A325-L474 PolarHBondContact O-N 2.92Å
326	M	97.4	Very high	81.8	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.1	-179.3	-176.3	168.6	67.9	0	0	109.6	L304 H307 P324 V460 L461 I462 L476	L304-M326 HydrophobicContact CB-CE 4.14Å; L304-M326 HydrophobicContact CD1-CE 3.55Å; L304-M326 HydrophobicContact CG-CE 4.46Å; H307-M326 HydrophobicContact CB-CE 3.66Å; H307-M326 HydrophobicContact CB-SD 3.93Å; P324-M326 PolarHBondContact O-N 3.04Å; M326-V460 PolarHBondContact N-O 3.3Å; M326-L461 HydrophobicContact CE-CD1 3.64Å; M326-L461 WeakPolarHBondContact O-CA 3.35Å; M326-I462 PolarHBondContact O-N 3.26Å; M326-L476 HydrophobicContact CG-CD1 3.55Å; M326-L476 HydrophobicContact CG-CG 4.48Å; M326-L476 HydrophobicContact SD-CD1 3.46Å; M326-L476 WeakPolarHBondContact SD-CD1 3.3Å
327	N	97.7	Very high	80.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.5	179.4	175.1	-131	0	0	0	111.1	I462 S464 S468 L474 L475 L476	N327-I462 CarbonylContact C-O 3.6Å; N327-I462 WeakPolarHBondContact CA-O 3.06Å; N327-I462 HydrophobicContact CB-CB 4.3Å; N327-I462 PolarHBondContact ND2-O 3.42Å; N327-S464 PolarHBondContact ND2-OG 3.39Å; N327-S464 PolarHBondContact OD1-OG 2.8Å; N327-S468 PolarHBondContact OD1-N 3.02Å; N327-L474 PolarHBondContact N-O 3.28Å; N327-L475 HydrophobicContact CB-CD2 4.15Å; N327-L475 WeakPolarHBondContact OD1-CD2 3.25Å; N327-L476 PolarHBondContact O-N 2.71Å
328	I	96.6	Very high	79.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.5	173.4	-57	178.6	0	0	0	107.8	F294 V300 L356 L461 I462 L463 S464 L476 W478	F294-I328 HydrophobicContact CE1-CD1 3.62Å; F294-I328 HydrophobicContact CZ-CD1 3.69Å; V300-I328 HydrophobicContact CG1-CD1 3.62Å; V300-I328 HydrophobicContact CG1-CG1 4.18Å; V300-I328 HydrophobicContact CG1-CG2 4.41Å; I328-L356 HydrophobicContact CG2-CD2 4.43Å; I328-L461 HydrophobicContact CD1-CD1 3.68Å; I328-L461 HydrophobicContact CG1-CD1 3.91Å; I328-I462 PolarHBondContact N-O 3.44Å; I328-L463 WeakPolarHBondContact O-CA 3.15Å; I328-S464 PolarHBondContact O-N 3.36Å; I328-S464 VanDerWaalsContact O-N 3.14Å; I328-L476 WeakPolarHBondContact CA-O 3.35Å; I328-L476 HydrophobicContact CG1-CB 4.35Å; I328-L476 HydrophobicContact CG1-CD1 4.35Å; I328-W478 HydrophobicContact CG2-CB 3.8Å; I328-W478 HydrophobicContact CG2-CG 4.4Å
329	Y	93.5	Very high	77.8	Confident	9 Å²	9	44 Å²	44	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.3	179.8	72.1	-85.7	0	0	0	112.9	S331 S464 P467 L475 L476 P477 W478 S587	Y329-S331 PolarHBondContact O-N 3.49Å; Y329-S464 WeakPolarHBondContact CA-O 3.38Å; Y329-S464 VanDerWaalsContact CB-O 3.3Å; Y329-S464 WeakPolarHBondContact CB-O 3.47Å; Y329-P467 HydrophobicContact CD1-CG 4.44Å; Y329-P467 HydrophobicContact CD2-CG 4.19Å; Y329-P467 HydrophobicContact CE1-CG 4.16Å; Y329-P467 HydrophobicContact CE2-CG 3.9Å; Y329-P467 HydrophobicContact CG-CG 4.43Å; Y329-L475 HydrophobicContact CE1-CB 4.13Å; Y329-L475 HydrophobicContact CE1-CD2 4.36Å; Y329-L476 PolarHBondContact N-O 2.95Å; Y329-P477 HydrophobicContact CE1-CB 4.23Å; Y329-P477 HydrophobicContact CE1-CG 3.97Å; Y329-P477 HydrophobicContact CE2-CB 4.17Å; Y329-P477 HydrophobicContact CE2-CG 4.46Å; Y329-P477 WeakPolarHBondContact OH-CG 3.35Å; Y329-W478 PolarHBondContact O-N 2.91Å; Y329-S587 PolarHBondContact OH-OG 3.26Å
330	A	87.1	Confident	76	Confident	13 Å²	13	43.7 Å²	43.7	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	125.4	-177.6	0	0	0	0	0	111.9	D349 L353	A330-D349 HydrophobicContact CB-CB 4.01Å; A330-L353 HydrophobicContact CB-CD1 3.78Å; A330-L353 HydrophobicContact CB-CG 4.35Å
331	S	81.1	Confident	74.2	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.042	27%	0.27	C	S	.	.			trans	-86.5	123.1	165.5	-172.9	0	0	0	0	109.7	Y329 S333 W478 E479	Y329-S331 PolarHBondContact O-N 3.49Å; S331-S333 PolarHBondContact O-N 3.21Å; S331-W478 WeakPolarHBondContact CB-O 3.13Å; S331-W478 PolarHBondContact N-O 2.93Å; S331-E479 PolarHBondContact OG-OE1 2.9Å
332	R	67.4	Low	72.2	Confident	127 Å²	127	54.4 Å²	54.4	48%	0.479	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.2	-179.2	-69.6	-177.5	175.2	-177.3	-0.9	114.3	Q590	R332-Q590 HydrophobicContact CB-CB 4.48Å
333	S	59.1	Low	70.3	Confident	32 Å²	32	61.4 Å²	61.4	22%	0.224	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-26.7	-161.4	-163.7	0	0	0	0	115.6	S331 Q590	S331-S333 PolarHBondContact O-N 3.21Å; S333-Q590 VanDerWaalsContact CA-OE1 3.31Å; S333-Q590 VanDerWaalsContact CB-NE2 3.26Å; S333-Q590 VanDerWaalsContact N-OE1 3.12Å; S333-Q590 PolarHBondContact OG-NE2 3.02Å
334	I	52.8	Low	68.5	Low	62 Å²	62	65.4 Å²	65.4	32%	0.318	36%	0.36	S	S	.	.	S	Bend	trans	-111.7	-48.3	-164	-60.1	176.8	0	0	0	113.3	A336 K337 E479	I334-A336 PolarHBondContact O-N 3.02Å; I334-K337 PolarHBondContact O-N 3.11Å; I334-E479 HydrophobicContact CD1-CB 3.63Å; I334-E479 HydrophobicContact CD1-CG 4.03Å
335	I	52.4	Low	67.1	Low	22 Å²	22	68.4 Å²	68.4	11%	0.113	38%	0.381	C	S	.	.	H	α-helix	trans	-74	-28.8	-166.6	-62.8	150.6	0	0	0	112.5	K337 S338 L339 I348 I352 P480	I335-K337 PolarHBondContact O-N 2.94Å; I335-K337 VanDerWaalsContact O-N 3.11Å; I335-S338 PolarHBondContact O-N 2.93Å; I335-L339 HydrophobicContact CG2-CD1 4.49Å; I335-L339 PolarHBondContact O-N 3.35Å; I335-I348 HydrophobicContact CG2-CG2 3.76Å; I335-I352 HydrophobicContact CB-CD1 4.47Å; I335-I352 HydrophobicContact CD1-CD1 3.57Å; I335-I352 HydrophobicContact CD1-CG2 4.31Å; I335-I352 HydrophobicContact CG1-CD1 4.1Å; I335-I352 HydrophobicContact CG2-CD1 3.7Å; I335-P480 HydrophobicContact CD1-CG 4.41Å
336	A	51.9	Low	65.6	Low	66 Å²	66	72.3 Å²	72.3	55%	0.545	41%	0.405	S	S	.	.	H	α-helix	trans	-58.5	-26	175.1	0	0	0	0	0	113.2	I334 S340	I334-A336 PolarHBondContact O-N 3.02Å; A336-S340 WeakPolarHBondContact O-CB 3.48Å; A336-S340 PolarHBondContact O-N 2.95Å
337	K	51.5	Low	64.6	Low	176 Å²	176	77.1 Å²	77.1	77%	0.765	43%	0.431	S	S	*	.	H	α-helix	trans	-81.9	-28.6	-179.4	-72.1	174.9	-178.3	164	0	113.8	I334 I335	I334-K337 PolarHBondContact O-N 3.11Å; I335-K337 PolarHBondContact O-N 2.94Å; I335-K337 VanDerWaalsContact O-N 3.11Å
338	S	51.5	Low	63.9	Low	104 Å²	104	79.4 Å²	79.4	73%	0.727	44%	0.442	S	S	*	.	H	α-helix	trans	-91	-24.5	-177.9	-170	0	0	0	0	113.4	I335	I335-S338 PolarHBondContact O-N 2.93Å
339	L	53.3	Low	63.4	Low	104 Å²	104	80.4 Å²	80.4	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-117	8.6	-176.6	-86.7	88.2	0	0	0	114.5	I335 N341	I335-L339 HydrophobicContact CG2-CD1 4.49Å; I335-L339 PolarHBondContact O-N 3.35Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.06Å
340	S	49.3	Very low	63.2	Low	91 Å²	91	83.4 Å²	83.4	64%	0.636	46%	0.461	S	S	*	.			trans	-63.8	89	175.8	166.5	0	0	0	0	112.4	A336	A336-S340 WeakPolarHBondContact O-CB 3.48Å; A336-S340 PolarHBondContact O-N 2.95Å
341	N	49.1	Very low	63.3	Low	143 Å²	143	88.2 Å²	88.2	77%	0.765	48%	0.477	S	S	*	.	S	Bend	trans	-152.1	76.6	130.3	-89.8	-17.1	0	0	0	105.6	L339	L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.06Å
342	N	49	Very low	63.7	Low	142 Å²	142	88.2 Å²	88.2	76%	0.759	48%	0.477	S	S	*	.	S	Bend	trans	174.2	150.4	153.6	-83.7	-21.1	0	0	0	111.5	D344	N342-D344 VanDerWaalsContact C-N 3.26Å; N342-D344 PolarHBondContact O-N 3.1Å; N342-D344 VanDerWaalsContact O-N 3.17Å
343	N	51.6	Low	64.9	Low	164 Å²	164	82.2 Å²	82.2	88%	0.877	45%	0.454	S	S	*	.	S	Bend	trans	-76.4	12	-170.2	-79.7	-20.9	0	0	0	116	S345	N343-S345 PolarHBondContact O-N 3.05Å
344	D	57.6	Low	66.5	Low	95 Å²	95	82.5 Å²	82.5	51%	0.508	46%	0.456	S	S	.	.			trans	-104.1	48.2	-168.8	-59.3	-27.8	0	0	0	113.4	N342 V346 D347 I348	N342-D344 VanDerWaalsContact C-N 3.26Å; N342-D344 PolarHBondContact O-N 3.1Å; N342-D344 VanDerWaalsContact O-N 3.17Å; D344-V346 PolarHBondContact O-N 2.89Å; D344-D347 HydrophobicContact CB-CB 4.41Å; D344-D347 PolarHBondContact O-N 3.36Å; D344-I348 WeakPolarHBondContact O-CG1 3.36Å; D344-I348 PolarHBondContact O-N 3.46Å
345	S	62.1	Low	68.3	Low	75 Å²	75	81.1 Å²	81.1	52%	0.524	45%	0.448	S	S	.	.	H	α-helix	trans	-56.9	-39.7	-175.8	57.4	0	0	0	0	114.9	N343 D347 I348 D349	N343-S345 PolarHBondContact O-N 3.05Å; S345-D347 VanDerWaalsContact C-N 3.34Å; S345-D347 PolarHBondContact O-N 3.41Å; S345-I348 PolarHBondContact O-N 3.42Å; S345-D349 PolarHBondContact O-N 3.41Å
346	V	65	Low	70.3	Confident	86 Å²	86	80.1 Å²	80.1	52%	0.521	44%	0.442	S	S	.	.	H	α-helix	trans	-66.2	-37.1	-178.9	179	0	0	0	0	111.6	D344 I348 K350	D344-V346 PolarHBondContact O-N 2.89Å; V346-I348 VanDerWaalsContact C-N 3.31Å; V346-K350 WeakPolarHBondContact O-CB 3.49Å; V346-K350 PolarHBondContact O-N 2.87Å; V346-K350 VanDerWaalsContact O-N 3.1Å
347	D	78	Confident	72.3	Confident	103 Å²	103	78.1 Å²	78.1	55%	0.551	42%	0.421	S	S	*	.	H	α-helix	trans	-70.7	-31.2	179	-69.6	-36.1	0	0	0	111.6	D344 S345 Y351	D344-D347 HydrophobicContact CB-CB 4.41Å; D344-D347 PolarHBondContact O-N 3.36Å; S345-D347 VanDerWaalsContact C-N 3.34Å; S345-D347 PolarHBondContact O-N 3.41Å; D347-Y351 VanDerWaalsContact O-CB 3.24Å; D347-Y351 WeakPolarHBondContact O-CB 3.5Å; D347-Y351 PolarHBondContact O-N 3.15Å
348	I	82.4	Confident	74.4	Confident	47 Å²	47	73.8 Å²	73.8	24%	0.241	41%	0.406	C	S	.	.	H	α-helix	trans	-68.5	-49.8	175.6	-63.2	168.2	0	0	0	111	I335 D344 S345 V346 K350 Y351 I352	I335-I348 HydrophobicContact CG2-CG2 3.76Å; D344-I348 WeakPolarHBondContact O-CG1 3.36Å; D344-I348 PolarHBondContact O-N 3.46Å; S345-I348 PolarHBondContact O-N 3.42Å; V346-I348 VanDerWaalsContact C-N 3.31Å; I348-K350 VanDerWaalsContact C-N 3.29Å; I348-K350 PolarHBondContact O-N 2.98Å; I348-Y351 WeakPolarHBondContact O-CB 3.42Å; I348-Y351 PolarHBondContact O-N 3.24Å; I348-Y351 VanDerWaalsContact O-N 3.17Å; I348-I352 HydrophobicContact CG2-CD1 3.68Å; I348-I352 HydrophobicContact CG2-CG1 4.45Å; I348-I352 WeakPolarHBondContact O-CG1 3.36Å; I348-I352 PolarHBondContact O-N 3.36Å
349	D	86	Confident	76.4	Confident	22 Å²	22	70.8 Å²	70.8	12%	0.118	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-44	178.7	-73.7	-20.4	0	0	0	110.7	A330 S345 Y351 I352 L353	A330-D349 HydrophobicContact CB-CB 4.01Å; S345-D349 PolarHBondContact O-N 3.41Å; D349-Y351 PolarHBondContact O-N 2.89Å; D349-I352 PolarHBondContact O-N 3.47Å; D349-L353 WeakPolarHBondContact O-CB 3.24Å; D349-L353 WeakPolarHBondContact O-CG 3.37Å; D349-L353 PolarHBondContact O-N 2.89Å
350	K	89.3	Confident	78.4	Confident	72 Å²	72	65.8 Å²	65.8	31%	0.313	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-46.3	175.1	-176	172	-175.6	174	0	111.7	V346 I348 S354 I416 I465	V346-K350 WeakPolarHBondContact O-CB 3.49Å; V346-K350 PolarHBondContact O-N 2.87Å; V346-K350 VanDerWaalsContact O-N 3.1Å; I348-K350 VanDerWaalsContact C-N 3.29Å; I348-K350 PolarHBondContact O-N 2.98Å; K350-S354 VanDerWaalsContact O-CB 3.28Å; K350-S354 WeakPolarHBondContact O-CB 3.41Å; K350-S354 PolarHBondContact O-N 3.42Å; K350-S354 PolarHBondContact O-OG 3.4Å; K350-I416 HydrophobicContact CG-CG2 3.76Å; K350-I465 HydrophobicContact CB-CD1 3.96Å; K350-I465 HydrophobicContact CD-CD1 4.38Å; K350-I465 HydrophobicContact CG-CD1 4.15Å
351	Y	88.7	Confident	80.6	Confident	114 Å²	114	64.9 Å²	64.9	45%	0.447	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-48.7	178.8	171.3	-100.8	0	0	0	112	D347 I348 D349 S354 K355 F483 D485	D347-Y351 VanDerWaalsContact O-CB 3.24Å; D347-Y351 WeakPolarHBondContact O-CB 3.5Å; D347-Y351 PolarHBondContact O-N 3.15Å; I348-Y351 WeakPolarHBondContact O-CB 3.42Å; I348-Y351 PolarHBondContact O-N 3.24Å; I348-Y351 VanDerWaalsContact O-N 3.17Å; D349-Y351 PolarHBondContact O-N 2.89Å; Y351-S354 WeakPolarHBondContact O-CB 3.09Å; Y351-S354 PolarHBondContact O-N 2.95Å; Y351-K355 HydrophobicContact CE1-CG 4.48Å; Y351-K355 HydrophobicContact CE2-CG 4.42Å; Y351-K355 PolarHBondContact O-N 3.49Å; Y351-F483 HydrophobicContact CE1-CE1 4.2Å; Y351-F483 HydrophobicContact CE1-CZ 4.46Å; Y351-D485 PolarHBondContact OH-OD2 3.05Å; Y351-D485 VanDerWaalsContact OH-OD2 3.1Å
352	I	89.3	Confident	82.7	Confident	6 Å²	6	62 Å²	62	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-44.3	-178	-71.7	170.8	0	0	0	111.3	I335 I348 D349 S354 K355 L356 W478 F483	I335-I352 HydrophobicContact CB-CD1 4.47Å; I335-I352 HydrophobicContact CD1-CD1 3.57Å; I335-I352 HydrophobicContact CD1-CG2 4.31Å; I335-I352 HydrophobicContact CG1-CD1 4.1Å; I335-I352 HydrophobicContact CG2-CD1 3.7Å; I348-I352 HydrophobicContact CG2-CD1 3.68Å; I348-I352 HydrophobicContact CG2-CG1 4.45Å; I348-I352 WeakPolarHBondContact O-CG1 3.36Å; I348-I352 PolarHBondContact O-N 3.36Å; D349-I352 PolarHBondContact O-N 3.47Å; I352-S354 VanDerWaalsContact C-N 3.32Å; I352-S354 PolarHBondContact O-N 3.12Å; I352-K355 WeakPolarHBondContact O-CB 3.49Å; I352-K355 PolarHBondContact O-N 3.42Å; I352-L356 PolarHBondContact O-N 3.22Å; I352-W478 HydrophobicContact CG2-CH2 3.61Å; I352-W478 HydrophobicContact CG2-CZ3 3.44Å; I352-W478 VanDerWaalsContact CG2-CZ3 3.44Å; I352-F483 HydrophobicContact CB-CD2 4.38Å; I352-F483 HydrophobicContact CB-CE2 4.04Å; I352-F483 HydrophobicContact CB-CZ 4.31Å; I352-F483 HydrophobicContact CD1-CD1 4.29Å; I352-F483 HydrophobicContact CD1-CD2 4.37Å; I352-F483 HydrophobicContact CD1-CG 4.18Å; I352-F483 HydrophobicContact CG1-CD1 4.13Å; I352-F483 HydrophobicContact CG1-CD2 4.05Å; I352-F483 HydrophobicContact CG1-CE1 3.94Å; I352-F483 HydrophobicContact CG1-CE2 3.86Å; I352-F483 HydrophobicContact CG1-CG 4.18Å; I352-F483 HydrophobicContact CG1-CZ 3.8Å; I352-F483 HydrophobicContact CG2-CD2 3.64Å; I352-F483 HydrophobicContact CG2-CE2 3.55Å; I352-F483 HydrophobicContact CG2-CG 4.47Å; I352-F483 HydrophobicContact CG2-CZ 4.31Å
353	L	92.4	Very high	84.9	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-36.1	174.4	-78.1	171.6	0	0	0	112.5	A330 D349 K355 L356 Y357 I416 S464 I465 W478	A330-L353 HydrophobicContact CB-CD1 3.78Å; A330-L353 HydrophobicContact CB-CG 4.35Å; D349-L353 WeakPolarHBondContact O-CB 3.24Å; D349-L353 WeakPolarHBondContact O-CG 3.37Å; D349-L353 PolarHBondContact O-N 2.89Å; L353-K355 VanDerWaalsContact C-N 3.31Å; L353-K355 PolarHBondContact O-N 3.38Å; L353-L356 HydrophobicContact CD2-CD2 4.39Å; L353-L356 PolarHBondContact O-N 3.23Å; L353-Y357 WeakPolarHBondContact O-CB 3.28Å; L353-Y357 PolarHBondContact O-N 2.99Å; L353-I416 HydrophobicContact CB-CD1 3.79Å; L353-I416 HydrophobicContact CB-CG1 4.15Å; L353-I416 WeakPolarHBondContact O-CD1 3.45Å; L353-S464 VanDerWaalsContact CD1-O 3.22Å; L353-S464 WeakPolarHBondContact CD1-O 3.22Å; L353-I465 HydrophobicContact CD1-CG1 4.18Å; L353-W478 HydrophobicContact CD2-CE3 3.9Å; L353-W478 HydrophobicContact CD2-CZ3 4.16Å
354	S	93	Very high	87	Confident	37 Å²	37	47.4 Å²	47.4	26%	0.259	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-39	176	-60.9	0	0	0	0	111.3	K350 Y351 I352 Y357 N358	K350-S354 VanDerWaalsContact O-CB 3.28Å; K350-S354 WeakPolarHBondContact O-CB 3.41Å; K350-S354 PolarHBondContact O-N 3.42Å; K350-S354 PolarHBondContact O-OG 3.4Å; Y351-S354 WeakPolarHBondContact O-CB 3.09Å; Y351-S354 PolarHBondContact O-N 2.95Å; I352-S354 VanDerWaalsContact C-N 3.32Å; I352-S354 PolarHBondContact O-N 3.12Å; S354-Y357 PolarHBondContact O-N 3.48Å; S354-N358 VanDerWaalsContact O-CG 3.27Å; S354-N358 PolarHBondContact O-N 3.27Å; S354-N358 PolarHBondContact O-ND2 3.08Å
355	K	91.8	Very high	88.8	Confident	34 Å²	34	44.2 Å²	44.2	15%	0.148	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-43.9	172.8	-74.1	-75	-171	145.3	0	111.7	Y351 I352 L353 Y357 N358 R359 F483 D485 E487	Y351-K355 HydrophobicContact CE1-CG 4.48Å; Y351-K355 HydrophobicContact CE2-CG 4.42Å; Y351-K355 PolarHBondContact O-N 3.49Å; I352-K355 WeakPolarHBondContact O-CB 3.49Å; I352-K355 PolarHBondContact O-N 3.42Å; L353-K355 VanDerWaalsContact C-N 3.31Å; L353-K355 PolarHBondContact O-N 3.38Å; K355-Y357 PolarHBondContact O-N 2.86Å; K355-N358 PolarHBondContact O-N 3.4Å; K355-R359 WeakPolarHBondContact O-CG 2.94Å; K355-R359 PolarHBondContact O-N 3.03Å; K355-F483 HydrophobicContact CB-CZ 4.25Å; K355-F483 HydrophobicContact CG-CZ 4.43Å; K355-D485 WeakPolarHBondContact CE-OD1 3.43Å; K355-D485 IonicContact NZ-OD1 3.47Å; K355-D485 PolarHBondContact NZ-OD1 2.8Å; K355-D485 IonicContact NZ-OD2 3.7Å; K355-D485 PolarHBondContact NZ-OD2 2.86Å; K355-D485 VanDerWaalsContact NZ-OD2 3.1Å; K355-E487 IonicContact NZ-OE1 3.69Å; K355-E487 PolarHBondContact NZ-OE1 3.4Å
356	L	93.1	Very high	90.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-44.6	174.5	178.2	63.8	0	0	0	111.8	F294 I328 I352 L353 N358 R359 L360 L463 W478	F294-L356 HydrophobicContact CD1-CD1 3.81Å; F294-L356 HydrophobicContact CD1-CD2 4.13Å; F294-L356 HydrophobicContact CE1-CD1 3.92Å; F294-L356 HydrophobicContact CE1-CD2 4.04Å; F294-L356 HydrophobicContact CE1-CG 4.46Å; I328-L356 HydrophobicContact CG2-CD2 4.43Å; I352-L356 PolarHBondContact O-N 3.22Å; L353-L356 HydrophobicContact CD2-CD2 4.39Å; L353-L356 PolarHBondContact O-N 3.23Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 3.11Å; L356-R359 PolarHBondContact O-N 3.36Å; L356-L360 HydrophobicContact CD1-CD1 4.27Å; L356-L360 HydrophobicContact CD1-CG 4.45Å; L356-L360 HydrophobicContact CG-CD1 4.06Å; L356-L360 PolarHBondContact O-N 2.82Å; L356-L463 HydrophobicContact CB-CD2 4.43Å; L356-L463 HydrophobicContact CD2-CD2 4.08Å; L356-L463 HydrophobicContact CG-CD2 4.03Å; L356-W478 HydrophobicContact CB-CH2 3.92Å; L356-W478 HydrophobicContact CB-CZ3 3.9Å; L356-W478 HydrophobicContact CD1-CH2 4.39Å; L356-W478 HydrophobicContact CD1-CZ2 4.41Å; L356-W478 HydrophobicContact CD2-CD2 3.89Å; L356-W478 HydrophobicContact CD2-CE3 3.59Å; L356-W478 HydrophobicContact CD2-CH2 3.9Å; L356-W478 HydrophobicContact CD2-CZ2 4.18Å; L356-W478 HydrophobicContact CD2-CZ3 3.56Å; L356-W478 HydrophobicContact CG-CH2 4.28Å; L356-W478 HydrophobicContact CG-CZ3 4.27Å
357	Y	95.4	Very high	91.8	Very high	25 Å²	25	39.1 Å²	39.1	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-48	175.8	179.1	-87.5	0	0	0	111.2	L353 S354 K355 R359 L360 H361 L412 N414 L463	L353-Y357 WeakPolarHBondContact O-CB 3.28Å; L353-Y357 PolarHBondContact O-N 2.99Å; S354-Y357 PolarHBondContact O-N 3.48Å; K355-Y357 PolarHBondContact O-N 2.86Å; Y357-R359 VanDerWaalsContact C-N 3.33Å; Y357-R359 PolarHBondContact O-N 3.4Å; Y357-L360 PolarHBondContact O-N 3.27Å; Y357-H361 HydrophobicContact CD1-CB 4.48Å; Y357-H361 HydrophobicContact CE1-CB 4.18Å; Y357-H361 VanDerWaalsContact O-CB 3.23Å; Y357-H361 WeakPolarHBondContact O-CB 3.37Å; Y357-H361 PolarHBondContact O-N 3.07Å; Y357-L412 HydrophobicContact CD2-CD1 4.43Å; Y357-L412 HydrophobicContact CD2-CD2 4.17Å; Y357-L412 HydrophobicContact CD2-CG 4.21Å; Y357-L412 HydrophobicContact CE2-CD1 4.25Å; Y357-L412 HydrophobicContact CE2-CD2 3.67Å; Y357-L412 HydrophobicContact CE2-CG 3.59Å; Y357-N414 HydrophobicContact CD2-CB 3.94Å; Y357-N414 HydrophobicContact CE2-CB 3.44Å; Y357-N414 VanDerWaalsContact CE2-CB 3.44Å; Y357-L463 HydrophobicContact CD2-CD2 4.3Å
358	N	94.4	Very high	92.7	Very high	84 Å²	84	34.4 Å²	34.4	45%	0.449	17%	0.166	S	C	.	.	H	α-helix	trans	-61.8	-40.5	178.6	-69.2	-21.8	0	0	0	112.1	S354 K355 L356 H361 N362	S354-N358 VanDerWaalsContact O-CG 3.27Å; S354-N358 PolarHBondContact O-N 3.27Å; S354-N358 PolarHBondContact O-ND2 3.08Å; K355-N358 PolarHBondContact O-N 3.4Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 3.11Å; N358-H361 PolarHBondContact O-N 3.36Å; N358-N362 WeakPolarHBondContact O-CB 3.46Å; N358-N362 PolarHBondContact O-N 2.95Å; N358-N362 PolarHBondContact O-ND2 3.44Å
359	R	92.9	Very high	93.4	Very high	41 Å²	41	32.9 Å²	32.9	16%	0.155	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-47	174.9	-70.5	176.6	-175.3	161.9	3.6	111.8	L293 N295 K355 L356 Y357 N362 F363 E484 N486	L293-R359 HydrophobicContact CD1-CB 3.95Å; N295-R359 PolarHBondContact OD1-NH1 3.18Å; K355-R359 WeakPolarHBondContact O-CG 2.94Å; K355-R359 PolarHBondContact O-N 3.03Å; L356-R359 PolarHBondContact O-N 3.36Å; Y357-R359 VanDerWaalsContact C-N 3.33Å; Y357-R359 PolarHBondContact O-N 3.4Å; R359-N362 PolarHBondContact O-N 2.8Å; R359-F363 VanDerWaalsContact O-CB 3.24Å; R359-F363 WeakPolarHBondContact O-CB 3.28Å; R359-F363 PolarHBondContact O-N 3.33Å; R359-E484 PolarHBondContact NH2-O 3.36Å; R359-N486 PolarHBondContact NH2-O 3.19Å
360	L	95.5	Very high	93.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-44.6	176.9	-77.6	164.7	0	0	0	111.8	L293 F294 L304 L356 Y357 N362 F363 L364 L412 L461 L463	L293-L360 HydrophobicContact CD2-CD2 3.65Å; L293-L360 HydrophobicContact CD2-CG 4.41Å; F294-L360 HydrophobicContact CE1-CD1 4.42Å; F294-L360 HydrophobicContact CZ-CD2 4.24Å; L304-L360 HydrophobicContact CD2-CD2 4.1Å; L356-L360 HydrophobicContact CD1-CD1 4.27Å; L356-L360 HydrophobicContact CD1-CG 4.45Å; L356-L360 HydrophobicContact CG-CD1 4.06Å; L356-L360 PolarHBondContact O-N 2.82Å; Y357-L360 PolarHBondContact O-N 3.27Å; L360-N362 PolarHBondContact O-N 3.25Å; L360-F363 PolarHBondContact O-N 2.9Å; L360-L364 HydrophobicContact CB-CD1 4.33Å; L360-L364 HydrophobicContact CD2-CD1 4.4Å; L360-L364 HydrophobicContact CD2-CG 4.37Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 3.14Å; L360-L412 HydrophobicContact CB-CD2 4.37Å; L360-L461 HydrophobicContact CD1-CD2 4.3Å; L360-L461 HydrophobicContact CD2-CD2 4.46Å; L360-L463 HydrophobicContact CD1-CD1 3.83Å; L360-L463 HydrophobicContact CD1-CD2 3.89Å; L360-L463 HydrophobicContact CD1-CG 4.45Å
361	H	95.5	Very high	94.3	Very high	71 Å²	71	29.5 Å²	29.5	33%	0.329	14%	0.144	S	C	.	.	H	α-helix	trans	-59.1	-35.4	177.6	-179.7	-94.2	0	0	0	112.3	Y357 N358 P365 L412	Y357-H361 HydrophobicContact CD1-CB 4.48Å; Y357-H361 HydrophobicContact CE1-CB 4.18Å; Y357-H361 VanDerWaalsContact O-CB 3.23Å; Y357-H361 WeakPolarHBondContact O-CB 3.37Å; Y357-H361 PolarHBondContact O-N 3.07Å; N358-H361 PolarHBondContact O-N 3.36Å; H361-P365 WeakPolarHBondContact O-CD 3.44Å; H361-P365 WeakPolarHBondContact O-CG 3.23Å; H361-L412 HydrophobicContact CB-CD2 3.94Å
362	N	93.8	Very high	94.7	Very high	82 Å²	82	24.2 Å²	24.2	44%	0.439	12%	0.124	S	C	.	.	H	α-helix	trans	-81.2	-33	176.4	-65.9	-13.1	0	0	0	112.7	N358 R359 L360 Q366	N358-N362 WeakPolarHBondContact O-CB 3.46Å; N358-N362 PolarHBondContact O-N 2.95Å; N358-N362 PolarHBondContact O-ND2 3.44Å; R359-N362 PolarHBondContact O-N 2.8Å; L360-N362 PolarHBondContact O-N 3.25Å; N362-Q366 PolarHBondContact O-NE2 2.7Å
363	F	94.5	Very high	95.1	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-85.2	-43.8	-174.7	178.3	-88.4	0	0	0	114.7	I289 L290 L293 R359 L360 P365 Q366 L367 H491 I494	I289-F363 HydrophobicContact CG2-CE2 3.52Å; I289-F363 HydrophobicContact CG2-CZ 3.5Å; L290-F363 HydrophobicContact CD2-CE1 3.81Å; L290-F363 HydrophobicContact CD2-CZ 4.31Å; L293-F363 HydrophobicContact CD1-CB 4.31Å; L293-F363 HydrophobicContact CD1-CG 4.41Å; L293-F363 HydrophobicContact CD2-CD1 4Å; L293-F363 HydrophobicContact CD2-CE1 4.48Å; L293-F363 HydrophobicContact CD2-CG 4.36Å; R359-F363 VanDerWaalsContact O-CB 3.24Å; R359-F363 WeakPolarHBondContact O-CB 3.28Å; R359-F363 PolarHBondContact O-N 3.33Å; L360-F363 PolarHBondContact O-N 2.9Å; F363-P365 VanDerWaalsContact C-CD 3.5Å; F363-Q366 WeakPolarHBondContact O-CB 3.23Å; F363-Q366 PolarHBondContact O-N 2.75Å; F363-L367 HydrophobicContact CE1-CB 4.46Å; F363-L367 HydrophobicContact CE1-CD2 3.77Å; F363-L367 HydrophobicContact CZ-CD2 4.2Å; F363-H491 VanDerWaalsContact CA-CE1 3.49Å; F363-H491 WeakPolarHBondContact CA-CE1 3.26Å; F363-H491 AromaticContact CD2-CE1 3.31Å; F363-H491 WeakPolarHBondContact CD2-CE1 3.48Å; F363-H491 AromaticContact CD2-ND1 3.78Å; F363-H491 AromaticContact CG-CE1 3.86Å; F363-I494 HydrophobicContact CE2-CD1 4.12Å
364	L	96.6	Very high	95.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.3	-45.5	-176.9	-68.5	173.5	0	0	0	113	L308 L360 Q366 L367 V368 L371 E410 L412 L461	L308-L364 HydrophobicContact CD1-CD2 4.5Å; L308-L364 HydrophobicContact CD2-CD2 4.1Å; L360-L364 HydrophobicContact CB-CD1 4.33Å; L360-L364 HydrophobicContact CD2-CD1 4.4Å; L360-L364 HydrophobicContact CD2-CG 4.37Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 VanDerWaalsContact O-CG 3.28Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 3.14Å; L364-Q366 PolarHBondContact O-N 3.04Å; L364-L367 PolarHBondContact O-N 3.25Å; L364-V368 WeakPolarHBondContact O-CG2 3.27Å; L364-V368 PolarHBondContact O-N 3.34Å; L364-L371 HydrophobicContact CB-CD1 4.11Å; L364-L371 HydrophobicContact CB-CD2 4.31Å; L364-L371 HydrophobicContact CD1-CD1 4.11Å; L364-E410 HydrophobicContact CD1-CG 4.3Å; L364-L412 HydrophobicContact CD1-CD1 4.38Å; L364-L412 HydrophobicContact CD1-CD2 4.44Å; L364-L461 HydrophobicContact CD1-CD2 4.3Å
365	P	95.9	Very high	95.3	Very high	27 Å²	27	30.6 Å²	30.6	18%	0.175	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-18.5	177.9	-20.1	30.2	0	0	0	114.4	S128 W130 H361 F363 L367 L371	S128-P365 WeakPolarHBondContact CB-O 3.34Å; S128-P365 PolarHBondContact OG-O 2.78Å; W130-P365 PolarHBondContact NE1-O 2.84Å; H361-P365 WeakPolarHBondContact O-CD 3.44Å; H361-P365 WeakPolarHBondContact O-CG 3.23Å; F363-P365 VanDerWaalsContact C-CD 3.5Å; P365-L367 VanDerWaalsContact C-N 3.31Å; P365-L371 HydrophobicContact CG-CD2 3.53Å
366	Q	94.6	Very high	95.5	Very high	53 Å²	53	29 Å²	29	25%	0.248	15%	0.146	C	C	.	.	H	α-helix	trans	-81.7	-17.7	177.2	-61.6	177	40	0	0	112.3	N362 F363 L364 H491 R503	N362-Q366 PolarHBondContact O-NE2 2.7Å; F363-Q366 WeakPolarHBondContact O-CB 3.23Å; F363-Q366 PolarHBondContact O-N 2.75Å; L364-Q366 PolarHBondContact O-N 3.04Å; Q366-H491 VanDerWaalsContact CD-ND1 3.33Å; Q366-H491 PolarHBondContact NE2-CD2 3.03Å; Q366-H491 VanDerWaalsContact NE2-CD2 3.32Å; Q366-H491 PolarHBondContact NE2-CE1 3.17Å; Q366-H491 PolarHBondContact NE2-ND1 2.84Å; Q366-H491 VanDerWaalsContact NE2-ND1 3.18Å; Q366-H491 PolarHBondContact NE2-NE2 2.9Å; Q366-H491 PolarHBondContact OE1-CE1 3.34Å; Q366-H491 PolarHBondContact OE1-ND1 3.31Å; Q366-R503 PolarHBondContact O-NE 2.87Å; Q366-R503 PolarHBondContact O-NH2 3.36Å; Q366-R503 VanDerWaalsContact O-NH2 3.16Å
367	L	95.2	Very high	95.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-112.7	-46.6	-171.5	179.7	60.8	0	0	0	112.2	L286 L308 F363 L364 P365 M502 R503 L506	L286-L367 HydrophobicContact CD1-CD2 3.99Å; L308-L367 HydrophobicContact CD1-CD2 3.96Å; F363-L367 HydrophobicContact CE1-CB 4.46Å; F363-L367 HydrophobicContact CE1-CD2 3.77Å; F363-L367 HydrophobicContact CZ-CD2 4.2Å; L364-L367 PolarHBondContact O-N 3.25Å; P365-L367 VanDerWaalsContact C-N 3.31Å; L367-M502 HydrophobicContact CD1-CB 3.55Å; L367-R503 WeakPolarHBondContact O-CG 3.39Å; L367-L506 HydrophobicContact CD1-CD1 3.6Å; L367-L506 HydrophobicContact CD1-CG 4.4Å; L367-L506 HydrophobicContact CD2-CD1 3.87Å; L367-L506 HydrophobicContact CG-CD1 3.44Å; L367-L506 VanDerWaalsContact CG-CD1 3.44Å
368	V	97.1	Very high	95.7	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.024	16%	0.155	C	C	.	.	S	Bend	trans	-86.6	157.7	-177.3	-54.2	0	0	0	0	112	S128 W130 L308 L364 H370 L371 E410	S128-V368 VanDerWaalsContact CB-O 3.24Å; S128-V368 WeakPolarHBondContact CB-O 3.37Å; S128-V368 PolarHBondContact OG-O 3.27Å; W130-V368 PolarHBondContact NE1-O 2.8Å; W130-V368 VanDerWaalsContact NE1-O 3.09Å; L308-V368 HydrophobicContact CD2-CG1 3.8Å; L364-V368 WeakPolarHBondContact O-CG2 3.27Å; L364-V368 PolarHBondContact O-N 3.34Å; V368-H370 VanDerWaalsContact CG2-O 3.29Å; V368-H370 WeakPolarHBondContact CG2-O 3.31Å; V368-L371 HydrophobicContact CG2-CB 4.12Å; V368-E410 HydrophobicContact CG1-CB 4.37Å; V368-E410 HydrophobicContact CG2-CB 4.21Å
369	T	96.8	Very high	95.7	Very high	16 Å²	16	33.6 Å²	33.6	10%	0.098	17%	0.165	C	C	.	.	S	Bend	trans	-78.1	-37.1	178.8	-54.4	0	0	0	0	111.8	S128 V131 N259 N260	S128-T369 PolarHBondContact N-O 3.04Å; S128-T369 PolarHBondContact OG-O 3.36Å; V131-T369 HydrophobicContact CG2-CG2 3.84Å; N259-T369 WeakPolarHBondContact OD1-CG2 3.19Å; N260-T369 HydrophobicContact CB-CG2 4.35Å
370	H	97.1	Very high	95.8	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.023	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-133.8	135.3	174.5	-32.8	95.1	0	0	0	112	V124 G126 N259 V368 T409 E410	V124-H370 WeakPolarHBondContact CG1-NE2 3.29Å; G126-H370 CarbonylContact O-C 3.58Å; G126-H370 WeakPolarHBondContact O-CA 3.31Å; N259-H370 PolarHBondContact ND2-NE2 3Å; N259-H370 PolarHBondContact OD1-CE1 2.85Å; N259-H370 PolarHBondContact OD1-NE2 3.44Å; V368-H370 VanDerWaalsContact CG2-O 3.29Å; V368-H370 WeakPolarHBondContact CG2-O 3.31Å; H370-T409 HydrophobicContact CB-CG2 4Å; H370-E410 PolarHBondContact O-N 2.81Å
371	L	97.6	Very high	95.9	Very high	18 Å²	18	33.3 Å²	33.3	9%	0.094	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.9	170.5	-175.4	74.9	0	0	0	109.7	G126 L364 P365 V368 T373 E410 L412	G126-L371 WeakPolarHBondContact CA-O 3.42Å; G126-L371 PolarHBondContact O-N 3.37Å; L364-L371 HydrophobicContact CB-CD1 4.11Å; L364-L371 HydrophobicContact CB-CD2 4.31Å; L364-L371 HydrophobicContact CD1-CD1 4.11Å; P365-L371 HydrophobicContact CG-CD2 3.53Å; V368-L371 HydrophobicContact CG2-CB 4.12Å; L371-T373 HydrophobicContact CD2-CG2 4.44Å; L371-E410 CarbonylContact C-O 3.33Å; L371-E410 WeakPolarHBondContact CA-O 3.36Å; L371-E410 HydrophobicContact CD1-CB 3.98Å; L371-E410 HydrophobicContact CD1-CG 3.79Å; L371-L412 HydrophobicContact CD1-CB 4.12Å
372	A	97	Very high	95.9	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.025	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	152.6	164	0	0	0	0	0	109.7	L185 L405 T409 E410 I411 L412	L185-A372 HydrophobicContact CD2-CB 4.38Å; A372-L405 HydrophobicContact CB-CD1 3.63Å; A372-L405 HydrophobicContact CB-CD2 3.97Å; A372-L405 HydrophobicContact CB-CG 4.47Å; A372-T409 HydrophobicContact CB-CG2 4.17Å; A372-E410 PolarHBondContact N-O 3.47Å; A372-I411 HydrophobicContact CB-CG1 4.47Å; A372-I411 WeakPolarHBondContact O-CA 3.39Å; A372-L412 PolarHBondContact O-N 3.4Å
373	T	96.7	Very high	96	Very high	53 Å²	53	31.9 Å²	31.9	33%	0.325	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.9	177.3	65.8	0	0	0	0	110.7	L371 L412	L371-T373 HydrophobicContact CD2-CG2 4.44Å; T373-L412 VanDerWaalsContact CA-O 3.31Å; T373-L412 WeakPolarHBondContact CA-O 3.33Å
374	V	95.6	Very high	95.9	Very high	14 Å²	14	32.6 Å²	32.6	9%	0.085	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	113.6	176.1	179.3	0	0	0	0	108.5	L376 L403 I411 L412 V413 N414 L434	V374-L376 PolarHBondContact O-N 3.22Å; V374-L403 HydrophobicContact CG2-CD2 3.98Å; V374-I411 HydrophobicContact CG2-CG2 3.78Å; V374-L412 PolarHBondContact N-O 2.86Å; V374-V413 HydrophobicContact CB-CG1 4.46Å; V374-V413 HydrophobicContact CB-CG2 4.24Å; V374-V413 CarbonylContact O-C 3.59Å; V374-V413 VanDerWaalsContact O-CA 3.3Å; V374-V413 WeakPolarHBondContact O-CA 3.07Å; V374-N414 PolarHBondContact O-N 3.1Å; V374-L434 HydrophobicContact CG1-CD2 4.31Å
375	K	95.2	Very high	95.7	Very high	110 Å²	110	35 Å²	35	48%	0.478	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.3	165.9	-177	166.4	-175.9	162.6	0	108.3	T377 S380 E417	K375-T377 HydrophobicContact CG-CG2 4.08Å; K375-S380 WeakPolarHBondContact O-CB 3.33Å; K375-S380 PolarHBondContact O-OG 2.72Å; K375-E417 WeakPolarHBondContact CE-OE2 3.47Å; K375-E417 IonicContact NZ-OE2 2.74Å; K375-E417 PolarHBondContact NZ-OE2 2.92Å
376	L	95.5	Very high	95.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.189	C	C	.	.			trans	-110.8	93.1	-176.7	-174.1	57.2	0	0	0	110	V374 L381 V413 N414 E415 M418 L434	V374-L376 PolarHBondContact O-N 3.22Å; L376-L381 HydrophobicContact CD1-CD1 3.84Å; L376-L381 HydrophobicContact CD1-CD2 3.94Å; L376-L381 HydrophobicContact CD1-CG 4.04Å; L376-V413 HydrophobicContact CB-CG1 3.72Å; L376-V413 HydrophobicContact CD2-CG1 3.88Å; L376-V413 HydrophobicContact CG-CG1 4.41Å; L376-N414 PolarHBondContact N-O 3.33Å; L376-E415 HydrophobicContact CB-CB 4.31Å; L376-E415 HydrophobicContact CD2-CB 4.12Å; L376-E415 HydrophobicContact CD2-CG 3.84Å; L376-E415 HydrophobicContact CG-CG 4.22Å; L376-M418 HydrophobicContact CB-CE 4.49Å; L376-M418 HydrophobicContact CD1-CE 3.99Å; L376-M418 HydrophobicContact CG-CE 3.62Å; L376-M418 WeakPolarHBondContact O-CE 3.44Å; L376-L434 HydrophobicContact CD1-CD2 3.87Å; L376-L434 HydrophobicContact CD2-CD2 4.12Å
377	T	95.6	Very high	95.7	Very high	16 Å²	16	33.5 Å²	33.5	10%	0.098	18%	0.181	C	C	.	.	S	Bend	trans	-138.4	158.6	174	70.9	0	0	0	0	110.5	K375 K379 S380 L381 E417	K375-T377 HydrophobicContact CG-CG2 4.08Å; T377-K379 PolarHBondContact O-N 2.89Å; T377-S380 PolarHBondContact N-OG 3.19Å; T377-S380 PolarHBondContact O-N 3.1Å; T377-S380 PolarHBondContact O-OG 2.7Å; T377-S380 WeakPolarHBondContact OG1-CB 3.28Å; T377-S380 PolarHBondContact OG1-N 2.97Å; T377-S380 VanDerWaalsContact OG1-N 3.07Å; T377-S380 PolarHBondContact OG1-OG 2.8Å; T377-L381 WeakPolarHBondContact O-CG 3.29Å; T377-L381 PolarHBondContact O-N 2.83Å; T377-E417 HydrophobicContact CG2-CB 3.92Å; T377-E417 WeakPolarHBondContact CG2-O 3.38Å
378	I	95.9	Very high	95.7	Very high	36 Å²	36	33.8 Å²	33.8	19%	0.185	18%	0.183	C	C	.	.	H	α-helix	trans	-53	-42.7	175.3	-59.9	-61.6	0	0	0	111.8	L381 N382 M418 D419 L423	I378-L381 PolarHBondContact O-N 2.85Å; I378-N382 WeakPolarHBondContact CG2-ND2 3.39Å; I378-N382 WeakPolarHBondContact O-CB 3.38Å; I378-N382 PolarHBondContact O-N 2.76Å; I378-N382 PolarHBondContact O-ND2 2.93Å; I378-M418 HydrophobicContact CD1-SD 3.95Å; I378-M418 HydrophobicContact CG1-SD 3.95Å; I378-D419 WeakPolarHBondContact CG1-O 3.45Å; I378-L423 HydrophobicContact CD1-CD2 3.77Å; I378-L423 HydrophobicContact CD1-CG 4.23Å
379	K	95.5	Very high	95.6	Very high	154 Å²	154	33.6 Å²	33.6	67%	0.67	18%	0.182	S	C	*	.	H	α-helix	trans	-62.8	-45.7	176.7	-173.2	-179.7	179.8	179	0	111.9	T377 L381 D383	T377-K379 PolarHBondContact O-N 2.89Å; K379-L381 VanDerWaalsContact C-N 3.29Å; K379-L381 PolarHBondContact O-N 2.76Å; K379-D383 HydrophobicContact CG-CB 4.48Å; K379-D383 WeakPolarHBondContact CG-OD2 3.31Å; K379-D383 WeakPolarHBondContact O-CA 3.44Å; K379-D383 WeakPolarHBondContact O-CB 3.47Å; K379-D383 PolarHBondContact O-N 3.47Å
380	S	95.2	Very high	95.5	Very high	30 Å²	30	35.7 Å²	35.7	21%	0.21	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-34.8	178.8	69	0	0	0	0	112.6	K375 T377 G384	K375-S380 WeakPolarHBondContact O-CB 3.33Å; K375-S380 PolarHBondContact O-OG 2.72Å; T377-S380 PolarHBondContact N-OG 3.19Å; T377-S380 PolarHBondContact O-N 3.1Å; T377-S380 PolarHBondContact O-OG 2.7Å; T377-S380 WeakPolarHBondContact OG1-CB 3.28Å; T377-S380 PolarHBondContact OG1-N 2.97Å; T377-S380 VanDerWaalsContact OG1-N 3.07Å; T377-S380 PolarHBondContact OG1-OG 2.8Å; S380-G384 WeakPolarHBondContact O-CA 3.49Å; S380-G384 PolarHBondContact O-N 3.27Å
381	L	96.4	Very high	95.1	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-73.4	-46.4	179.7	-70.5	170.2	0	0	0	111.5	L376 T377 I378 K379 L387 M418 L423 G427 N430 F431	L376-L381 HydrophobicContact CD1-CD1 3.84Å; L376-L381 HydrophobicContact CD1-CD2 3.94Å; L376-L381 HydrophobicContact CD1-CG 4.04Å; T377-L381 WeakPolarHBondContact O-CG 3.29Å; T377-L381 PolarHBondContact O-N 2.83Å; I378-L381 PolarHBondContact O-N 2.85Å; K379-L381 VanDerWaalsContact C-N 3.29Å; K379-L381 PolarHBondContact O-N 2.76Å; L381-L387 HydrophobicContact CD2-CD1 4.34Å; L381-M418 HydrophobicContact CD1-CE 4.37Å; L381-L423 HydrophobicContact CB-CD2 3.95Å; L381-L423 HydrophobicContact CD1-CD2 3.61Å; L381-L423 HydrophobicContact CG-CD2 4.45Å; L381-G427 WeakPolarHBondContact O-CA 3.29Å; L381-N430 HydrophobicContact CD2-CB 3.9Å; L381-N430 PolarHBondContact O-ND2 2.96Å; L381-F431 HydrophobicContact CD1-CB 4.28Å; L381-F431 HydrophobicContact CD1-CD2 4.24Å; L381-F431 HydrophobicContact CD2-CB 4.27Å
382	N	96.5	Very high	94.6	Very high	14 Å²	14	38 Å²	38	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-74.8	-50.4	-178.6	-69.5	-24.2	0	0	0	112.2	I378 Q422 Q424 K426 G427	I378-N382 WeakPolarHBondContact CG2-ND2 3.39Å; I378-N382 WeakPolarHBondContact O-CB 3.38Å; I378-N382 PolarHBondContact O-N 2.76Å; I378-N382 PolarHBondContact O-ND2 2.93Å; N382-Q422 PolarHBondContact ND2-O 2.88Å; N382-Q422 VanDerWaalsContact ND2-O 3.13Å; N382-Q424 PolarHBondContact OD1-N 3.13Å; N382-K426 WeakPolarHBondContact O-CD 3.37Å; N382-K426 PolarHBondContact O-NZ 2.86Å; N382-G427 WeakPolarHBondContact OD1-CA 3.28Å
383	D	95.4	Very high	93.9	Very high	109 Å²	109	42.6 Å²	42.6	58%	0.583	22%	0.223	S	C	*	.	H	α-helix	trans	-101	-16.3	-168.8	-54.8	-37.9	0	0	0	113.2	K379	K379-D383 HydrophobicContact CG-CB 4.48Å; K379-D383 WeakPolarHBondContact CG-OD2 3.31Å; K379-D383 WeakPolarHBondContact O-CA 3.44Å; K379-D383 WeakPolarHBondContact O-CB 3.47Å; K379-D383 PolarHBondContact O-N 3.47Å
384	G	92.9	Very high	93.3	Very high	17 Å²	17	47.4 Å²	47.4	18%	0.175	25%	0.247	C	C	.	.	S	Bend	trans	-72.6	179	-179.2	0	0	0	0	0	114	S380 K426	S380-G384 WeakPolarHBondContact O-CA 3.49Å; S380-G384 PolarHBondContact O-N 3.27Å; G384-K426 WeakPolarHBondContact O-CE 3.27Å; G384-K426 PolarHBondContact O-NZ 3.3Å
385	P	92.4	Very high	92.5	Very high	51 Å²	51	51.5 Å²	51.5	33%	0.331	26%	0.263	S	S	.	.			trans	-60.9	161.8	175.6	30	-39.2	0	0	0	112.2	I186 L387 R402 N430	I186-P385 HydrophobicContact CD1-CB 4.33Å; I186-P385 HydrophobicContact CD1-CG 3.93Å; P385-L387 PolarHBondContact O-N 3.17Å; P385-R402 HydrophobicContact CB-CG 3.78Å; P385-R402 HydrophobicContact CG-CG 3.55Å; P385-N430 PolarHBondContact O-ND2 3.42Å
386	C	94	Very high	91.8	Very high	32 Å²	32	47 Å²	47	22%	0.216	25%	0.248	C	C	.	.			trans	-67.8	132.8	171.7	-166.7	0	0	0	0	110.3	F388 I390 R402	C386-F388 VanDerWaalsContact SG-CE1 3.55Å; C386-F388 PolarHBondContact SG-O 3.47Å; C386-I390 HydrophobicContact CB-CD1 4.49Å; C386-R402 WeakPolarHBondContact O-CG 3.38Å; C386-R402 PolarHBondContact O-N 2.87Å
387	L	95.9	Very high	91.3	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.084	25%	0.253	C	S	.	.	S	Bend	trans	-84.2	-18.1	-179.7	-64.5	-171.5	0	0	0	112.8	L381 P385 G401 R402 L403 N430 L434	L381-L387 HydrophobicContact CD2-CD1 4.34Å; P385-L387 PolarHBondContact O-N 3.17Å; L387-G401 CarbonylContact O-C 3.52Å; L387-R402 HydrophobicContact CD2-CB 3.9Å; L387-R402 HydrophobicContact CD2-CG 4.14Å; L387-R402 PolarHBondContact O-N 3.08Å; L387-L403 HydrophobicContact CB-CD1 3.9Å; L387-L403 HydrophobicContact CB-CG 4.09Å; L387-L403 HydrophobicContact CD1-CD1 4.47Å; L387-L403 WeakPolarHBondContact O-CB 3.28Å; L387-L403 WeakPolarHBondContact O-CG 3.24Å; L387-L403 PolarHBondContact O-N 2.95Å; L387-N430 HydrophobicContact CB-CB 4.47Å; L387-N430 HydrophobicContact CD1-CB 4.03Å; L387-N430 HydrophobicContact CG-CB 4.08Å; L387-N430 PolarHBondContact N-OD1 3.24Å; L387-L434 HydrophobicContact CD1-CB 4.32Å
388	F	95.3	Very high	90.9	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.031	25%	0.25	C	C	.	.	S	Bend	trans	-122	156.9	-178.5	61	-86	0	0	0	111.9	C386 I390 G401 L429 A433 L443 L444 D446	C386-F388 VanDerWaalsContact SG-CE1 3.55Å; C386-F388 PolarHBondContact SG-O 3.47Å; F388-I390 HydrophobicContact CD2-CG1 4.08Å; F388-I390 HydrophobicContact CE2-CD1 3.98Å; F388-I390 HydrophobicContact CE2-CG1 3.77Å; F388-I390 HydrophobicContact CZ-CD1 4.32Å; F388-G401 VanDerWaalsContact O-CA 3.31Å; F388-G401 WeakPolarHBondContact O-CA 3.29Å; F388-L429 HydrophobicContact CE1-CB 3.63Å; F388-L429 HydrophobicContact CZ-CB 3.82Å; F388-L429 HydrophobicContact CZ-CD1 4.28Å; F388-A433 HydrophobicContact CB-CB 3.84Å; F388-A433 HydrophobicContact CD1-CB 3.69Å; F388-A433 HydrophobicContact CG-CB 4.12Å; F388-L443 HydrophobicContact CB-CD1 4.11Å; F388-L444 WeakPolarHBondContact CB-O 3.45Å; F388-L444 HydrophobicContact CD2-CD2 3.6Å; F388-L444 HydrophobicContact CE2-CD2 3.89Å; F388-L444 HydrophobicContact CG-CD2 4.15Å; F388-D446 HydrophobicContact CD2-CB 4.37Å; F388-D446 HydrophobicContact CE2-CB 4.02Å
389	P	95.3	Very high	90.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.			trans	-77.1	143.8	-175.6	-22.4	40.1	0	0	0	112.7	L398 N399 Q404 L443 L444 Y445 D446	P389-L398 HydrophobicContact CB-CD1 3.82Å; P389-L398 HydrophobicContact CB-CD2 3.96Å; P389-L398 HydrophobicContact CB-CG 3.93Å; P389-N399 VanDerWaalsContact CA-O 3.29Å; P389-N399 WeakPolarHBondContact CA-O 3.42Å; P389-Q404 HydrophobicContact CG-CB 3.94Å; P389-Q404 HydrophobicContact CG-CG 4.29Å; P389-L443 HydrophobicContact CG-CD2 4.29Å; P389-L444 WeakPolarHBondContact CD-O 3.45Å; P389-Y445 HydrophobicContact CB-CD1 3.53Å; P389-Y445 HydrophobicContact CB-CE1 3.61Å; P389-Y445 HydrophobicContact CB-CG 4.28Å; P389-Y445 HydrophobicContact CG-CD1 3.69Å; P389-Y445 HydrophobicContact CG-CD2 4.49Å; P389-Y445 HydrophobicContact CG-CE1 3.37Å; P389-Y445 HydrophobicContact CG-CE2 4.19Å; P389-Y445 HydrophobicContact CG-CG 4.27Å; P389-D446 PolarHBondContact O-N 2.95Å
390	I	93.7	Very high	90.5	Very high	59 Å²	59	41.3 Å²	41.3	30%	0.303	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.3	179.6	-54.5	178.2	0	0	0	109.1	C386 F388 D392 N399 D446	C386-I390 HydrophobicContact CB-CD1 4.49Å; F388-I390 HydrophobicContact CD2-CG1 4.08Å; F388-I390 HydrophobicContact CE2-CD1 3.98Å; F388-I390 HydrophobicContact CE2-CG1 3.77Å; F388-I390 HydrophobicContact CZ-CD1 4.32Å; I390-D392 PolarHBondContact O-N 3.21Å; I390-N399 PolarHBondContact N-O 3.45Å; I390-N399 WeakPolarHBondContact O-CB 3.48Å; I390-N399 PolarHBondContact O-N 3.37Å; I390-D446 CarbonylContact C-O 3.59Å; I390-D446 WeakPolarHBondContact CA-O 3.43Å; I390-D446 HydrophobicContact CG1-CB 4.21Å; I390-D446 HydrophobicContact CG2-CB 4.42Å
391	R	90.1	Very high	90.4	Very high	43 Å²	43	39.9 Å²	39.9	16%	0.162	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	122	175.5	-170.1	69.9	177.8	-157.7	2.2	109.8	D69 M393 G396 L398 D446 F447	D69-R391 VanDerWaalsContact CG-NH1 3.34Å; D69-R391 IonicContact OD1-CZ 2.81Å; D69-R391 IonicContact OD1-NH1 2.82Å; D69-R391 PolarHBondContact OD1-NH1 2.93Å; D69-R391 IonicContact OD2-CZ 3.5Å; D69-R391 IonicContact OD2-NH1 3.34Å; D69-R391 PolarHBondContact OD2-NH1 2.69Å; R391-M393 HydrophobicContact CG-SD 3.91Å; R391-M393 PolarHBondContact O-N 3.22Å; R391-G396 PolarHBondContact NH2-O 3.17Å; R391-L398 HydrophobicContact CB-CD1 4.27Å; R391-D446 PolarHBondContact N-O 2.75Å; R391-F447 HydrophobicContact CB-CD1 3.84Å; R391-F447 HydrophobicContact CG-CD1 4.22Å
392	D	87.3	Confident	90.3	Very high	30 Å²	30	41.7 Å²	41.7	16%	0.16	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	104.2	168.5	-170.7	-26.1	0	0	0	108.6	I390 N394 K395 G396 H397	I390-D392 PolarHBondContact O-N 3.21Å; D392-N394 VanDerWaalsContact C-N 3.27Å; D392-N394 PolarHBondContact O-N 3.28Å; D392-N394 WeakPolarHBondContact OD1-CB 3.43Å; D392-N394 PolarHBondContact OD1-N 3.5Å; D392-K395 HydrophobicContact CB-CB 4.28Å; D392-K395 PolarHBondContact O-N 3.29Å; D392-K395 PolarHBondContact OD1-N 3.07Å; D392-K395 VanDerWaalsContact OD1-N 3.15Å; D392-K395 VanDerWaalsContact OD2-CD 3.31Å; D392-K395 WeakPolarHBondContact OD2-CD 3.49Å; D392-K395 WeakPolarHBondContact OD2-CE 3.31Å; D392-K395 WeakPolarHBondContact OD2-CG 3.37Å; D392-K395 IonicContact OD2-NZ 3.2Å; D392-G396 WeakPolarHBondContact O-CA 3.48Å; D392-G396 PolarHBondContact O-N 3.44Å; D392-H397 PolarHBondContact N-O 3.18Å; D392-H397 PolarHBondContact O-N 3.2Å
393	M	81.4	Confident	90.4	Very high	99 Å²	99	41.1 Å²	41.1	49%	0.488	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.4	179.9	-66.4	-61.2	-71.5	0	0	112.8	R391 Q448 F449	R391-M393 HydrophobicContact CG-SD 3.91Å; R391-M393 PolarHBondContact O-N 3.22Å; M393-Q448 HydrophobicContact CG-CB 4.47Å; M393-F449 HydrophobicContact CE-CE2 4.29Å; M393-F449 HydrophobicContact CG-CE2 4.3Å
394	N	83.7	Confident	90.4	Very high	153 Å²	153	36 Å²	36	82%	0.818	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-37.5	179.3	-59.8	-43.1	0	0	0	111.2	D392	D392-N394 VanDerWaalsContact C-N 3.27Å; D392-N394 PolarHBondContact O-N 3.28Å; D392-N394 WeakPolarHBondContact OD1-CB 3.43Å; D392-N394 PolarHBondContact OD1-N 3.5Å
395	K	79.5	Confident	90.6	Very high	101 Å²	101	35.3 Å²	35.3	44%	0.439	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.8	-179.6	-57.1	-176.2	-169.7	170.3	0	113.8	D392 H397	D392-K395 HydrophobicContact CB-CB 4.28Å; D392-K395 PolarHBondContact O-N 3.29Å; D392-K395 PolarHBondContact OD1-N 3.07Å; D392-K395 VanDerWaalsContact OD1-N 3.15Å; D392-K395 VanDerWaalsContact OD2-CD 3.31Å; D392-K395 WeakPolarHBondContact OD2-CD 3.49Å; D392-K395 WeakPolarHBondContact OD2-CE 3.31Å; D392-K395 WeakPolarHBondContact OD2-CG 3.37Å; D392-K395 IonicContact OD2-NZ 3.2Å; K395-H397 WeakPolarHBondContact CB-CE1 3.44Å; K395-H397 VanDerWaalsContact CB-ND1 3.28Å; K395-H397 WeakPolarHBondContact CB-ND1 3.43Å; K395-H397 WeakPolarHBondContact CD-CE1 3.36Å; K395-H397 PolarHBondContact O-N 3.12Å; K395-H397 PolarHBondContact O-ND1 3.05Å
396	G	80.9	Confident	90.7	Very high	15 Å²	15	32.9 Å²	32.9	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	14.4	176.1	0	0	0	0	0	115.7	R391 D392	R391-G396 PolarHBondContact NH2-O 3.17Å; D392-G396 WeakPolarHBondContact O-CA 3.48Å; D392-G396 PolarHBondContact O-N 3.44Å
397	H	83.7	Confident	90.7	Very high	26 Å²	26	36 Å²	36	12%	0.12	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161	-178.7	66.2	-99.2	0	0	0	113	D69 H182 D392 K395	D69-H397 WeakPolarHBondContact OD2-CA 3.38Å; H182-H397 AromaticContact CE1-NE2 3.91Å; H182-H397 AromaticContact NE2-NE2 3.88Å; D392-H397 PolarHBondContact N-O 3.18Å; D392-H397 PolarHBondContact O-N 3.2Å; K395-H397 WeakPolarHBondContact CB-CE1 3.44Å; K395-H397 VanDerWaalsContact CB-ND1 3.28Å; K395-H397 WeakPolarHBondContact CB-ND1 3.43Å; K395-H397 WeakPolarHBondContact CD-CE1 3.36Å; K395-H397 PolarHBondContact O-N 3.12Å; K395-H397 PolarHBondContact O-ND1 3.05Å
398	L	88.7	Confident	90.6	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.3	174.4	-171.7	69	0	0	0	110.6	D69 P389 R391 Y445	D69-L398 HydrophobicContact CB-CB 4.24Å; D69-L398 WeakPolarHBondContact OD2-CB 3.34Å; D69-L398 PolarHBondContact OD2-N 3.29Å; P389-L398 HydrophobicContact CB-CD1 3.82Å; P389-L398 HydrophobicContact CB-CD2 3.96Å; P389-L398 HydrophobicContact CB-CG 3.93Å; R391-L398 HydrophobicContact CB-CD1 4.27Å; L398-Y445 HydrophobicContact CD1-CD1 4.41Å; L398-Y445 HydrophobicContact CD2-CD1 4.1Å; L398-Y445 HydrophobicContact CD2-CE1 3.88Å
399	N	91.1	Very high	90.7	Very high	46 Å²	46	36 Å²	36	25%	0.246	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.7	166.6	-70.7	-61.9	0	0	0	108.4	H182 P389 I390	H182-N399 PolarHBondContact CE1-OD1 2.57Å; H182-N399 PolarHBondContact ND1-OD1 2.7Å; P389-N399 VanDerWaalsContact CA-O 3.29Å; P389-N399 WeakPolarHBondContact CA-O 3.42Å; I390-N399 PolarHBondContact N-O 3.45Å; I390-N399 WeakPolarHBondContact O-CB 3.48Å; I390-N399 PolarHBondContact O-N 3.37Å
400	P	92	Very high	90.9	Very high	12 Å²	12	36 Å²	36	8%	0.078	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-71.4	137	-177.7	29.8	-35.7	0	0	0	110.8	Q68 H182 P184	Q68-P400 HydrophobicContact CG-CB 4.37Å; H182-P400 HydrophobicContact CB-CG 4.29Å; P184-P400 HydrophobicContact CB-CB 4.34Å; P184-P400 HydrophobicContact CG-CB 4.03Å
401	G	92.9	Very high	91.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-79.3	150.4	163.6	0	0	0	0	0	110.3	L387 F388 L403 Q404	L387-G401 CarbonylContact O-C 3.52Å; F388-G401 VanDerWaalsContact O-CA 3.31Å; F388-G401 WeakPolarHBondContact O-CA 3.29Å; G401-L403 PolarHBondContact O-N 2.93Å; G401-L403 VanDerWaalsContact O-N 3.11Å; G401-Q404 VanDerWaalsContact O-CB 3.27Å; G401-Q404 WeakPolarHBondContact O-CB 3.49Å; G401-Q404 PolarHBondContact O-N 3.22Å
402	R	94.5	Very high	91.4	Very high	42 Å²	42	31.1 Å²	31.1	16%	0.158	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.5	178.7	-53.4	-75.2	127.5	-166.8	21.4	113.6	F183 P184 I186 E189 P385 C386 L387	F183-R402 PolarHBondContact O-NH1 3.32Å; F183-R402 VanDerWaalsContact O-NH1 3.13Å; P184-R402 WeakPolarHBondContact O-CA 3.15Å; P184-R402 WeakPolarHBondContact O-CD 3.36Å; P184-R402 VanDerWaalsContact O-CZ 3.32Å; P184-R402 PolarHBondContact O-NE 2.86Å; P184-R402 PolarHBondContact O-NH1 3.31Å; I186-R402 VanDerWaalsContact CG1-CZ 3.46Å; I186-R402 VanDerWaalsContact CG1-NH1 3.31Å; I186-R402 VanDerWaalsContact N-NH1 3.12Å; E189-R402 IonicContact OE2-NH1 3.04Å; E189-R402 IonicContact OE2-NH2 2.83Å; E189-R402 PolarHBondContact OE2-NH2 2.88Å; P385-R402 HydrophobicContact CB-CG 3.78Å; P385-R402 HydrophobicContact CG-CG 3.55Å; C386-R402 WeakPolarHBondContact O-CG 3.38Å; C386-R402 PolarHBondContact O-N 2.87Å; L387-R402 HydrophobicContact CD2-CB 3.9Å; L387-R402 HydrophobicContact CD2-CG 4.14Å; L387-R402 PolarHBondContact O-N 3.08Å
403	L	96.8	Very high	91.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.3	176.1	-57.1	174.9	0	0	0	113.6	V374 L387 G401 L405 I411 L434 L437 L443	V374-L403 HydrophobicContact CG2-CD2 3.98Å; L387-L403 HydrophobicContact CB-CD1 3.9Å; L387-L403 HydrophobicContact CB-CG 4.09Å; L387-L403 HydrophobicContact CD1-CD1 4.47Å; L387-L403 WeakPolarHBondContact O-CB 3.28Å; L387-L403 WeakPolarHBondContact O-CG 3.24Å; L387-L403 PolarHBondContact O-N 2.95Å; G401-L403 PolarHBondContact O-N 2.93Å; G401-L403 VanDerWaalsContact O-N 3.11Å; L403-L405 PolarHBondContact O-N 2.82Å; L403-I411 HydrophobicContact CD2-CD1 4.04Å; L403-L434 HydrophobicContact CD1-CB 4.24Å; L403-L434 HydrophobicContact CD1-CD1 4.11Å; L403-L434 HydrophobicContact CD2-CD1 4.37Å; L403-L437 HydrophobicContact CB-CD1 3.86Å; L403-L437 HydrophobicContact CD1-CD1 4.2Å; L403-L437 HydrophobicContact CG-CD1 4.45Å; L403-L443 HydrophobicContact CB-CD1 3.85Å; L403-L443 HydrophobicContact CB-CD2 4.35Å; L403-L443 HydrophobicContact CD1-CD1 4.41Å; L403-L443 WeakPolarHBondContact O-CD2 3.28Å
404	Q	96.2	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.			trans	-72.4	83.3	169.8	-171.2	176.5	10.2	0	0	109.7	M66 Q68 P184 N212 P389 G401 L443	M66-Q404 HydrophobicContact CE-CG 4.37Å; Q68-Q404 PolarHBondContact O-NE2 3.42Å; P184-Q404 HydrophobicContact CB-CB 4.47Å; P184-Q404 WeakPolarHBondContact CB-O 3.42Å; P184-Q404 HydrophobicContact CG-CB 4.47Å; P184-Q404 WeakPolarHBondContact CG-O 3.43Å; N212-Q404 WeakPolarHBondContact OD1-CG 3.3Å; N212-Q404 PolarHBondContact OD1-NE2 2.9Å; P389-Q404 HydrophobicContact CG-CB 3.94Å; P389-Q404 HydrophobicContact CG-CG 4.29Å; G401-Q404 VanDerWaalsContact O-CB 3.27Å; G401-Q404 WeakPolarHBondContact O-CB 3.49Å; G401-Q404 PolarHBondContact O-N 3.22Å; Q404-L443 HydrophobicContact CB-CD2 4.41Å
405	L	96.7	Very high	93.3	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	10%	0.1	C	C	.	.			trans	-121.8	152	-169.4	-64.4	167.3	0	0	0	110.4	P125 L185 A372 L403 T409 I411 V458	P125-L405 HydrophobicContact CB-CD2 4.07Å; L185-L405 HydrophobicContact CD2-CD2 4.32Å; A372-L405 HydrophobicContact CB-CD1 3.63Å; A372-L405 HydrophobicContact CB-CD2 3.97Å; A372-L405 HydrophobicContact CB-CG 4.47Å; L403-L405 PolarHBondContact O-N 2.82Å; L405-T409 HydrophobicContact CB-CG2 4.2Å; L405-T409 HydrophobicContact CD1-CG2 3.98Å; L405-T409 HydrophobicContact CD2-CG2 4.46Å; L405-T409 HydrophobicContact CG-CG2 4.43Å; L405-I411 HydrophobicContact CD1-CD1 3.59Å; L405-I411 HydrophobicContact CD1-CG1 3.89Å; L405-V458 HydrophobicContact CB-CG1 4.44Å
406	P	95.8	Very high	94	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.			trans	-68.9	160.2	177	29.1	-33.9	0	0	0	111.5	M66 V124 I214 T409	M66-P406 HydrophobicContact SD-CB 3.99Å; M66-P406 HydrophobicContact SD-CG 4.35Å; V124-P406 HydrophobicContact CG1-CB 4.27Å; V124-P406 HydrophobicContact CG1-CG 3.77Å; I214-P406 HydrophobicContact CD1-CB 3.52Å; I214-P406 HydrophobicContact CD1-CG 4.29Å; I214-P406 HydrophobicContact CG1-CB 3.72Å; P406-T409 WeakPolarHBondContact CD-OG1 3.02Å; P406-T409 WeakPolarHBondContact CG-OG1 3.39Å; P406-T409 WeakPolarHBondContact O-CB 3.44Å; P406-T409 PolarHBondContact O-N 3.02Å; P406-T409 PolarHBondContact O-OG1 3.18Å
407	Q	93.9	Very high	94.5	Very high	98 Å²	98	17.3 Å²	17.3	46%	0.458	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	141.6	173.1	-59	-176.4	21.9	0	0	111.1	N457	Q407-N457 HydrophobicContact CB-CB 4.19Å; Q407-N457 HydrophobicContact CG-CB 4.25Å
408	G	94.1	Very high	94.9	Very high	23 Å²	23	18 Å²	18	24%	0.237	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-1	-176.7	0	0	0	0	0	114.9	N457 R459	G408-N457 PolarHBondContact N-O 2.97Å; G408-R459 PolarHBondContact O-NH2 3.02Å
409	T	97.3	Very high	94.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.			trans	-66.3	134.2	-179.6	-57.3	0	0	0	0	112.2	H370 A372 L405 P406 I411 R459	H370-T409 HydrophobicContact CB-CG2 4Å; A372-T409 HydrophobicContact CB-CG2 4.17Å; L405-T409 HydrophobicContact CB-CG2 4.2Å; L405-T409 HydrophobicContact CD1-CG2 3.98Å; L405-T409 HydrophobicContact CD2-CG2 4.46Å; L405-T409 HydrophobicContact CG-CG2 4.43Å; P406-T409 WeakPolarHBondContact CD-OG1 3.02Å; P406-T409 WeakPolarHBondContact CG-OG1 3.39Å; P406-T409 WeakPolarHBondContact O-CB 3.44Å; P406-T409 PolarHBondContact O-N 3.02Å; P406-T409 PolarHBondContact O-OG1 3.18Å; T409-I411 HydrophobicContact CG2-CG1 4.37Å; T409-R459 PolarHBondContact O-N 2.66Å
410	E	97.9	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.7	167	-176.7	59.4	-151.1	0	0	109.7	H307 L364 V368 H370 L371 A372 R459 L461	H307-E410 IonicContact CD2-OE1 3.74Å; H307-E410 IonicContact CD2-OE2 3.69Å; H307-E410 IonicContact CE1-OE1 2.82Å; H307-E410 VanDerWaalsContact NE2-CD 3.28Å; H307-E410 IonicContact NE2-OE1 2.81Å; H307-E410 PolarHBondContact NE2-OE1 3.36Å; H307-E410 IonicContact NE2-OE2 2.84Å; H307-E410 PolarHBondContact NE2-OE2 3.42Å; L364-E410 HydrophobicContact CD1-CG 4.3Å; V368-E410 HydrophobicContact CG1-CB 4.37Å; V368-E410 HydrophobicContact CG2-CB 4.21Å; H370-E410 PolarHBondContact O-N 2.81Å; L371-E410 CarbonylContact C-O 3.33Å; L371-E410 WeakPolarHBondContact CA-O 3.36Å; L371-E410 HydrophobicContact CD1-CB 3.98Å; L371-E410 HydrophobicContact CD1-CG 3.79Å; A372-E410 PolarHBondContact N-O 3.47Å; E410-R459 WeakPolarHBondContact OE2-CB 3.33Å; E410-R459 IonicContact OE2-NE 3.6Å; E410-R459 PolarHBondContact OE2-NE 2.84Å; E410-L461 VanDerWaalsContact OE1-CB 3.25Å; E410-L461 WeakPolarHBondContact OE1-CB 3.48Å
411	I	98	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.2	177.5	-53.6	-175.6	0	0	0	108.5	A372 V374 L403 L405 T409 V413 L437 V458 R459 V460 L461	A372-I411 HydrophobicContact CB-CG1 4.47Å; A372-I411 WeakPolarHBondContact O-CA 3.39Å; V374-I411 HydrophobicContact CG2-CG2 3.78Å; L403-I411 HydrophobicContact CD2-CD1 4.04Å; L405-I411 HydrophobicContact CD1-CD1 3.59Å; L405-I411 HydrophobicContact CD1-CG1 3.89Å; T409-I411 HydrophobicContact CG2-CG1 4.37Å; I411-V413 HydrophobicContact CG2-CG2 3.99Å; I411-L437 HydrophobicContact CD1-CD2 3.75Å; I411-V458 HydrophobicContact CD1-CB 4.27Å; I411-V458 HydrophobicContact CD1-CG2 4.18Å; I411-R459 WeakPolarHBondContact CB-O 3.41Å; I411-R459 PolarHBondContact N-O 2.87Å; I411-V460 HydrophobicContact CB-CG2 4.35Å; I411-V460 HydrophobicContact CD1-CG2 4.35Å; I411-L461 PolarHBondContact O-N 3.06Å
412	L	98.1	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	111	175.2	-177.8	65.6	0	0	0	110	Y357 L360 H361 L364 L371 A372 T373 V374 L461 L463	Y357-L412 HydrophobicContact CD2-CD1 4.43Å; Y357-L412 HydrophobicContact CD2-CD2 4.17Å; Y357-L412 HydrophobicContact CD2-CG 4.21Å; Y357-L412 HydrophobicContact CE2-CD1 4.25Å; Y357-L412 HydrophobicContact CE2-CD2 3.67Å; Y357-L412 HydrophobicContact CE2-CG 3.59Å; L360-L412 HydrophobicContact CB-CD2 4.37Å; H361-L412 HydrophobicContact CB-CD2 3.94Å; L364-L412 HydrophobicContact CD1-CD1 4.38Å; L364-L412 HydrophobicContact CD1-CD2 4.44Å; L371-L412 HydrophobicContact CD1-CB 4.12Å; A372-L412 PolarHBondContact O-N 3.4Å; T373-L412 VanDerWaalsContact CA-O 3.31Å; T373-L412 WeakPolarHBondContact CA-O 3.33Å; V374-L412 PolarHBondContact N-O 2.86Å; L412-L461 HydrophobicContact CD1-CB 4.48Å; L412-L461 HydrophobicContact CD1-CD2 3.86Å; L412-L461 HydrophobicContact CD1-CG 3.93Å; L412-L463 HydrophobicContact CD1-CD1 3.89Å
413	V	97.7	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.2	-178.1	-173.8	0	0	0	0	110.4	V374 L376 I411 V460 L461 I462 L463	V374-V413 HydrophobicContact CB-CG1 4.46Å; V374-V413 HydrophobicContact CB-CG2 4.24Å; V374-V413 CarbonylContact O-C 3.59Å; V374-V413 VanDerWaalsContact O-CA 3.3Å; V374-V413 WeakPolarHBondContact O-CA 3.07Å; L376-V413 HydrophobicContact CB-CG1 3.72Å; L376-V413 HydrophobicContact CD2-CG1 3.88Å; L376-V413 HydrophobicContact CG-CG1 4.41Å; I411-V413 HydrophobicContact CG2-CG2 3.99Å; V413-V460 HydrophobicContact CG2-CG1 3.62Å; V413-L461 PolarHBondContact N-O 2.67Å; V413-I462 HydrophobicContact CB-CB 4.3Å; V413-I462 HydrophobicContact CB-CG1 4Å; V413-I462 HydrophobicContact CB-CG2 4.24Å; V413-I462 HydrophobicContact CG1-CG2 4.26Å; V413-I462 HydrophobicContact CG2-CG1 4.15Å; V413-L463 PolarHBondContact O-N 3.18Å
414	N	97.2	Very high	94.5	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.107	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	100.6	173.2	-169.3	-15.9	0	0	0	110.7	Y357 V374 L376 I416	Y357-N414 HydrophobicContact CD2-CB 3.94Å; Y357-N414 HydrophobicContact CE2-CB 3.44Å; Y357-N414 VanDerWaalsContact CE2-CB 3.44Å; V374-N414 PolarHBondContact O-N 3.1Å; L376-N414 PolarHBondContact N-O 3.33Å; N414-I416 VanDerWaalsContact OD1-CB 3.28Å; N414-I416 WeakPolarHBondContact OD1-CB 3.2Å; N414-I416 WeakPolarHBondContact OD1-CG1 3.45Å; N414-I416 PolarHBondContact OD1-N 2.88Å
415	E	96.3	Very high	94.4	Very high	11 Å²	11	51.5 Å²	51.5	5%	0.051	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	11.2	175	-165	179.5	179.4	0	0	111.8	L376 E417 M418 I462 L463 S468 L469	L376-E415 HydrophobicContact CB-CB 4.31Å; L376-E415 HydrophobicContact CD2-CB 4.12Å; L376-E415 HydrophobicContact CD2-CG 3.84Å; L376-E415 HydrophobicContact CG-CG 4.22Å; E415-E417 VanDerWaalsContact C-N 3.26Å; E415-E417 PolarHBondContact O-N 3.37Å; E415-M418 HydrophobicContact CG-CB 3.87Å; E415-M418 HydrophobicContact CG-CG 4.46Å; E415-M418 WeakPolarHBondContact O-CB 3.41Å; E415-M418 PolarHBondContact O-N 2.83Å; E415-I462 HydrophobicContact CB-CG2 4.1Å; E415-I462 VanDerWaalsContact OE2-CG2 3.29Å; E415-I462 WeakPolarHBondContact OE2-CG2 3.14Å; E415-L463 CarbonylContact C-O 3.46Å; E415-L463 WeakPolarHBondContact CA-O 3.42Å; E415-L463 WeakPolarHBondContact CB-O 3.31Å; E415-L463 PolarHBondContact N-O 2.76Å; E415-S468 PolarHBondContact OE1-OG 3.09Å; E415-S468 WeakPolarHBondContact OE2-CA 3.46Å; E415-S468 WeakPolarHBondContact OE2-CB 3.16Å; E415-S468 PolarHBondContact OE2-OG 3.39Å; E415-L469 WeakPolarHBondContact OE1-CB 3.16Å; E415-L469 VanDerWaalsContact OE1-CG 3.27Å; E415-L469 WeakPolarHBondContact OE1-CG 3.29Å; E415-L469 PolarHBondContact OE1-N 3.21Å
416	I	94.5	Very high	94.3	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.8	-176.6	-60.4	165.4	0	0	0	111.4	K350 L353 N414 L463 I465	K350-I416 HydrophobicContact CG-CG2 3.76Å; L353-I416 HydrophobicContact CB-CD1 3.79Å; L353-I416 HydrophobicContact CB-CG1 4.15Å; L353-I416 WeakPolarHBondContact O-CD1 3.45Å; N414-I416 VanDerWaalsContact OD1-CB 3.28Å; N414-I416 WeakPolarHBondContact OD1-CB 3.2Å; N414-I416 WeakPolarHBondContact OD1-CG1 3.45Å; N414-I416 PolarHBondContact OD1-N 2.88Å; I416-L463 HydrophobicContact CD1-CB 4.24Å; I416-L463 HydrophobicContact CG1-CB 4.36Å; I416-L463 PolarHBondContact N-O 3.32Å; I416-I465 HydrophobicContact CG2-CD1 4.16Å; I416-I465 HydrophobicContact CG2-CG1 4Å; I416-I465 WeakPolarHBondContact O-CD1 3.3Å
417	E	91.8	Very high	94.3	Very high	72 Å²	72	55.5 Å²	55.5	34%	0.336	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	21.7	-179.4	-61.9	-179	177.6	0	0	113.3	K375 T377 E415 D419	K375-E417 WeakPolarHBondContact CE-OE2 3.47Å; K375-E417 IonicContact NZ-OE2 2.74Å; K375-E417 PolarHBondContact NZ-OE2 2.92Å; T377-E417 HydrophobicContact CG2-CB 3.92Å; T377-E417 WeakPolarHBondContact CG2-O 3.38Å; E415-E417 VanDerWaalsContact C-N 3.26Å; E415-E417 PolarHBondContact O-N 3.37Å; E417-D419 PolarHBondContact O-N 3.16Å
418	M	91.4	Very high	94.4	Very high	40 Å²	40	54.8 Å²	54.8	20%	0.197	30%	0.299	C	S	.	.			trans	-74.8	108	177.4	-178.5	59.3	78	0	0	111	L376 I378 L381 E415 L469	L376-M418 HydrophobicContact CB-CE 4.49Å; L376-M418 HydrophobicContact CD1-CE 3.99Å; L376-M418 HydrophobicContact CG-CE 3.62Å; L376-M418 WeakPolarHBondContact O-CE 3.44Å; I378-M418 HydrophobicContact CD1-SD 3.95Å; I378-M418 HydrophobicContact CG1-SD 3.95Å; L381-M418 HydrophobicContact CD1-CE 4.37Å; E415-M418 HydrophobicContact CG-CB 3.87Å; E415-M418 HydrophobicContact CG-CG 4.46Å; E415-M418 WeakPolarHBondContact O-CB 3.41Å; E415-M418 PolarHBondContact O-N 2.83Å; M418-L469 HydrophobicContact CE-CD1 3.81Å; M418-L469 HydrophobicContact CG-CD1 3.7Å; M418-L469 HydrophobicContact SD-CD1 4.05Å
419	D	87	Confident	94.5	Very high	120 Å²	120	56.9 Å²	56.9	64%	0.642	30%	0.304	S	S	*	.			trans	-95.6	161.5	174.9	-65.1	-42.8	0	0	0	112.6	I378 E417 G421	I378-D419 WeakPolarHBondContact CG1-O 3.45Å; E417-D419 PolarHBondContact O-N 3.16Å; D419-G421 PolarHBondContact O-N 2.82Å
420	S	87.9	Confident	94.5	Very high	126 Å²	126	56.9 Å²	56.9	88%	0.881	31%	0.305	S	S	*	.	S	Bend	trans	-64.7	132.6	171.1	60	0	0	0	0	111.3
421	G	90.8	Very high	94.4	Very high	58 Å²	58	58.6 Å²	58.6	60%	0.598	31%	0.312	S	S	*	.			trans	-174.6	-173.9	177.4	0	0	0	0	0	112	D419	D419-G421 PolarHBondContact O-N 2.82Å
422	Q	92.5	Very high	94.2	Very high	167 Å²	167	63.3 Å²	63.3	78%	0.78	33%	0.334	S	S	*	.			trans	-107.2	129.8	178.5	-171.6	174.8	4.7	0	0	110.8	N382	N382-Q422 PolarHBondContact ND2-O 2.88Å; N382-Q422 VanDerWaalsContact ND2-O 3.13Å
423	L	93.6	Very high	94.1	Very high	56 Å²	56	63.4 Å²	63.4	29%	0.293	34%	0.335	S	S	.	.			trans	-77	128.7	168	-66.3	176.2	0	0	0	109.5	I378 L381 F431	I378-L423 HydrophobicContact CD1-CD2 3.77Å; I378-L423 HydrophobicContact CD1-CG 4.23Å; L381-L423 HydrophobicContact CB-CD2 3.95Å; L381-L423 HydrophobicContact CD1-CD2 3.61Å; L381-L423 HydrophobicContact CG-CD2 4.45Å; L423-F431 HydrophobicContact CD1-CB 4.27Å; L423-F431 HydrophobicContact CD1-CG 4.44Å
424	Q	95.4	Very high	94.1	Very high	121 Å²	121	63.4 Å²	63.4	57%	0.565	34%	0.335	S	S	*	.			trans	-80.3	175.5	167.4	-61	178.5	3.1	0	0	109.3	N382 K426 G427 L428	N382-Q424 PolarHBondContact OD1-N 3.13Å; Q424-K426 PolarHBondContact O-N 3.46Å; Q424-G427 CarbonylContact O-C 3.49Å; Q424-G427 WeakPolarHBondContact O-CA 3.03Å; Q424-G427 PolarHBondContact O-N 3.47Å; Q424-L428 PolarHBondContact O-N 2.93Å
425	E	95.2	Very high	94	Very high	162 Å²	162	64.4 Å²	64.4	76%	0.757	34%	0.34	S	S	*	.	H	α-helix	trans	-52.2	-51.1	-179.5	-176.7	177.2	-169.3	0	0	112.6	G427 L428 L429	E425-G427 VanDerWaalsContact C-N 3.33Å; E425-G427 PolarHBondContact O-N 3.35Å; E425-L428 WeakPolarHBondContact O-CB 3.46Å; E425-L428 PolarHBondContact O-N 2.85Å; E425-L429 WeakPolarHBondContact O-CG 3.31Å; E425-L429 PolarHBondContact O-N 2.9Å
426	K	94.5	Very high	93.9	Very high	88 Å²	88	65 Å²	65	38%	0.383	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-40.7	176.2	179	177.8	164.9	-155.1	0	112.7	N382 G384 Q424 L428 L429 N430	N382-K426 WeakPolarHBondContact O-CD 3.37Å; N382-K426 PolarHBondContact O-NZ 2.86Å; G384-K426 WeakPolarHBondContact O-CE 3.27Å; G384-K426 PolarHBondContact O-NZ 3.3Å; Q424-K426 PolarHBondContact O-N 3.46Å; K426-L428 VanDerWaalsContact C-N 3.32Å; K426-L428 PolarHBondContact O-N 3.47Å; K426-L429 PolarHBondContact O-N 3.28Å; K426-N430 WeakPolarHBondContact O-CB 3.41Å; K426-N430 PolarHBondContact O-N 2.76Å
427	G	96	Very high	94	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-36.5	177.1	0	0	0	0	0	112.9	L381 N382 Q424 E425 F431	L381-G427 WeakPolarHBondContact O-CA 3.29Å; N382-G427 WeakPolarHBondContact OD1-CA 3.28Å; Q424-G427 CarbonylContact O-C 3.49Å; Q424-G427 WeakPolarHBondContact O-CA 3.03Å; Q424-G427 PolarHBondContact O-N 3.47Å; E425-G427 VanDerWaalsContact C-N 3.33Å; E425-G427 PolarHBondContact O-N 3.35Å; G427-F431 VanDerWaalsContact O-CB 3.31Å; G427-F431 WeakPolarHBondContact O-CB 3.39Å; G427-F431 PolarHBondContact O-N 3.09Å
428	L	95.7	Very high	94.1	Very high	83 Å²	83	61.5 Å²	61.5	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-46.9	174.5	-177.7	65.4	0	0	0	111.1	Q424 E425 K426 F431 Q432	Q424-L428 PolarHBondContact O-N 2.93Å; E425-L428 WeakPolarHBondContact O-CB 3.46Å; E425-L428 PolarHBondContact O-N 2.85Å; K426-L428 VanDerWaalsContact C-N 3.32Å; K426-L428 PolarHBondContact O-N 3.47Å; L428-F431 PolarHBondContact O-N 2.78Å; L428-Q432 WeakPolarHBondContact O-CB 3.4Å; L428-Q432 VanDerWaalsContact O-CG 3.25Å; L428-Q432 WeakPolarHBondContact O-CG 3.49Å; L428-Q432 PolarHBondContact O-N 2.98Å
429	L	95.6	Very high	94.2	Very high	66 Å²	66	61 Å²	61	35%	0.346	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-43.7	177.8	-66.6	171.6	0	0	0	111.9	F388 E425 K426 F431 Q432 A433	F388-L429 HydrophobicContact CE1-CB 3.63Å; F388-L429 HydrophobicContact CZ-CB 3.82Å; F388-L429 HydrophobicContact CZ-CD1 4.28Å; E425-L429 WeakPolarHBondContact O-CG 3.31Å; E425-L429 PolarHBondContact O-N 2.9Å; K426-L429 PolarHBondContact O-N 3.28Å; L429-F431 PolarHBondContact O-N 2.66Å; L429-Q432 PolarHBondContact O-N 3.23Å; L429-A433 PolarHBondContact O-N 3.19Å
430	N	96.8	Very high	94.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-45.4	174.6	-85.9	-14.8	0	0	0	111.5	L381 P385 L387 K426 A433 L434	L381-N430 HydrophobicContact CD2-CB 3.9Å; L381-N430 PolarHBondContact O-ND2 2.96Å; P385-N430 PolarHBondContact O-ND2 3.42Å; L387-N430 HydrophobicContact CB-CB 4.47Å; L387-N430 HydrophobicContact CD1-CB 4.03Å; L387-N430 HydrophobicContact CG-CB 4.08Å; L387-N430 PolarHBondContact N-OD1 3.24Å; K426-N430 WeakPolarHBondContact O-CB 3.41Å; K426-N430 PolarHBondContact O-N 2.76Å; N430-A433 PolarHBondContact O-N 3.38Å; N430-L434 PolarHBondContact O-N 2.95Å; N430-L434 VanDerWaalsContact O-N 3.1Å
431	F	96.1	Very high	94.7	Very high	36 Å²	36	54.1 Å²	54.1	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-40.9	177.3	-177.1	-101.5	0	0	0	111.9	L381 L423 G427 L428 L429 A433 L434 N435 L469 I470	L381-F431 HydrophobicContact CD1-CB 4.28Å; L381-F431 HydrophobicContact CD1-CD2 4.24Å; L381-F431 HydrophobicContact CD2-CB 4.27Å; L423-F431 HydrophobicContact CD1-CB 4.27Å; L423-F431 HydrophobicContact CD1-CG 4.44Å; G427-F431 VanDerWaalsContact O-CB 3.31Å; G427-F431 WeakPolarHBondContact O-CB 3.39Å; G427-F431 PolarHBondContact O-N 3.09Å; L428-F431 PolarHBondContact O-N 2.78Å; L429-F431 PolarHBondContact O-N 2.66Å; F431-A433 PolarHBondContact O-N 2.88Å; F431-L434 PolarHBondContact O-N 3Å; F431-N435 HydrophobicContact CE1-CB 4.46Å; F431-N435 WeakPolarHBondContact O-CB 3.04Å; F431-N435 PolarHBondContact O-N 2.89Å; F431-L469 HydrophobicContact CE2-CB 4.11Å; F431-L469 HydrophobicContact CZ-CB 4.07Å; F431-I470 HydrophobicContact CE2-CG1 4.12Å; F431-I470 HydrophobicContact CZ-CG1 4.29Å
432	Q	95.3	Very high	94.8	Very high	98 Å²	98	56.2 Å²	56.2	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-43.3	175.7	-77.3	173.8	-11.4	0	0	112	L428 L429 N435 S436	L428-Q432 WeakPolarHBondContact O-CB 3.4Å; L428-Q432 VanDerWaalsContact O-CG 3.25Å; L428-Q432 WeakPolarHBondContact O-CG 3.49Å; L428-Q432 PolarHBondContact O-N 2.98Å; L429-Q432 PolarHBondContact O-N 3.23Å; Q432-N435 PolarHBondContact O-N 3.18Å; Q432-S436 WeakPolarHBondContact O-CB 3.3Å; Q432-S436 PolarHBondContact O-N 3.02Å
433	A	95.9	Very high	95	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-48.5	176.1	0	0	0	0	0	111.9	F388 L429 N430 F431 N435 S436 L437	F388-A433 HydrophobicContact CB-CB 3.84Å; F388-A433 HydrophobicContact CD1-CB 3.69Å; F388-A433 HydrophobicContact CG-CB 4.12Å; L429-A433 PolarHBondContact O-N 3.19Å; N430-A433 PolarHBondContact O-N 3.38Å; F431-A433 PolarHBondContact O-N 2.88Å; A433-N435 VanDerWaalsContact C-N 3.35Å; A433-N435 PolarHBondContact O-N 3.32Å; A433-S436 PolarHBondContact O-N 3.18Å; A433-L437 WeakPolarHBondContact O-CB 3.31Å; A433-L437 PolarHBondContact O-N 3.02Å
434	L	96.3	Very high	95	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-42	176.9	-178.7	62.9	0	0	0	111.8	V374 L376 L387 L403 N430 F431 L437 A438 I470	V374-L434 HydrophobicContact CG1-CD2 4.31Å; L376-L434 HydrophobicContact CD1-CD2 3.87Å; L376-L434 HydrophobicContact CD2-CD2 4.12Å; L387-L434 HydrophobicContact CD1-CB 4.32Å; L403-L434 HydrophobicContact CD1-CB 4.24Å; L403-L434 HydrophobicContact CD1-CD1 4.11Å; L403-L434 HydrophobicContact CD2-CD1 4.37Å; N430-L434 PolarHBondContact O-N 2.95Å; N430-L434 VanDerWaalsContact O-N 3.1Å; F431-L434 PolarHBondContact O-N 3Å; L434-L437 PolarHBondContact O-N 2.69Å; L434-A438 WeakPolarHBondContact O-CB 3.4Å; L434-A438 PolarHBondContact O-N 2.89Å; L434-I470 HydrophobicContact CD2-CD1 4.01Å; L434-I470 HydrophobicContact CG-CD1 3.88Å
435	N	95.5	Very high	95	Very high	41 Å²	41	42 Å²	42	22%	0.219	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-43	179.4	-174.3	76.1	0	0	0	111.9	F431 Q432 A433 L437 A438 I439 I470	F431-N435 HydrophobicContact CE1-CB 4.46Å; F431-N435 WeakPolarHBondContact O-CB 3.04Å; F431-N435 PolarHBondContact O-N 2.89Å; Q432-N435 PolarHBondContact O-N 3.18Å; A433-N435 VanDerWaalsContact C-N 3.35Å; A433-N435 PolarHBondContact O-N 3.32Å; N435-L437 VanDerWaalsContact C-N 3.35Å; N435-A438 PolarHBondContact O-N 2.85Å; N435-I439 WeakPolarHBondContact O-CB 3.05Å; N435-I439 VanDerWaalsContact O-CG1 3.32Å; N435-I439 WeakPolarHBondContact O-CG1 3.44Å; N435-I439 PolarHBondContact O-N 3.23Å; N435-I439 VanDerWaalsContact OD1-CD1 3.3Å; N435-I439 WeakPolarHBondContact OD1-CD1 3.15Å; N435-I470 WeakPolarHBondContact OD1-CG2 3.36Å
436	S	94.7	Very high	94.9	Very high	22 Å²	22	36.2 Å²	36.2	15%	0.154	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-41.8	176.1	-166	0	0	0	0	111.7	Q432 A433 H440 Q441 R442	Q432-S436 WeakPolarHBondContact O-CB 3.3Å; Q432-S436 PolarHBondContact O-N 3.02Å; A433-S436 PolarHBondContact O-N 3.18Å; S436-H440 WeakPolarHBondContact O-CA 3.48Å; S436-H440 WeakPolarHBondContact O-CB 3.5Å; S436-H440 PolarHBondContact O-N 2.79Å; S436-Q441 PolarHBondContact O-N 2.85Å; S436-R442 CarbonylContact C-O 3.6Å
437	L	95.6	Very high	94.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-41.2	177.5	-179.2	147	0	0	0	112	L403 I411 A433 L434 N435 Q441 R442 L443 V458 V460	L403-L437 HydrophobicContact CB-CD1 3.86Å; L403-L437 HydrophobicContact CD1-CD1 4.2Å; L403-L437 HydrophobicContact CG-CD1 4.45Å; I411-L437 HydrophobicContact CD1-CD2 3.75Å; A433-L437 WeakPolarHBondContact O-CB 3.31Å; A433-L437 PolarHBondContact O-N 3.02Å; L434-L437 PolarHBondContact O-N 2.69Å; N435-L437 VanDerWaalsContact C-N 3.35Å; L437-Q441 WeakPolarHBondContact O-CA 3.35Å; L437-Q441 PolarHBondContact O-N 2.89Å; L437-Q441 VanDerWaalsContact O-N 3.09Å; L437-R442 VanDerWaalsContact CA-O 3.24Å; L437-R442 WeakPolarHBondContact CA-O 3.39Å; L437-R442 PolarHBondContact N-O 3.23Å; L437-R442 VanDerWaalsContact N-O 3.09Å; L437-L443 HydrophobicContact CD1-CB 4.45Å; L437-L443 HydrophobicContact CD1-CD1 4.23Å; L437-V458 HydrophobicContact CD1-CG2 3.89Å; L437-V458 HydrophobicContact CD2-CG2 3.54Å; L437-V458 HydrophobicContact CG-CG2 3.62Å; L437-V460 HydrophobicContact CD2-CG2 3.49Å; L437-V460 VanDerWaalsContact CD2-CG2 3.49Å
438	A	95.2	Very high	94.1	Very high	3 Å²	3	39 Å²	39	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-36	179.6	0	0	0	0	0	113.4	A325 L434 N435 V460 I470	A325-A438 HydrophobicContact CB-CB 3.72Å; A325-A438 WeakPolarHBondContact CB-O 3.38Å; A325-A438 PolarHBondContact N-O 3.25Å; L434-A438 WeakPolarHBondContact O-CB 3.4Å; L434-A438 PolarHBondContact O-N 2.89Å; N435-A438 PolarHBondContact O-N 2.85Å; A438-V460 HydrophobicContact CB-CB 4.49Å; A438-V460 HydrophobicContact CB-CG1 4.38Å; A438-V460 HydrophobicContact CB-CG2 4.34Å; A438-I470 HydrophobicContact CB-CD1 4.06Å; A438-I470 HydrophobicContact CB-CG2 3.82Å
439	I	92.5	Very high	93.6	Very high	29 Å²	29	42.9 Å²	42.9	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-95.4	-40	-174.6	-60.6	173.6	0	0	0	112.1	H322 N435 I470 K471	H322-I439 PolarHBondContact CE1-O 2.96Å; N435-I439 WeakPolarHBondContact O-CB 3.05Å; N435-I439 VanDerWaalsContact O-CG1 3.32Å; N435-I439 WeakPolarHBondContact O-CG1 3.44Å; N435-I439 PolarHBondContact O-N 3.23Å; N435-I439 VanDerWaalsContact OD1-CD1 3.3Å; N435-I439 WeakPolarHBondContact OD1-CD1 3.15Å; I439-I470 HydrophobicContact CD1-CG2 4.18Å; I439-I470 HydrophobicContact CG1-CG2 3.97Å; I439-K471 WeakPolarHBondContact CD1-O 3.48Å; I439-K471 VanDerWaalsContact CG1-O 3.32Å; I439-K471 WeakPolarHBondContact CG1-O 3.49Å
440	H	91.9	Very high	93.4	Very high	94 Å²	94	45.8 Å²	45.8	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-116.4	-0.5	-171.3	-48.7	104.3	0	0	0	113.1	S436 R442	S436-H440 WeakPolarHBondContact O-CA 3.48Å; S436-H440 WeakPolarHBondContact O-CB 3.5Å; S436-H440 PolarHBondContact O-N 2.79Å; H440-R442 HydrophobicContact CB-CB 4.42Å; H440-R442 HydrophobicContact CB-CG 4.43Å; H440-R442 PolarHBondContact O-N 2.88Å
441	Q	93.6	Very high	93.1	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.033	23%	0.234	C	C	.	.	S	Bend	trans	50.5	41.2	-171.1	-61.5	-172.4	-39.4	0	0	112.2	S436 L437 T456 V458	S436-Q441 PolarHBondContact O-N 2.85Å; L437-Q441 WeakPolarHBondContact O-CA 3.35Å; L437-Q441 PolarHBondContact O-N 2.89Å; L437-Q441 VanDerWaalsContact O-N 3.09Å; Q441-T456 WeakPolarHBondContact CB-O 3.37Å; Q441-T456 WeakPolarHBondContact O-CA 3.5Å; Q441-T456 PolarHBondContact O-N 3.04Å; Q441-T456 PolarHBondContact O-OG1 2.86Å; Q441-V458 PolarHBondContact NE2-O 2.78Å
442	R	93.9	Very high	92.9	Very high	102 Å²	102	52 Å²	52	39%	0.385	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.3	177.4	-76.1	178.4	174.5	167.8	3	111.4	S436 L437 H440 D453 W454 D455	S436-R442 CarbonylContact C-O 3.6Å; L437-R442 VanDerWaalsContact CA-O 3.24Å; L437-R442 WeakPolarHBondContact CA-O 3.39Å; L437-R442 PolarHBondContact N-O 3.23Å; L437-R442 VanDerWaalsContact N-O 3.09Å; H440-R442 HydrophobicContact CB-CB 4.42Å; H440-R442 HydrophobicContact CB-CG 4.43Å; H440-R442 PolarHBondContact O-N 2.88Å; R442-D453 HydrophobicContact CB-CB 4.4Å; R442-W454 WeakPolarHBondContact CA-O 3.26Å; R442-D455 WeakPolarHBondContact CG-OD1 3.34Å; R442-D455 IonicContact CZ-OD1 3.93Å; R442-D455 IonicContact NE-OD1 2.82Å; R442-D455 PolarHBondContact NE-OD1 3.21Å; R442-D455 IonicContact NH2-OD1 3.12Å; R442-D455 PolarHBondContact NH2-OD1 2.98Å
443	L	95.6	Very high	92.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.4	174.1	-175.3	62.5	0	0	0	109.6	F388 P389 L403 Q404 L437 Y445 D453 W454 T456	F388-L443 HydrophobicContact CB-CD1 4.11Å; P389-L443 HydrophobicContact CG-CD2 4.29Å; L403-L443 HydrophobicContact CB-CD1 3.85Å; L403-L443 HydrophobicContact CB-CD2 4.35Å; L403-L443 HydrophobicContact CD1-CD1 4.41Å; L403-L443 WeakPolarHBondContact O-CD2 3.28Å; Q404-L443 HydrophobicContact CB-CD2 4.41Å; L437-L443 HydrophobicContact CD1-CB 4.45Å; L437-L443 HydrophobicContact CD1-CD1 4.23Å; L443-Y445 HydrophobicContact CB-CE2 4.06Å; L443-Y445 HydrophobicContact CD2-CE2 3.78Å; L443-Y445 HydrophobicContact CG-CD2 4.37Å; L443-Y445 HydrophobicContact CG-CE2 3.85Å; L443-Y445 WeakPolarHBondContact O-CD2 3.35Å; L443-D453 WeakPolarHBondContact O-CA 3.4Å; L443-W454 PolarHBondContact N-O 3.2Å; L443-W454 PolarHBondContact O-N 3.2Å; L443-T456 HydrophobicContact CB-CG2 3.88Å
444	L	94.4	Very high	92.5	Very high	44 Å²	44	53.9 Å²	53.9	23%	0.23	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138.2	174.7	179.7	135.2	0	0	0	110.1	F388 P389 D446 T451 D453	F388-L444 WeakPolarHBondContact CB-O 3.45Å; F388-L444 HydrophobicContact CD2-CD2 3.6Å; F388-L444 HydrophobicContact CE2-CD2 3.89Å; F388-L444 HydrophobicContact CG-CD2 4.15Å; P389-L444 WeakPolarHBondContact CD-O 3.45Å; L444-D446 HydrophobicContact CD2-CB 4.49Å; L444-T451 HydrophobicContact CD1-CG2 4.3Å; L444-T451 HydrophobicContact CD2-CG2 4.31Å; L444-T451 HydrophobicContact CG-CG2 4.5Å; L444-D453 WeakPolarHBondContact CA-OD1 3.36Å; L444-D453 WeakPolarHBondContact CB-OD1 3.49Å
445	Y	94.2	Very high	92.3	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.2	171.4	-76.7	-113.5	0	0	0	108.5	I211 N212 P389 L398 L443 T451 Q452 W454	I211-Y445 HydrophobicContact CG2-CE1 4.08Å; N212-Y445 PolarHBondContact ND2-OH 3.26Å; N212-Y445 PolarHBondContact OD1-OH 3.3Å; P389-Y445 HydrophobicContact CB-CD1 3.53Å; P389-Y445 HydrophobicContact CB-CE1 3.61Å; P389-Y445 HydrophobicContact CB-CG 4.28Å; P389-Y445 HydrophobicContact CG-CD1 3.69Å; P389-Y445 HydrophobicContact CG-CD2 4.49Å; P389-Y445 HydrophobicContact CG-CE1 3.37Å; P389-Y445 HydrophobicContact CG-CE2 4.19Å; P389-Y445 HydrophobicContact CG-CG 4.27Å; L398-Y445 HydrophobicContact CD1-CD1 4.41Å; L398-Y445 HydrophobicContact CD2-CD1 4.1Å; L398-Y445 HydrophobicContact CD2-CE1 3.88Å; L443-Y445 HydrophobicContact CB-CE2 4.06Å; L443-Y445 HydrophobicContact CD2-CE2 3.78Å; L443-Y445 HydrophobicContact CG-CD2 4.37Å; L443-Y445 HydrophobicContact CG-CE2 3.85Å; L443-Y445 WeakPolarHBondContact O-CD2 3.35Å; Y445-T451 CarbonylContact O-C 3.52Å; Y445-T451 VanDerWaalsContact O-CA 3.23Å; Y445-T451 WeakPolarHBondContact O-CA 3.14Å; Y445-Q452 PolarHBondContact N-O 3.01Å; Y445-Q452 PolarHBondContact O-N 3.2Å; Y445-W454 AromaticContact CD1-CE3 3.56Å; Y445-W454 HydrophobicContact CD1-CE3 3.56Å; Y445-W454 AromaticContact CD1-CH2 3.91Å; Y445-W454 HydrophobicContact CD1-CH2 3.91Å; Y445-W454 AromaticContact CD1-CZ3 3.04Å; Y445-W454 HydrophobicContact CD1-CZ3 3.04Å; Y445-W454 AromaticContact CD2-CD2 3.97Å; Y445-W454 HydrophobicContact CD2-CD2 3.97Å; Y445-W454 AromaticContact CD2-CE3 3.2Å; Y445-W454 HydrophobicContact CD2-CE3 3.2Å; Y445-W454 AromaticContact CD2-CZ3 3.65Å; Y445-W454 HydrophobicContact CD2-CZ3 3.65Å; Y445-W454 AromaticContact CE1-CE3 3.53Å; Y445-W454 HydrophobicContact CE1-CE3 3.53Å; Y445-W454 HydrophobicContact CE1-CH2 4.35Å; Y445-W454 AromaticContact CE1-CZ3 3.18Å; Y445-W454 HydrophobicContact CE1-CZ3 3.18Å; Y445-W454 HydrophobicContact CE2-CB 4.43Å; Y445-W454 HydrophobicContact CE2-CD2 4.19Å; Y445-W454 AromaticContact CE2-CE3 3.23Å; Y445-W454 HydrophobicContact CE2-CE3 3.23Å; Y445-W454 AromaticContact CE2-CZ3 3.82Å; Y445-W454 HydrophobicContact CE2-CZ3 3.82Å; Y445-W454 HydrophobicContact CG-CD2 4.27Å; Y445-W454 AromaticContact CG-CE3 3.38Å; Y445-W454 HydrophobicContact CG-CE3 3.38Å; Y445-W454 HydrophobicContact CG-CH2 4.08Å; Y445-W454 AromaticContact CG-CZ3 3.28Å; Y445-W454 HydrophobicContact CG-CZ3 3.28Å; Y445-W454 AromaticContact CZ-CE3 3.36Å; Y445-W454 AromaticContact CZ-CZ3 3.58Å
446	D	93.5	Very high	92.2	Very high	41 Å²	41	56 Å²	56	22%	0.219	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115	-179.9	-174.3	-4.7	0	0	0	110.3	F388 P389 I390 R391 L444 Q448 T451	F388-D446 HydrophobicContact CD2-CB 4.37Å; F388-D446 HydrophobicContact CE2-CB 4.02Å; P389-D446 PolarHBondContact O-N 2.95Å; I390-D446 CarbonylContact C-O 3.59Å; I390-D446 WeakPolarHBondContact CA-O 3.43Å; I390-D446 HydrophobicContact CG1-CB 4.21Å; I390-D446 HydrophobicContact CG2-CB 4.42Å; R391-D446 PolarHBondContact N-O 2.75Å; L444-D446 HydrophobicContact CD2-CB 4.49Å; D446-Q448 WeakPolarHBondContact OD1-CA 3.42Å; D446-Q448 PolarHBondContact OD1-N 2.73Å; D446-T451 HydrophobicContact CB-CG2 4.42Å
447	F	89.1	Confident	92.2	Very high	29 Å²	29	56.2 Å²	56.2	13%	0.127	26%	0.264	C	S	.	.			trans	-101.1	22.1	176	-65.1	-82.2	0	0	0	112.9	R391 F449 Y450 Q452 W454	R391-F447 HydrophobicContact CB-CD1 3.84Å; R391-F447 HydrophobicContact CG-CD1 4.22Å; F447-F449 PolarHBondContact O-N 3.23Å; F447-Y450 WeakPolarHBondContact CA-O 3.11Å; F447-Y450 HydrophobicContact CB-CD1 3.91Å; F447-Y450 HydrophobicContact CB-CD2 4.39Å; F447-Y450 HydrophobicContact CB-CE1 3.58Å; F447-Y450 HydrophobicContact CB-CE2 4.12Å; F447-Y450 HydrophobicContact CB-CG 4.3Å; F447-Y450 WeakPolarHBondContact CB-O 3.24Å; F447-Y450 AromaticContact CD2-CD2 3.89Å; F447-Y450 HydrophobicContact CD2-CD2 3.89Å; F447-Y450 HydrophobicContact CD2-CE1 4.25Å; F447-Y450 AromaticContact CD2-CE2 3.26Å; F447-Y450 HydrophobicContact CD2-CE2 3.26Å; F447-Y450 AromaticContact CD2-CZ 3.46Å; F447-Y450 VanDerWaalsContact CD2-CZ 3.46Å; F447-Y450 AromaticContact CE2-CE2 3.75Å; F447-Y450 HydrophobicContact CE2-CE2 3.75Å; F447-Y450 HydrophobicContact CG-CE1 4.01Å; F447-Y450 AromaticContact CG-CE2 3.88Å; F447-Y450 HydrophobicContact CG-CE2 3.88Å; F447-Y450 AromaticContact CG-CZ 3.58Å; F447-Y450 PolarHBondContact N-O 3.01Å; F447-Q452 HydrophobicContact CE2-CB 4.2Å; F447-W454 AromaticContact CE2-CH2 3.94Å; F447-W454 HydrophobicContact CE2-CH2 3.94Å; F447-W454 AromaticContact CE2-CZ2 3.98Å; F447-W454 HydrophobicContact CE2-CZ2 3.98Å; F447-W454 AromaticContact CZ-CH2 3.44Å; F447-W454 HydrophobicContact CZ-CH2 3.44Å; F447-W454 VanDerWaalsContact CZ-CH2 3.44Å; F447-W454 AromaticContact CZ-CZ2 3.8Å; F447-W454 HydrophobicContact CZ-CZ2 3.8Å; F447-W454 HydrophobicContact CZ-CZ3 4.45Å
448	Q	84.3	Confident	92.2	Very high	118 Å²	118	56.3 Å²	56.3	55%	0.551	27%	0.265	S	S	*	.	S	Bend	trans	68.1	-41.8	-179.3	-169.1	-179.9	1.3	0	0	114.7	M393 D446	M393-Q448 HydrophobicContact CG-CB 4.47Å; D446-Q448 WeakPolarHBondContact OD1-CA 3.42Å; D446-Q448 PolarHBondContact OD1-N 2.73Å
449	F	85.7	Confident	92.2	Very high	165 Å²	165	57.3 Å²	57.3	72%	0.724	27%	0.268	S	S	*	.	S	Bend	trans	-98.4	-22.8	178.5	-59.8	-72.9	0	0	0	113.4	M393 F447	M393-F449 HydrophobicContact CE-CE2 4.29Å; M393-F449 HydrophobicContact CG-CE2 4.3Å; F447-F449 PolarHBondContact O-N 3.23Å
450	Y	90.4	Very high	92.5	Very high	126 Å²	126	56.2 Å²	56.2	49%	0.494	26%	0.263	S	S	.	.			trans	-149.5	157.2	175.8	67.9	-83.6	0	0	0	109.3	F447 Q452	F447-Y450 WeakPolarHBondContact CA-O 3.11Å; F447-Y450 HydrophobicContact CB-CD1 3.91Å; F447-Y450 HydrophobicContact CB-CD2 4.39Å; F447-Y450 HydrophobicContact CB-CE1 3.58Å; F447-Y450 HydrophobicContact CB-CE2 4.12Å; F447-Y450 HydrophobicContact CB-CG 4.3Å; F447-Y450 WeakPolarHBondContact CB-O 3.24Å; F447-Y450 AromaticContact CD2-CD2 3.89Å; F447-Y450 HydrophobicContact CD2-CD2 3.89Å; F447-Y450 HydrophobicContact CD2-CE1 4.25Å; F447-Y450 AromaticContact CD2-CE2 3.26Å; F447-Y450 HydrophobicContact CD2-CE2 3.26Å; F447-Y450 AromaticContact CD2-CZ 3.46Å; F447-Y450 VanDerWaalsContact CD2-CZ 3.46Å; F447-Y450 AromaticContact CE2-CE2 3.75Å; F447-Y450 HydrophobicContact CE2-CE2 3.75Å; F447-Y450 HydrophobicContact CG-CE1 4.01Å; F447-Y450 AromaticContact CG-CE2 3.88Å; F447-Y450 HydrophobicContact CG-CE2 3.88Å; F447-Y450 AromaticContact CG-CZ 3.58Å; F447-Y450 PolarHBondContact N-O 3.01Å; Y450-Q452 HydrophobicContact CD2-CB 4.44Å; Y450-Q452 HydrophobicContact CE2-CB 4.31Å
451	T	90.5	Very high	92.8	Very high	84 Å²	84	51.7 Å²	51.7	52%	0.515	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.1	169.2	56.2	0	0	0	0	109.4	L444 Y445 D446	L444-T451 HydrophobicContact CD1-CG2 4.3Å; L444-T451 HydrophobicContact CD2-CG2 4.31Å; L444-T451 HydrophobicContact CG-CG2 4.5Å; Y445-T451 CarbonylContact O-C 3.52Å; Y445-T451 VanDerWaalsContact O-CA 3.23Å; Y445-T451 WeakPolarHBondContact O-CA 3.14Å; D446-T451 HydrophobicContact CB-CG2 4.42Å
452	Q	91.9	Very high	93	Very high	85 Å²	85	51.4 Å²	51.4	40%	0.397	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	132.2	175.7	-172.7	171	3.4	0	0	110	Y445 F447 Y450 W454	Y445-Q452 PolarHBondContact N-O 3.01Å; Y445-Q452 PolarHBondContact O-N 3.2Å; F447-Q452 HydrophobicContact CE2-CB 4.2Å; Y450-Q452 HydrophobicContact CD2-CB 4.44Å; Y450-Q452 HydrophobicContact CE2-CB 4.31Å; Q452-W454 VanDerWaalsContact NE2-NE1 3.12Å
453	D	91.5	Very high	93.2	Very high	78 Å²	78	46.5 Å²	46.5	42%	0.417	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.1	173.2	-67.5	-18.9	0	0	0	109.6	R442 L443 L444	R442-D453 HydrophobicContact CB-CB 4.4Å; L443-D453 WeakPolarHBondContact O-CA 3.4Å; L444-D453 WeakPolarHBondContact CA-OD1 3.36Å; L444-D453 WeakPolarHBondContact CB-OD1 3.49Å
454	W	91.9	Very high	93.1	Very high	62 Å²	62	46.6 Å²	46.6	24%	0.235	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.5	171	-67.7	-40	0	0	0	111.4	I211 R442 L443 Y445 F447 Q452	I211-W454 HydrophobicContact CB-CZ3 4.36Å; I211-W454 HydrophobicContact CD1-CE3 4.43Å; I211-W454 HydrophobicContact CD1-CH2 3.45Å; I211-W454 VanDerWaalsContact CD1-CH2 3.45Å; I211-W454 HydrophobicContact CD1-CZ2 4.5Å; I211-W454 HydrophobicContact CD1-CZ3 3.41Å; I211-W454 VanDerWaalsContact CD1-CZ3 3.41Å; I211-W454 HydrophobicContact CG1-CZ3 4.46Å; I211-W454 HydrophobicContact CG2-CZ3 4.22Å; R442-W454 WeakPolarHBondContact CA-O 3.26Å; L443-W454 PolarHBondContact N-O 3.2Å; L443-W454 PolarHBondContact O-N 3.2Å; Y445-W454 AromaticContact CD1-CE3 3.56Å; Y445-W454 HydrophobicContact CD1-CE3 3.56Å; Y445-W454 AromaticContact CD1-CH2 3.91Å; Y445-W454 HydrophobicContact CD1-CH2 3.91Å; Y445-W454 AromaticContact CD1-CZ3 3.04Å; Y445-W454 HydrophobicContact CD1-CZ3 3.04Å; Y445-W454 AromaticContact CD2-CD2 3.97Å; Y445-W454 HydrophobicContact CD2-CD2 3.97Å; Y445-W454 AromaticContact CD2-CE3 3.2Å; Y445-W454 HydrophobicContact CD2-CE3 3.2Å; Y445-W454 AromaticContact CD2-CZ3 3.65Å; Y445-W454 HydrophobicContact CD2-CZ3 3.65Å; Y445-W454 AromaticContact CE1-CE3 3.53Å; Y445-W454 HydrophobicContact CE1-CE3 3.53Å; Y445-W454 HydrophobicContact CE1-CH2 4.35Å; Y445-W454 AromaticContact CE1-CZ3 3.18Å; Y445-W454 HydrophobicContact CE1-CZ3 3.18Å; Y445-W454 HydrophobicContact CE2-CB 4.43Å; Y445-W454 HydrophobicContact CE2-CD2 4.19Å; Y445-W454 AromaticContact CE2-CE3 3.23Å; Y445-W454 HydrophobicContact CE2-CE3 3.23Å; Y445-W454 AromaticContact CE2-CZ3 3.82Å; Y445-W454 HydrophobicContact CE2-CZ3 3.82Å; Y445-W454 HydrophobicContact CG-CD2 4.27Å; Y445-W454 AromaticContact CG-CE3 3.38Å; Y445-W454 HydrophobicContact CG-CE3 3.38Å; Y445-W454 HydrophobicContact CG-CH2 4.08Å; Y445-W454 AromaticContact CG-CZ3 3.28Å; Y445-W454 HydrophobicContact CG-CZ3 3.28Å; Y445-W454 AromaticContact CZ-CE3 3.36Å; Y445-W454 AromaticContact CZ-CZ3 3.58Å; F447-W454 AromaticContact CE2-CH2 3.94Å; F447-W454 HydrophobicContact CE2-CH2 3.94Å; F447-W454 AromaticContact CE2-CZ2 3.98Å; F447-W454 HydrophobicContact CE2-CZ2 3.98Å; F447-W454 AromaticContact CZ-CH2 3.44Å; F447-W454 HydrophobicContact CZ-CH2 3.44Å; F447-W454 VanDerWaalsContact CZ-CH2 3.44Å; F447-W454 AromaticContact CZ-CZ2 3.8Å; F447-W454 HydrophobicContact CZ-CZ2 3.8Å; F447-W454 HydrophobicContact CZ-CZ3 4.45Å; Q452-W454 VanDerWaalsContact NE2-NE1 3.12Å
455	D	92.6	Very high	93	Very high	76 Å²	76	46.5 Å²	46.5	41%	0.406	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138	174.6	-71.3	-17.5	0	0	0	109.8	R312 R442	R312-D455 IonicContact CZ-OD1 3.28Å; R312-D455 IonicContact CZ-OD2 3.62Å; R312-D455 IonicContact NH1-OD2 3.8Å; R312-D455 PolarHBondContact NH1-OD2 2.93Å; R312-D455 IonicContact NH2-OD1 2.7Å; R312-D455 PolarHBondContact NH2-OD1 3.21Å; R312-D455 IonicContact NH2-OD2 2.98Å; R312-D455 PolarHBondContact NH2-OD2 3.03Å; R442-D455 WeakPolarHBondContact CG-OD1 3.34Å; R442-D455 IonicContact CZ-OD1 3.93Å; R442-D455 IonicContact NE-OD1 2.82Å; R442-D455 PolarHBondContact NE-OD1 3.21Å; R442-D455 IonicContact NH2-OD1 3.12Å; R442-D455 PolarHBondContact NH2-OD1 2.98Å
456	T	92.8	Very high	92.8	Very high	10 Å²	10	50.5 Å²	50.5	6%	0.061	25%	0.246	C	C	.	.			trans	-126.9	167	175.9	64.7	0	0	0	0	108.7	Q441 L443	Q441-T456 WeakPolarHBondContact CB-O 3.37Å; Q441-T456 WeakPolarHBondContact O-CA 3.5Å; Q441-T456 PolarHBondContact O-N 3.04Å; Q441-T456 PolarHBondContact O-OG1 2.86Å; L443-T456 HydrophobicContact CB-CG2 3.88Å
457	N	94.3	Very high	92.7	Very high	26 Å²	26	51.3 Å²	51.3	14%	0.139	25%	0.253	C	S	.	.			trans	-131.9	71.8	174	-178.8	17.9	0	0	0	107.6	R312 Q407 G408	R312-N457 HydrophobicContact CB-CB 4.31Å; R312-N457 PolarHBondContact N-OD1 2.74Å; Q407-N457 HydrophobicContact CB-CB 4.19Å; Q407-N457 HydrophobicContact CG-CB 4.25Å; G408-N457 PolarHBondContact N-O 2.97Å
458	V	95.7	Very high	92.9	Very high	3 Å²	3	50 Å²	50	2%	0.018	25%	0.248	C	C	.	.			trans	-120.3	150	-178.7	-62.2	0	0	0	0	109.6	L405 I411 L437 Q441	L405-V458 HydrophobicContact CB-CG1 4.44Å; I411-V458 HydrophobicContact CD1-CB 4.27Å; I411-V458 HydrophobicContact CD1-CG2 4.18Å; L437-V458 HydrophobicContact CD1-CG2 3.89Å; L437-V458 HydrophobicContact CD2-CG2 3.54Å; L437-V458 HydrophobicContact CG-CG2 3.62Å; Q441-V458 PolarHBondContact NE2-O 2.78Å
459	R	96.8	Very high	93.2	Very high	24 Å²	24	48.4 Å²	48.4	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.9	-178.7	-70.3	174.5	-71	-140.6	9.3	108.9	H307 L308 S310 G408 T409 E410 I411	H307-R459 WeakPolarHBondContact O-CD 3.38Å; L308-R459 VanDerWaalsContact C-NH1 3.33Å; L308-R459 PolarHBondContact O-NH1 2.69Å; S310-R459 PolarHBondContact O-NH1 2.9Å; G408-R459 PolarHBondContact O-NH2 3.02Å; T409-R459 PolarHBondContact O-N 2.66Å; E410-R459 WeakPolarHBondContact OE2-CB 3.33Å; E410-R459 IonicContact OE2-NE 3.6Å; E410-R459 PolarHBondContact OE2-NE 2.84Å; I411-R459 WeakPolarHBondContact CB-O 3.41Å; I411-R459 PolarHBondContact N-O 2.87Å
460	V	97.9	Very high	93.4	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.1	-177.7	-173.8	0	0	0	0	109.5	H307 A325 M326 I411 V413 L437 A438 I462	H307-V460 PolarHBondContact CE1-O 3.25Å; A325-V460 CarbonylContact C-O 3.53Å; A325-V460 WeakPolarHBondContact CA-O 3.37Å; A325-V460 HydrophobicContact CB-CB 3.72Å; A325-V460 HydrophobicContact CB-CG1 4.09Å; M326-V460 PolarHBondContact N-O 3.3Å; I411-V460 HydrophobicContact CB-CG2 4.35Å; I411-V460 HydrophobicContact CD1-CG2 4.35Å; V413-V460 HydrophobicContact CG2-CG1 3.62Å; L437-V460 HydrophobicContact CD2-CG2 3.49Å; L437-V460 VanDerWaalsContact CD2-CG2 3.49Å; A438-V460 HydrophobicContact CB-CB 4.49Å; A438-V460 HydrophobicContact CB-CG1 4.38Å; A438-V460 HydrophobicContact CB-CG2 4.34Å; V460-I462 HydrophobicContact CG1-CD1 4.28Å; V460-I462 HydrophobicContact CG1-CG1 3.85Å
461	L	98.2	Very high	93.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.7	173	167.6	57.6	0	0	0	109.1	L304 M326 I328 L360 L364 E410 I411 L412 V413 L463	L304-L461 HydrophobicContact CD1-CD2 3.96Å; M326-L461 HydrophobicContact CE-CD1 3.64Å; M326-L461 WeakPolarHBondContact O-CA 3.35Å; I328-L461 HydrophobicContact CD1-CD1 3.68Å; I328-L461 HydrophobicContact CG1-CD1 3.91Å; L360-L461 HydrophobicContact CD1-CD2 4.3Å; L360-L461 HydrophobicContact CD2-CD2 4.46Å; L364-L461 HydrophobicContact CD1-CD2 4.3Å; E410-L461 VanDerWaalsContact OE1-CB 3.25Å; E410-L461 WeakPolarHBondContact OE1-CB 3.48Å; I411-L461 PolarHBondContact O-N 3.06Å; L412-L461 HydrophobicContact CD1-CB 4.48Å; L412-L461 HydrophobicContact CD1-CD2 3.86Å; L412-L461 HydrophobicContact CD1-CG 3.93Å; V413-L461 PolarHBondContact N-O 2.67Å; L461-L463 HydrophobicContact CD1-CD1 4.03Å; L461-L463 HydrophobicContact CD2-CD1 4.39Å; L461-L463 HydrophobicContact CG-CD1 3.95Å
462	I	98.2	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.5	-175.6	-51	169.4	0	0	0	109.7	A325 M326 N327 I328 V413 E415 V460 I470 T473	A325-I462 HydrophobicContact CB-CD1 4.19Å; M326-I462 PolarHBondContact O-N 3.26Å; N327-I462 CarbonylContact C-O 3.6Å; N327-I462 WeakPolarHBondContact CA-O 3.06Å; N327-I462 HydrophobicContact CB-CB 4.3Å; N327-I462 PolarHBondContact ND2-O 3.42Å; I328-I462 PolarHBondContact N-O 3.44Å; V413-I462 HydrophobicContact CB-CB 4.3Å; V413-I462 HydrophobicContact CB-CG1 4Å; V413-I462 HydrophobicContact CB-CG2 4.24Å; V413-I462 HydrophobicContact CG1-CG2 4.26Å; V413-I462 HydrophobicContact CG2-CG1 4.15Å; E415-I462 HydrophobicContact CB-CG2 4.1Å; E415-I462 VanDerWaalsContact OE2-CG2 3.29Å; E415-I462 WeakPolarHBondContact OE2-CG2 3.14Å; V460-I462 HydrophobicContact CG1-CD1 4.28Å; V460-I462 HydrophobicContact CG1-CG1 3.85Å; I462-I470 HydrophobicContact CD1-CB 4.31Å; I462-I470 HydrophobicContact CD1-CD1 3.87Å; I462-T473 HydrophobicContact CD1-CG2 4.15Å
463	L	97.3	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.4	168.3	-83.1	72.8	0	0	0	110	I328 L356 Y357 L360 L412 V413 E415 I416 L461	I328-L463 WeakPolarHBondContact O-CA 3.15Å; L356-L463 HydrophobicContact CB-CD2 4.43Å; L356-L463 HydrophobicContact CD2-CD2 4.08Å; L356-L463 HydrophobicContact CG-CD2 4.03Å; Y357-L463 HydrophobicContact CD2-CD2 4.3Å; L360-L463 HydrophobicContact CD1-CD1 3.83Å; L360-L463 HydrophobicContact CD1-CD2 3.89Å; L360-L463 HydrophobicContact CD1-CG 4.45Å; L412-L463 HydrophobicContact CD1-CD1 3.89Å; V413-L463 PolarHBondContact O-N 3.18Å; E415-L463 CarbonylContact C-O 3.46Å; E415-L463 WeakPolarHBondContact CA-O 3.42Å; E415-L463 WeakPolarHBondContact CB-O 3.31Å; E415-L463 PolarHBondContact N-O 2.76Å; I416-L463 HydrophobicContact CD1-CB 4.24Å; I416-L463 HydrophobicContact CG1-CB 4.36Å; I416-L463 PolarHBondContact N-O 3.32Å; L461-L463 HydrophobicContact CD1-CD1 4.03Å; L461-L463 HydrophobicContact CD2-CD1 4.39Å; L461-L463 HydrophobicContact CG-CD1 3.95Å
464	S	94.8	Very high	92.6	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.8	-176.6	61.7	0	0	0	0	111.6	N327 I328 Y329 L353 V466	N327-S464 PolarHBondContact ND2-OG 3.39Å; N327-S464 PolarHBondContact OD1-OG 2.8Å; I328-S464 PolarHBondContact O-N 3.36Å; I328-S464 VanDerWaalsContact O-N 3.14Å; Y329-S464 WeakPolarHBondContact CA-O 3.38Å; Y329-S464 VanDerWaalsContact CB-O 3.3Å; Y329-S464 WeakPolarHBondContact CB-O 3.47Å; L353-S464 VanDerWaalsContact CD1-O 3.22Å; L353-S464 WeakPolarHBondContact CD1-O 3.22Å; S464-V466 WeakPolarHBondContact CB-O 3.45Å; S464-V466 PolarHBondContact OG-O 3.37Å
465	I	91.6	Very high	92.7	Very high	41 Å²	41	33.5 Å²	33.5	21%	0.21	19%	0.185	C	C	.	.	S	Bend	trans	-70.7	-41.7	176.4	-63.6	176.3	0	0	0	110.6	K350 L353 I416	K350-I465 HydrophobicContact CB-CD1 3.96Å; K350-I465 HydrophobicContact CD-CD1 4.38Å; K350-I465 HydrophobicContact CG-CD1 4.15Å; L353-I465 HydrophobicContact CD1-CG1 4.18Å; I416-I465 HydrophobicContact CG2-CD1 4.16Å; I416-I465 HydrophobicContact CG2-CG1 4Å; I416-I465 WeakPolarHBondContact O-CD1 3.3Å
466	V	89.5	Confident	92.9	Very high	85 Å²	85	30 Å²	30	52%	0.515	17%	0.166	S	C	.	.	S	Bend	trans	-119.6	167.1	178.3	-62.9	0	0	0	0	109.4	S464 S468	S464-V466 WeakPolarHBondContact CB-O 3.45Å; S464-V466 PolarHBondContact OG-O 3.37Å; V466-S468 PolarHBondContact O-N 3.38Å
467	P	91.9	Very high	92.9	Very high	58 Å²	58	29.5 Å²	29.5	38%	0.377	16%	0.163	S	C	.	.	S	Bend	trans	-48	131.9	173.7	-30	36.8	0	0	0	112.4	Y329 L475	Y329-P467 HydrophobicContact CD1-CG 4.44Å; Y329-P467 HydrophobicContact CD2-CG 4.19Å; Y329-P467 HydrophobicContact CE1-CG 4.16Å; Y329-P467 HydrophobicContact CE2-CG 3.9Å; Y329-P467 HydrophobicContact CG-CG 4.43Å; P467-L475 HydrophobicContact CB-CD1 4.42Å; P467-L475 HydrophobicContact CB-CD2 3.94Å
468	S	93.7	Very high	92.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	16%	0.158	C	C	.	.			trans	-52.7	152.7	-170.4	-175.7	0	0	0	0	114.6	N327 E415 V466 I470 K471	N327-S468 PolarHBondContact OD1-N 3.02Å; E415-S468 PolarHBondContact OE1-OG 3.09Å; E415-S468 WeakPolarHBondContact OE2-CA 3.46Å; E415-S468 WeakPolarHBondContact OE2-CB 3.16Å; E415-S468 PolarHBondContact OE2-OG 3.39Å; V466-S468 PolarHBondContact O-N 3.38Å; S468-I470 PolarHBondContact O-N 2.9Å; S468-I470 PolarHBondContact OG-N 2.99Å; S468-I470 VanDerWaalsContact OG-N 3.12Å; S468-K471 PolarHBondContact O-NZ 3.29Å; S468-K471 VanDerWaalsContact O-NZ 3.13Å
469	L	89.3	Confident	92.7	Very high	84 Å²	84	30 Å²	30	44%	0.44	16%	0.164	S	C	.	.	S	Bend	trans	-62	-32.9	166.7	-68.8	173.3	0	0	0	112	E415 M418 F431 K471	E415-L469 WeakPolarHBondContact OE1-CB 3.16Å; E415-L469 VanDerWaalsContact OE1-CG 3.27Å; E415-L469 WeakPolarHBondContact OE1-CG 3.29Å; E415-L469 PolarHBondContact OE1-N 3.21Å; M418-L469 HydrophobicContact CE-CD1 3.81Å; M418-L469 HydrophobicContact CG-CD1 3.7Å; M418-L469 HydrophobicContact SD-CD1 4.05Å; F431-L469 HydrophobicContact CE2-CB 4.11Å; F431-L469 HydrophobicContact CZ-CB 4.07Å; L469-K471 PolarHBondContact O-N 2.92Å
470	I	91.1	Very high	92.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-69.4	113.8	172.8	-60.8	177.4	0	0	0	107.7	F431 L434 N435 A438 I439 I462 S468 T473	F431-I470 HydrophobicContact CE2-CG1 4.12Å; F431-I470 HydrophobicContact CZ-CG1 4.29Å; L434-I470 HydrophobicContact CD2-CD1 4.01Å; L434-I470 HydrophobicContact CG-CD1 3.88Å; N435-I470 WeakPolarHBondContact OD1-CG2 3.36Å; A438-I470 HydrophobicContact CB-CD1 4.06Å; A438-I470 HydrophobicContact CB-CG2 3.82Å; I439-I470 HydrophobicContact CD1-CG2 4.18Å; I439-I470 HydrophobicContact CG1-CG2 3.97Å; I462-I470 HydrophobicContact CD1-CB 4.31Å; I462-I470 HydrophobicContact CD1-CD1 3.87Å; S468-I470 PolarHBondContact O-N 2.9Å; S468-I470 PolarHBondContact OG-N 2.99Å; S468-I470 VanDerWaalsContact OG-N 3.12Å; I470-T473 HydrophobicContact CB-CG2 4.17Å; I470-T473 HydrophobicContact CG2-CG2 3.83Å; I470-T473 VanDerWaalsContact O-CG2 3.29Å; I470-T473 WeakPolarHBondContact O-CG2 3.32Å; I470-T473 PolarHBondContact O-OG1 3.32Å
471	K	87.2	Confident	91.8	Very high	130 Å²	130	36.4 Å²	36.4	57%	0.565	20%	0.195	S	C	*	.	S	Bend	trans	-79.8	164.1	-179.1	-57.5	-54.9	171.7	-158.6	0	110.8	I439 S468 L469 T473	I439-K471 WeakPolarHBondContact CD1-O 3.48Å; I439-K471 VanDerWaalsContact CG1-O 3.32Å; I439-K471 WeakPolarHBondContact CG1-O 3.49Å; S468-K471 PolarHBondContact O-NZ 3.29Å; S468-K471 VanDerWaalsContact O-NZ 3.13Å; L469-K471 PolarHBondContact O-N 2.92Å; K471-T473 VanDerWaalsContact C-N 3.31Å; K471-T473 PolarHBondContact O-N 2.98Å
472	S	81.7	Confident	90.9	Very high	92 Å²	92	39.2 Å²	39.2	64%	0.643	22%	0.215	S	C	*	.	S	Bend	trans	62.5	33.2	-179.6	-50	0	0	0	0	114.7	P324	P324-S472 VanDerWaalsContact CB-O 3.25Å; P324-S472 WeakPolarHBondContact CB-O 3.47Å
473	T	84.1	Confident	89.8	Confident	20 Å²	20	42.1 Å²	42.1	12%	0.123	23%	0.228	C	C	.	.			trans	-88.9	155.5	173.8	49.3	0	0	0	0	111.7	A325 I462 I470 K471 L475	A325-T473 HydrophobicContact CB-CG2 4.1Å; A325-T473 CarbonylContact O-C 3.54Å; A325-T473 VanDerWaalsContact O-CA 3.23Å; A325-T473 WeakPolarHBondContact O-CA 3.19Å; A325-T473 VanDerWaalsContact O-CB 3.24Å; A325-T473 WeakPolarHBondContact O-CB 3.47Å; I462-T473 HydrophobicContact CD1-CG2 4.15Å; I470-T473 HydrophobicContact CB-CG2 4.17Å; I470-T473 HydrophobicContact CG2-CG2 3.83Å; I470-T473 VanDerWaalsContact O-CG2 3.29Å; I470-T473 WeakPolarHBondContact O-CG2 3.32Å; I470-T473 PolarHBondContact O-OG1 3.32Å; K471-T473 VanDerWaalsContact C-N 3.31Å; K471-T473 PolarHBondContact O-N 2.98Å; T473-L475 PolarHBondContact O-N 2.72Å; T473-L475 WeakPolarHBondContact OG1-CD2 3.45Å
474	L	93.8	Very high	88.6	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	91.2	167.7	-169	72.1	0	0	0	108.9	Y303 P324 A325 N327 I548 R580	Y303-L474 HydrophobicContact CD1-CD2 3.54Å; Y303-L474 HydrophobicContact CE1-CD2 3.83Å; Y303-L474 HydrophobicContact CG-CD2 4.49Å; P324-L474 HydrophobicContact CG-CB 4.19Å; A325-L474 PolarHBondContact O-N 2.92Å; N327-L474 PolarHBondContact N-O 3.28Å; L474-I548 HydrophobicContact CD1-CG2 4.47Å; L474-R580 VanDerWaalsContact CD1-CZ 3.44Å
475	L	95.3	Very high	87.4	Confident	37 Å²	37	50.2 Å²	50.2	19%	0.194	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.1	-178.9	-66.3	178.9	0	0	0	111.7	N327 Y329 P467 T473 R580 I584	N327-L475 HydrophobicContact CB-CD2 4.15Å; N327-L475 WeakPolarHBondContact OD1-CD2 3.25Å; Y329-L475 HydrophobicContact CE1-CB 4.13Å; Y329-L475 HydrophobicContact CE1-CD2 4.36Å; P467-L475 HydrophobicContact CB-CD1 4.42Å; P467-L475 HydrophobicContact CB-CD2 3.94Å; T473-L475 PolarHBondContact O-N 2.72Å; T473-L475 WeakPolarHBondContact OG1-CD2 3.45Å; L475-R580 WeakPolarHBondContact O-CD 3.06Å; L475-R580 PolarHBondContact O-NH1 2.97Å; L475-I584 HydrophobicContact CB-CD1 3.96Å; L475-I584 HydrophobicContact CB-CG1 4.43Å
476	L	95.4	Very high	86.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	98.5	178	-69.1	173.1	0	0	0	110.3	V300 Y303 M326 N327 I328 Y329 W478 R580	V300-L476 HydrophobicContact CG2-CB 4.42Å; Y303-L476 HydrophobicContact CD1-CD2 4.47Å; Y303-L476 HydrophobicContact CD2-CD1 4.38Å; Y303-L476 HydrophobicContact CD2-CD2 3.47Å; Y303-L476 VanDerWaalsContact CD2-CD2 3.47Å; Y303-L476 HydrophobicContact CE2-CD2 3.9Å; Y303-L476 HydrophobicContact CG-CD1 4.01Å; Y303-L476 HydrophobicContact CG-CD2 3.81Å; M326-L476 HydrophobicContact CG-CD1 3.55Å; M326-L476 HydrophobicContact CG-CG 4.48Å; M326-L476 HydrophobicContact SD-CD1 3.46Å; M326-L476 WeakPolarHBondContact SD-CD1 3.3Å; N327-L476 PolarHBondContact O-N 2.71Å; I328-L476 WeakPolarHBondContact CA-O 3.35Å; I328-L476 HydrophobicContact CG1-CB 4.35Å; I328-L476 HydrophobicContact CG1-CD1 4.35Å; Y329-L476 PolarHBondContact N-O 2.95Å; L476-W478 PolarHBondContact O-N 3.28Å; L476-R580 VanDerWaalsContact CD2-CD 3.4Å; L476-R580 HydrophobicContact CD2-CG 3.77Å
477	P	94.2	Very high	84.6	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	117.5	166.2	-5.4	17.8	0	0	0	108.7	Y329 R583 I584	Y329-P477 HydrophobicContact CE1-CB 4.23Å; Y329-P477 HydrophobicContact CE1-CG 3.97Å; Y329-P477 HydrophobicContact CE2-CB 4.17Å; Y329-P477 HydrophobicContact CE2-CG 4.46Å; Y329-P477 WeakPolarHBondContact OH-CG 3.35Å; P477-R583 HydrophobicContact CB-CB 4.26Å; P477-R583 HydrophobicContact CG-CB 3.74Å; P477-I584 HydrophobicContact CG-CG1 3.88Å
478	W	93.7	Very high	82.7	Confident	6 Å²	6	58 Å²	58	2%	0.023	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.8	177.7	178.7	37.3	0	0	0	110.4	F294 I328 Y329 S331 I352 L353 L356 L476 P480	F294-W478 PolarHBondContact O-NE1 2.88Å; I328-W478 HydrophobicContact CG2-CB 3.8Å; I328-W478 HydrophobicContact CG2-CG 4.4Å; Y329-W478 PolarHBondContact O-N 2.91Å; S331-W478 WeakPolarHBondContact CB-O 3.13Å; S331-W478 PolarHBondContact N-O 2.93Å; I352-W478 HydrophobicContact CG2-CH2 3.61Å; I352-W478 HydrophobicContact CG2-CZ3 3.44Å; I352-W478 VanDerWaalsContact CG2-CZ3 3.44Å; L353-W478 HydrophobicContact CD2-CE3 3.9Å; L353-W478 HydrophobicContact CD2-CZ3 4.16Å; L356-W478 HydrophobicContact CB-CH2 3.92Å; L356-W478 HydrophobicContact CB-CZ3 3.9Å; L356-W478 HydrophobicContact CD1-CH2 4.39Å; L356-W478 HydrophobicContact CD1-CZ2 4.41Å; L356-W478 HydrophobicContact CD2-CD2 3.89Å; L356-W478 HydrophobicContact CD2-CE3 3.59Å; L356-W478 HydrophobicContact CD2-CH2 3.9Å; L356-W478 HydrophobicContact CD2-CZ2 4.18Å; L356-W478 HydrophobicContact CD2-CZ3 3.56Å; L356-W478 HydrophobicContact CG-CH2 4.28Å; L356-W478 HydrophobicContact CG-CZ3 4.27Å; L476-W478 PolarHBondContact O-N 3.28Å; W478-P480 HydrophobicContact CD2-CG 4.39Å; W478-P480 HydrophobicContact CZ2-CB 3.88Å; W478-P480 HydrophobicContact CZ2-CG 4.05Å
479	E	90.2	Very high	81.1	Confident	33 Å²	33	61.9 Å²	61.9	15%	0.154	32%	0.32	C	S	.	.			trans	-126	77.9	-177.2	-73.7	-172.7	166.1	0	0	109.7	D297 S331 I334 R583	D297-E479 PolarHBondContact OD2-N 3.2Å; S331-E479 PolarHBondContact OG-OE1 2.9Å; I334-E479 HydrophobicContact CD1-CB 3.63Å; I334-E479 HydrophobicContact CD1-CG 4.03Å; E479-R583 WeakPolarHBondContact OE2-CD 3.37Å; E479-R583 WeakPolarHBondContact OE2-CG 3.46Å; E479-R583 IonicContact OE2-CZ 2.91Å; E479-R583 IonicContact OE2-NE 2.74Å; E479-R583 PolarHBondContact OE2-NE 3.04Å
480	P	88.9	Confident	80	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.019	31%	0.306	C	S	.	.			trans	-65.7	141.8	179	27.8	-34	0	0	0	111.1	N295 I335 W478	N295-P480 HydrophobicContact CB-CB 3.89Å; I335-P480 HydrophobicContact CD1-CG 4.41Å; W478-P480 HydrophobicContact CD2-CG 4.39Å; W478-P480 HydrophobicContact CZ2-CB 3.88Å; W478-P480 HydrophobicContact CZ2-CG 4.05Å
481	E	87.3	Confident	78.6	Confident	160 Å²	160	60.6 Å²	60.6	75%	0.748	31%	0.313	S	S	*	.	S	Bend	trans	-72	-34.5	177.2	-63.9	-172.9	156.5	0	0	111.7	N295	N295-E481 PolarHBondContact O-N 3.15Å
482	S	79.7	Confident	77.7	Confident	60 Å²	60	59.5 Å²	59.5	42%	0.42	32%	0.321	S	S	.	.			trans	-145.3	157.5	173.2	64.9	0	0	0	0	109.3	N295	N295-S482 WeakPolarHBondContact CB-O 3.3Å
483	F	75.3	Confident	77.6	Confident	60 Å²	60	59.3 Å²	59.3	26%	0.263	32%	0.32	S	S	.	.			trans	-113.7	102.6	167.2	-176.5	-99.1	0	0	0	108.7	Y351 I352 K355 D485	Y351-F483 HydrophobicContact CE1-CE1 4.2Å; Y351-F483 HydrophobicContact CE1-CZ 4.46Å; I352-F483 HydrophobicContact CB-CD2 4.38Å; I352-F483 HydrophobicContact CB-CE2 4.04Å; I352-F483 HydrophobicContact CB-CZ 4.31Å; I352-F483 HydrophobicContact CD1-CD1 4.29Å; I352-F483 HydrophobicContact CD1-CD2 4.37Å; I352-F483 HydrophobicContact CD1-CG 4.18Å; I352-F483 HydrophobicContact CG1-CD1 4.13Å; I352-F483 HydrophobicContact CG1-CD2 4.05Å; I352-F483 HydrophobicContact CG1-CE1 3.94Å; I352-F483 HydrophobicContact CG1-CE2 3.86Å; I352-F483 HydrophobicContact CG1-CG 4.18Å; I352-F483 HydrophobicContact CG1-CZ 3.8Å; I352-F483 HydrophobicContact CG2-CD2 3.64Å; I352-F483 HydrophobicContact CG2-CE2 3.55Å; I352-F483 HydrophobicContact CG2-CG 4.47Å; I352-F483 HydrophobicContact CG2-CZ 4.31Å; K355-F483 HydrophobicContact CB-CZ 4.25Å; K355-F483 HydrophobicContact CG-CZ 4.43Å; F483-D485 HydrophobicContact CE1-CB 4.12Å
484	E	71.9	Confident	77.8	Confident	106 Å²	106	59.3 Å²	59.3	50%	0.495	32%	0.319	S	S	.	.			trans	-97.9	120	168.4	-64.3	-177.1	174.2	0	0	107.9	R359 N486	R359-E484 PolarHBondContact NH2-O 3.36Å; E484-N486 HydrophobicContact CB-CB 4.27Å; E484-N486 PolarHBondContact O-N 2.82Å; E484-N486 PolarHBondContact OE2-ND2 2.86Å
485	D	69.7	Low	77.7	Confident	67 Å²	67	61.5 Å²	61.5	36%	0.358	34%	0.335	S	S	.	.			trans	-76.2	49.3	165.3	-166	23.3	0	0	0	110	Y351 K355 F483 E487	Y351-D485 PolarHBondContact OH-OD2 3.05Å; Y351-D485 VanDerWaalsContact OH-OD2 3.1Å; K355-D485 WeakPolarHBondContact CE-OD1 3.43Å; K355-D485 IonicContact NZ-OD1 3.47Å; K355-D485 PolarHBondContact NZ-OD1 2.8Å; K355-D485 IonicContact NZ-OD2 3.7Å; K355-D485 PolarHBondContact NZ-OD2 2.86Å; K355-D485 VanDerWaalsContact NZ-OD2 3.1Å; F483-D485 HydrophobicContact CE1-CB 4.12Å; D485-E487 PolarHBondContact O-N 2.67Å
486	N	64.5	Low	77.6	Confident	76 Å²	76	64.1 Å²	64.1	41%	0.406	35%	0.346	S	S	.	.			trans	-79.6	101.3	168.1	-78.2	-24.1	0	0	0	106.2	R359 E484 N488	R359-N486 PolarHBondContact NH2-O 3.19Å; E484-N486 HydrophobicContact CB-CB 4.27Å; E484-N486 PolarHBondContact O-N 2.82Å; E484-N486 PolarHBondContact OE2-ND2 2.86Å; N486-N488 HydrophobicContact CB-CB 4.25Å; N486-N488 PolarHBondContact O-N 2.75Å
487	E	58	Low	77.4	Confident	147 Å²	147	73.9 Å²	73.9	69%	0.687	38%	0.383	S	S	*	.			trans	-67.7	1.7	159.9	-66.9	-170.5	169.9	0	0	111.7	K355 D485 D489	K355-E487 IonicContact NZ-OE1 3.69Å; K355-E487 PolarHBondContact NZ-OE1 3.4Å; D485-E487 PolarHBondContact O-N 2.67Å; E487-D489 PolarHBondContact O-N 3.43Å
488	N	52.8	Low	77.3	Confident	123 Å²	123	76.7 Å²	76.7	66%	0.658	40%	0.396	S	S	*	.			trans	-56.4	95.4	167.7	-70.6	-22.4	0	0	0	107.6	N486 V490	N486-N488 HydrophobicContact CB-CB 4.25Å; N486-N488 PolarHBondContact O-N 2.75Å; N488-V490 PolarHBondContact O-N 3.2Å
489	D	58.4	Low	77.3	Confident	85 Å²	85	76.8 Å²	76.8	46%	0.455	40%	0.397	S	S	.	.			trans	-43	116.6	174.4	-91.8	-25.7	0	0	0	107.3	E487 H491 S492	E487-D489 PolarHBondContact O-N 3.43Å; D489-H491 HydrophobicContact CB-CB 3.78Å; D489-H491 PolarHBondContact O-N 2.64Å; D489-H491 IonicContact OD1-CD2 3.61Å; D489-H491 PolarHBondContact OD1-CD2 3.2Å; D489-H491 IonicContact OD1-NE2 3.95Å; D489-H491 IonicContact OD2-CD2 3.6Å; D489-S492 PolarHBondContact O-N 3.11Å; D489-S492 PolarHBondContact O-OG 3.07Å
490	V	65.9	Low	77.5	Confident	27 Å²	27	76.9 Å²	76.9	16%	0.164	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-45.8	-27.5	165.7	-177.8	0	0	0	0	109.2	I289 T292 L293 N488 S492 S493 I494	I289-V490 HydrophobicContact CG2-CG1 3.8Å; T292-V490 HydrophobicContact CG2-CG2 4.34Å; L293-V490 HydrophobicContact CD1-CG2 4.39Å; N488-V490 PolarHBondContact O-N 3.2Å; V490-S492 PolarHBondContact O-N 3.22Å; V490-S493 PolarHBondContact O-N 3.14Å; V490-S493 PolarHBondContact O-OG 2.79Å; V490-I494 HydrophobicContact CG1-CD1 4.36Å
491	H	63	Low	77.7	Confident	30 Å²	30	79.8 Å²	79.8	14%	0.139	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-53.6	-41.9	171.6	-43.9	-52.6	0	0	0	116.1	F363 Q366 D489 S493 I494	F363-H491 VanDerWaalsContact CA-CE1 3.49Å; F363-H491 WeakPolarHBondContact CA-CE1 3.26Å; F363-H491 AromaticContact CD2-CE1 3.31Å; F363-H491 WeakPolarHBondContact CD2-CE1 3.48Å; F363-H491 AromaticContact CD2-ND1 3.78Å; F363-H491 AromaticContact CG-CE1 3.86Å; Q366-H491 VanDerWaalsContact CD-ND1 3.33Å; Q366-H491 PolarHBondContact NE2-CD2 3.03Å; Q366-H491 VanDerWaalsContact NE2-CD2 3.32Å; Q366-H491 PolarHBondContact NE2-CE1 3.17Å; Q366-H491 PolarHBondContact NE2-ND1 2.84Å; Q366-H491 VanDerWaalsContact NE2-ND1 3.18Å; Q366-H491 PolarHBondContact NE2-NE2 2.9Å; Q366-H491 PolarHBondContact OE1-CE1 3.34Å; Q366-H491 PolarHBondContact OE1-ND1 3.31Å; D489-H491 HydrophobicContact CB-CB 3.78Å; D489-H491 PolarHBondContact O-N 2.64Å; D489-H491 IonicContact OD1-CD2 3.61Å; D489-H491 PolarHBondContact OD1-CD2 3.2Å; D489-H491 IonicContact OD1-NE2 3.95Å; D489-H491 IonicContact OD2-CD2 3.6Å; H491-S493 PolarHBondContact O-N 3.33Å; H491-I494 PolarHBondContact O-N 2.81Å
492	S	68.1	Low	78	Confident	106 Å²	106	72.3 Å²	72.3	74%	0.741	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-58.7	-19.6	-174.4	60.8	0	0	0	0	113.1	D489 V490	D489-S492 PolarHBondContact O-N 3.11Å; D489-S492 PolarHBondContact O-OG 3.07Å; V490-S492 PolarHBondContact O-N 3.22Å
493	S	78.8	Confident	78.8	Confident	89 Å²	89	69.8 Å²	69.8	62%	0.622	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-95.9	-9.3	-179.9	73.8	0	0	0	0	115.2	V490 H491	V490-S493 PolarHBondContact O-N 3.14Å; V490-S493 PolarHBondContact O-OG 2.79Å; H491-S493 PolarHBondContact O-N 3.33Å
494	I	89.3	Confident	79.6	Confident	20 Å²	20	70 Å²	70	10%	0.103	36%	0.361	C	S	.	.			trans	-106.6	126.6	-172	-49.1	167.3	0	0	0	109.4	I289 F363 V490 H491 E498 L499	I289-I494 HydrophobicContact CD1-CD1 3.73Å; I289-I494 HydrophobicContact CD1-CG1 4.02Å; I289-I494 HydrophobicContact CG1-CD1 4.16Å; I289-I494 HydrophobicContact CG1-CG1 4.5Å; I289-I494 HydrophobicContact CG2-CD1 4.07Å; F363-I494 HydrophobicContact CE2-CD1 4.12Å; V490-I494 HydrophobicContact CG1-CD1 4.36Å; H491-I494 PolarHBondContact O-N 2.81Å; I494-E498 HydrophobicContact CG2-CB 4.02Å; I494-L499 HydrophobicContact CG2-CD2 3.85Å; I494-L499 HydrophobicContact CG2-CG 3.77Å
495	S	92	Very high	80.6	Confident	54 Å²	54	65.4 Å²	65.4	38%	0.378	34%	0.339	S	S	.	.			trans	-80.1	153.6	175.3	68.4	0	0	0	0	112	R497 E498 L499	S495-R497 PolarHBondContact O-N 2.83Å; S495-E498 PolarHBondContact N-OE2 2.88Å; S495-E498 WeakPolarHBondContact O-CB 3.5Å; S495-E498 PolarHBondContact O-N 3.37Å; S495-E498 WeakPolarHBondContact OG-CG 3.29Å; S495-E498 PolarHBondContact OG-OE2 3.24Å; S495-L499 PolarHBondContact O-N 2.89Å; S495-L499 VanDerWaalsContact O-N 3.09Å
496	E	92	Very high	81.8	Confident	91 Å²	91	62.7 Å²	62.7	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-58	-35.6	179.4	-169.5	59.9	-159.1	0	0	112.9	E498 L499 D500 R503	E496-E498 VanDerWaalsContact C-N 3.29Å; E496-E498 PolarHBondContact O-N 2.97Å; E496-L499 PolarHBondContact O-N 2.88Å; E496-D500 PolarHBondContact O-N 2.77Å; E496-R503 IonicContact OE1-CZ 2.65Å; E496-R503 IonicContact OE1-NH1 2.83Å; E496-R503 PolarHBondContact OE1-NH1 2.84Å; E496-R503 IonicContact OE1-NH2 3.48Å; E496-R503 PolarHBondContact OE1-NH2 3.09Å
497	R	91.5	Very high	83.1	Confident	207 Å²	207	59.5 Å²	59.5	78%	0.781	31%	0.308	S	S	*	.	H	α-helix	trans	-62.1	-38.6	176.2	-67.9	-178.5	-178.8	165.5	0.5	112.1	S495 D500 D501	S495-R497 PolarHBondContact O-N 2.83Å; R497-D500 WeakPolarHBondContact O-CB 3.2Å; R497-D500 PolarHBondContact O-N 3.48Å; R497-D501 VanDerWaalsContact O-CG 3.3Å; R497-D501 PolarHBondContact O-N 2.84Å
498	E	92.7	Very high	84.6	Confident	60 Å²	60	53 Å²	53	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-73.1	-36.3	179.7	-66.7	165.2	146.3	0	0	111.2	K285 I494 S495 E496 D501 M502	K285-E498 VanDerWaalsContact CE-CD 3.44Å; K285-E498 WeakPolarHBondContact CE-OE1 3.42Å; K285-E498 WeakPolarHBondContact CE-OE2 3.41Å; K285-E498 IonicContact NZ-OE1 2.87Å; K285-E498 PolarHBondContact NZ-OE1 2.93Å; K285-E498 IonicContact NZ-OE2 3.19Å; K285-E498 PolarHBondContact NZ-OE2 3.17Å; I494-E498 HydrophobicContact CG2-CB 4.02Å; S495-E498 PolarHBondContact N-OE2 2.88Å; S495-E498 WeakPolarHBondContact O-CB 3.5Å; S495-E498 PolarHBondContact O-N 3.37Å; S495-E498 WeakPolarHBondContact OG-CG 3.29Å; S495-E498 PolarHBondContact OG-OE2 3.24Å; E496-E498 VanDerWaalsContact C-N 3.29Å; E496-E498 PolarHBondContact O-N 2.97Å; E498-D501 PolarHBondContact O-N 2.86Å; E498-M502 HydrophobicContact CB-CE 4.44Å; E498-M502 VanDerWaalsContact O-CG 3.28Å; E498-M502 WeakPolarHBondContact O-CG 3.27Å; E498-M502 PolarHBondContact O-N 2.96Å
499	L	94	Very high	86.4	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-44.5	170.1	-70.4	174.4	0	0	0	111	I494 S495 E496 D501 M502 R503	I494-L499 HydrophobicContact CG2-CD2 3.85Å; I494-L499 HydrophobicContact CG2-CG 3.77Å; S495-L499 PolarHBondContact O-N 2.89Å; S495-L499 VanDerWaalsContact O-N 3.09Å; E496-L499 PolarHBondContact O-N 2.88Å; L499-D501 VanDerWaalsContact C-N 3.31Å; L499-D501 PolarHBondContact O-N 2.84Å; L499-M502 PolarHBondContact O-N 2.7Å; L499-R503 WeakPolarHBondContact O-CB 3.4Å; L499-R503 WeakPolarHBondContact O-CD 3.46Å; L499-R503 WeakPolarHBondContact O-CG 3.31Å; L499-R503 PolarHBondContact O-N 2.9Å
500	D	93.5	Very high	87.9	Confident	35 Å²	35	44.9 Å²	44.9	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-42.6	175.8	-74.7	-17.3	0	0	0	112.3	L262 E496 R497 R503 K504	L262-D500 HydrophobicContact CD1-CB 3.97Å; L262-D500 VanDerWaalsContact CD1-OD1 3.3Å; L262-D500 WeakPolarHBondContact CD1-OD1 3.28Å; E496-D500 PolarHBondContact O-N 2.77Å; R497-D500 WeakPolarHBondContact O-CB 3.2Å; R497-D500 PolarHBondContact O-N 3.48Å; D500-R503 PolarHBondContact O-N 2.7Å; D500-R503 IonicContact OD1-CZ 3.82Å; D500-R503 IonicContact OD1-NH1 3.1Å; D500-R503 PolarHBondContact OD1-NH1 3.44Å; D500-K504 WeakPolarHBondContact O-CB 3.17Å; D500-K504 VanDerWaalsContact O-CE 3.29Å; D500-K504 WeakPolarHBondContact O-CE 3.36Å; D500-K504 WeakPolarHBondContact O-CG 3.28Å; D500-K504 PolarHBondContact O-N 3.36Å
501	D	92.9	Very high	88.9	Confident	65 Å²	65	45.8 Å²	45.8	35%	0.348	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-38.1	177.3	-68.8	-22.7	0	0	0	112	I282 R497 E498 L499 K504 Y505	I282-D501 HydrophobicContact CD1-CB 3.96Å; I282-D501 HydrophobicContact CG1-CB 4.22Å; R497-D501 VanDerWaalsContact O-CG 3.3Å; R497-D501 PolarHBondContact O-N 2.84Å; E498-D501 PolarHBondContact O-N 2.86Å; L499-D501 VanDerWaalsContact C-N 3.31Å; L499-D501 PolarHBondContact O-N 2.84Å; D501-K504 IonicContact OD1-NZ 2.76Å; D501-K504 PolarHBondContact OD1-NZ 3.04Å; D501-Y505 WeakPolarHBondContact O-CB 3.27Å; D501-Y505 PolarHBondContact O-N 3.19Å
502	M	94.5	Very high	90.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-40.8	174.3	-66.6	170.3	-163	0	0	112.7	I282 K285 L286 I289 L367 E498 L499 Y505 L506	I282-M502 HydrophobicContact CG2-CG 3.91Å; K285-M502 HydrophobicContact CB-CE 4.33Å; K285-M502 HydrophobicContact CD-CE 3.87Å; K285-M502 HydrophobicContact CG-CE 3.77Å; L286-M502 HydrophobicContact CB-SD 4.44Å; L286-M502 HydrophobicContact CD1-SD 4Å; I289-M502 HydrophobicContact CD1-CE 3.44Å; I289-M502 VanDerWaalsContact CD1-CE 3.44Å; I289-M502 HydrophobicContact CD1-SD 3.99Å; L367-M502 HydrophobicContact CD1-CB 3.55Å; E498-M502 HydrophobicContact CB-CE 4.44Å; E498-M502 VanDerWaalsContact O-CG 3.28Å; E498-M502 WeakPolarHBondContact O-CG 3.27Å; E498-M502 PolarHBondContact O-N 2.96Å; L499-M502 PolarHBondContact O-N 2.7Å; M502-Y505 WeakPolarHBondContact O-CB 3.37Å; M502-Y505 PolarHBondContact O-N 2.76Å; M502-L506 WeakPolarHBondContact O-CG 3.35Å; M502-L506 PolarHBondContact O-N 3.31Å
503	R	95.1	Very high	90.9	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-46.8	175.8	-70.5	161.3	-172.2	162	1.9	111	W130 N260 L262 Q366 L367 E496 L499 D500 T507	W130-R503 HydrophobicContact CD2-CG 4.41Å; W130-R503 HydrophobicContact CH2-CB 4.05Å; W130-R503 HydrophobicContact CH2-CG 4.06Å; W130-R503 HydrophobicContact CZ2-CB 4.2Å; W130-R503 HydrophobicContact CZ2-CG 3.78Å; W130-R503 HydrophobicContact CZ3-CG 4.47Å; N260-R503 PolarHBondContact ND2-O 3.08Å; L262-R503 HydrophobicContact CD1-CB 4.04Å; Q366-R503 PolarHBondContact O-NE 2.87Å; Q366-R503 PolarHBondContact O-NH2 3.36Å; Q366-R503 VanDerWaalsContact O-NH2 3.16Å; L367-R503 WeakPolarHBondContact O-CG 3.39Å; E496-R503 IonicContact OE1-CZ 2.65Å; E496-R503 IonicContact OE1-NH1 2.83Å; E496-R503 PolarHBondContact OE1-NH1 2.84Å; E496-R503 IonicContact OE1-NH2 3.48Å; E496-R503 PolarHBondContact OE1-NH2 3.09Å; L499-R503 WeakPolarHBondContact O-CB 3.4Å; L499-R503 WeakPolarHBondContact O-CD 3.46Å; L499-R503 WeakPolarHBondContact O-CG 3.31Å; L499-R503 PolarHBondContact O-N 2.9Å; D500-R503 PolarHBondContact O-N 2.7Å; D500-R503 IonicContact OD1-CZ 3.82Å; D500-R503 IonicContact OD1-NH1 3.1Å; D500-R503 PolarHBondContact OD1-NH1 3.44Å; R503-T507 PolarHBondContact O-N 3.31Å; R503-T507 PolarHBondContact O-OG1 3.11Å
504	K	92.5	Very high	91.1	Very high	64 Å²	64	43.9 Å²	43.9	28%	0.278	21%	0.212	S	C	.	.	H	α-helix	trans	-58.1	-53.9	172.8	-77.7	175.9	-115.5	152.5	0	110	L262 V263 D500 D501 L506 T507 I508	L262-K504 HydrophobicContact CB-CD 4.4Å; L262-K504 HydrophobicContact CB-CG 3.79Å; V263-K504 HydrophobicContact CG2-CB 4.22Å; V263-K504 HydrophobicContact CG2-CG 3.94Å; D500-K504 WeakPolarHBondContact O-CB 3.17Å; D500-K504 VanDerWaalsContact O-CE 3.29Å; D500-K504 WeakPolarHBondContact O-CE 3.36Å; D500-K504 WeakPolarHBondContact O-CG 3.28Å; D500-K504 PolarHBondContact O-N 3.36Å; D501-K504 IonicContact OD1-NZ 2.76Å; D501-K504 PolarHBondContact OD1-NZ 3.04Å; K504-L506 PolarHBondContact O-N 3.17Å; K504-T507 PolarHBondContact O-N 2.99Å; K504-I508 HydrophobicContact CB-CD1 3.85Å; K504-I508 WeakPolarHBondContact O-CB 3.25Å; K504-I508 WeakPolarHBondContact O-CD1 3.5Å; K504-I508 WeakPolarHBondContact O-CG1 3.2Å; K504-I508 PolarHBondContact O-N 3.1Å
505	Y	93.1	Very high	90.8	Very high	10 Å²	10	47 Å²	47	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-50	-54.2	179.8	166.8	-90.2	0	0	0	112.2	I279 I282 R283 L286 L305 D501 M502 T507 I508 L509 T559	I279-Y505 HydrophobicContact CG2-CD2 3.9Å; I279-Y505 HydrophobicContact CG2-CE2 3.58Å; I282-Y505 HydrophobicContact CB-CD2 4.31Å; I282-Y505 HydrophobicContact CG2-CD1 4.24Å; I282-Y505 HydrophobicContact CG2-CD2 3.98Å; I282-Y505 HydrophobicContact CG2-CG 3.76Å; R283-Y505 HydrophobicContact CB-CE2 4.37Å; L286-Y505 HydrophobicContact CD2-CD1 4.22Å; L286-Y505 HydrophobicContact CD2-CE1 4.04Å; L305-Y505 HydrophobicContact CD1-CE1 4.16Å; D501-Y505 WeakPolarHBondContact O-CB 3.27Å; D501-Y505 PolarHBondContact O-N 3.19Å; M502-Y505 WeakPolarHBondContact O-CB 3.37Å; M502-Y505 PolarHBondContact O-N 2.76Å; Y505-T507 VanDerWaalsContact C-N 3.35Å; Y505-T507 PolarHBondContact O-N 2.64Å; Y505-I508 PolarHBondContact O-N 3.11Å; Y505-L509 HydrophobicContact CD1-CD1 4.25Å; Y505-L509 HydrophobicContact CD2-CD1 4.05Å; Y505-L509 HydrophobicContact CD2-CG 4.44Å; Y505-L509 HydrophobicContact CE1-CD1 3.69Å; Y505-L509 HydrophobicContact CE2-CD1 3.49Å; Y505-L509 VanDerWaalsContact CE2-CD1 3.49Å; Y505-L509 HydrophobicContact CE2-CG 4.3Å; Y505-L509 HydrophobicContact CG-CD1 4.39Å; Y505-L509 VanDerWaalsContact O-CG 3.29Å; Y505-L509 WeakPolarHBondContact O-CG 3.3Å; Y505-L509 PolarHBondContact O-N 3.41Å; Y505-L509 WeakPolarHBondContact OH-CD1 3.15Å; Y505-T559 VanDerWaalsContact OH-CA 3.28Å; Y505-T559 WeakPolarHBondContact OH-CA 3.34Å; Y505-T559 VanDerWaalsContact OH-CB 3.24Å; Y505-T559 WeakPolarHBondContact OH-CB 3.4Å; Y505-T559 PolarHBondContact OH-O 3Å; Y505-T559 VanDerWaalsContact OH-O 3.11Å
506	L	94.2	Very high	90.7	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-42.9	-179	-69.2	-179.1	0	0	0	113	L286 L305 L308 V309 L367 M502 K504 L509 S510	L286-L506 HydrophobicContact CD2-CD2 4.31Å; L305-L506 HydrophobicContact CD1-CD2 4.33Å; L308-L506 HydrophobicContact CB-CD1 4.47Å; L308-L506 HydrophobicContact CB-CD2 4.11Å; V309-L506 HydrophobicContact CG1-CD2 3.58Å; L367-L506 HydrophobicContact CD1-CD1 3.6Å; L367-L506 HydrophobicContact CD1-CG 4.4Å; L367-L506 HydrophobicContact CD2-CD1 3.87Å; L367-L506 HydrophobicContact CG-CD1 3.44Å; L367-L506 VanDerWaalsContact CG-CD1 3.44Å; M502-L506 WeakPolarHBondContact O-CG 3.35Å; M502-L506 PolarHBondContact O-N 3.31Å; K504-L506 PolarHBondContact O-N 3.17Å; L506-L509 PolarHBondContact O-N 2.88Å; L506-S510 PolarHBondContact O-N 3.2Å
507	T	92.4	Very high	90.8	Very high	9 Å²	9	44.5 Å²	44.5	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-70.2	-38.1	-178.1	-55.3	0	0	0	0	111.6	H258 N260 V263 R503 K504 Y505 S510 L511	H258-T507 HydrophobicContact CB-CG2 4.05Å; N260-T507 HydrophobicContact CB-CG2 3.87Å; N260-T507 PolarHBondContact ND2-OG1 2.74Å; V263-T507 HydrophobicContact CB-CG2 4.32Å; V263-T507 HydrophobicContact CG1-CG2 4.35Å; V263-T507 HydrophobicContact CG2-CG2 4.14Å; R503-T507 PolarHBondContact O-N 3.31Å; R503-T507 PolarHBondContact O-OG1 3.11Å; K504-T507 PolarHBondContact O-N 2.99Å; Y505-T507 VanDerWaalsContact C-N 3.35Å; Y505-T507 PolarHBondContact O-N 2.64Å; T507-S510 PolarHBondContact O-OG 3.2Å; T507-L511 HydrophobicContact CG2-CD1 4.43Å; T507-L511 WeakPolarHBondContact O-CD1 3.38Å; T507-L511 VanDerWaalsContact O-CG 3.27Å; T507-L511 WeakPolarHBondContact O-CG 3.35Å; T507-L511 PolarHBondContact O-N 3.37Å
508	I	89.8	Confident	90.8	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-44.4	177.5	-78.7	137.6	0	0	0	110.5	V263 I272 K504 Y505 S510 L511 S512	V263-I508 HydrophobicContact CG1-CD1 4.41Å; V263-I508 HydrophobicContact CG1-CG1 4.09Å; V263-I508 HydrophobicContact CG2-CD1 4Å; V263-I508 HydrophobicContact CG2-CG1 4.36Å; I272-I508 HydrophobicContact CB-CG2 4.32Å; I272-I508 HydrophobicContact CD1-CB 3.66Å; I272-I508 HydrophobicContact CD1-CD1 3.13Å; I272-I508 HydrophobicContact CD1-CG1 3.23Å; I272-I508 HydrophobicContact CD1-CG2 3.14Å; I272-I508 HydrophobicContact CG1-CD1 4.44Å; I272-I508 HydrophobicContact CG1-CG2 4.17Å; I272-I508 HydrophobicContact CG2-CG2 3.93Å; K504-I508 HydrophobicContact CB-CD1 3.85Å; K504-I508 WeakPolarHBondContact O-CB 3.25Å; K504-I508 WeakPolarHBondContact O-CD1 3.5Å; K504-I508 WeakPolarHBondContact O-CG1 3.2Å; K504-I508 PolarHBondContact O-N 3.1Å; Y505-I508 PolarHBondContact O-N 3.11Å; I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 3.36Å; I508-L511 PolarHBondContact O-N 3.01Å; I508-L511 VanDerWaalsContact O-N 3.08Å; I508-S512 PolarHBondContact O-N 2.94Å
509	L	90.9	Very high	90.9	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-32.4	-177.6	-67.9	-171.9	0	0	0	112.2	V309 Y505 L506 L511 S512 L558	V309-L509 HydrophobicContact CB-CB 4.36Å; V309-L509 HydrophobicContact CG1-CB 4.19Å; V309-L509 HydrophobicContact CG1-CD1 3.92Å; Y505-L509 HydrophobicContact CD1-CD1 4.25Å; Y505-L509 HydrophobicContact CD2-CD1 4.05Å; Y505-L509 HydrophobicContact CD2-CG 4.44Å; Y505-L509 HydrophobicContact CE1-CD1 3.69Å; Y505-L509 HydrophobicContact CE2-CD1 3.49Å; Y505-L509 VanDerWaalsContact CE2-CD1 3.49Å; Y505-L509 HydrophobicContact CE2-CG 4.3Å; Y505-L509 HydrophobicContact CG-CD1 4.39Å; Y505-L509 VanDerWaalsContact O-CG 3.29Å; Y505-L509 WeakPolarHBondContact O-CG 3.3Å; Y505-L509 PolarHBondContact O-N 3.41Å; Y505-L509 WeakPolarHBondContact OH-CD1 3.15Å; L506-L509 PolarHBondContact O-N 2.88Å; L509-L511 PolarHBondContact O-N 2.91Å; L509-S512 PolarHBondContact O-N 3.11Å; L509-S512 PolarHBondContact O-OG 2.77Å; L509-S512 VanDerWaalsContact O-OG 3.1Å; L509-L558 WeakPolarHBondContact CD1-O 3.34Å; L509-L558 HydrophobicContact CD2-CB 4.41Å; L509-L558 WeakPolarHBondContact CD2-O 3.26Å
510	S	89.4	Confident	90.8	Very high	30 Å²	30	42.3 Å²	42.3	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-28.1	173.9	66.1	0	0	0	0	112.5	T311 L506 T507 I508	T311-S510 VanDerWaalsContact CG2-CB 3.44Å; L506-S510 PolarHBondContact O-N 3.2Å; T507-S510 PolarHBondContact O-OG 3.2Å; I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 3.36Å
511	L	87.9	Confident	90.9	Very high	46 Å²	46	48.5 Å²	48.5	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-88.6	-27.1	178.4	-59.5	167.5	0	0	0	113.9	A257 H258 T507 I508 L509 N513	A257-L511 HydrophobicContact CB-CD2 4.06Å; H258-L511 WeakPolarHBondContact CD2-CD1 3.46Å; T507-L511 HydrophobicContact CG2-CD1 4.43Å; T507-L511 WeakPolarHBondContact O-CD1 3.38Å; T507-L511 VanDerWaalsContact O-CG 3.27Å; T507-L511 WeakPolarHBondContact O-CG 3.35Å; T507-L511 PolarHBondContact O-N 3.37Å; I508-L511 PolarHBondContact O-N 3.01Å; I508-L511 VanDerWaalsContact O-N 3.08Å; L509-L511 PolarHBondContact O-N 2.91Å; L511-N513 PolarHBondContact O-N 3.3Å; L511-N513 VanDerWaalsContact O-N 3.17Å
512	S	87.7	Confident	91	Very high	13 Å²	13	46 Å²	46	9%	0.091	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-73.3	-5.1	-176.9	64.5	0	0	0	0	113.7	I508 L509 E514 N515	I508-S512 PolarHBondContact O-N 2.94Å; L509-S512 PolarHBondContact O-N 3.11Å; L509-S512 PolarHBondContact O-OG 2.77Å; L509-S512 VanDerWaalsContact O-OG 3.1Å; S512-E514 VanDerWaalsContact C-N 3.27Å; S512-E514 PolarHBondContact O-N 2.86Å; S512-N515 PolarHBondContact O-N 2.82Å
513	N	84.4	Confident	91.1	Very high	10 Å²	10	50 Å²	50	5%	0.053	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.7	-36.3	-176.6	-173.3	54.5	0	0	0	113.6	L313 L511 N515 Y516 R554 L558	L313-N513 WeakPolarHBondContact CD2-ND2 3.4Å; L313-N513 VanDerWaalsContact CD2-OD1 3.22Å; L313-N513 WeakPolarHBondContact CD2-OD1 3.36Å; L511-N513 PolarHBondContact O-N 3.3Å; L511-N513 VanDerWaalsContact O-N 3.17Å; N513-N515 PolarHBondContact O-N 2.7Å; N513-Y516 WeakPolarHBondContact O-CB 3.28Å; N513-Y516 PolarHBondContact O-N 2.79Å; N513-R554 PolarHBondContact O-NH2 2.8Å; N513-R554 PolarHBondContact OD1-NE 3.33Å; N513-R554 PolarHBondContact OD1-NH2 3.31Å; N513-L558 HydrophobicContact CB-CD1 4.43Å
514	E	82.3	Confident	91.1	Very high	162 Å²	162	55.8 Å²	55.8	76%	0.757	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.4	-177.2	-63	-174.1	163.8	0	0	113.7	S512	S512-E514 VanDerWaalsContact C-N 3.27Å; S512-E514 PolarHBondContact O-N 2.86Å
515	N	84.4	Confident	91.3	Very high	85 Å²	85	58 Å²	58	46%	0.455	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-91	0.2	-177.8	-60.8	-53.3	0	0	0	113.4	S512 N513 S517 Q563	S512-N515 PolarHBondContact O-N 2.82Å; N513-N515 PolarHBondContact O-N 2.7Å; N515-S517 PolarHBondContact O-N 3.37Å; N515-Q563 HydrophobicContact CB-CG 4.34Å
516	Y	90.5	Very high	91.4	Very high	28 Å²	28	57.8 Å²	57.8	11%	0.11	30%	0.296	C	S	.	.			trans	-71.1	129.2	-179	173.1	-83.4	0	0	0	111.3	N513 M518 R554 C557 Q563 P565	N513-Y516 WeakPolarHBondContact O-CB 3.28Å; N513-Y516 PolarHBondContact O-N 2.79Å; Y516-M518 WeakPolarHBondContact OH-CE 3.47Å; Y516-R554 HydrophobicContact CD1-CG 3.91Å; Y516-R554 HydrophobicContact CD2-CB 4.4Å; Y516-R554 HydrophobicContact CD2-CG 3.73Å; Y516-R554 HydrophobicContact CE1-CB 4.17Å; Y516-R554 HydrophobicContact CE1-CG 3.94Å; Y516-R554 HydrophobicContact CE2-CB 3.91Å; Y516-R554 HydrophobicContact CE2-CG 3.75Å; Y516-R554 HydrophobicContact CG-CG 3.77Å; Y516-C557 HydrophobicContact CE2-CB 4.04Å; Y516-Q563 VanDerWaalsContact CA-O 3.28Å; Y516-Q563 WeakPolarHBondContact CA-O 3.43Å; Y516-Q563 WeakPolarHBondContact CD2-O 3.41Å; Y516-P565 HydrophobicContact CE2-CG 4.07Å; Y516-P565 WeakPolarHBondContact OH-CG 3.3Å
517	S	92.6	Very high	91.5	Very high	66 Å²	66	61.7 Å²	61.7	46%	0.462	32%	0.317	S	S	.	.			trans	-136.5	150.9	174.2	57.7	0	0	0	0	110.7	N515 Q563 S564	N515-S517 PolarHBondContact O-N 3.37Å; S517-Q563 PolarHBondContact N-O 2.87Å; S517-S564 VanDerWaalsContact O-CA 3.24Å; S517-S564 WeakPolarHBondContact O-CA 3.38Å; S517-S564 VanDerWaalsContact O-CB 3.28Å; S517-S564 WeakPolarHBondContact O-CB 3.48Å; S517-S564 PolarHBondContact O-OG 3.16Å; S517-S564 PolarHBondContact OG-OG 2.99Å
518	M	92.4	Very high	91.6	Very high	36 Å²	36	66 Å²	66	18%	0.177	34%	0.337	C	S	.	.			trans	-117.7	130.8	178.3	-173.1	-174.4	-67.7	0	0	109.9	Y516 L522 Q523 I526 L553 P565	Y516-M518 WeakPolarHBondContact OH-CE 3.47Å; M518-L522 HydrophobicContact CG-CB 4.35Å; M518-L522 HydrophobicContact CG-CD2 4.05Å; M518-L522 HydrophobicContact CG-CG 4.27Å; M518-L522 HydrophobicContact SD-CG 4.43Å; M518-Q523 HydrophobicContact CB-CG 4.19Å; M518-Q523 HydrophobicContact CG-CG 3.74Å; M518-Q523 PolarHBondContact O-NE2 2.79Å; M518-Q523 HydrophobicContact SD-CB 4.42Å; M518-Q523 HydrophobicContact SD-CG 3.47Å; M518-Q523 WeakPolarHBondContact SD-CG 3.43Å; M518-I526 HydrophobicContact CE-CD1 3.93Å; M518-I526 HydrophobicContact SD-CD1 3.7Å; M518-L553 HydrophobicContact CE-CD2 3.75Å; M518-P565 HydrophobicContact CE-CG 4.19Å; M518-P565 HydrophobicContact CG-CG 4.1Å
519	D	93.3	Very high	91.9	Very high	98 Å²	98	66.6 Å²	66.6	52%	0.524	34%	0.34	S	S	.	.			trans	-66.4	147.6	178.8	-64.5	-26	0	0	0	111.7	E521 L522 Q523	D519-E521 VanDerWaalsContact C-N 3.31Å; D519-E521 PolarHBondContact O-N 3.4Å; D519-L522 PolarHBondContact O-N 3.21Å; D519-Q523 WeakPolarHBondContact O-CG 3.33Å; D519-Q523 PolarHBondContact O-N 3.3Å
520	S	93.6	Very high	92.2	Very high	94 Å²	94	68 Å²	68	66%	0.657	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-34.5	-176.5	-55.9	0	0	0	0	113.6	Q523 E524	S520-Q523 PolarHBondContact O-N 2.83Å; S520-E524 PolarHBondContact O-N 2.77Å
521	E	94.1	Very high	92.4	Very high	166 Å²	166	69.7 Å²	69.7	78%	0.776	36%	0.355	S	S	*	.	H	α-helix	trans	-63.2	-43.8	176.7	-177.3	178.9	-179.2	0	0	111.4	D519 E524 R525	D519-E521 VanDerWaalsContact C-N 3.31Å; D519-E521 PolarHBondContact O-N 3.4Å; E521-E524 PolarHBondContact O-N 3.41Å; E521-R525 PolarHBondContact O-N 2.83Å; E521-R525 VanDerWaalsContact O-N 3.07Å
522	L	95.8	Very high	92.8	Very high	13 Å²	13	72.6 Å²	72.6	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-69	-38.5	176.9	-178.9	60.4	0	0	0	111.5	M518 D519 E524 R525 I526 P565 L567 W570	M518-L522 HydrophobicContact CG-CB 4.35Å; M518-L522 HydrophobicContact CG-CD2 4.05Å; M518-L522 HydrophobicContact CG-CG 4.27Å; M518-L522 HydrophobicContact SD-CG 4.43Å; D519-L522 PolarHBondContact O-N 3.21Å; L522-E524 VanDerWaalsContact C-N 3.33Å; L522-E524 PolarHBondContact O-N 2.74Å; L522-R525 PolarHBondContact O-N 3.25Å; L522-I526 HydrophobicContact CD1-CD1 4.05Å; L522-I526 HydrophobicContact CD1-CG1 4.16Å; L522-I526 HydrophobicContact CD2-CD1 4.44Å; L522-I526 HydrophobicContact CG-CD1 3.81Å; L522-I526 HydrophobicContact CG-CG1 4.35Å; L522-I526 WeakPolarHBondContact O-CB 3.48Å; L522-I526 VanDerWaalsContact O-CG1 3.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.4Å; L522-I526 PolarHBondContact O-N 2.73Å; L522-P565 HydrophobicContact CD2-CB 3.92Å; L522-P565 HydrophobicContact CD2-CG 3.62Å; L522-P565 WeakPolarHBondContact CD2-O 3.36Å; L522-L567 HydrophobicContact CD1-CD1 4.28Å; L522-W570 HydrophobicContact CD1-CB 4.12Å
523	Q	96	Very high	93.1	Very high	86 Å²	86	73.9 Å²	73.9	40%	0.402	37%	0.37	S	S	.	.	H	α-helix	trans	-58.9	-44.2	173.7	-72.5	176.3	-14.3	0	0	111.8	M518 D519 S520 I526 N527	M518-Q523 HydrophobicContact CB-CG 4.19Å; M518-Q523 HydrophobicContact CG-CG 3.74Å; M518-Q523 PolarHBondContact O-NE2 2.79Å; M518-Q523 HydrophobicContact SD-CB 4.42Å; M518-Q523 HydrophobicContact SD-CG 3.47Å; M518-Q523 WeakPolarHBondContact SD-CG 3.43Å; D519-Q523 WeakPolarHBondContact O-CG 3.33Å; D519-Q523 PolarHBondContact O-N 3.3Å; S520-Q523 PolarHBondContact O-N 2.83Å; Q523-I526 PolarHBondContact O-N 2.93Å; Q523-N527 WeakPolarHBondContact O-CB 3.36Å; Q523-N527 VanDerWaalsContact O-CG 3.23Å; Q523-N527 PolarHBondContact O-N 2.98Å; Q523-N527 PolarHBondContact O-ND2 3.44Å
524	E	96.2	Very high	93.6	Very high	128 Å²	128	78.2 Å²	78.2	60%	0.598	39%	0.386	S	S	*	.	H	α-helix	trans	-59.8	-48.5	176.1	-174.7	170.3	-162.3	0	0	110.7	S520 E521 L522 I526 N527 E528	S520-E524 PolarHBondContact O-N 2.77Å; E521-E524 PolarHBondContact O-N 3.41Å; L522-E524 VanDerWaalsContact C-N 3.33Å; L522-E524 PolarHBondContact O-N 2.74Å; E524-I526 PolarHBondContact O-N 3.47Å; E524-N527 WeakPolarHBondContact O-CB 3.44Å; E524-N527 PolarHBondContact O-N 3.48Å; E524-N527 VanDerWaalsContact O-N 3.16Å; E524-E528 WeakPolarHBondContact O-CG 3.42Å; E524-E528 PolarHBondContact O-N 2.95Å
525	R	95.4	Very high	94.1	Very high	111 Å²	111	79.5 Å²	79.5	42%	0.419	38%	0.384	S	S	.	.	H	α-helix	trans	-60.2	-44.7	178.2	177.6	59.8	-164.7	-176.8	4.4	113.5	E521 L522 N527 E528 D529 L567	E521-R525 PolarHBondContact O-N 2.83Å; E521-R525 VanDerWaalsContact O-N 3.07Å; L522-R525 PolarHBondContact O-N 3.25Å; R525-N527 VanDerWaalsContact C-N 3.29Å; R525-N527 PolarHBondContact O-N 2.89Å; R525-E528 IonicContact NH1-OE2 3.93Å; R525-E528 PolarHBondContact NH1-OE2 2.98Å; R525-E528 WeakPolarHBondContact O-CB 3.24Å; R525-E528 PolarHBondContact O-N 2.9Å; R525-D529 IonicContact CZ-OD1 2.96Å; R525-D529 VanDerWaalsContact CZ-OD1 3.28Å; R525-D529 IonicContact NE-OD1 3.42Å; R525-D529 PolarHBondContact NE-OD1 2.85Å; R525-D529 IonicContact NE-OD2 3.47Å; R525-D529 PolarHBondContact NE-OD2 3.23Å; R525-D529 IonicContact NH2-OD1 3.74Å; R525-D529 PolarHBondContact NH2-OD1 3.46Å; R525-D529 IonicContact NH2-OD2 3.41Å; R525-D529 PolarHBondContact O-N 2.82Å; R525-L567 HydrophobicContact CG-CD1 3.72Å
526	I	96.7	Very high	94.3	Very high	5 Å²	5	78.3 Å²	78.3	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-39.5	177.5	-76	173.5	0	0	0	110.7	M518 L522 Q523 E524 D529 F530 F546 L550 L553 W570	M518-I526 HydrophobicContact CE-CD1 3.93Å; M518-I526 HydrophobicContact SD-CD1 3.7Å; L522-I526 HydrophobicContact CD1-CD1 4.05Å; L522-I526 HydrophobicContact CD1-CG1 4.16Å; L522-I526 HydrophobicContact CD2-CD1 4.44Å; L522-I526 HydrophobicContact CG-CD1 3.81Å; L522-I526 HydrophobicContact CG-CG1 4.35Å; L522-I526 WeakPolarHBondContact O-CB 3.48Å; L522-I526 VanDerWaalsContact O-CG1 3.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.4Å; L522-I526 PolarHBondContact O-N 2.73Å; Q523-I526 PolarHBondContact O-N 2.93Å; E524-I526 PolarHBondContact O-N 3.47Å; I526-D529 PolarHBondContact O-N 2.86Å; I526-F530 WeakPolarHBondContact O-CB 3.35Å; I526-F530 PolarHBondContact O-N 3.01Å; I526-F546 HydrophobicContact CG2-CE2 4.02Å; I526-F546 HydrophobicContact CG2-CZ 3.51Å; I526-L550 HydrophobicContact CG2-CD2 3.88Å; I526-L553 HydrophobicContact CD1-CD2 3.7Å; I526-W570 HydrophobicContact CD1-CD2 4.09Å; I526-W570 HydrophobicContact CD1-CE3 4.23Å; I526-W570 HydrophobicContact CD1-CG 4.3Å; I526-W570 HydrophobicContact CG1-CD2 3.72Å; I526-W570 HydrophobicContact CG1-CE3 4.25Å; I526-W570 HydrophobicContact CG1-CG 3.9Å; I526-W570 HydrophobicContact CG1-CZ2 4.14Å; I526-W570 HydrophobicContact CG2-CH2 4.39Å; I526-W570 HydrophobicContact CG2-CZ2 4.27Å
527	N	95.4	Very high	94.1	Very high	92 Å²	92	86.6 Å²	86.6	49%	0.492	41%	0.414	S	S	.	.	H	α-helix	trans	-66.2	-39.4	175.8	-74.7	-38.3	0	0	0	112.1	Q523 E524 R525 F530 V531	Q523-N527 WeakPolarHBondContact O-CB 3.36Å; Q523-N527 VanDerWaalsContact O-CG 3.23Å; Q523-N527 PolarHBondContact O-N 2.98Å; Q523-N527 PolarHBondContact O-ND2 3.44Å; E524-N527 WeakPolarHBondContact O-CB 3.44Å; E524-N527 PolarHBondContact O-N 3.48Å; E524-N527 VanDerWaalsContact O-N 3.16Å; R525-N527 VanDerWaalsContact C-N 3.29Å; R525-N527 PolarHBondContact O-N 2.89Å; N527-F530 PolarHBondContact O-N 3.16Å; N527-V531 WeakPolarHBondContact O-CB 3.4Å; N527-V531 VanDerWaalsContact O-CG2 3.28Å; N527-V531 WeakPolarHBondContact O-CG2 3.49Å; N527-V531 PolarHBondContact O-N 2.85Å
528	E	95.9	Very high	93.8	Very high	99 Å²	99	88.3 Å²	88.3	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-59.7	-48.7	173.5	-69.8	-179	161.5	0	0	111.7	E524 R525 F530 V531 Q532	E524-E528 WeakPolarHBondContact O-CG 3.42Å; E524-E528 PolarHBondContact O-N 2.95Å; R525-E528 IonicContact NH1-OE2 3.93Å; R525-E528 PolarHBondContact NH1-OE2 2.98Å; R525-E528 WeakPolarHBondContact O-CB 3.24Å; R525-E528 PolarHBondContact O-N 2.9Å; E528-F530 VanDerWaalsContact C-N 3.35Å; E528-F530 PolarHBondContact O-N 3.07Å; E528-V531 PolarHBondContact O-N 3.4Å; E528-Q532 WeakPolarHBondContact O-CB 3.23Å; E528-Q532 PolarHBondContact O-N 3.43Å
529	D	96	Very high	93.6	Very high	24 Å²	24	89.4 Å²	89.4	13%	0.128	43%	0.434	C	S	.	.	H	α-helix	trans	-60.4	-44.9	178.8	-72.7	-27	0	0	0	110.7	R525 I526 V531 Q532 W533 W570	R525-D529 IonicContact CZ-OD1 2.96Å; R525-D529 VanDerWaalsContact CZ-OD1 3.28Å; R525-D529 IonicContact NE-OD1 3.42Å; R525-D529 PolarHBondContact NE-OD1 2.85Å; R525-D529 IonicContact NE-OD2 3.47Å; R525-D529 PolarHBondContact NE-OD2 3.23Å; R525-D529 IonicContact NH2-OD1 3.74Å; R525-D529 PolarHBondContact NH2-OD1 3.46Å; R525-D529 IonicContact NH2-OD2 3.41Å; R525-D529 PolarHBondContact O-N 2.82Å; I526-D529 PolarHBondContact O-N 2.86Å; D529-V531 PolarHBondContact O-N 2.91Å; D529-Q532 PolarHBondContact O-N 3.4Å; D529-W533 HydrophobicContact CB-CH2 4.03Å; D529-W533 HydrophobicContact CB-CZ2 4.01Å; D529-W533 HydrophobicContact CB-CZ3 4.33Å; D529-W533 WeakPolarHBondContact O-CB 3.39Å; D529-W533 VanDerWaalsContact O-CD2 3.3Å; D529-W533 PolarHBondContact O-N 3.3Å; D529-W570 HydrophobicContact CB-CZ2 4.45Å; D529-W570 PolarHBondContact OD2-NE1 3.18Å
530	F	95.8	Very high	93.5	Very high	36 Å²	36	90.6 Å²	90.6	16%	0.158	43%	0.432	C	S	.	.	H	α-helix	trans	-60.3	-45.7	176.3	177.9	-119.8	0	0	0	113.2	I526 N527 E528 Q532 W533 R534 I541 F546	I526-F530 WeakPolarHBondContact O-CB 3.35Å; I526-F530 PolarHBondContact O-N 3.01Å; N527-F530 PolarHBondContact O-N 3.16Å; E528-F530 VanDerWaalsContact C-N 3.35Å; E528-F530 PolarHBondContact O-N 3.07Å; F530-Q532 VanDerWaalsContact C-N 3.29Å; F530-Q532 PolarHBondContact O-N 3.01Å; F530-W533 PolarHBondContact O-N 3.22Å; F530-R534 HydrophobicContact CD2-CG 4.4Å; F530-R534 HydrophobicContact CE2-CG 4.13Å; F530-R534 HydrophobicContact CZ-CG 4.22Å; F530-R534 VanDerWaalsContact CZ-CZ 3.44Å; F530-R534 VanDerWaalsContact CZ-NH2 3.34Å; F530-R534 WeakPolarHBondContact O-CB 3.43Å; F530-R534 WeakPolarHBondContact O-CG 3.24Å; F530-R534 PolarHBondContact O-N 2.9Å; F530-I541 HydrophobicContact CD2-CG2 3.91Å; F530-I541 HydrophobicContact CE2-CG2 4.07Å; F530-F546 HydrophobicContact CB-CD2 4.24Å; F530-F546 HydrophobicContact CB-CE1 4.23Å; F530-F546 HydrophobicContact CB-CE2 3.7Å; F530-F546 HydrophobicContact CB-CZ 3.68Å; F530-F546 HydrophobicContact CD1-CE1 4.35Å; F530-F546 HydrophobicContact CD2-CB 3.93Å; F530-F546 AromaticContact CD2-CD1 3.75Å; F530-F546 HydrophobicContact CD2-CD1 3.75Å; F530-F546 AromaticContact CD2-CD2 3.58Å; F530-F546 HydrophobicContact CD2-CD2 3.58Å; F530-F546 HydrophobicContact CD2-CE1 4.08Å; F530-F546 AromaticContact CD2-CE2 3.94Å; F530-F546 HydrophobicContact CD2-CE2 3.94Å; F530-F546 AromaticContact CD2-CG 3.46Å; F530-F546 HydrophobicContact CD2-CG 3.46Å; F530-F546 VanDerWaalsContact CD2-CG 3.46Å; F530-F546 HydrophobicContact CD2-CZ 4.15Å; F530-F546 HydrophobicContact CE2-CB 3.7Å; F530-F546 AromaticContact CE2-CD1 3.83Å; F530-F546 HydrophobicContact CE2-CD1 3.83Å; F530-F546 HydrophobicContact CE2-CD2 4.24Å; F530-F546 HydrophobicContact CE2-CE1 4.49Å; F530-F546 AromaticContact CE2-CG 3.66Å; F530-F546 HydrophobicContact CE2-CG 3.66Å; F530-F546 HydrophobicContact CG-CD1 4.11Å; F530-F546 HydrophobicContact CG-CD2 4.18Å; F530-F546 AromaticContact CG-CE1 3.98Å; F530-F546 HydrophobicContact CG-CE1 3.98Å; F530-F546 HydrophobicContact CG-CE2 4.05Å; F530-F546 HydrophobicContact CG-CG 4.19Å; F530-F546 AromaticContact CG-CZ 3.93Å; F530-F546 HydrophobicContact CG-CZ 3.93Å; F530-F546 HydrophobicContact CZ-CD1 4.24Å; F530-F546 HydrophobicContact CZ-CG 4.5Å
531	V	94.8	Very high	93.5	Very high	65 Å²	65	86.3 Å²	86.3	39%	0.394	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-38.9	176.9	170.2	0	0	0	0	110.8	N527 E528 D529 R534 R535	N527-V531 WeakPolarHBondContact O-CB 3.4Å; N527-V531 VanDerWaalsContact O-CG2 3.28Å; N527-V531 WeakPolarHBondContact O-CG2 3.49Å; N527-V531 PolarHBondContact O-N 2.85Å; E528-V531 PolarHBondContact O-N 3.4Å; D529-V531 PolarHBondContact O-N 2.91Å; V531-R534 PolarHBondContact O-N 3.15Å; V531-R535 WeakPolarHBondContact O-CG 3.38Å; V531-R535 PolarHBondContact O-N 3.2Å
532	Q	94.8	Very high	93.4	Very high	108 Å²	108	83.7 Å²	83.7	51%	0.505	39%	0.39	S	S	.	.	H	α-helix	trans	-65.8	-47.1	178.5	-176.4	60.6	17.7	0	0	111.4	E528 D529 F530 R534 R535 D536	E528-Q532 WeakPolarHBondContact O-CB 3.23Å; E528-Q532 PolarHBondContact O-N 3.43Å; D529-Q532 PolarHBondContact O-N 3.4Å; F530-Q532 VanDerWaalsContact C-N 3.29Å; F530-Q532 PolarHBondContact O-N 3.01Å; Q532-R534 VanDerWaalsContact C-N 3.32Å; Q532-R534 PolarHBondContact O-N 3.45Å; Q532-R535 PolarHBondContact O-N 3.5Å; Q532-R535 VanDerWaalsContact O-N 3.11Å; Q532-D536 PolarHBondContact O-N 3.35Å
533	W	95.7	Very high	93.2	Very high	39 Å²	39	84 Å²	84	15%	0.148	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-37.5	176.2	-65.9	-24.8	0	0	0	112.5	D529 F530 R535 D536 T539 Y540 I541 F546 M549 W570 V574	D529-W533 HydrophobicContact CB-CH2 4.03Å; D529-W533 HydrophobicContact CB-CZ2 4.01Å; D529-W533 HydrophobicContact CB-CZ3 4.33Å; D529-W533 WeakPolarHBondContact O-CB 3.39Å; D529-W533 VanDerWaalsContact O-CD2 3.3Å; D529-W533 PolarHBondContact O-N 3.3Å; F530-W533 PolarHBondContact O-N 3.22Å; W533-R535 PolarHBondContact O-N 3.35Å; W533-D536 PolarHBondContact O-N 3.03Å; W533-D536 VanDerWaalsContact O-O 3.09Å; W533-T539 WeakPolarHBondContact CB-O 3.23Å; W533-Y540 VanDerWaalsContact O-CA 3.31Å; W533-Y540 WeakPolarHBondContact O-CA 3Å; W533-I541 HydrophobicContact CB-CG2 3.9Å; W533-I541 HydrophobicContact CE3-CG2 4.1Å; W533-F546 HydrophobicContact CZ3-CD2 4.49Å; W533-F546 HydrophobicContact CZ3-CE2 4.47Å; W533-M549 HydrophobicContact CH2-CE 4.2Å; W533-M549 HydrophobicContact CZ3-CE 4.24Å; W533-M549 HydrophobicContact CZ3-SD 4.39Å; W533-W570 HydrophobicContact CH2-CH2 4.05Å; W533-W570 AromaticContact CH2-CZ2 3.47Å; W533-W570 HydrophobicContact CH2-CZ2 3.47Å; W533-W570 VanDerWaalsContact CH2-CZ2 3.47Å; W533-W570 HydrophobicContact CZ3-CH2 4.04Å; W533-W570 AromaticContact CZ3-CZ2 3.74Å; W533-W570 HydrophobicContact CZ3-CZ2 3.74Å; W533-V574 HydrophobicContact CH2-CB 4.49Å; W533-V574 HydrophobicContact CH2-CG1 4.09Å; W533-V574 HydrophobicContact CH2-CG2 3.57Å; W533-V574 HydrophobicContact CZ2-CG1 3.74Å; W533-V574 HydrophobicContact CZ2-CG2 4Å
534	R	93.5	Very high	93	Very high	101 Å²	101	83.9 Å²	83.9	38%	0.381	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-25.6	174.1	-80.9	-81.4	-174.8	100.2	-4.3	113.9	F530 V531 Q532 I541	F530-R534 HydrophobicContact CD2-CG 4.4Å; F530-R534 HydrophobicContact CE2-CG 4.13Å; F530-R534 HydrophobicContact CZ-CG 4.22Å; F530-R534 VanDerWaalsContact CZ-CZ 3.44Å; F530-R534 VanDerWaalsContact CZ-NH2 3.34Å; F530-R534 WeakPolarHBondContact O-CB 3.43Å; F530-R534 WeakPolarHBondContact O-CG 3.24Å; F530-R534 PolarHBondContact O-N 2.9Å; V531-R534 PolarHBondContact O-N 3.15Å; Q532-R534 VanDerWaalsContact C-N 3.32Å; Q532-R534 PolarHBondContact O-N 3.45Å; R534-I541 PolarHBondContact NE-O 3.28Å
535	R	93	Very high	92.9	Very high	189 Å²	189	81.1 Å²	81.1	71%	0.713	38%	0.383	S	S	*	.	H	α-helix	trans	-86.6	-33.3	-178.6	-72	172.3	179.3	-180	2	112.9	V531 Q532 W533	V531-R535 WeakPolarHBondContact O-CG 3.38Å; V531-R535 PolarHBondContact O-N 3.2Å; Q532-R535 PolarHBondContact O-N 3.5Å; Q532-R535 VanDerWaalsContact O-N 3.11Å; W533-R535 PolarHBondContact O-N 3.35Å
536	D	89.4	Confident	92.9	Very high	60 Å²	60	76.7 Å²	76.7	32%	0.321	37%	0.367	S	S	.	.			trans	-92.6	124.5	-177.2	173.2	23.5	0	0	0	111.2	Q532 W533 S538 T539 Y540	Q532-D536 PolarHBondContact O-N 3.35Å; W533-D536 PolarHBondContact O-N 3.03Å; W533-D536 VanDerWaalsContact O-O 3.09Å; D536-S538 PolarHBondContact O-N 2.9Å; D536-S538 PolarHBondContact OD1-N 3.49Å; D536-S538 PolarHBondContact OD1-OG 2.95Å; D536-S538 PolarHBondContact OD2-OG 3.4Å; D536-T539 WeakPolarHBondContact CB-OG1 3.39Å; D536-T539 PolarHBondContact O-N 3.42Å; D536-T539 PolarHBondContact OD2-OG1 2.96Å; D536-Y540 PolarHBondContact O-N 3.24Å
537	K	86.3	Confident	92.7	Very high	203 Å²	203	77 Å²	77	88%	0.883	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.9	178.1	-68.7	-175.3	178.3	-178.2	0	112.6
538	S	86	Confident	92.7	Very high	101 Å²	101	74.1 Å²	74.1	71%	0.706	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.7	-175.9	84.6	0	0	0	0	113.2	D536	D536-S538 PolarHBondContact O-N 2.9Å; D536-S538 PolarHBondContact OD1-N 3.49Å; D536-S538 PolarHBondContact OD1-OG 2.95Å; D536-S538 PolarHBondContact OD2-OG 3.4Å
539	T	88	Confident	92.8	Very high	59 Å²	59	69.6 Å²	69.6	36%	0.362	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	11.4	-177.9	51.6	0	0	0	0	113	W533 D536 I541	W533-T539 WeakPolarHBondContact CB-O 3.23Å; D536-T539 WeakPolarHBondContact CB-OG1 3.39Å; D536-T539 PolarHBondContact O-N 3.42Å; D536-T539 PolarHBondContact OD2-OG1 2.96Å; T539-I541 PolarHBondContact O-N 2.94Å
540	Y	91.2	Very high	92.7	Very high	123 Å²	123	71.2 Å²	71.2	48%	0.482	34%	0.342	S	S	.	.			trans	-53.2	133.2	-176.6	-174.9	-91.7	0	0	0	112.6	W533 D536 E542	W533-Y540 VanDerWaalsContact O-CA 3.31Å; W533-Y540 WeakPolarHBondContact O-CA 3Å; D536-Y540 PolarHBondContact O-N 3.24Å; Y540-E542 HydrophobicContact CE1-CG 4.02Å
541	I	93.1	Very high	92.7	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	34%	0.336	C	S	.	.			trans	-133.1	135.7	-179.6	-167	169.8	0	0	0	110.8	F530 W533 R534 T539 E545 F546 M549	F530-I541 HydrophobicContact CD2-CG2 3.91Å; F530-I541 HydrophobicContact CE2-CG2 4.07Å; W533-I541 HydrophobicContact CB-CG2 3.9Å; W533-I541 HydrophobicContact CE3-CG2 4.1Å; R534-I541 PolarHBondContact NE-O 3.28Å; T539-I541 PolarHBondContact O-N 2.94Å; I541-E545 HydrophobicContact CD1-CB 4.08Å; I541-E545 HydrophobicContact CG1-CB 3.61Å; I541-E545 WeakPolarHBondContact CG1-OE2 3.43Å; I541-F546 HydrophobicContact CD1-CB 4.1Å; I541-F546 HydrophobicContact CG1-CB 4.36Å; I541-M549 HydrophobicContact CD1-CG 4.41Å; I541-M549 HydrophobicContact CD1-SD 3.37Å; I541-M549 WeakPolarHBondContact CD1-SD 3.47Å
542	E	92	Very high	92.9	Very high	112 Å²	112	66.7 Å²	66.7	52%	0.523	32%	0.317	S	S	.	.			trans	-76.8	161.3	175.2	-65.3	-172.1	167.5	0	0	111.4	Y540 D544 E545 F546	Y540-E542 HydrophobicContact CE1-CG 4.02Å; E542-D544 VanDerWaalsContact C-N 3.28Å; E542-D544 PolarHBondContact O-N 3.17Å; E542-E545 HydrophobicContact CB-CG 4.29Å; E542-E545 PolarHBondContact O-N 3.38Å; E542-F546 WeakPolarHBondContact O-CB 3.48Å; E542-F546 PolarHBondContact O-N 3.48Å
543	A	92.4	Very high	93	Very high	19 Å²	19	61.5 Å²	61.5	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-38.5	179.5	0	0	0	0	0	112.1	Y319 F546 A547	Y319-A543 HydrophobicContact CD1-CB 3.89Å; Y319-A543 HydrophobicContact CE1-CB 3.37Å; A543-F546 PolarHBondContact O-N 3.31Å; A543-A547 PolarHBondContact O-N 3.29Å
544	D	92.1	Very high	93	Very high	83 Å²	83	61.7 Å²	61.7	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-70.3	-42.2	-179.2	-64.7	-5.5	0	0	0	111.4	P320 E542 F546 A547 I548	P320-D544 HydrophobicContact CG-CB 4Å; E542-D544 VanDerWaalsContact C-N 3.28Å; E542-D544 PolarHBondContact O-N 3.17Å; D544-F546 VanDerWaalsContact C-N 3.3Å; D544-F546 PolarHBondContact O-N 3.35Å; D544-A547 PolarHBondContact O-N 3.05Å; D544-I548 WeakPolarHBondContact O-CG1 2.92Å; D544-I548 PolarHBondContact O-N 3.27Å
545	E	92.7	Very high	93.1	Very high	70 Å²	70	56.9 Å²	56.9	33%	0.327	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-42.9	172.6	-68.4	-166.9	151.3	0	0	111.4	I541 E542 I548 M549 K581	I541-E545 HydrophobicContact CD1-CB 4.08Å; I541-E545 HydrophobicContact CG1-CB 3.61Å; I541-E545 WeakPolarHBondContact CG1-OE2 3.43Å; E542-E545 HydrophobicContact CB-CG 4.29Å; E542-E545 PolarHBondContact O-N 3.38Å; E545-I548 WeakPolarHBondContact O-CB 3.32Å; E545-I548 PolarHBondContact O-N 3.47Å; E545-M549 PolarHBondContact O-N 2.69Å; E545-K581 IonicContact OE1-NZ 2.8Å; E545-K581 IonicContact OE2-NZ 3.28Å; E545-K581 PolarHBondContact OE2-NZ 3.07Å
546	F	95.4	Very high	93.3	Very high	19 Å²	19	49.3 Å²	49.3	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-41.2	177.2	-179.8	-110.7	0	0	0	112.1	I526 F530 W533 I541 E542 A543 D544 I548 M549 L550 W570	I526-F546 HydrophobicContact CG2-CE2 4.02Å; I526-F546 HydrophobicContact CG2-CZ 3.51Å; F530-F546 HydrophobicContact CB-CD2 4.24Å; F530-F546 HydrophobicContact CB-CE1 4.23Å; F530-F546 HydrophobicContact CB-CE2 3.7Å; F530-F546 HydrophobicContact CB-CZ 3.68Å; F530-F546 HydrophobicContact CD1-CE1 4.35Å; F530-F546 HydrophobicContact CD2-CB 3.93Å; F530-F546 AromaticContact CD2-CD1 3.75Å; F530-F546 HydrophobicContact CD2-CD1 3.75Å; F530-F546 AromaticContact CD2-CD2 3.58Å; F530-F546 HydrophobicContact CD2-CD2 3.58Å; F530-F546 HydrophobicContact CD2-CE1 4.08Å; F530-F546 AromaticContact CD2-CE2 3.94Å; F530-F546 HydrophobicContact CD2-CE2 3.94Å; F530-F546 AromaticContact CD2-CG 3.46Å; F530-F546 HydrophobicContact CD2-CG 3.46Å; F530-F546 VanDerWaalsContact CD2-CG 3.46Å; F530-F546 HydrophobicContact CD2-CZ 4.15Å; F530-F546 HydrophobicContact CE2-CB 3.7Å; F530-F546 AromaticContact CE2-CD1 3.83Å; F530-F546 HydrophobicContact CE2-CD1 3.83Å; F530-F546 HydrophobicContact CE2-CD2 4.24Å; F530-F546 HydrophobicContact CE2-CE1 4.49Å; F530-F546 AromaticContact CE2-CG 3.66Å; F530-F546 HydrophobicContact CE2-CG 3.66Å; F530-F546 HydrophobicContact CG-CD1 4.11Å; F530-F546 HydrophobicContact CG-CD2 4.18Å; F530-F546 AromaticContact CG-CE1 3.98Å; F530-F546 HydrophobicContact CG-CE1 3.98Å; F530-F546 HydrophobicContact CG-CE2 4.05Å; F530-F546 HydrophobicContact CG-CG 4.19Å; F530-F546 AromaticContact CG-CZ 3.93Å; F530-F546 HydrophobicContact CG-CZ 3.93Å; F530-F546 HydrophobicContact CZ-CD1 4.24Å; F530-F546 HydrophobicContact CZ-CG 4.5Å; W533-F546 HydrophobicContact CZ3-CD2 4.49Å; W533-F546 HydrophobicContact CZ3-CE2 4.47Å; I541-F546 HydrophobicContact CD1-CB 4.1Å; I541-F546 HydrophobicContact CG1-CB 4.36Å; E542-F546 WeakPolarHBondContact O-CB 3.48Å; E542-F546 PolarHBondContact O-N 3.48Å; A543-F546 PolarHBondContact O-N 3.31Å; D544-F546 VanDerWaalsContact C-N 3.3Å; D544-F546 PolarHBondContact O-N 3.35Å; F546-I548 VanDerWaalsContact C-N 3.31Å; F546-I548 PolarHBondContact O-N 3.47Å; F546-M549 WeakPolarHBondContact O-CB 3.48Å; F546-M549 PolarHBondContact O-N 3.34Å; F546-M549 VanDerWaalsContact O-N 3.08Å; F546-L550 HydrophobicContact CD1-CD1 4.28Å; F546-L550 HydrophobicContact CE1-CD1 3.88Å; F546-L550 HydrophobicContact CE1-CD2 4.38Å; F546-L550 HydrophobicContact CE1-CG 4.26Å; F546-L550 HydrophobicContact CE2-CD2 4.43Å; F546-L550 HydrophobicContact CZ-CD1 4.39Å; F546-L550 HydrophobicContact CZ-CD2 4.07Å; F546-L550 HydrophobicContact CZ-CG 4.39Å; F546-L550 WeakPolarHBondContact O-CG 3.47Å; F546-L550 PolarHBondContact O-N 2.82Å; F546-W570 AromaticContact CE2-CH2 3.95Å; F546-W570 HydrophobicContact CE2-CH2 3.95Å; F546-W570 HydrophobicContact CE2-CZ2 4.4Å
547	A	94.3	Very high	93.6	Very high	10 Å²	10	46.4 Å²	46.4	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-39.5	174.8	0	0	0	0	0	112.1	P320 A543 D544 M549 L550 C551	P320-A547 HydrophobicContact CB-CB 4.25Å; P320-A547 HydrophobicContact CG-CB 4.31Å; A543-A547 PolarHBondContact O-N 3.29Å; D544-A547 PolarHBondContact O-N 3.05Å; A547-M549 VanDerWaalsContact C-N 3.32Å; A547-M549 PolarHBondContact O-N 3.34Å; A547-L550 WeakPolarHBondContact O-CB 3.43Å; A547-L550 PolarHBondContact O-N 2.89Å; A547-L550 VanDerWaalsContact O-N 3.16Å; A547-C551 PolarHBondContact O-N 3.11Å
548	I	95	Very high	94	Very high	32 Å²	32	36.9 Å²	36.9	16%	0.164	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-41.5	172.7	-65.9	164.6	0	0	0	110.7	P320 L323 P324 L474 D544 E545 F546 L550 C551 L552	P320-I548 HydrophobicContact CB-CG1 4.32Å; L323-I548 HydrophobicContact CD2-CG2 4.15Å; P324-I548 HydrophobicContact CG-CD1 3.97Å; L474-I548 HydrophobicContact CD1-CG2 4.47Å; D544-I548 WeakPolarHBondContact O-CG1 2.92Å; D544-I548 PolarHBondContact O-N 3.27Å; E545-I548 WeakPolarHBondContact O-CB 3.32Å; E545-I548 PolarHBondContact O-N 3.47Å; F546-I548 VanDerWaalsContact C-N 3.31Å; F546-I548 PolarHBondContact O-N 3.47Å; I548-L550 VanDerWaalsContact C-N 3.31Å; I548-L550 PolarHBondContact O-N 3.18Å; I548-C551 WeakPolarHBondContact O-CB 3.4Å; I548-C551 PolarHBondContact O-N 3Å; I548-L552 HydrophobicContact CG2-CD1 4.26Å; I548-L552 HydrophobicContact CG2-CG 4.44Å; I548-L552 WeakPolarHBondContact O-CG 3.46Å; I548-L552 PolarHBondContact O-N 2.91Å
549	M	96.6	Very high	94.4	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-36.9	174.8	-68.7	-176.7	70.2	0	0	112.8	W533 I541 E545 F546 A547 L552 L553 W570 I573 V574 E577	W533-M549 HydrophobicContact CH2-CE 4.2Å; W533-M549 HydrophobicContact CZ3-CE 4.24Å; W533-M549 HydrophobicContact CZ3-SD 4.39Å; I541-M549 HydrophobicContact CD1-CG 4.41Å; I541-M549 HydrophobicContact CD1-SD 3.37Å; I541-M549 WeakPolarHBondContact CD1-SD 3.47Å; E545-M549 PolarHBondContact O-N 2.69Å; F546-M549 WeakPolarHBondContact O-CB 3.48Å; F546-M549 PolarHBondContact O-N 3.34Å; F546-M549 VanDerWaalsContact O-N 3.08Å; A547-M549 VanDerWaalsContact C-N 3.32Å; A547-M549 PolarHBondContact O-N 3.34Å; M549-L552 PolarHBondContact O-N 3.06Å; M549-L553 WeakPolarHBondContact O-CB 3.41Å; M549-L553 PolarHBondContact O-N 3.4Å; M549-W570 HydrophobicContact CB-CZ3 4.35Å; M549-W570 HydrophobicContact CE-CH2 3.92Å; M549-W570 HydrophobicContact CE-CZ3 4.16Å; M549-I573 HydrophobicContact CE-CG2 4.2Å; M549-V574 HydrophobicContact CE-CG2 4.04Å; M549-E577 HydrophobicContact CE-CB 4.11Å; M549-E577 HydrophobicContact CE-CG 4.17Å; M549-E577 HydrophobicContact CG-CG 4.27Å; M549-E577 HydrophobicContact SD-CG 4.01Å
550	L	95.8	Very high	94.6	Very high	57 Å²	57	30 Å²	30	30%	0.298	14%	0.144	S	C	.	.	H	α-helix	trans	-66.9	-38.7	174.7	-60.3	179.6	0	0	0	111.8	I526 F546 A547 I548 L553 R554	I526-L550 HydrophobicContact CG2-CD2 3.88Å; F546-L550 HydrophobicContact CD1-CD1 4.28Å; F546-L550 HydrophobicContact CE1-CD1 3.88Å; F546-L550 HydrophobicContact CE1-CD2 4.38Å; F546-L550 HydrophobicContact CE1-CG 4.26Å; F546-L550 HydrophobicContact CE2-CD2 4.43Å; F546-L550 HydrophobicContact CZ-CD1 4.39Å; F546-L550 HydrophobicContact CZ-CD2 4.07Å; F546-L550 HydrophobicContact CZ-CG 4.39Å; F546-L550 WeakPolarHBondContact O-CG 3.47Å; F546-L550 PolarHBondContact O-N 2.82Å; A547-L550 WeakPolarHBondContact O-CB 3.43Å; A547-L550 PolarHBondContact O-N 2.89Å; A547-L550 VanDerWaalsContact O-N 3.16Å; I548-L550 VanDerWaalsContact C-N 3.31Å; I548-L550 PolarHBondContact O-N 3.18Å; L550-L553 PolarHBondContact O-N 3.16Å; L550-R554 WeakPolarHBondContact O-CB 3.35Å; L550-R554 PolarHBondContact O-N 2.64Å
551	C	95.7	Very high	94.6	Very high	5 Å²	5	25 Å²	25	3%	0.034	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-46.5	170.6	-71.8	0	0	0	0	111.2	L323 A547 I548 L553 R554 F555	L323-C551 HydrophobicContact CD2-CB 3.66Å; A547-C551 PolarHBondContact O-N 3.11Å; I548-C551 WeakPolarHBondContact O-CB 3.4Å; I548-C551 PolarHBondContact O-N 3Å; C551-L553 PolarHBondContact O-N 2.81Å; C551-R554 WeakPolarHBondContact O-CB 3.32Å; C551-R554 PolarHBondContact O-N 3.27Å; C551-F555 HydrophobicContact CB-CD2 4.42Å; C551-F555 HydrophobicContact CB-CE2 3.97Å; C551-F555 WeakPolarHBondContact O-CD2 3.26Å; C551-F555 WeakPolarHBondContact O-CG 3.5Å; C551-F555 PolarHBondContact O-N 2.96Å
552	L	97.5	Very high	94.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-45.3	176.7	-69.5	169.9	0	0	0	111.9	Y303 L306 L323 I548 M549 R554 F555 Y556 I573	Y303-L552 HydrophobicContact CD1-CD2 4.23Å; Y303-L552 HydrophobicContact CE1-CD1 3.98Å; Y303-L552 HydrophobicContact CE1-CD2 4.06Å; L306-L552 HydrophobicContact CB-CD2 4.39Å; L306-L552 HydrophobicContact CD1-CD2 3.8Å; L323-L552 HydrophobicContact CD1-CD2 4.04Å; L323-L552 HydrophobicContact CD2-CD2 3.79Å; L323-L552 HydrophobicContact CD2-CG 3.93Å; I548-L552 HydrophobicContact CG2-CD1 4.26Å; I548-L552 HydrophobicContact CG2-CG 4.44Å; I548-L552 WeakPolarHBondContact O-CG 3.46Å; I548-L552 PolarHBondContact O-N 2.91Å; M549-L552 PolarHBondContact O-N 3.06Å; L552-R554 VanDerWaalsContact C-N 3.32Å; L552-R554 PolarHBondContact O-N 3.38Å; L552-F555 PolarHBondContact O-N 2.83Å; L552-Y556 WeakPolarHBondContact O-CB 3.44Å; L552-Y556 PolarHBondContact O-N 2.82Å; L552-I573 HydrophobicContact CB-CD1 4.18Å; L552-I573 HydrophobicContact CB-CG2 4.21Å
553	L	97.5	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-45	175	176.1	62.6	0	0	0	112	M518 I526 M549 L550 C551 Y556 C557 P565 H569 W570 I573	M518-L553 HydrophobicContact CE-CD2 3.75Å; I526-L553 HydrophobicContact CD1-CD2 3.7Å; M549-L553 WeakPolarHBondContact O-CB 3.41Å; M549-L553 PolarHBondContact O-N 3.4Å; L550-L553 PolarHBondContact O-N 3.16Å; C551-L553 PolarHBondContact O-N 2.81Å; L553-Y556 PolarHBondContact O-N 3.13Å; L553-C557 VanDerWaalsContact O-CB 3.28Å; L553-C557 WeakPolarHBondContact O-CB 3.34Å; L553-C557 PolarHBondContact O-N 3.5Å; L553-P565 HydrophobicContact CD1-CB 3.81Å; L553-P565 HydrophobicContact CD2-CB 4.22Å; L553-P565 HydrophobicContact CD2-CG 4.19Å; L553-P565 HydrophobicContact CG-CB 3.99Å; L553-P565 HydrophobicContact CG-CG 4.31Å; L553-H569 HydrophobicContact CD1-CB 3.82Å; L553-W570 HydrophobicContact CB-CE3 4.5Å; L553-W570 HydrophobicContact CD1-CB 4.37Å; L553-W570 HydrophobicContact CD2-CE3 3.89Å; L553-I573 HydrophobicContact CB-CG1 4.26Å; L553-I573 HydrophobicContact CD1-CG1 4.26Å
554	R	95.9	Very high	94.4	Very high	43 Å²	43	27.5 Å²	27.5	16%	0.162	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-53.6	177.4	180	167.1	-171.4	138.9	-4.5	111.1	N513 Y516 L550 C551 L552 Y556 C557 L558	N513-R554 PolarHBondContact O-NH2 2.8Å; N513-R554 PolarHBondContact OD1-NE 3.33Å; N513-R554 PolarHBondContact OD1-NH2 3.31Å; Y516-R554 HydrophobicContact CD1-CG 3.91Å; Y516-R554 HydrophobicContact CD2-CB 4.4Å; Y516-R554 HydrophobicContact CD2-CG 3.73Å; Y516-R554 HydrophobicContact CE1-CB 4.17Å; Y516-R554 HydrophobicContact CE1-CG 3.94Å; Y516-R554 HydrophobicContact CE2-CB 3.91Å; Y516-R554 HydrophobicContact CE2-CG 3.75Å; Y516-R554 HydrophobicContact CG-CG 3.77Å; L550-R554 WeakPolarHBondContact O-CB 3.35Å; L550-R554 PolarHBondContact O-N 2.64Å; C551-R554 WeakPolarHBondContact O-CB 3.32Å; C551-R554 PolarHBondContact O-N 3.27Å; L552-R554 VanDerWaalsContact C-N 3.32Å; L552-R554 PolarHBondContact O-N 3.38Å; R554-Y556 VanDerWaalsContact C-N 3.35Å; R554-Y556 PolarHBondContact O-N 2.7Å; R554-C557 WeakPolarHBondContact O-CB 3.49Å; R554-C557 PolarHBondContact O-N 2.93Å; R554-L558 WeakPolarHBondContact O-CG 3.32Å; R554-L558 PolarHBondContact O-N 2.88Å
555	F	96.3	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-39.2	-179.9	-63.1	-48.4	0	0	0	112.3	L306 V309 T311 L313 L323 C551 L552 L558 T559	L306-F555 HydrophobicContact CD2-CB 4.19Å; V309-F555 HydrophobicContact CG2-CB 3.93Å; V309-F555 HydrophobicContact CG2-CG 4.44Å; T311-F555 VanDerWaalsContact O-CZ 3.32Å; T311-F555 WeakPolarHBondContact O-CZ 3.44Å; L313-F555 HydrophobicContact CD2-CE1 4.4Å; L313-F555 HydrophobicContact CD2-CZ 4.17Å; L323-F555 HydrophobicContact CD1-CD2 3.92Å; L323-F555 HydrophobicContact CD1-CE2 4.22Å; L323-F555 HydrophobicContact CD2-CD2 4.3Å; L323-F555 HydrophobicContact CD2-CE2 4.28Å; L323-F555 HydrophobicContact CG-CD2 3.95Å; L323-F555 HydrophobicContact CG-CE2 3.79Å; C551-F555 HydrophobicContact CB-CD2 4.42Å; C551-F555 HydrophobicContact CB-CE2 3.97Å; C551-F555 WeakPolarHBondContact O-CD2 3.26Å; C551-F555 WeakPolarHBondContact O-CG 3.5Å; C551-F555 PolarHBondContact O-N 2.96Å; L552-F555 PolarHBondContact O-N 2.83Å; F555-L558 HydrophobicContact CD1-CD1 4.33Å; F555-L558 WeakPolarHBondContact O-CB 3.3Å; F555-L558 PolarHBondContact O-N 2.97Å; F555-T559 VanDerWaalsContact O-CG2 3.28Å; F555-T559 WeakPolarHBondContact O-CG2 3.06Å; F555-T559 PolarHBondContact O-N 3.14Å
556	Y	97.2	Very high	94.8	Very high	29 Å²	29	23.2 Å²	23.2	11%	0.114	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-47	176.1	178.4	-101.8	0	0	0	112	R283 E302 L306 L552 L553 R554 L558 T559 C560 H569 H572 I573	R283-Y556 VanDerWaalsContact NH2-CE2 3.3Å; E302-Y556 VanDerWaalsContact OE1-CE2 3.24Å; E302-Y556 WeakPolarHBondContact OE1-CE2 3.27Å; L306-Y556 VanDerWaalsContact CD2-CA 3.47Å; L306-Y556 HydrophobicContact CD2-CD2 4.35Å; L552-Y556 WeakPolarHBondContact O-CB 3.44Å; L552-Y556 PolarHBondContact O-N 2.82Å; L553-Y556 PolarHBondContact O-N 3.13Å; R554-Y556 VanDerWaalsContact C-N 3.35Å; R554-Y556 PolarHBondContact O-N 2.7Å; Y556-L558 VanDerWaalsContact C-N 3.28Å; Y556-L558 PolarHBondContact O-N 3.16Å; Y556-T559 WeakPolarHBondContact O-CB 3.34Å; Y556-T559 PolarHBondContact O-N 2.75Å; Y556-T559 PolarHBondContact O-OG1 3.48Å; Y556-C560 PolarHBondContact O-N 3.26Å; Y556-C560 VanDerWaalsContact O-N 3.15Å; Y556-C560 PolarHBondContact O-SG 3.06Å; Y556-H569 HydrophobicContact CD1-CB 3.95Å; Y556-H569 AromaticContact CD1-CD2 3.78Å; Y556-H569 HydrophobicContact CE1-CB 3.92Å; Y556-H569 AromaticContact CE1-CD2 3.42Å; Y556-H569 VanDerWaalsContact CE1-CD2 3.42Å; Y556-H569 WeakPolarHBondContact CE1-CD2 3.48Å; Y556-H572 AromaticContact CD2-CD2 3.86Å; Y556-H572 HydrophobicContact CE1-CB 4.27Å; Y556-H572 AromaticContact CE1-CD2 3.82Å; Y556-H572 AromaticContact CE2-CD2 3.22Å; Y556-H572 WeakPolarHBondContact CE2-CD2 3.27Å; Y556-H572 AromaticContact CE2-NE2 3.44Å; Y556-H572 WeakPolarHBondContact CE2-NE2 3.49Å; Y556-H572 AromaticContact CZ-CD2 3.21Å; Y556-H572 AromaticContact CZ-CG 3.75Å; Y556-H572 AromaticContact CZ-NE2 3.77Å; Y556-H572 PolarHBondContact OH-CD2 3.14Å; Y556-I573 HydrophobicContact CD1-CD1 4.49Å; Y556-I573 HydrophobicContact CD2-CD1 4.42Å; Y556-I573 HydrophobicContact CG-CD1 4.01Å; Y556-I573 HydrophobicContact CG-CG1 4.49Å
557	C	95.2	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.1	-45.5	172.9	178.4	0	0	0	0	111.9	Y516 L553 R554 T559 C560 G561 L562 S564 P565	Y516-C557 HydrophobicContact CE2-CB 4.04Å; L553-C557 VanDerWaalsContact O-CB 3.28Å; L553-C557 WeakPolarHBondContact O-CB 3.34Å; L553-C557 PolarHBondContact O-N 3.5Å; R554-C557 WeakPolarHBondContact O-CB 3.49Å; R554-C557 PolarHBondContact O-N 2.93Å; C557-T559 VanDerWaalsContact C-N 3.34Å; C557-T559 PolarHBondContact O-N 2.69Å; C557-C560 WeakPolarHBondContact O-CB 3.42Å; C557-C560 PolarHBondContact O-N 3.46Å; C557-C560 VanDerWaalsContact O-N 3.15Å; C557-G561 PolarHBondContact O-N 3.2Å; C557-L562 CarbonylContact C-O 3.56Å; C557-L562 PolarHBondContact O-N 3.06Å; C557-L562 VanDerWaalsContact O-N 3.14Å; C557-L562 PolarHBondContact SG-O 3.24Å; C557-S564 PolarHBondContact SG-O 2.93Å; C557-P565 HydrophobicContact CB-CB 4.12Å; C557-P565 VanDerWaalsContact SG-N 3.39Å
558	L	93.4	Very high	94.9	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-39.2	176.4	-63.7	178	0	0	0	111.6	L509 N513 R554 F555 Y556 C560 G561	L509-L558 WeakPolarHBondContact CD1-O 3.34Å; L509-L558 HydrophobicContact CD2-CB 4.41Å; L509-L558 WeakPolarHBondContact CD2-O 3.26Å; N513-L558 HydrophobicContact CB-CD1 4.43Å; R554-L558 WeakPolarHBondContact O-CG 3.32Å; R554-L558 PolarHBondContact O-N 2.88Å; F555-L558 HydrophobicContact CD1-CD1 4.33Å; F555-L558 WeakPolarHBondContact O-CB 3.3Å; F555-L558 PolarHBondContact O-N 2.97Å; Y556-L558 VanDerWaalsContact C-N 3.28Å; Y556-L558 PolarHBondContact O-N 3.16Å; L558-C560 PolarHBondContact O-N 3.43Å; L558-G561 WeakPolarHBondContact O-CA 3.38Å; L558-G561 PolarHBondContact O-N 2.99Å
559	T	94.9	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-32.5	175.1	72.4	0	0	0	0	113	R283 L305 L306 V309 Y505 F555 Y556 C557 G561	R283-T559 WeakPolarHBondContact CD-O 3.43Å; R283-T559 PolarHBondContact NE-OG1 3.15Å; R283-T559 VanDerWaalsContact NE-OG1 3.12Å; L305-T559 HydrophobicContact CD2-CG2 4.21Å; L305-T559 HydrophobicContact CG-CG2 4.11Å; L306-T559 HydrophobicContact CD2-CG2 3.96Å; V309-T559 HydrophobicContact CG1-CG2 4.35Å; V309-T559 HydrophobicContact CG2-CG2 3.91Å; Y505-T559 VanDerWaalsContact OH-CA 3.28Å; Y505-T559 WeakPolarHBondContact OH-CA 3.34Å; Y505-T559 VanDerWaalsContact OH-CB 3.24Å; Y505-T559 WeakPolarHBondContact OH-CB 3.4Å; Y505-T559 PolarHBondContact OH-O 3Å; Y505-T559 VanDerWaalsContact OH-O 3.11Å; F555-T559 VanDerWaalsContact O-CG2 3.28Å; F555-T559 WeakPolarHBondContact O-CG2 3.06Å; F555-T559 PolarHBondContact O-N 3.14Å; Y556-T559 WeakPolarHBondContact O-CB 3.34Å; Y556-T559 PolarHBondContact O-N 2.75Å; Y556-T559 PolarHBondContact O-OG1 3.48Å; C557-T559 VanDerWaalsContact C-N 3.34Å; C557-T559 PolarHBondContact O-N 2.69Å; T559-G561 PolarHBondContact O-N 3.46Å
560	C	93.2	Very high	95.1	Very high	14 Å²	14	33.2 Å²	33.2	10%	0.095	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.5	175	-61.7	0	0	0	0	113.3	Y556 C557 L558 L562	Y556-C560 PolarHBondContact O-N 3.26Å; Y556-C560 VanDerWaalsContact O-N 3.15Å; Y556-C560 PolarHBondContact O-SG 3.06Å; C557-C560 WeakPolarHBondContact O-CB 3.42Å; C557-C560 PolarHBondContact O-N 3.46Å; C557-C560 VanDerWaalsContact O-N 3.15Å; L558-C560 PolarHBondContact O-N 3.43Å; C560-L562 VanDerWaalsContact C-N 3.32Å; C560-L562 HydrophobicContact CB-CD1 4.24Å; C560-L562 HydrophobicContact CB-CG 4.23Å
561	G	89.6	Confident	95.2	Very high	20 Å²	20	33.5 Å²	33.5	21%	0.206	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	18.6	-176.9	0	0	0	0	0	114.1	C557 L558 T559	C557-G561 PolarHBondContact O-N 3.2Å; L558-G561 WeakPolarHBondContact O-CA 3.38Å; L558-G561 PolarHBondContact O-N 2.99Å; T559-G561 PolarHBondContact O-N 3.46Å
562	L	91.2	Very high	95.3	Very high	60 Å²	60	35.6 Å²	35.6	31%	0.314	19%	0.19	S	C	.	.			trans	-109.5	147.7	-176.4	-58.4	176.7	0	0	0	111	C557 C560 H569	C557-L562 CarbonylContact C-O 3.56Å; C557-L562 PolarHBondContact O-N 3.06Å; C557-L562 VanDerWaalsContact O-N 3.14Å; C557-L562 PolarHBondContact SG-O 3.24Å; C560-L562 VanDerWaalsContact C-N 3.32Å; C560-L562 HydrophobicContact CB-CD1 4.24Å; C560-L562 HydrophobicContact CB-CG 4.23Å; L562-H569 VanDerWaalsContact CD1-CE1 3.46Å; L562-H569 WeakPolarHBondContact CD1-CE1 3.35Å; L562-H569 WeakPolarHBondContact CD1-NE2 3.45Å
563	Q	90	Very high	95.3	Very high	89 Å²	89	35.6 Å²	35.6	42%	0.416	19%	0.19	S	C	.	.	S	Bend	trans	-98.2	-8.6	175.9	-68.5	178.6	-18.2	0	0	112.9	N515 Y516 S517	N515-Q563 HydrophobicContact CB-CG 4.34Å; Y516-Q563 VanDerWaalsContact CA-O 3.28Å; Y516-Q563 WeakPolarHBondContact CA-O 3.43Å; Y516-Q563 WeakPolarHBondContact CD2-O 3.41Å; S517-Q563 PolarHBondContact N-O 2.87Å
564	S	93	Very high	95.3	Very high	38 Å²	38	37.5 Å²	37.5	27%	0.266	20%	0.201	S	C	.	.	S	Bend	trans	-136.6	127.2	177.4	-58.8	0	0	0	0	110.6	S517 C557	S517-S564 VanDerWaalsContact O-CA 3.24Å; S517-S564 WeakPolarHBondContact O-CA 3.38Å; S517-S564 VanDerWaalsContact O-CB 3.28Å; S517-S564 WeakPolarHBondContact O-CB 3.48Å; S517-S564 PolarHBondContact O-OG 3.16Å; S517-S564 PolarHBondContact OG-OG 2.99Å; C557-S564 PolarHBondContact SG-O 2.93Å
565	P	96.4	Very high	95.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.013	22%	0.216	C	C	.	.			trans	-75.7	156.5	179.7	31.5	-34.4	0	0	0	110.6	Y516 M518 L522 L553 C557 H569	Y516-P565 HydrophobicContact CE2-CG 4.07Å; Y516-P565 WeakPolarHBondContact OH-CG 3.3Å; M518-P565 HydrophobicContact CE-CG 4.19Å; M518-P565 HydrophobicContact CG-CG 4.1Å; L522-P565 HydrophobicContact CD2-CB 3.92Å; L522-P565 HydrophobicContact CD2-CG 3.62Å; L522-P565 WeakPolarHBondContact CD2-O 3.36Å; L553-P565 HydrophobicContact CD1-CB 3.81Å; L553-P565 HydrophobicContact CD2-CB 4.22Å; L553-P565 HydrophobicContact CD2-CG 4.19Å; L553-P565 HydrophobicContact CG-CB 3.99Å; L553-P565 HydrophobicContact CG-CG 4.31Å; C557-P565 HydrophobicContact CB-CB 4.12Å; C557-P565 VanDerWaalsContact SG-N 3.39Å; P565-H569 HydrophobicContact CB-CB 4.31Å
566	T	95.9	Very high	95.5	Very high	61 Å²	61	40.5 Å²	40.5	37%	0.374	22%	0.217	S	C	.	.			trans	-112.2	173	171.5	75.7	0	0	0	0	110.6	E568 H569 W570	T566-E568 PolarHBondContact O-N 2.88Å; T566-E568 PolarHBondContact OG1-N 3.37Å; T566-H569 PolarHBondContact N-ND1 3.08Å; T566-H569 WeakPolarHBondContact O-CB 3.24Å; T566-H569 PolarHBondContact O-N 3.21Å; T566-H569 VanDerWaalsContact O-N 3.11Å; T566-H569 PolarHBondContact OG1-CE1 3.4Å; T566-H569 PolarHBondContact OG1-ND1 2.81Å; T566-W570 PolarHBondContact O-N 3.11Å; T566-W570 VanDerWaalsContact O-N 3.13Å
567	L	96.4	Very high	95.5	Very high	92 Å²	92	39.6 Å²	39.6	48%	0.482	21%	0.214	S	C	.	.	H	α-helix	trans	-58	-33	175.8	-175.1	60.8	0	0	0	113.4	L522 R525 W570 S571	L522-L567 HydrophobicContact CD1-CD1 4.28Å; R525-L567 HydrophobicContact CG-CD1 3.72Å; L567-W570 PolarHBondContact O-N 3.37Å; L567-S571 WeakPolarHBondContact O-CB 3.24Å; L567-S571 PolarHBondContact O-N 3.04Å; L567-S571 PolarHBondContact O-OG 3.46Å
568	E	96.8	Very high	95.5	Very high	158 Å²	158	42.9 Å²	42.9	74%	0.738	24%	0.237	S	C	*	.	H	α-helix	trans	-65.6	-42.1	176.5	-64.5	-178.7	169.7	0	0	111.1	T566 W570 S571 H572	T566-E568 PolarHBondContact O-N 2.88Å; T566-E568 PolarHBondContact OG1-N 3.37Å; E568-W570 VanDerWaalsContact C-N 3.34Å; E568-W570 PolarHBondContact O-N 3.12Å; E568-S571 PolarHBondContact O-N 3.39Å; E568-H572 PolarHBondContact O-N 2.87Å
569	H	97.5	Very high	95.6	Very high	23 Å²	23	47.1 Å²	47.1	11%	0.106	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-41.4	176.2	-58.4	92.5	0	0	0	111.4	L553 Y556 L562 P565 T566 H572 I573	L553-H569 HydrophobicContact CD1-CB 3.82Å; Y556-H569 HydrophobicContact CD1-CB 3.95Å; Y556-H569 AromaticContact CD1-CD2 3.78Å; Y556-H569 HydrophobicContact CE1-CB 3.92Å; Y556-H569 AromaticContact CE1-CD2 3.42Å; Y556-H569 VanDerWaalsContact CE1-CD2 3.42Å; Y556-H569 WeakPolarHBondContact CE1-CD2 3.48Å; L562-H569 VanDerWaalsContact CD1-CE1 3.46Å; L562-H569 WeakPolarHBondContact CD1-CE1 3.35Å; L562-H569 WeakPolarHBondContact CD1-NE2 3.45Å; P565-H569 HydrophobicContact CB-CB 4.31Å; T566-H569 PolarHBondContact N-ND1 3.08Å; T566-H569 WeakPolarHBondContact O-CB 3.24Å; T566-H569 PolarHBondContact O-N 3.21Å; T566-H569 VanDerWaalsContact O-N 3.11Å; T566-H569 PolarHBondContact OG1-CE1 3.4Å; T566-H569 PolarHBondContact OG1-ND1 2.81Å; H569-H572 PolarHBondContact O-N 2.75Å; H569-I573 PolarHBondContact O-N 3.04Å
570	W	97.9	Very high	95.6	Very high	2 Å²	2	48 Å²	48	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-49.2	174.5	174.6	-122.5	0	0	0	111.6	L522 I526 D529 W533 F546 M549 L553 T566 L567 E568 H572 I573 V574	L522-W570 HydrophobicContact CD1-CB 4.12Å; I526-W570 HydrophobicContact CD1-CD2 4.09Å; I526-W570 HydrophobicContact CD1-CE3 4.23Å; I526-W570 HydrophobicContact CD1-CG 4.3Å; I526-W570 HydrophobicContact CG1-CD2 3.72Å; I526-W570 HydrophobicContact CG1-CE3 4.25Å; I526-W570 HydrophobicContact CG1-CG 3.9Å; I526-W570 HydrophobicContact CG1-CZ2 4.14Å; I526-W570 HydrophobicContact CG2-CH2 4.39Å; I526-W570 HydrophobicContact CG2-CZ2 4.27Å; D529-W570 HydrophobicContact CB-CZ2 4.45Å; D529-W570 PolarHBondContact OD2-NE1 3.18Å; W533-W570 HydrophobicContact CH2-CH2 4.05Å; W533-W570 AromaticContact CH2-CZ2 3.47Å; W533-W570 HydrophobicContact CH2-CZ2 3.47Å; W533-W570 VanDerWaalsContact CH2-CZ2 3.47Å; W533-W570 HydrophobicContact CZ3-CH2 4.04Å; W533-W570 AromaticContact CZ3-CZ2 3.74Å; W533-W570 HydrophobicContact CZ3-CZ2 3.74Å; F546-W570 AromaticContact CE2-CH2 3.95Å; F546-W570 HydrophobicContact CE2-CH2 3.95Å; F546-W570 HydrophobicContact CE2-CZ2 4.4Å; M549-W570 HydrophobicContact CB-CZ3 4.35Å; M549-W570 HydrophobicContact CE-CH2 3.92Å; M549-W570 HydrophobicContact CE-CZ3 4.16Å; L553-W570 HydrophobicContact CB-CE3 4.5Å; L553-W570 HydrophobicContact CD1-CB 4.37Å; L553-W570 HydrophobicContact CD2-CE3 3.89Å; T566-W570 PolarHBondContact O-N 3.11Å; T566-W570 VanDerWaalsContact O-N 3.13Å; L567-W570 PolarHBondContact O-N 3.37Å; E568-W570 VanDerWaalsContact C-N 3.34Å; E568-W570 PolarHBondContact O-N 3.12Å; W570-H572 VanDerWaalsContact C-N 3.26Å; W570-H572 PolarHBondContact O-N 2.89Å; W570-I573 HydrophobicContact CZ3-CG2 4.48Å; W570-I573 PolarHBondContact O-N 3.28Å; W570-I573 VanDerWaalsContact O-N 3.09Å; W570-V574 HydrophobicContact CD2-CG2 3.93Å; W570-V574 HydrophobicContact CE3-CG2 4.3Å; W570-V574 HydrophobicContact CG-CG2 4.49Å; W570-V574 HydrophobicContact CH2-CG2 4.23Å; W570-V574 HydrophobicContact CZ2-CG2 3.81Å; W570-V574 HydrophobicContact CZ3-CG2 4.44Å; W570-V574 WeakPolarHBondContact O-CG2 3.29Å; W570-V574 PolarHBondContact O-N 2.92Å
571	S	97.8	Very high	95.6	Very high	63 Å²	63	50.7 Å²	50.7	44%	0.441	27%	0.269	S	S	.	.	H	α-helix	trans	-57.9	-40	179.6	-57.1	0	0	0	0	112	L567 E568 V574 E575	L567-S571 WeakPolarHBondContact O-CB 3.24Å; L567-S571 PolarHBondContact O-N 3.04Å; L567-S571 PolarHBondContact O-OG 3.46Å; E568-S571 PolarHBondContact O-N 3.39Å; S571-V574 PolarHBondContact O-N 3.08Å; S571-E575 PolarHBondContact O-N 3.5Å
572	H	98.2	Very high	95.8	Very high	49 Å²	49	52.7 Å²	52.7	23%	0.227	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-46.2	174.9	-178.2	74.7	0	0	0	112.4	E302 Y556 E568 H569 W570 V574 E575 L576	E302-H572 VanDerWaalsContact CD-NE2 3.25Å; E302-H572 IonicContact OE1-CD2 3.98Å; E302-H572 IonicContact OE1-CE1 2.87Å; E302-H572 IonicContact OE1-NE2 3.7Å; E302-H572 PolarHBondContact OE1-NE2 2.89Å; E302-H572 IonicContact OE2-CE1 3.84Å; E302-H572 PolarHBondContact OE2-CE1 3.29Å; E302-H572 IonicContact OE2-NE2 3.49Å; E302-H572 PolarHBondContact OE2-NE2 2.9Å; Y556-H572 AromaticContact CD2-CD2 3.86Å; Y556-H572 HydrophobicContact CE1-CB 4.27Å; Y556-H572 AromaticContact CE1-CD2 3.82Å; Y556-H572 AromaticContact CE2-CD2 3.22Å; Y556-H572 WeakPolarHBondContact CE2-CD2 3.27Å; Y556-H572 AromaticContact CE2-NE2 3.44Å; Y556-H572 WeakPolarHBondContact CE2-NE2 3.49Å; Y556-H572 AromaticContact CZ-CD2 3.21Å; Y556-H572 AromaticContact CZ-CG 3.75Å; Y556-H572 AromaticContact CZ-NE2 3.77Å; Y556-H572 PolarHBondContact OH-CD2 3.14Å; E568-H572 PolarHBondContact O-N 2.87Å; H569-H572 PolarHBondContact O-N 2.75Å; W570-H572 VanDerWaalsContact C-N 3.26Å; W570-H572 PolarHBondContact O-N 2.89Å; H572-V574 VanDerWaalsContact C-N 3.33Å; H572-V574 PolarHBondContact O-N 2.67Å; H572-E575 PolarHBondContact O-N 2.76Å; H572-L576 WeakPolarHBondContact O-CB 3.41Å; H572-L576 PolarHBondContact O-N 2.79Å
573	I	98	Very high	95.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-39.9	177.6	-68.9	-56.3	0	0	0	111.9	L306 M549 L552 L553 Y556 H569 W570 E575 L576 E577	L306-I573 HydrophobicContact CD1-CD1 4.45Å; M549-I573 HydrophobicContact CE-CG2 4.2Å; L552-I573 HydrophobicContact CB-CD1 4.18Å; L552-I573 HydrophobicContact CB-CG2 4.21Å; L553-I573 HydrophobicContact CB-CG1 4.26Å; L553-I573 HydrophobicContact CD1-CG1 4.26Å; Y556-I573 HydrophobicContact CD1-CD1 4.49Å; Y556-I573 HydrophobicContact CD2-CD1 4.42Å; Y556-I573 HydrophobicContact CG-CD1 4.01Å; Y556-I573 HydrophobicContact CG-CG1 4.49Å; H569-I573 PolarHBondContact O-N 3.04Å; W570-I573 HydrophobicContact CZ3-CG2 4.48Å; W570-I573 PolarHBondContact O-N 3.28Å; W570-I573 VanDerWaalsContact O-N 3.09Å; I573-E575 VanDerWaalsContact C-N 3.32Å; I573-E575 PolarHBondContact O-N 3.22Å; I573-L576 HydrophobicContact CD1-CD2 4.31Å; I573-L576 PolarHBondContact O-N 3.06Å; I573-E577 VanDerWaalsContact O-CB 3.28Å; I573-E577 WeakPolarHBondContact O-CB 3.46Å; I573-E577 PolarHBondContact O-N 3.24Å
574	V	97.4	Very high	95.9	Very high	40 Å²	40	47.9 Å²	47.9	24%	0.242	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-43.8	175.1	176.5	0	0	0	0	111	W533 M549 W570 S571 H572 S578	W533-V574 HydrophobicContact CH2-CB 4.49Å; W533-V574 HydrophobicContact CH2-CG1 4.09Å; W533-V574 HydrophobicContact CH2-CG2 3.57Å; W533-V574 HydrophobicContact CZ2-CG1 3.74Å; W533-V574 HydrophobicContact CZ2-CG2 4Å; M549-V574 HydrophobicContact CE-CG2 4.04Å; W570-V574 HydrophobicContact CD2-CG2 3.93Å; W570-V574 HydrophobicContact CE3-CG2 4.3Å; W570-V574 HydrophobicContact CG-CG2 4.49Å; W570-V574 HydrophobicContact CH2-CG2 4.23Å; W570-V574 HydrophobicContact CZ2-CG2 3.81Å; W570-V574 HydrophobicContact CZ3-CG2 4.44Å; W570-V574 WeakPolarHBondContact O-CG2 3.29Å; W570-V574 PolarHBondContact O-N 2.92Å; S571-V574 PolarHBondContact O-N 3.08Å; H572-V574 VanDerWaalsContact C-N 3.33Å; H572-V574 PolarHBondContact O-N 2.67Å; V574-S578 VanDerWaalsContact O-CB 3.3Å; V574-S578 WeakPolarHBondContact O-CB 3.23Å; V574-S578 PolarHBondContact O-N 3.03Å
575	E	98	Very high	95.8	Very high	100 Å²	100	49 Å²	49	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-45.6	176.4	-172.6	-177.1	165.2	0	0	111.9	S571 H572 I573 E577 S578 K579	S571-E575 PolarHBondContact O-N 3.5Å; H572-E575 PolarHBondContact O-N 2.76Å; I573-E575 VanDerWaalsContact C-N 3.32Å; I573-E575 PolarHBondContact O-N 3.22Å; E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.88Å; E575-S578 WeakPolarHBondContact O-CB 3.36Å; E575-S578 PolarHBondContact O-N 2.84Å; E575-K579 HydrophobicContact CG-CD 4.36Å; E575-K579 WeakPolarHBondContact O-CG 3.36Å; E575-K579 PolarHBondContact O-N 3.34Å; E575-K579 WeakPolarHBondContact OE1-CE 3.15Å; E575-K579 IonicContact OE1-NZ 3.97Å; E575-K579 PolarHBondContact OE1-NZ 3.42Å
576	L	98	Very high	95.3	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-42.4	179.1	-176.6	64.3	0	0	0	111.6	I299 E302 Y303 L306 H572 I573 R580	I299-L576 HydrophobicContact CG2-CD1 3.99Å; E302-L576 HydrophobicContact CG-CD2 4.11Å; Y303-L576 HydrophobicContact CD2-CD1 4.27Å; Y303-L576 HydrophobicContact CD2-CD2 4.46Å; Y303-L576 HydrophobicContact CD2-CG 4.39Å; Y303-L576 HydrophobicContact CE1-CD2 4.37Å; Y303-L576 HydrophobicContact CE2-CD1 3.73Å; Y303-L576 HydrophobicContact CE2-CD2 3.97Å; Y303-L576 HydrophobicContact CE2-CG 3.57Å; Y303-L576 PolarHBondContact OH-O 3.08Å; L306-L576 HydrophobicContact CD1-CD2 4.25Å; H572-L576 WeakPolarHBondContact O-CB 3.41Å; H572-L576 PolarHBondContact O-N 2.79Å; I573-L576 HydrophobicContact CD1-CD2 4.31Å; I573-L576 PolarHBondContact O-N 3.06Å; L576-R580 WeakPolarHBondContact O-CB 3.29Å; L576-R580 PolarHBondContact O-N 3.43Å
577	E	96.4	Very high	94.7	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-40.2	176.9	-178.3	61.3	-172.5	0	0	111.9	Y303 M549 I573 E575 K579 R580 K581	Y303-E577 PolarHBondContact OH-OE2 3.26Å; M549-E577 HydrophobicContact CE-CB 4.11Å; M549-E577 HydrophobicContact CE-CG 4.17Å; M549-E577 HydrophobicContact CG-CG 4.27Å; M549-E577 HydrophobicContact SD-CG 4.01Å; I573-E577 VanDerWaalsContact O-CB 3.28Å; I573-E577 WeakPolarHBondContact O-CB 3.46Å; I573-E577 PolarHBondContact O-N 3.24Å; E575-E577 VanDerWaalsContact C-N 3.32Å; E575-E577 PolarHBondContact O-N 2.88Å; E577-K579 PolarHBondContact O-N 3.48Å; E577-R580 PolarHBondContact O-N 2.94Å; E577-R580 IonicContact OE1-CZ 2.99Å; E577-R580 IonicContact OE1-NE 2.64Å; E577-R580 IonicContact OE1-NH2 3.07Å; E577-R580 PolarHBondContact OE1-NH2 3.18Å; E577-R580 IonicContact OE2-CZ 3.66Å; E577-R580 VanDerWaalsContact OE2-CZ 3.27Å; E577-R580 IonicContact OE2-NE 3.88Å; E577-R580 PolarHBondContact OE2-NE 3.28Å; E577-R580 IonicContact OE2-NH2 3.71Å; E577-R580 PolarHBondContact OE2-NH2 3.15Å; E577-K581 HydrophobicContact CG-CD 4.48Å; E577-K581 WeakPolarHBondContact O-CB 3.46Å; E577-K581 WeakPolarHBondContact O-CG 3.44Å; E577-K581 PolarHBondContact O-N 3.05Å; E577-K581 WeakPolarHBondContact OE1-CE 3.48Å
578	S	95.4	Very high	94	Very high	69 Å²	69	52.5 Å²	52.5	48%	0.483	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-45.2	174.7	-180	0	0	0	0	112	V574 E575 K581 S582	V574-S578 VanDerWaalsContact O-CB 3.3Å; V574-S578 WeakPolarHBondContact O-CB 3.23Å; V574-S578 PolarHBondContact O-N 3.03Å; E575-S578 WeakPolarHBondContact O-CB 3.36Å; E575-S578 PolarHBondContact O-N 2.84Å; S578-K581 PolarHBondContact O-N 2.98Å; S578-S582 WeakPolarHBondContact O-CB 3.43Å; S578-S582 PolarHBondContact O-N 3.21Å; S578-S582 PolarHBondContact O-OG 3.34Å
579	K	96.2	Very high	92.8	Very high	92 Å²	92	48.2 Å²	48.2	40%	0.4	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-44.3	175.3	-69.6	171.4	179.7	166.2	0	111.3	I299 E575 E577 S582 R583	I299-K579 HydrophobicContact CD1-CB 3.62Å; I299-K579 HydrophobicContact CD1-CD 3.85Å; I299-K579 HydrophobicContact CD1-CG 4.26Å; E575-K579 HydrophobicContact CG-CD 4.36Å; E575-K579 WeakPolarHBondContact O-CG 3.36Å; E575-K579 PolarHBondContact O-N 3.34Å; E575-K579 WeakPolarHBondContact OE1-CE 3.15Å; E575-K579 IonicContact OE1-NZ 3.97Å; E575-K579 PolarHBondContact OE1-NZ 3.42Å; E577-K579 PolarHBondContact O-N 3.48Å; K579-S582 WeakPolarHBondContact O-CB 3.49Å; K579-S582 PolarHBondContact O-N 3.13Å; K579-R583 PolarHBondContact O-N 3Å
580	R	95.2	Very high	91.2	Very high	20 Å²	20	50.5 Å²	50.5	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-50.5	177.2	-174	179.8	70.8	88	-1.5	112.2	Y303 L474 L475 L476 L576 E577 S582 R583 I584	Y303-R580 HydrophobicContact CE2-CB 4.07Å; Y303-R580 HydrophobicContact CE2-CG 4.29Å; Y303-R580 VanDerWaalsContact CZ-CD 3.48Å; Y303-R580 WeakPolarHBondContact OH-CD 3.46Å; Y303-R580 PolarHBondContact OH-NE 3.34Å; L474-R580 VanDerWaalsContact CD1-CZ 3.44Å; L475-R580 WeakPolarHBondContact O-CD 3.06Å; L475-R580 PolarHBondContact O-NH1 2.97Å; L476-R580 VanDerWaalsContact CD2-CD 3.4Å; L476-R580 HydrophobicContact CD2-CG 3.77Å; L576-R580 WeakPolarHBondContact O-CB 3.29Å; L576-R580 PolarHBondContact O-N 3.43Å; E577-R580 PolarHBondContact O-N 2.94Å; E577-R580 IonicContact OE1-CZ 2.99Å; E577-R580 IonicContact OE1-NE 2.64Å; E577-R580 IonicContact OE1-NH2 3.07Å; E577-R580 PolarHBondContact OE1-NH2 3.18Å; E577-R580 IonicContact OE2-CZ 3.66Å; E577-R580 VanDerWaalsContact OE2-CZ 3.27Å; E577-R580 IonicContact OE2-NE 3.88Å; E577-R580 PolarHBondContact OE2-NE 3.28Å; E577-R580 IonicContact OE2-NH2 3.71Å; E577-R580 PolarHBondContact OE2-NH2 3.15Å; R580-S582 VanDerWaalsContact C-N 3.25Å; R580-S582 PolarHBondContact O-N 3.34Å; R580-R583 PolarHBondContact O-N 3.39Å; R580-I584 HydrophobicContact CG-CD1 4.34Å; R580-I584 WeakPolarHBondContact O-CG1 3.5Å; R580-I584 PolarHBondContact O-N 2.87Å; R580-I584 VanDerWaalsContact O-N 3.07Å
581	K	93.3	Very high	89.3	Confident	70 Å²	70	54.4 Å²	54.4	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-59.4	-37.4	177.4	-74.4	-171.6	173.9	-169.3	0	111.6	E545 E577 S578 I584 A585	E545-K581 IonicContact OE1-NZ 2.8Å; E545-K581 IonicContact OE2-NZ 3.28Å; E545-K581 PolarHBondContact OE2-NZ 3.07Å; E577-K581 HydrophobicContact CG-CD 4.48Å; E577-K581 WeakPolarHBondContact O-CB 3.46Å; E577-K581 WeakPolarHBondContact O-CG 3.44Å; E577-K581 PolarHBondContact O-N 3.05Å; E577-K581 WeakPolarHBondContact OE1-CE 3.48Å; S578-K581 PolarHBondContact O-N 2.98Å; K581-I584 PolarHBondContact O-N 3.09Å; K581-A585 PolarHBondContact O-N 3.48Å
582	S	92.8	Very high	86.9	Confident	61 Å²	61	58.3 Å²	58.3	43%	0.427	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-45.2	175.1	-60.9	0	0	0	0	112.5	S578 K579 R580 I584 A585 L586	S578-S582 WeakPolarHBondContact O-CB 3.43Å; S578-S582 PolarHBondContact O-N 3.21Å; S578-S582 PolarHBondContact O-OG 3.34Å; K579-S582 WeakPolarHBondContact O-CB 3.49Å; K579-S582 PolarHBondContact O-N 3.13Å; R580-S582 VanDerWaalsContact C-N 3.25Å; R580-S582 PolarHBondContact O-N 3.34Å; S582-I584 VanDerWaalsContact C-N 3.33Å; S582-I584 PolarHBondContact O-N 3.45Å; S582-A585 PolarHBondContact O-N 3.17Å; S582-L586 WeakPolarHBondContact O-CG 3.29Å; S582-L586 PolarHBondContact O-N 3.02Å
583	R	92.2	Very high	86.3	Confident	31 Å²	31	58.8 Å²	58.8	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-41.4	174.6	-68.9	-172.7	171.5	172.6	6.3	112.1	D297 P477 E479 K579 R580 L586 S587	D297-R583 IonicContact OD1-CZ 3.27Å; D297-R583 VanDerWaalsContact OD1-CZ 3.28Å; D297-R583 IonicContact OD1-NH1 3.87Å; D297-R583 PolarHBondContact OD1-NH1 3.04Å; D297-R583 IonicContact OD1-NH2 3.58Å; D297-R583 PolarHBondContact OD1-NH2 3.43Å; D297-R583 IonicContact OD2-CZ 2.67Å; D297-R583 IonicContact OD2-NH1 2.63Å; D297-R583 PolarHBondContact OD2-NH1 2.83Å; D297-R583 IonicContact OD2-NH2 2.81Å; P477-R583 HydrophobicContact CB-CB 4.26Å; P477-R583 HydrophobicContact CG-CB 3.74Å; E479-R583 WeakPolarHBondContact OE2-CD 3.37Å; E479-R583 WeakPolarHBondContact OE2-CG 3.46Å; E479-R583 IonicContact OE2-CZ 2.91Å; E479-R583 IonicContact OE2-NE 2.74Å; E479-R583 PolarHBondContact OE2-NE 3.04Å; K579-R583 PolarHBondContact O-N 3Å; R580-R583 PolarHBondContact O-N 3.39Å; R583-L586 PolarHBondContact O-N 2.64Å; R583-S587 WeakPolarHBondContact O-CB 3.46Å; R583-S587 PolarHBondContact O-N 2.91Å; R583-S587 PolarHBondContact O-OG 3.46Å
584	I	91.6	Very high	85.7	Confident	18 Å²	18	61.8 Å²	61.8	9%	0.092	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-46.6	177.1	-65.4	167.7	0	0	0	110.4	L475 P477 R580 K581 S582 L586 S587 K588	L475-I584 HydrophobicContact CB-CD1 3.96Å; L475-I584 HydrophobicContact CB-CG1 4.43Å; P477-I584 HydrophobicContact CG-CG1 3.88Å; R580-I584 HydrophobicContact CG-CD1 4.34Å; R580-I584 WeakPolarHBondContact O-CG1 3.5Å; R580-I584 PolarHBondContact O-N 2.87Å; R580-I584 VanDerWaalsContact O-N 3.07Å; K581-I584 PolarHBondContact O-N 3.09Å; S582-I584 VanDerWaalsContact C-N 3.33Å; S582-I584 PolarHBondContact O-N 3.45Å; I584-L586 PolarHBondContact O-N 3.43Å; I584-S587 PolarHBondContact O-N 3.3Å; I584-S587 PolarHBondContact O-OG 3.4Å; I584-K588 HydrophobicContact CG2-CD 4.25Å; I584-K588 WeakPolarHBondContact O-CG 3.47Å; I584-K588 PolarHBondContact O-N 3.02Å
585	A	90.1	Very high	85.1	Confident	60 Å²	60	63.1 Å²	63.1	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-43.9	178.4	0	0	0	0	0	112.1	K581 S582 K588 S589	K581-A585 PolarHBondContact O-N 3.48Å; S582-A585 PolarHBondContact O-N 3.17Å; A585-K588 PolarHBondContact O-N 3.45Å; A585-S589 PolarHBondContact O-N 3.01Å; A585-S589 VanDerWaalsContact O-N 3.12Å
586	L	87	Confident	84.3	Confident	89 Å²	89	60.9 Å²	60.9	47%	0.466	35%	0.348	S	S	.	.	H	α-helix	trans	-61.9	-45.9	175.2	-71	170.1	0	0	0	111.7	S582 R583 I584 K588 S589 Q590	S582-L586 WeakPolarHBondContact O-CG 3.29Å; S582-L586 PolarHBondContact O-N 3.02Å; R583-L586 PolarHBondContact O-N 2.64Å; I584-L586 PolarHBondContact O-N 3.43Å; L586-K588 VanDerWaalsContact C-N 3.33Å; L586-K588 PolarHBondContact O-N 2.91Å; L586-S589 PolarHBondContact O-N 2.96Å; L586-S589 PolarHBondContact O-OG 3.06Å; L586-Q590 WeakPolarHBondContact O-CG 3.39Å; L586-Q590 PolarHBondContact O-N 3.4Å
587	S	83	Confident	83.5	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.063	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-40.2	178.7	74.6	0	0	0	0	112.4	Y329 R583 I584 Q590 T591	Y329-S587 PolarHBondContact OH-OG 3.26Å; R583-S587 WeakPolarHBondContact O-CB 3.46Å; R583-S587 PolarHBondContact O-N 2.91Å; R583-S587 PolarHBondContact O-OG 3.46Å; I584-S587 PolarHBondContact O-N 3.3Å; I584-S587 PolarHBondContact O-OG 3.4Å; S587-Q590 PolarHBondContact O-N 3.4Å; S587-T591 PolarHBondContact O-N 3.32Å; S587-T591 PolarHBondContact O-OG1 3.35Å
588	K	80.6	Confident	82.6	Confident	132 Å²	132	67.9 Å²	67.9	57%	0.574	39%	0.389	S	S	*	.	H	α-helix	trans	-63.6	-43.1	176.6	-74.1	178	179.8	177.6	0	111.8	I584 A585 L586 Q590 T591 S592	I584-K588 HydrophobicContact CG2-CD 4.25Å; I584-K588 WeakPolarHBondContact O-CG 3.47Å; I584-K588 PolarHBondContact O-N 3.02Å; A585-K588 PolarHBondContact O-N 3.45Å; L586-K588 VanDerWaalsContact C-N 3.33Å; L586-K588 PolarHBondContact O-N 2.91Å; K588-Q590 PolarHBondContact O-N 3.33Å; K588-T591 WeakPolarHBondContact CA-OG1 3.43Å; K588-T591 PolarHBondContact O-N 2.86Å; K588-T591 VanDerWaalsContact O-N 3.1Å; K588-T591 PolarHBondContact O-OG1 3.37Å; K588-S592 PolarHBondContact O-N 2.87Å; K588-S592 PolarHBondContact O-OG 2.72Å
589	S	72.8	Confident	81.7	Confident	68 Å²	68	67.9 Å²	67.9	48%	0.476	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-22.3	179	72.3	0	0	0	0	114.3	A585 L586 S592	A585-S589 PolarHBondContact O-N 3.01Å; A585-S589 VanDerWaalsContact O-N 3.12Å; L586-S589 PolarHBondContact O-N 2.96Å; L586-S589 PolarHBondContact O-OG 3.06Å; S589-S592 PolarHBondContact O-OG 3.08Å
590	Q	63.8	Low	80.6	Confident	70 Å²	70	66 Å²	66	33%	0.327	38%	0.381	S	S	.	.	H	α-helix	trans	-88.2	-13.9	176.5	-66.8	176.3	1	0	0	113	R332 S333 L586 S587 K588	R332-Q590 HydrophobicContact CB-CB 4.48Å; S333-Q590 VanDerWaalsContact CA-OE1 3.31Å; S333-Q590 VanDerWaalsContact CB-NE2 3.26Å; S333-Q590 VanDerWaalsContact N-OE1 3.12Å; S333-Q590 PolarHBondContact OG-NE2 3.02Å; L586-Q590 WeakPolarHBondContact O-CG 3.39Å; L586-Q590 PolarHBondContact O-N 3.4Å; S587-Q590 PolarHBondContact O-N 3.4Å; K588-Q590 PolarHBondContact O-N 3.33Å
591	T	58.1	Low	79.3	Confident	85 Å²	85	69.8 Å²	69.8	52%	0.521	41%	0.406	S	S	.	.	H	α-helix	trans	-97.2	-25.2	178.9	53.5	0	0	0	0	113.7	S587 K588	S587-T591 PolarHBondContact O-N 3.32Å; S587-T591 PolarHBondContact O-OG1 3.35Å; K588-T591 WeakPolarHBondContact CA-OG1 3.43Å; K588-T591 PolarHBondContact O-N 2.86Å; K588-T591 VanDerWaalsContact O-N 3.1Å; K588-T591 PolarHBondContact O-OG1 3.37Å
592	S	46.9	Very low	78.1	Confident	145 Å²	145	69.8 Å²	69.8	100%	1.014	42%	0.416	S	S	*	.			trans	-83.6	0	172.5	60.1	0	0	0	0	111.4	K588 S589	K588-S592 PolarHBondContact O-N 2.87Å; K588-S592 PolarHBondContact O-OG 2.72Å; S589-S592 PolarHBondContact O-OG 3.08Å

Retrieved 592 of 592 residues in 184 ms (Link to these results)

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