A0A3Q0KFN1_SCHMA Loading...

Ing-related AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KFN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 602 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	53.1	Low	76.2	Confident	217 Å²	217	113.7 Å²	113.7	100%	1.069	62%	0.624	S	S	*	*				0	-48.8	0	-82	-167.4	171.9	0	0	115	D4	M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 PolarHBondContact N-OD2 3.43Å
2	Q	56.2	Low	77	Confident	179 Å²	179	109.6 Å²	109.6	84%	0.836	61%	0.61	S	S	*	*	H	α-helix	trans	-76.4	-37.4	175.3	-86.4	-176	-19.4	0	0	113
3	L	59.5	Low	77.7	Confident	126 Å²	126	111.5 Å²	111.5	66%	0.66	60%	0.603	S	S	*	*	H	α-helix	trans	-62.7	-45.8	179.2	-63.8	173.6	0	0	0	112.3	G5 M6 D7	L3-G5 PolarHBondContact O-N 3Å; L3-G5 VanDerWaalsContact O-N 3.08Å; L3-M6 CarbonylContact O-C 3.53Å; L3-M6 WeakPolarHBondContact O-CA 3.47Å; L3-M6 WeakPolarHBondContact O-CB 3.19Å; L3-M6 PolarHBondContact O-N 2.89Å; L3-D7 PolarHBondContact O-N 3.38Å
4	D	70.6	Confident	78.4	Confident	99 Å²	99	108.1 Å²	108.1	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-58.9	-31.2	-175.6	-29.4	-112.3	0	0	0	112.4	M1 S8	M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 PolarHBondContact N-OD2 3.43Å; D4-S8 WeakPolarHBondContact O-CB 3.25Å; D4-S8 PolarHBondContact O-N 2.71Å
5	G	79.8	Confident	78.9	Confident	49 Å²	49	106.7 Å²	106.7	51%	0.505	58%	0.579	S	S	.	*	H	α-helix	trans	-76.2	-26	174.3	0	0	0	0	0	114	L3 L9	L3-G5 PolarHBondContact O-N 3Å; L3-G5 VanDerWaalsContact O-N 3.08Å; G5-L9 WeakPolarHBondContact O-CB 2.97Å; G5-L9 PolarHBondContact O-N 3.36Å
6	M	80.4	Confident	79.2	Confident	119 Å²	119	104.1 Å²	104.1	59%	0.586	57%	0.572	S	S	*	*	H	α-helix	trans	-78.2	-42.4	171.7	-58	-174.2	78.5	0	0	110.5	L3 L9 I10	L3-M6 CarbonylContact O-C 3.53Å; L3-M6 WeakPolarHBondContact O-CA 3.47Å; L3-M6 WeakPolarHBondContact O-CB 3.19Å; L3-M6 PolarHBondContact O-N 2.89Å; M6-L9 WeakPolarHBondContact O-CB 3.29Å; M6-L9 PolarHBondContact O-N 2.78Å; M6-L9 VanDerWaalsContact O-N 3.16Å; M6-I10 VanDerWaalsContact O-CG1 3.26Å; M6-I10 WeakPolarHBondContact O-CG1 3.4Å; M6-I10 PolarHBondContact O-N 3.19Å
7	D	83.9	Confident	79.1	Confident	92 Å²	92	101.2 Å²	101.2	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-61.3	-47	176.9	-60.1	-41.5	0	0	0	110.9	L3 L9 I10 S11	L3-D7 PolarHBondContact O-N 3.38Å; D7-L9 VanDerWaalsContact C-N 3.28Å; D7-L9 PolarHBondContact O-N 3.24Å; D7-I10 PolarHBondContact O-N 3.04Å; D7-I10 VanDerWaalsContact O-N 3.14Å; D7-S11 PolarHBondContact O-N 3.36Å; D7-S11 PolarHBondContact O-OG 2.95Å
8	S	87.1	Confident	79.3	Confident	83 Å²	83	103.2 Å²	103.2	58%	0.58	56%	0.56	S	S	*	*	H	α-helix	trans	-59.6	-35.8	174.3	178.1	0	0	0	0	113.3	D4 S12	D4-S8 WeakPolarHBondContact O-CB 3.25Å; D4-S8 PolarHBondContact O-N 2.71Å; S8-S12 WeakPolarHBondContact O-CB 3.46Å; S8-S12 PolarHBondContact O-N 2.83Å; S8-S12 VanDerWaalsContact O-N 3.12Å
9	L	89.1	Confident	79.6	Confident	122 Å²	122	105.3 Å²	105.3	64%	0.639	57%	0.569	S	S	*	*	H	α-helix	trans	-70.1	-40.4	175.5	-179.9	67	0	0	0	111.5	G5 M6 D7 Y13	G5-L9 WeakPolarHBondContact O-CB 2.97Å; G5-L9 PolarHBondContact O-N 3.36Å; M6-L9 WeakPolarHBondContact O-CB 3.29Å; M6-L9 PolarHBondContact O-N 2.78Å; M6-L9 VanDerWaalsContact O-N 3.16Å; D7-L9 VanDerWaalsContact C-N 3.28Å; D7-L9 PolarHBondContact O-N 3.24Å; L9-Y13 WeakPolarHBondContact O-CB 3.14Å; L9-Y13 PolarHBondContact O-N 3.15Å
10	I	89.9	Confident	80	Confident	98 Å²	98	102.9 Å²	102.9	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-65.7	-46.7	178	-69.6	162.8	0	0	0	110.3	M6 D7 Y13 V14	M6-I10 VanDerWaalsContact O-CG1 3.26Å; M6-I10 WeakPolarHBondContact O-CG1 3.4Å; M6-I10 PolarHBondContact O-N 3.19Å; D7-I10 PolarHBondContact O-N 3.04Å; D7-I10 VanDerWaalsContact O-N 3.14Å; I10-Y13 PolarHBondContact O-N 3.16Å; I10-V14 HydrophobicContact CG2-CG2 4.46Å; I10-V14 WeakPolarHBondContact O-CG2 3.49Å; I10-V14 PolarHBondContact O-N 3.1Å
11	S	88.2	Confident	80.4	Confident	67 Å²	67	100 Å²	100	47%	0.469	54%	0.542	S	S	.	.	H	α-helix	trans	-56.4	-52.8	173.9	-60.9	0	0	0	0	111.4	D7 Y13 V14 D15	D7-S11 PolarHBondContact O-N 3.36Å; D7-S11 PolarHBondContact O-OG 2.95Å; S11-Y13 PolarHBondContact O-N 3.26Å; S11-V14 PolarHBondContact O-N 2.97Å; S11-D15 PolarHBondContact O-N 2.87Å
12	S	86.5	Confident	82.2	Confident	64 Å²	64	94.2 Å²	94.2	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-32.8	-179.8	-177.5	0	0	0	0	113.3	S8 S16	S8-S12 WeakPolarHBondContact O-CB 3.46Å; S8-S12 PolarHBondContact O-N 2.83Å; S8-S12 VanDerWaalsContact O-N 3.12Å; S12-S16 WeakPolarHBondContact O-CB 3.22Å; S12-S16 PolarHBondContact O-N 3.34Å; S12-S16 VanDerWaalsContact O-N 3.13Å; S12-S16 PolarHBondContact O-OG 3.19Å
13	Y	86.3	Confident	83.8	Confident	135 Å²	135	89.8 Å²	89.8	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-70.6	-44	173	176.6	-105.8	0	0	0	112.4	L9 I10 S11 S16 L17	L9-Y13 WeakPolarHBondContact O-CB 3.14Å; L9-Y13 PolarHBondContact O-N 3.15Å; I10-Y13 PolarHBondContact O-N 3.16Å; S11-Y13 PolarHBondContact O-N 3.26Å; Y13-S16 WeakPolarHBondContact O-CB 3.45Å; Y13-S16 PolarHBondContact O-N 2.75Å; Y13-L17 HydrophobicContact CD1-CD1 4.18Å; Y13-L17 HydrophobicContact CE1-CD1 3.54Å; Y13-L17 HydrophobicContact CE1-CG 4.19Å; Y13-L17 HydrophobicContact CE2-CD2 4.43Å; Y13-L17 HydrophobicContact CE2-CG 4.37Å; Y13-L17 WeakPolarHBondContact O-CG 3.5Å; Y13-L17 PolarHBondContact O-N 3.06Å
14	V	87.3	Confident	85.3	Confident	63 Å²	63	84.6 Å²	84.6	38%	0.382	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-46.5	176.2	168.5	0	0	0	0	111	I10 S11 S16 L17 Q18	I10-V14 HydrophobicContact CG2-CG2 4.46Å; I10-V14 WeakPolarHBondContact O-CG2 3.49Å; I10-V14 PolarHBondContact O-N 3.1Å; S11-V14 PolarHBondContact O-N 2.97Å; V14-S16 VanDerWaalsContact C-N 3.28Å; V14-S16 PolarHBondContact O-N 3.02Å; V14-L17 PolarHBondContact O-N 3.26Å; V14-L17 VanDerWaalsContact O-N 3.11Å; V14-Q18 WeakPolarHBondContact O-CG 3.21Å; V14-Q18 PolarHBondContact O-N 3.02Å
15	D	85.6	Confident	86.3	Confident	87 Å²	87	83.4 Å²	83.4	47%	0.465	47%	0.466	S	S	.	.	H	α-helix	trans	-56.4	-44.5	174.6	-61.3	-27.5	0	0	0	110.9	S11 L17 Q18 I19	S11-D15 PolarHBondContact O-N 2.87Å; D15-L17 VanDerWaalsContact C-N 3.32Å; D15-L17 PolarHBondContact O-N 3.38Å; D15-Q18 PolarHBondContact O-N 3.13Å; D15-I19 WeakPolarHBondContact O-CD1 3.36Å; D15-I19 WeakPolarHBondContact O-CG1 3.42Å; D15-I19 PolarHBondContact O-N 3.04Å
16	S	83.3	Confident	86.9	Confident	66 Å²	66	84.9 Å²	84.9	46%	0.462	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-35	177.9	-62.1	0	0	0	0	112.9	S12 Y13 V14	S12-S16 WeakPolarHBondContact O-CB 3.22Å; S12-S16 PolarHBondContact O-N 3.34Å; S12-S16 VanDerWaalsContact O-N 3.13Å; S12-S16 PolarHBondContact O-OG 3.19Å; Y13-S16 WeakPolarHBondContact O-CB 3.45Å; Y13-S16 PolarHBondContact O-N 2.75Å; V14-S16 VanDerWaalsContact C-N 3.28Å; V14-S16 PolarHBondContact O-N 3.02Å
17	L	78.6	Confident	87.4	Confident	55 Å²	55	82 Å²	82	29%	0.288	45%	0.451	S	S	.	.	H	α-helix	trans	-71.5	-40.2	175.1	-71.7	-178.5	0	0	0	112.3	Y13 V14 D15 I19 L20 Q25	Y13-L17 HydrophobicContact CD1-CD1 4.18Å; Y13-L17 HydrophobicContact CE1-CD1 3.54Å; Y13-L17 HydrophobicContact CE1-CG 4.19Å; Y13-L17 HydrophobicContact CE2-CD2 4.43Å; Y13-L17 HydrophobicContact CE2-CG 4.37Å; Y13-L17 WeakPolarHBondContact O-CG 3.5Å; Y13-L17 PolarHBondContact O-N 3.06Å; V14-L17 PolarHBondContact O-N 3.26Å; V14-L17 VanDerWaalsContact O-N 3.11Å; D15-L17 VanDerWaalsContact C-N 3.32Å; D15-L17 PolarHBondContact O-N 3.38Å; L17-I19 PolarHBondContact O-N 3.46Å; L17-L20 HydrophobicContact CD2-CD1 3.81Å; L17-L20 WeakPolarHBondContact O-CB 3.47Å; L17-L20 PolarHBondContact O-N 2.64Å; L17-Q25 PolarHBondContact O-NE2 3.42Å
18	Q	81.5	Confident	87.7	Confident	137 Å²	137	79.9 Å²	79.9	64%	0.64	44%	0.44	S	S	*	.	H	α-helix	trans	-61.5	-30	179.7	-69.8	179.9	24.7	0	0	112.6	V14 D15 L20 Q25	V14-Q18 WeakPolarHBondContact O-CG 3.21Å; V14-Q18 PolarHBondContact O-N 3.02Å; D15-Q18 PolarHBondContact O-N 3.13Å; Q18-L20 VanDerWaalsContact C-N 3.3Å; Q18-L20 PolarHBondContact O-N 2.97Å; Q18-Q25 PolarHBondContact O-NE2 2.88Å
19	I	85.3	Confident	87.9	Confident	143 Å²	143	80.1 Å²	80.1	73%	0.733	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.1	178	-64	163.1	0	0	0	112.5	D15 L17	D15-I19 WeakPolarHBondContact O-CD1 3.36Å; D15-I19 WeakPolarHBondContact O-CG1 3.42Å; D15-I19 PolarHBondContact O-N 3.04Å; L17-I19 PolarHBondContact O-N 3.46Å
20	L	86.8	Confident	88	Confident	57 Å²	57	76.5 Å²	76.5	30%	0.298	43%	0.425	S	S	.	.	S	Bend	trans	-69.6	148.4	-179.7	-64.5	178.7	0	0	0	112.5	L17 Q18 S22 M24 Q25 I28	L17-L20 HydrophobicContact CD2-CD1 3.81Å; L17-L20 WeakPolarHBondContact O-CB 3.47Å; L17-L20 PolarHBondContact O-N 2.64Å; Q18-L20 VanDerWaalsContact C-N 3.3Å; Q18-L20 PolarHBondContact O-N 2.97Å; L20-S22 PolarHBondContact O-N 3.37Å; L20-M24 HydrophobicContact CD2-SD 4.49Å; L20-Q25 HydrophobicContact CB-CG 4.06Å; L20-Q25 PolarHBondContact O-NE2 2.74Å; L20-I28 HydrophobicContact CD1-CD1 3.94Å
21	P	90.2	Very high	88.2	Confident	42 Å²	42	75.1 Å²	75.1	27%	0.273	41%	0.414	S	S	.	.			trans	-51.9	138	168.9	-24.3	32.2	0	0	0	112.4	E23 M24 Q25 H96	P21-E23 PolarHBondContact O-N 3.41Å; P21-E23 VanDerWaalsContact O-N 3.13Å; P21-M24 HydrophobicContact CB-CG 4.31Å; P21-M24 HydrophobicContact CG-CE 4.33Å; P21-M24 HydrophobicContact CG-CG 4.39Å; P21-M24 HydrophobicContact CG-SD 3.98Å; P21-M24 WeakPolarHBondContact O-CA 3.42Å; P21-M24 WeakPolarHBondContact O-CB 3.34Å; P21-M24 PolarHBondContact O-N 3.25Å; P21-Q25 PolarHBondContact O-N 3.09Å; P21-H96 WeakPolarHBondContact CG-ND1 3.34Å
22	S	89.7	Confident	88.5	Confident	95 Å²	95	76.7 Å²	76.7	66%	0.664	42%	0.417	S	S	*	.	H	α-helix	trans	-57.9	-30	-177.7	53.3	0	0	0	0	114	L20 Q25 S26	L20-S22 PolarHBondContact O-N 3.37Å; S22-Q25 PolarHBondContact O-N 3.43Å; S22-S26 WeakPolarHBondContact O-CB 3.43Å; S22-S26 PolarHBondContact O-N 3.01Å
23	E	90.3	Very high	88.8	Confident	86 Å²	86	79.1 Å²	79.1	40%	0.402	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-41.6	171.5	-174.5	176.4	-177.1	0	0	112.1	P21 S26 R27 V92	P21-E23 PolarHBondContact O-N 3.41Å; P21-E23 VanDerWaalsContact O-N 3.13Å; E23-S26 PolarHBondContact O-N 2.97Å; E23-R27 VanDerWaalsContact O-CG 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.39Å; E23-R27 PolarHBondContact O-N 3.42Å; E23-R27 IonicContact OE1-CZ 3.18Å; E23-R27 IonicContact OE1-NE 2.97Å; E23-R27 PolarHBondContact OE1-NE 3.46Å; E23-R27 VanDerWaalsContact OE1-NE 3.11Å; E23-R27 IonicContact OE1-NH2 3.58Å; E23-R27 PolarHBondContact OE1-NH2 3.27Å; E23-V92 HydrophobicContact CG-CG1 4.3Å; E23-V92 HydrophobicContact CG-CG2 4.27Å; E23-V92 VanDerWaalsContact OE1-CG2 3.25Å; E23-V92 WeakPolarHBondContact OE1-CG2 3.46Å
24	M	91.5	Very high	89.1	Confident	17 Å²	17	73.2 Å²	73.2	8%	0.084	40%	0.4	C	S	.	.	H	α-helix	trans	-66.9	-44.7	175.1	-64.8	-177.9	177.3	0	0	111.1	L20 P21 S26 R27 I28 L89 V92 I93 H96	L20-M24 HydrophobicContact CD2-SD 4.49Å; P21-M24 HydrophobicContact CB-CG 4.31Å; P21-M24 HydrophobicContact CG-CE 4.33Å; P21-M24 HydrophobicContact CG-CG 4.39Å; P21-M24 HydrophobicContact CG-SD 3.98Å; P21-M24 WeakPolarHBondContact O-CA 3.42Å; P21-M24 WeakPolarHBondContact O-CB 3.34Å; P21-M24 PolarHBondContact O-N 3.25Å; M24-S26 VanDerWaalsContact C-N 3.29Å; M24-S26 PolarHBondContact O-N 3.4Å; M24-R27 PolarHBondContact O-N 3Å; M24-I28 WeakPolarHBondContact O-CB 3.45Å; M24-I28 WeakPolarHBondContact O-CD1 3.48Å; M24-I28 VanDerWaalsContact O-CG1 3.23Å; M24-I28 WeakPolarHBondContact O-CG1 3.19Å; M24-I28 PolarHBondContact O-N 3.3Å; M24-L89 HydrophobicContact CB-CD1 4.48Å; M24-L89 HydrophobicContact CG-CD1 4.4Å; M24-V92 HydrophobicContact CE-CG1 3.86Å; M24-V92 WeakPolarHBondContact CE-O 3.21Å; M24-V92 HydrophobicContact CG-CG1 3.74Å; M24-I93 HydrophobicContact CE-CB 4.35Å; M24-I93 HydrophobicContact CE-CG1 3.81Å; M24-I93 HydrophobicContact SD-CG1 4.36Å; M24-H96 HydrophobicContact CE-CB 3.58Å
25	Q	91.8	Very high	89.5	Confident	74 Å²	74	72 Å²	72	35%	0.346	39%	0.391	S	S	.	.	H	α-helix	trans	-56.9	-44.5	176.6	-61.5	-176.8	15.4	0	0	111.2	L17 Q18 L20 P21 S22 T29	L17-Q25 PolarHBondContact O-NE2 3.42Å; Q18-Q25 PolarHBondContact O-NE2 2.88Å; L20-Q25 HydrophobicContact CB-CG 4.06Å; L20-Q25 PolarHBondContact O-NE2 2.74Å; P21-Q25 PolarHBondContact O-N 3.09Å; S22-Q25 PolarHBondContact O-N 3.43Å; Q25-T29 WeakPolarHBondContact O-CB 2.84Å; Q25-T29 PolarHBondContact O-N 2.96Å; Q25-T29 PolarHBondContact O-OG1 2.95Å
26	S	91.1	Very high	89.9	Confident	80 Å²	80	73.7 Å²	73.7	56%	0.559	40%	0.399	S	S	*	.	H	α-helix	trans	-60.7	-49.5	176.1	-176.7	0	0	0	0	112.3	S22 E23 M24 I28 T29 A30	S22-S26 WeakPolarHBondContact O-CB 3.43Å; S22-S26 PolarHBondContact O-N 3.01Å; E23-S26 PolarHBondContact O-N 2.97Å; M24-S26 VanDerWaalsContact C-N 3.29Å; M24-S26 PolarHBondContact O-N 3.4Å; S26-I28 PolarHBondContact O-N 3.33Å; S26-T29 WeakPolarHBondContact O-CB 3.36Å; S26-T29 PolarHBondContact O-N 3.45Å; S26-A30 PolarHBondContact O-N 3.46Å
27	R	90.6	Very high	90.4	Very high	59 Å²	59	73.1 Å²	73.1	22%	0.223	39%	0.389	C	S	.	.	H	α-helix	trans	-63.8	-41.5	179.3	-70.9	174.9	-175.2	-75.2	7.2	112.9	E23 M24 T29 A30 Y31 E88 L89	E23-R27 VanDerWaalsContact O-CG 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.39Å; E23-R27 PolarHBondContact O-N 3.42Å; E23-R27 IonicContact OE1-CZ 3.18Å; E23-R27 IonicContact OE1-NE 2.97Å; E23-R27 PolarHBondContact OE1-NE 3.46Å; E23-R27 VanDerWaalsContact OE1-NE 3.11Å; E23-R27 IonicContact OE1-NH2 3.58Å; E23-R27 PolarHBondContact OE1-NH2 3.27Å; M24-R27 PolarHBondContact O-N 3Å; R27-T29 VanDerWaalsContact C-N 3.35Å; R27-A30 PolarHBondContact O-N 3.27Å; R27-Y31 PolarHBondContact O-N 3.49Å; R27-E88 IonicContact CZ-OE2 2.76Å; R27-E88 IonicContact NH1-OE2 3.28Å; R27-E88 PolarHBondContact NH1-OE2 3.24Å; R27-E88 IonicContact NH2-OE2 3.77Å; R27-E88 PolarHBondContact NH2-OE2 3.41Å; R27-L89 HydrophobicContact CB-CD1 4.02Å
28	I	91.7	Very high	91.2	Very high	48 Å²	48	72.3 Å²	72.3	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-43.5	174.1	-67.9	164.3	0	0	0	110.3	L20 M24 S26 Y31 L32 L89	L20-I28 HydrophobicContact CD1-CD1 3.94Å; M24-I28 WeakPolarHBondContact O-CB 3.45Å; M24-I28 WeakPolarHBondContact O-CD1 3.48Å; M24-I28 VanDerWaalsContact O-CG1 3.23Å; M24-I28 WeakPolarHBondContact O-CG1 3.19Å; M24-I28 PolarHBondContact O-N 3.3Å; S26-I28 PolarHBondContact O-N 3.33Å; I28-Y31 PolarHBondContact O-N 2.91Å; I28-L32 HydrophobicContact CG2-CD1 3.99Å; I28-L32 WeakPolarHBondContact O-CG 3.21Å; I28-L32 PolarHBondContact O-N 3.21Å; I28-L89 HydrophobicContact CG1-CD2 4.21Å
29	T	91.6	Very high	91.8	Very high	87 Å²	87	72.5 Å²	72.5	53%	0.534	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177.7	-56.6	0	0	0	0	111.8	Q25 S26 R27 Y31 L32 Q33	Q25-T29 WeakPolarHBondContact O-CB 2.84Å; Q25-T29 PolarHBondContact O-N 2.96Å; Q25-T29 PolarHBondContact O-OG1 2.95Å; S26-T29 WeakPolarHBondContact O-CB 3.36Å; S26-T29 PolarHBondContact O-N 3.45Å; R27-T29 VanDerWaalsContact C-N 3.35Å; T29-Y31 PolarHBondContact O-N 2.83Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-Q33 WeakPolarHBondContact O-CB 3.43Å; T29-Q33 PolarHBondContact O-N 2.78Å
30	A	90.3	Very high	92.3	Very high	46 Å²	46	67.3 Å²	67.3	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-42	176.1	0	0	0	0	0	112.2	S26 R27 Q33 S34	S26-A30 PolarHBondContact O-N 3.46Å; R27-A30 PolarHBondContact O-N 3.27Å; A30-Q33 PolarHBondContact O-N 2.59Å; A30-S34 PolarHBondContact O-N 2.88Å
31	Y	94.5	Very high	92.7	Very high	70 Å²	70	66.1 Å²	66.1	28%	0.275	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-49.3	174.1	-173	-85.9	0	0	0	111.4	R27 I28 T29 Q33 S34 D35 R82 L86	R27-Y31 PolarHBondContact O-N 3.49Å; I28-Y31 PolarHBondContact O-N 2.91Å; T29-Y31 PolarHBondContact O-N 2.83Å; Y31-Q33 VanDerWaalsContact C-N 3.35Å; Y31-Q33 PolarHBondContact O-N 3.26Å; Y31-S34 WeakPolarHBondContact O-CB 3.26Å; Y31-S34 PolarHBondContact O-N 2.71Å; Y31-S34 PolarHBondContact O-OG 3.18Å; Y31-D35 PolarHBondContact O-N 2.97Å; Y31-D35 VanDerWaalsContact O-N 3.07Å; Y31-R82 HydrophobicContact CD2-CB 4.47Å; Y31-R82 HydrophobicContact CD2-CG 4.2Å; Y31-R82 HydrophobicContact CE2-CB 4.02Å; Y31-R82 HydrophobicContact CE2-CG 3.92Å; Y31-L86 HydrophobicContact CD2-CD2 3.9Å; Y31-L86 HydrophobicContact CD2-CG 3.97Å; Y31-L86 HydrophobicContact CE2-CD1 3.7Å; Y31-L86 HydrophobicContact CE2-CD2 3.77Å; Y31-L86 HydrophobicContact CE2-CG 3.66Å
32	L	93.6	Very high	93	Very high	99 Å²	99	67.5 Å²	67.5	52%	0.518	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-37.2	178.3	-68.9	170.9	0	0	0	112.6	I28 T29 D35 L36	I28-L32 HydrophobicContact CG2-CD1 3.99Å; I28-L32 WeakPolarHBondContact O-CG 3.21Å; I28-L32 PolarHBondContact O-N 3.21Å; T29-L32 PolarHBondContact O-N 3.28Å; L32-D35 CarbonylContact O-C 3.45Å; L32-D35 WeakPolarHBondContact O-CA 3.31Å; L32-D35 VanDerWaalsContact O-CB 3.27Å; L32-D35 WeakPolarHBondContact O-CB 3.32Å; L32-D35 PolarHBondContact O-N 3.46Å; L32-L36 PolarHBondContact O-N 3.02Å
33	Q	93.1	Very high	93.4	Very high	116 Å²	116	65.7 Å²	65.7	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-42.4	174.1	-171.2	-178.5	11.8	0	0	111.6	T29 A30 Y31 D35 L36 Q37	T29-Q33 WeakPolarHBondContact O-CB 3.43Å; T29-Q33 PolarHBondContact O-N 2.78Å; A30-Q33 PolarHBondContact O-N 2.59Å; Y31-Q33 VanDerWaalsContact C-N 3.35Å; Y31-Q33 PolarHBondContact O-N 3.26Å; Q33-D35 PolarHBondContact O-N 3.48Å; Q33-L36 PolarHBondContact O-N 3.45Å; Q33-Q37 WeakPolarHBondContact O-CG 3.42Å; Q33-Q37 PolarHBondContact O-N 3.36Å; Q33-Q37 VanDerWaalsContact O-N 3.08Å
34	S	92.8	Very high	93.6	Very high	11 Å²	11	63.2 Å²	63.2	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-23	171.9	90.5	0	0	0	0	112.5	A30 Y31 Q38 R82	A30-S34 PolarHBondContact O-N 2.88Å; Y31-S34 WeakPolarHBondContact O-CB 3.26Å; Y31-S34 PolarHBondContact O-N 2.71Å; Y31-S34 PolarHBondContact O-OG 3.18Å; S34-Q38 WeakPolarHBondContact O-CB 3.39Å; S34-Q38 PolarHBondContact O-N 2.97Å; S34-R82 PolarHBondContact O-NH2 2.89Å; S34-R82 WeakPolarHBondContact OG-CG 3.45Å; S34-R82 PolarHBondContact OG-NE 2.76Å
35	D	95.3	Very high	93.9	Very high	36 Å²	36	63 Å²	63	19%	0.193	33%	0.325	C	S	.	.	H	α-helix	trans	-80.5	-30.5	177.5	-143.7	41.4	0	0	0	112.9	Y31 L32 Q33 R39 R82	Y31-D35 PolarHBondContact O-N 2.97Å; Y31-D35 VanDerWaalsContact O-N 3.07Å; L32-D35 CarbonylContact O-C 3.45Å; L32-D35 WeakPolarHBondContact O-CA 3.31Å; L32-D35 VanDerWaalsContact O-CB 3.27Å; L32-D35 WeakPolarHBondContact O-CB 3.32Å; L32-D35 PolarHBondContact O-N 3.46Å; Q33-D35 PolarHBondContact O-N 3.48Å; D35-R39 WeakPolarHBondContact O-CG 3.48Å; D35-R39 PolarHBondContact O-N 2.94Å; D35-R39 PolarHBondContact O-NH1 3.03Å; D35-R39 IonicContact OD1-NH1 3.29Å; D35-R39 IonicContact OD2-CZ 3.77Å; D35-R39 VanDerWaalsContact OD2-CZ 3.28Å; D35-R39 IonicContact OD2-NH1 2.88Å; D35-R39 PolarHBondContact OD2-NH1 3.46Å; D35-R39 IonicContact OD2-NH2 3.91Å; D35-R39 PolarHBondContact OD2-NH2 3.42Å; D35-R82 IonicContact OD1-CZ 2.71Å; D35-R82 IonicContact OD1-NH1 3.99Å; D35-R82 PolarHBondContact OD1-NH1 2.69Å; D35-R82 IonicContact OD1-NH2 3.79Å; D35-R82 PolarHBondContact OD1-NH2 3.49Å
36	L	94.6	Very high	94.1	Very high	123 Å²	123	67.9 Å²	67.9	64%	0.644	34%	0.34	S	S	*	.	H	α-helix	trans	-68.5	-46.7	165.2	-173.2	61.6	0	0	0	111.3	L32 Q33 Q38 R39 H40	L32-L36 PolarHBondContact O-N 3.02Å; Q33-L36 PolarHBondContact O-N 3.45Å; L36-Q38 PolarHBondContact O-N 2.98Å; L36-R39 PolarHBondContact O-N 3.32Å; L36-H40 PolarHBondContact O-N 3.13Å; L36-H40 VanDerWaalsContact O-N 3.13Å
37	Q	93.7	Very high	94.3	Very high	55 Å²	55	69 Å²	69	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-58.9	-44.4	179.4	-70.9	176.2	-13	0	0	112.7	Q33 H40 L41 I78 L416	Q33-Q37 WeakPolarHBondContact O-CG 3.42Å; Q33-Q37 PolarHBondContact O-N 3.36Å; Q33-Q37 VanDerWaalsContact O-N 3.08Å; Q37-H40 PolarHBondContact O-N 3.2Å; Q37-L41 PolarHBondContact O-N 3.35Å; Q37-I78 HydrophobicContact CB-CD1 3.74Å; Q37-L416 HydrophobicContact CG-CD1 4.37Å
38	Q	95.1	Very high	94.6	Very high	38 Å²	38	66.3 Å²	66.3	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-37.6	177.4	-176.1	173.1	-37.2	0	0	112.6	S34 L36 L41 L42 V75 I78 R82	S34-Q38 WeakPolarHBondContact O-CB 3.39Å; S34-Q38 PolarHBondContact O-N 2.97Å; L36-Q38 PolarHBondContact O-N 2.98Å; Q38-L41 PolarHBondContact O-N 3.35Å; Q38-L42 HydrophobicContact CG-CD1 3.94Å; Q38-L42 HydrophobicContact CG-CG 4.31Å; Q38-L42 WeakPolarHBondContact O-CB 3.04Å; Q38-L42 VanDerWaalsContact O-CG 3.26Å; Q38-L42 WeakPolarHBondContact O-CG 3.42Å; Q38-L42 PolarHBondContact O-N 2.98Å; Q38-V75 HydrophobicContact CG-CG1 4.33Å; Q38-I78 HydrophobicContact CB-CD1 4.44Å; Q38-I78 HydrophobicContact CB-CG2 4.25Å; Q38-R82 VanDerWaalsContact OE1-CZ 3.3Å
39	R	95.1	Very high	94.8	Very high	140 Å²	140	66 Å²	66	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-45.8	175.6	-77.1	176.8	-177.4	82.3	0.7	111.5	D35 L36 L42 T43	D35-R39 WeakPolarHBondContact O-CG 3.48Å; D35-R39 PolarHBondContact O-N 2.94Å; D35-R39 PolarHBondContact O-NH1 3.03Å; D35-R39 IonicContact OD1-NH1 3.29Å; D35-R39 IonicContact OD2-CZ 3.77Å; D35-R39 VanDerWaalsContact OD2-CZ 3.28Å; D35-R39 IonicContact OD2-NH1 2.88Å; D35-R39 PolarHBondContact OD2-NH1 3.46Å; D35-R39 IonicContact OD2-NH2 3.91Å; D35-R39 PolarHBondContact OD2-NH2 3.42Å; L36-R39 PolarHBondContact O-N 3.32Å; R39-L42 PolarHBondContact O-N 3.45Å; R39-T43 PolarHBondContact O-N 3.21Å; R39-T43 PolarHBondContact O-OG1 2.97Å
40	H	94.7	Very high	95	Very high	35 Å²	35	65.4 Å²	65.4	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-47.6	177.2	169.6	71.3	0	0	0	111.9	L36 Q37 L42 T43 L44 E409 I413	L36-H40 PolarHBondContact O-N 3.13Å; L36-H40 VanDerWaalsContact O-N 3.13Å; Q37-H40 PolarHBondContact O-N 3.2Å; H40-L42 VanDerWaalsContact C-N 3.31Å; H40-L42 PolarHBondContact O-N 2.9Å; H40-T43 WeakPolarHBondContact O-CA 3.32Å; H40-T43 VanDerWaalsContact O-CB 3.31Å; H40-T43 WeakPolarHBondContact O-CB 3.48Å; H40-T43 PolarHBondContact O-N 3.49Å; H40-L44 WeakPolarHBondContact NE2-CD1 3.44Å; H40-L44 PolarHBondContact O-N 3.14Å; H40-E409 VanDerWaalsContact CE1-CG 3.41Å; H40-E409 WeakPolarHBondContact CE1-CG 3.12Å; H40-E409 IonicContact CE1-OE1 3.46Å; H40-E409 PolarHBondContact CE1-OE1 3.42Å; H40-E409 IonicContact ND1-OE1 2.82Å; H40-E409 PolarHBondContact ND1-OE1 3.33Å; H40-I413 VanDerWaalsContact NE2-CG1 3.28Å; H40-I413 WeakPolarHBondContact NE2-CG1 3.43Å
41	L	96.3	Very high	95.2	Very high	31 Å²	31	66.9 Å²	66.9	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-60.4	-37.3	175.4	-71.7	177.1	0	0	0	113	Q37 Q38 T43 L44 A45 V71 A74 V75 I78	Q37-L41 PolarHBondContact O-N 3.35Å; Q38-L41 PolarHBondContact O-N 3.35Å; L41-T43 VanDerWaalsContact C-N 3.27Å; L41-T43 PolarHBondContact O-N 3.38Å; L41-L44 HydrophobicContact CD2-CD1 4.49Å; L41-L44 PolarHBondContact O-N 3.11Å; L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3Å; L41-V71 HydrophobicContact CB-CG1 4.3Å; L41-V71 HydrophobicContact CD2-CG1 4.43Å; L41-V71 WeakPolarHBondContact O-CG1 3.25Å; L41-A74 HydrophobicContact CD1-CB 3.74Å; L41-A74 HydrophobicContact CD2-CB 4.34Å; L41-V75 HydrophobicContact CB-CG2 3.62Å; L41-V75 HydrophobicContact CD1-CG2 4.05Å; L41-I78 HydrophobicContact CD1-CD1 3.67Å
42	L	96.3	Very high	95.1	Very high	72 Å²	72	65.5 Å²	65.5	38%	0.377	31%	0.312	S	S	.	.	H	α-helix	trans	-69.6	-24.3	174.4	-72.1	172.6	0	0	0	112.9	Q38 R39 H40 R46 V75	Q38-L42 HydrophobicContact CG-CD1 3.94Å; Q38-L42 HydrophobicContact CG-CG 4.31Å; Q38-L42 WeakPolarHBondContact O-CB 3.04Å; Q38-L42 VanDerWaalsContact O-CG 3.26Å; Q38-L42 WeakPolarHBondContact O-CG 3.42Å; Q38-L42 PolarHBondContact O-N 2.98Å; R39-L42 PolarHBondContact O-N 3.45Å; H40-L42 VanDerWaalsContact C-N 3.31Å; H40-L42 PolarHBondContact O-N 2.9Å; L42-R46 WeakPolarHBondContact O-CG 3.4Å; L42-R46 PolarHBondContact O-N 2.91Å; L42-V75 HydrophobicContact CD2-CG1 4.47Å; L42-V75 HydrophobicContact CD2-CG2 4.35Å; L42-V75 HydrophobicContact CG-CG2 4.48Å
43	T	96.4	Very high	95.2	Very high	57 Å²	57	67.3 Å²	67.3	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-73.1	-44.9	171	-57.2	0	0	0	0	110.5	R39 H40 L41 A45 R46 R47	R39-T43 PolarHBondContact O-N 3.21Å; R39-T43 PolarHBondContact O-OG1 2.97Å; H40-T43 WeakPolarHBondContact O-CA 3.32Å; H40-T43 VanDerWaalsContact O-CB 3.31Å; H40-T43 WeakPolarHBondContact O-CB 3.48Å; H40-T43 PolarHBondContact O-N 3.49Å; L41-T43 VanDerWaalsContact C-N 3.27Å; L41-T43 PolarHBondContact O-N 3.38Å; T43-A45 VanDerWaalsContact C-N 3.32Å; T43-A45 PolarHBondContact O-N 3.09Å; T43-R46 WeakPolarHBondContact O-CB 3.27Å; T43-R46 PolarHBondContact O-N 3.39Å; T43-R46 VanDerWaalsContact O-N 3.09Å; T43-R47 PolarHBondContact O-N 3.36Å
44	L	95.9	Very high	95.2	Very high	33 Å²	33	69.6 Å²	69.6	17%	0.173	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-39.7	171.9	-64.5	-175.9	0	0	0	112.4	H40 L41 R46 R47 T48 I413	H40-L44 WeakPolarHBondContact NE2-CD1 3.44Å; H40-L44 PolarHBondContact O-N 3.14Å; L41-L44 HydrophobicContact CD2-CD1 4.49Å; L41-L44 PolarHBondContact O-N 3.11Å; L44-R46 PolarHBondContact O-N 3.32Å; L44-R47 PolarHBondContact O-N 3.49Å; L44-T48 WeakPolarHBondContact O-CB 3.46Å; L44-T48 WeakPolarHBondContact O-CG2 3.34Å; L44-T48 PolarHBondContact O-N 2.93Å; L44-T48 PolarHBondContact O-OG1 3.42Å; L44-I413 HydrophobicContact CD1-CD1 4.11Å; L44-I413 HydrophobicContact CD2-CD1 4.44Å
45	A	96.4	Very high	95.1	Very high	12 Å²	12	70 Å²	70	10%	0.099	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-26.2	175.3	0	0	0	0	0	113.3	L41 T43 T48 V49 L68 V71	L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3Å; T43-A45 VanDerWaalsContact C-N 3.32Å; T43-A45 PolarHBondContact O-N 3.09Å; A45-T48 PolarHBondContact O-OG1 2.81Å; A45-V49 WeakPolarHBondContact O-CB 3.44Å; A45-V49 WeakPolarHBondContact O-CG2 3.35Å; A45-L68 HydrophobicContact CB-CD1 4.17Å; A45-V71 HydrophobicContact CB-CG1 3.85Å
46	R	97.2	Very high	95	Very high	177 Å²	177	74.5 Å²	74.5	67%	0.668	36%	0.357	S	S	*	.	H	α-helix	trans	-78.3	-54.3	172.7	-71	167.7	-178.8	-79.8	2.6	110.9	L42 T43 L44 T48 V49 D50	L42-R46 WeakPolarHBondContact O-CG 3.4Å; L42-R46 PolarHBondContact O-N 2.91Å; T43-R46 WeakPolarHBondContact O-CB 3.27Å; T43-R46 PolarHBondContact O-N 3.39Å; T43-R46 VanDerWaalsContact O-N 3.09Å; L44-R46 PolarHBondContact O-N 3.32Å; R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 3.46Å; R46-V49 WeakPolarHBondContact O-CA 3.38Å; R46-V49 PolarHBondContact O-N 3.31Å; R46-D50 PolarHBondContact O-N 3.49Å
47	R	96.2	Very high	95	Very high	103 Å²	103	74.1 Å²	74.1	39%	0.389	35%	0.352	S	S	.	.	H	α-helix	trans	-49.7	-50.7	178.3	-66.9	-179.7	-172.7	156.9	1.9	111.4	T43 L44 V49 D50 E51 E409	T43-R47 PolarHBondContact O-N 3.36Å; L44-R47 PolarHBondContact O-N 3.49Å; R47-V49 VanDerWaalsContact C-N 3.34Å; R47-V49 PolarHBondContact O-N 3.06Å; R47-D50 PolarHBondContact O-N 3.08Å; R47-D50 VanDerWaalsContact O-N 3.13Å; R47-E51 WeakPolarHBondContact O-CB 3.44Å; R47-E51 VanDerWaalsContact O-CD 3.24Å; R47-E51 VanDerWaalsContact O-CG 3.22Å; R47-E51 WeakPolarHBondContact O-CG 3.26Å; R47-E51 PolarHBondContact O-N 3.47Å; R47-E409 IonicContact CZ-OE2 2.73Å; R47-E409 VanDerWaalsContact CZ-OE2 3.29Å; R47-E409 IonicContact NH1-OE1 3.11Å; R47-E409 IonicContact NH1-OE2 3.52Å; R47-E409 PolarHBondContact NH1-OE2 2.95Å; R47-E409 IonicContact NH2-OE1 2.71Å; R47-E409 IonicContact NH2-OE2 3.4Å; R47-E409 PolarHBondContact NH2-OE2 3.46Å
48	T	95.3	Very high	94.9	Very high	3 Å²	3	78.8 Å²	78.8	2%	0.018	37%	0.374	C	S	.	.	H	α-helix	trans	-64	-30.7	178.5	51.1	0	0	0	0	114.8	L44 A45 R46 E51 M52 Q67	L44-T48 WeakPolarHBondContact O-CB 3.46Å; L44-T48 WeakPolarHBondContact O-CG2 3.34Å; L44-T48 PolarHBondContact O-N 2.93Å; L44-T48 PolarHBondContact O-OG1 3.42Å; A45-T48 PolarHBondContact O-OG1 2.81Å; R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 3.46Å; T48-E51 WeakPolarHBondContact CA-OE2 3.31Å; T48-M52 WeakPolarHBondContact O-CB 3.5Å; T48-M52 PolarHBondContact O-N 2.92Å; T48-Q67 VanDerWaalsContact CG2-CD 3.44Å; T48-Q67 HydrophobicContact CG2-CG 3.95Å
49	V	96.2	Very high	94.8	Very high	41 Å²	41	80.3 Å²	80.3	25%	0.248	39%	0.388	C	S	.	.	H	α-helix	trans	-74	-37.1	173.5	162.6	0	0	0	0	111.5	A45 R46 R47 M52 Q53 L68	A45-V49 WeakPolarHBondContact O-CB 3.44Å; A45-V49 WeakPolarHBondContact O-CG2 3.35Å; R46-V49 WeakPolarHBondContact O-CA 3.38Å; R46-V49 PolarHBondContact O-N 3.31Å; R47-V49 VanDerWaalsContact C-N 3.34Å; R47-V49 PolarHBondContact O-N 3.06Å; V49-M52 HydrophobicContact CG2-CE 4.39Å; V49-Q53 VanDerWaalsContact CG1-NE2 3.26Å; V49-Q53 VanDerWaalsContact O-CG 3.31Å; V49-Q53 WeakPolarHBondContact O-CG 3.28Å; V49-Q53 PolarHBondContact O-N 3.43Å; V49-Q53 PolarHBondContact O-NE2 2.82Å; V49-L68 HydrophobicContact CG2-CD1 4Å; V49-L68 HydrophobicContact CG2-CD2 3.67Å; V49-L68 HydrophobicContact CG2-CG 4.48Å
50	D	96.2	Very high	94.7	Very high	76 Å²	76	75.6 Å²	75.6	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-71.7	-39.6	177.7	-60.3	-29.5	0	0	0	111.2	R46 R47 Q53 K54	R46-D50 PolarHBondContact O-N 3.49Å; R47-D50 PolarHBondContact O-N 3.08Å; R47-D50 VanDerWaalsContact O-N 3.13Å; D50-Q53 PolarHBondContact O-N 2.9Å; D50-K54 WeakPolarHBondContact O-CD 3.43Å; D50-K54 VanDerWaalsContact O-CG 3.25Å; D50-K54 WeakPolarHBondContact O-CG 3.41Å; D50-K54 PolarHBondContact O-N 2.79Å
51	E	94.3	Very high	94.7	Very high	77 Å²	77	77.3 Å²	77.3	36%	0.36	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-46.2	171.8	-69.4	153.2	-170.6	0	0	111.6	R47 T48 Q53 K54 S55 H64	R47-E51 WeakPolarHBondContact O-CB 3.44Å; R47-E51 VanDerWaalsContact O-CD 3.24Å; R47-E51 VanDerWaalsContact O-CG 3.22Å; R47-E51 WeakPolarHBondContact O-CG 3.26Å; R47-E51 PolarHBondContact O-N 3.47Å; T48-E51 WeakPolarHBondContact CA-OE2 3.31Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.49Å; E51-K54 PolarHBondContact O-N 3.01Å; E51-S55 WeakPolarHBondContact O-CB 3.44Å; E51-S55 PolarHBondContact O-N 3.02Å; E51-H64 IonicContact OE2-CD2 3.16Å
52	M	93.3	Very high	94.6	Very high	40 Å²	40	83.4 Å²	83.4	20%	0.197	40%	0.403	C	S	.	.	H	α-helix	trans	-58.7	-39.5	174.5	-177.3	179.4	59.6	0	0	112.3	T48 V49 S55 K61 H64 L65	T48-M52 WeakPolarHBondContact O-CB 3.5Å; T48-M52 PolarHBondContact O-N 2.92Å; V49-M52 HydrophobicContact CG2-CE 4.39Å; M52-S55 PolarHBondContact O-OG 2.9Å; M52-K61 HydrophobicContact CG-CG 4.37Å; M52-H64 HydrophobicContact CB-CB 3.77Å; M52-H64 HydrophobicContact CG-CB 4.22Å; M52-L65 HydrophobicContact CE-CD2 4.46Å; M52-L65 HydrophobicContact SD-CD2 3.52Å; M52-L65 VanDerWaalsContact SD-CD2 3.52Å; M52-L65 HydrophobicContact SD-CG 3.67Å
53	Q	94.1	Very high	94.6	Very high	137 Å²	137	84 Å²	84	64%	0.64	40%	0.403	S	S	*	.	H	α-helix	trans	-68.7	-41	176.4	-77.2	175.3	62.3	0	0	112.8	V49 D50 E51	V49-Q53 VanDerWaalsContact CG1-NE2 3.26Å; V49-Q53 VanDerWaalsContact O-CG 3.31Å; V49-Q53 WeakPolarHBondContact O-CG 3.28Å; V49-Q53 PolarHBondContact O-N 3.43Å; V49-Q53 PolarHBondContact O-NE2 2.82Å; D50-Q53 PolarHBondContact O-N 2.9Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.49Å
54	K	94.1	Very high	94.5	Very high	165 Å²	165	82.9 Å²	82.9	72%	0.717	39%	0.393	S	S	*	.	H	α-helix	trans	-67.8	-35.2	176.5	-70.1	163.9	-173.9	173.7	0	112.5	D50 E51	D50-K54 WeakPolarHBondContact O-CD 3.43Å; D50-K54 VanDerWaalsContact O-CG 3.25Å; D50-K54 WeakPolarHBondContact O-CG 3.41Å; D50-K54 PolarHBondContact O-N 2.79Å; E51-K54 PolarHBondContact O-N 3.01Å
55	S	91.3	Very high	94.4	Very high	19 Å²	19	85.8 Å²	85.8	13%	0.133	41%	0.408	C	S	.	.			trans	-63.2	138.1	-176.9	70.4	0	0	0	0	112	E51 M52 K61	E51-S55 WeakPolarHBondContact O-CB 3.44Å; E51-S55 PolarHBondContact O-N 3.02Å; M52-S55 PolarHBondContact O-OG 2.9Å; S55-K61 WeakPolarHBondContact O-CE 3.35Å; S55-K61 PolarHBondContact O-NZ 3.22Å; S55-K61 WeakPolarHBondContact OG-CG 3.48Å
56	V	93.2	Very high	94.3	Very high	130 Å²	130	88.3 Å²	88.3	79%	0.788	42%	0.42	S	S	*	.			trans	-90	-49.8	175.8	-179.4	0	0	0	0	110.6	K61	V56-K61 PolarHBondContact O-NZ 3.03Å
57	E	93.2	Very high	94.2	Very high	116 Å²	116	84.2 Å²	84.2	54%	0.542	41%	0.409	S	S	.	.			trans	-65	149.3	-171.5	-43.9	-171.5	150.6	0	0	114.8	S59 T60 K61	E57-S59 WeakPolarHBondContact CB-OG 3.46Å; E57-S59 PolarHBondContact OE2-OG 2.91Å; E57-T60 PolarHBondContact O-OG1 3.1Å; E57-K61 WeakPolarHBondContact O-CB 3.43Å; E57-K61 VanDerWaalsContact O-CG 3.29Å; E57-K61 WeakPolarHBondContact O-CG 3.28Å; E57-K61 PolarHBondContact O-N 3.37Å; E57-K61 VanDerWaalsContact O-N 3.15Å
58	H	92.3	Very high	94.2	Very high	153 Å²	153	80.6 Å²	80.6	71%	0.708	40%	0.397	S	S	*	.	H	α-helix	trans	-73.5	-30.9	174.5	-175.1	-81.2	0	0	0	112.8	R62	H58-R62 WeakPolarHBondContact O-CB 3.35Å; H58-R62 PolarHBondContact O-N 3.08Å
59	S	92.9	Very high	94.2	Very high	70 Å²	70	85.1 Å²	85.1	49%	0.49	42%	0.419	S	S	.	.	H	α-helix	trans	-53.9	-57.3	171.4	29	0	0	0	0	111.6	E57 R62 K63	E57-S59 WeakPolarHBondContact CB-OG 3.46Å; E57-S59 PolarHBondContact OE2-OG 2.91Å; S59-R62 PolarHBondContact O-N 2.88Å; S59-K63 PolarHBondContact O-N 3.16Å
60	T	93.7	Very high	94.1	Very high	40 Å²	40	90.3 Å²	90.3	25%	0.245	44%	0.435	C	S	.	.	H	α-helix	trans	-69.6	-43.1	-179.2	52.5	0	0	0	0	111.3	E57 R62 K63 H64	E57-T60 PolarHBondContact O-OG1 3.1Å; T60-R62 PolarHBondContact O-N 3.27Å; T60-K63 WeakPolarHBondContact O-CB 3.4Å; T60-K63 PolarHBondContact O-N 3.42Å; T60-H64 PolarHBondContact O-N 2.77Å; T60-H64 PolarHBondContact O-ND1 3.07Å
61	K	94.5	Very high	94	Very high	71 Å²	71	87.3 Å²	87.3	31%	0.309	42%	0.42	S	S	.	.	H	α-helix	trans	-51.8	-41.1	172.7	-78.2	175.5	172.8	131	0	112.9	M52 S55 V56 E57 H64 L65	M52-K61 HydrophobicContact CG-CG 4.37Å; S55-K61 WeakPolarHBondContact O-CE 3.35Å; S55-K61 PolarHBondContact O-NZ 3.22Å; S55-K61 WeakPolarHBondContact OG-CG 3.48Å; V56-K61 PolarHBondContact O-NZ 3.03Å; E57-K61 WeakPolarHBondContact O-CB 3.43Å; E57-K61 VanDerWaalsContact O-CG 3.29Å; E57-K61 WeakPolarHBondContact O-CG 3.28Å; E57-K61 PolarHBondContact O-N 3.37Å; E57-K61 VanDerWaalsContact O-N 3.15Å; K61-H64 PolarHBondContact O-N 2.76Å; K61-L65 WeakPolarHBondContact O-CG 3.4Å; K61-L65 PolarHBondContact O-N 2.69Å
62	R	94.4	Very high	94.1	Very high	159 Å²	159	88 Å²	88	60%	0.6	43%	0.426	S	S	*	.	H	α-helix	trans	-65	-43	176.2	-170.5	174.6	-177.2	162.7	4.9	112.7	H58 S59 T60 H64 L65 D66	H58-R62 WeakPolarHBondContact O-CB 3.35Å; H58-R62 PolarHBondContact O-N 3.08Å; S59-R62 PolarHBondContact O-N 2.88Å; T60-R62 PolarHBondContact O-N 3.27Å; R62-H64 PolarHBondContact O-N 2.95Å; R62-L65 PolarHBondContact O-N 3.02Å; R62-D66 PolarHBondContact O-N 2.93Å
63	K	94.8	Very high	94.2	Very high	86 Å²	86	89.6 Å²	89.6	37%	0.374	44%	0.437	S	S	.	.	H	α-helix	trans	-55.4	-49.6	173.4	-66.3	-169.7	174.7	-177.5	0	111.4	S59 T60 L65 D66 Q67 E351 Y355	S59-K63 PolarHBondContact O-N 3.16Å; T60-K63 WeakPolarHBondContact O-CB 3.4Å; T60-K63 PolarHBondContact O-N 3.42Å; K63-L65 PolarHBondContact O-N 3.39Å; K63-D66 PolarHBondContact O-N 3.43Å; K63-Q67 WeakPolarHBondContact O-CB 3.24Å; K63-Q67 PolarHBondContact O-N 3.41Å; K63-E351 IonicContact NZ-OE1 2.76Å; K63-Y355 HydrophobicContact CD-CE2 4.17Å
64	H	95.1	Very high	94.3	Very high	33 Å²	33	84.4 Å²	84.4	15%	0.153	42%	0.418	C	S	.	.	H	α-helix	trans	-66.3	-34.7	-179.6	-59.4	93.3	0	0	0	112.4	E51 M52 T60 K61 R62 Q67 L68	E51-H64 IonicContact OE2-CD2 3.16Å; M52-H64 HydrophobicContact CB-CB 3.77Å; M52-H64 HydrophobicContact CG-CB 4.22Å; T60-H64 PolarHBondContact O-N 2.77Å; T60-H64 PolarHBondContact O-ND1 3.07Å; K61-H64 PolarHBondContact O-N 2.76Å; R62-H64 PolarHBondContact O-N 2.95Å; H64-Q67 PolarHBondContact O-N 2.73Å; H64-L68 WeakPolarHBondContact O-CB 3.36Å; H64-L68 PolarHBondContact O-N 3.04Å
65	L	94.5	Very high	94.4	Very high	93 Å²	93	77.4 Å²	77.4	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-44.3	172.5	-77.2	170	0	0	0	112.5	M52 K61 R62 K63 L68 M69	M52-L65 HydrophobicContact CE-CD2 4.46Å; M52-L65 HydrophobicContact SD-CD2 3.52Å; M52-L65 VanDerWaalsContact SD-CD2 3.52Å; M52-L65 HydrophobicContact SD-CG 3.67Å; K61-L65 WeakPolarHBondContact O-CG 3.4Å; K61-L65 PolarHBondContact O-N 2.69Å; R62-L65 PolarHBondContact O-N 3.02Å; K63-L65 PolarHBondContact O-N 3.39Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-M69 WeakPolarHBondContact O-CB 3.35Å; L65-M69 PolarHBondContact O-N 3.2Å
66	D	93.9	Very high	94.6	Very high	66 Å²	66	81 Å²	81	35%	0.353	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-43	176.5	-70.1	-34.9	0	0	0	110.3	R62 K63 M69 Y70	R62-D66 PolarHBondContact O-N 2.93Å; K63-D66 PolarHBondContact O-N 3.43Å; D66-M69 WeakPolarHBondContact O-CB 3.33Å; D66-M69 PolarHBondContact O-N 3.32Å; D66-Y70 WeakPolarHBondContact O-CD2 3.27Å; D66-Y70 PolarHBondContact O-N 3.43Å; D66-Y70 VanDerWaalsContact O-N 3.11Å
67	Q	94.5	Very high	94.7	Very high	91 Å²	91	78.9 Å²	78.9	43%	0.425	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-46.1	174.7	-172.3	179.9	-2	0	0	112.6	T48 K63 H64 M69 Y70 V71	T48-Q67 VanDerWaalsContact CG2-CD 3.44Å; T48-Q67 HydrophobicContact CG2-CG 3.95Å; K63-Q67 WeakPolarHBondContact O-CB 3.24Å; K63-Q67 PolarHBondContact O-N 3.41Å; H64-Q67 PolarHBondContact O-N 2.73Å; Q67-M69 VanDerWaalsContact C-N 3.3Å; Q67-M69 PolarHBondContact O-N 3.11Å; Q67-Y70 PolarHBondContact O-N 3.12Å; Q67-Y70 VanDerWaalsContact O-N 3.14Å; Q67-V71 WeakPolarHBondContact O-CG2 3.47Å; Q67-V71 PolarHBondContact O-N 3.35Å
68	L	95.8	Very high	94.8	Very high	26 Å²	26	74.1 Å²	74.1	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-38.2	176.4	-179.9	62	0	0	0	111.4	A45 V49 H64 L65 V71 L72	A45-L68 HydrophobicContact CB-CD1 4.17Å; V49-L68 HydrophobicContact CG2-CD1 4Å; V49-L68 HydrophobicContact CG2-CD2 3.67Å; V49-L68 HydrophobicContact CG2-CG 4.48Å; H64-L68 WeakPolarHBondContact O-CB 3.36Å; H64-L68 PolarHBondContact O-N 3.04Å; L65-L68 PolarHBondContact O-N 3.17Å; L68-V71 PolarHBondContact O-N 3.21Å; L68-L72 HydrophobicContact CD1-CD1 4.12Å; L68-L72 HydrophobicContact CD1-CG 4.13Å; L68-L72 HydrophobicContact CG-CD1 3.94Å; L68-L72 HydrophobicContact CG-CG 4.38Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 VanDerWaalsContact O-CG 3.25Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 2.81Å
69	M	95.2	Very high	94.9	Very high	99 Å²	99	69.1 Å²	69.1	49%	0.488	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-46.2	172.2	177.3	-175.1	61.5	0	0	111.6	L65 D66 Q67 L72 V73	L65-M69 WeakPolarHBondContact O-CB 3.35Å; L65-M69 PolarHBondContact O-N 3.2Å; D66-M69 WeakPolarHBondContact O-CB 3.33Å; D66-M69 PolarHBondContact O-N 3.32Å; Q67-M69 VanDerWaalsContact C-N 3.3Å; Q67-M69 PolarHBondContact O-N 3.11Å; M69-L72 PolarHBondContact O-N 2.9Å; M69-V73 WeakPolarHBondContact O-CB 3.46Å; M69-V73 VanDerWaalsContact O-CG2 3.32Å; M69-V73 WeakPolarHBondContact O-CG2 3.33Å; M69-V73 PolarHBondContact O-N 3.05Å
70	Y	94.7	Very high	95	Very high	149 Å²	149	68.3 Å²	68.3	58%	0.584	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-44.5	176.1	-73.5	-67.6	0	0	0	112.3	D66 Q67 V73 A74	D66-Y70 WeakPolarHBondContact O-CD2 3.27Å; D66-Y70 PolarHBondContact O-N 3.43Å; D66-Y70 VanDerWaalsContact O-N 3.11Å; Q67-Y70 PolarHBondContact O-N 3.12Å; Q67-Y70 VanDerWaalsContact O-N 3.14Å; Y70-V73 PolarHBondContact O-N 3.26Å; Y70-A74 WeakPolarHBondContact O-CB 3.44Å; Y70-A74 PolarHBondContact O-N 2.92Å
71	V	95.1	Very high	95	Very high	14 Å²	14	72.3 Å²	72.3	9%	0.085	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-43.8	178.5	175.7	0	0	0	0	111.5	L41 A45 Q67 L68 V73 A74 V75	L41-V71 HydrophobicContact CB-CG1 4.3Å; L41-V71 HydrophobicContact CD2-CG1 4.43Å; L41-V71 WeakPolarHBondContact O-CG1 3.25Å; A45-V71 HydrophobicContact CB-CG1 3.85Å; Q67-V71 WeakPolarHBondContact O-CG2 3.47Å; Q67-V71 PolarHBondContact O-N 3.35Å; L68-V71 PolarHBondContact O-N 3.21Å; V71-V73 PolarHBondContact O-N 3.33Å; V71-A74 WeakPolarHBondContact O-CB 3.36Å; V71-A74 PolarHBondContact O-N 3.37Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.48Å
72	L	95.6	Very high	95	Very high	92 Å²	92	70 Å²	70	48%	0.482	34%	0.337	S	S	.	.	H	α-helix	trans	-65.9	-37.4	177.9	-70.9	172.3	0	0	0	112.5	L68 M69 V75 Q76	L68-L72 HydrophobicContact CD1-CD1 4.12Å; L68-L72 HydrophobicContact CD1-CG 4.13Å; L68-L72 HydrophobicContact CG-CD1 3.94Å; L68-L72 HydrophobicContact CG-CG 4.38Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 VanDerWaalsContact O-CG 3.25Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 2.81Å; M69-L72 PolarHBondContact O-N 2.9Å; L72-V75 PolarHBondContact O-N 3Å; L72-Q76 PolarHBondContact O-N 3.2Å
73	V	96	Very high	95	Very high	73 Å²	73	67.1 Å²	67.1	44%	0.442	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-38.6	172.4	169.2	0	0	0	0	111.1	M69 Y70 V71 Q76 N77	M69-V73 WeakPolarHBondContact O-CB 3.46Å; M69-V73 VanDerWaalsContact O-CG2 3.32Å; M69-V73 WeakPolarHBondContact O-CG2 3.33Å; M69-V73 PolarHBondContact O-N 3.05Å; Y70-V73 PolarHBondContact O-N 3.26Å; V71-V73 PolarHBondContact O-N 3.33Å; V73-Q76 PolarHBondContact O-N 3.45Å; V73-N77 VanDerWaalsContact O-CG 3.27Å; V73-N77 PolarHBondContact O-N 3.41Å; V73-N77 PolarHBondContact O-ND2 3.14Å; V73-N77 VanDerWaalsContact O-ND2 3.12Å
74	A	95.5	Very high	94.8	Very high	28 Å²	28	65.8 Å²	65.8	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-42.6	174.3	0	0	0	0	0	112.3	L41 Y70 V71 N77 I78	L41-A74 HydrophobicContact CD1-CB 3.74Å; L41-A74 HydrophobicContact CD2-CB 4.34Å; Y70-A74 WeakPolarHBondContact O-CB 3.44Å; Y70-A74 PolarHBondContact O-N 2.92Å; V71-A74 WeakPolarHBondContact O-CB 3.36Å; V71-A74 PolarHBondContact O-N 3.37Å; A74-N77 PolarHBondContact O-N 3.26Å; A74-I78 PolarHBondContact O-N 3.31Å; A74-I78 VanDerWaalsContact O-N 3.11Å
75	V	96.3	Very high	94.6	Very high	17 Å²	17	66.9 Å²	66.9	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-44.5	172.8	171.6	0	0	0	0	111.2	Q38 L41 L42 V71 L72 N77 I78 C79	Q38-V75 HydrophobicContact CG-CG1 4.33Å; L41-V75 HydrophobicContact CB-CG2 3.62Å; L41-V75 HydrophobicContact CD1-CG2 4.05Å; L42-V75 HydrophobicContact CD2-CG1 4.47Å; L42-V75 HydrophobicContact CD2-CG2 4.35Å; L42-V75 HydrophobicContact CG-CG2 4.48Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.48Å; L72-V75 PolarHBondContact O-N 3Å; V75-N77 VanDerWaalsContact C-N 3.33Å; V75-N77 PolarHBondContact O-N 3.16Å; V75-I78 PolarHBondContact O-N 2.95Å; V75-C79 PolarHBondContact O-N 2.9Å; V75-C79 PolarHBondContact O-SG 2.86Å
76	Q	95.5	Very high	94.6	Very high	96 Å²	96	66 Å²	66	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-43.2	175.3	-174.1	-176.3	-24.8	0	0	111.4	L72 V73 I78 C79 D80	L72-Q76 PolarHBondContact O-N 3.2Å; V73-Q76 PolarHBondContact O-N 3.45Å; Q76-I78 VanDerWaalsContact C-N 3.26Å; Q76-I78 PolarHBondContact O-N 3.36Å; Q76-C79 PolarHBondContact O-N 3.27Å; Q76-C79 VanDerWaalsContact O-N 3.17Å; Q76-D80 WeakPolarHBondContact O-CB 3.25Å; Q76-D80 PolarHBondContact O-N 3.3Å
77	N	95.1	Very high	94.6	Very high	84 Å²	84	67.5 Å²	67.5	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-32	178	-72.9	-38	0	0	0	112.9	V73 A74 V75 R81	V73-N77 VanDerWaalsContact O-CG 3.27Å; V73-N77 PolarHBondContact O-N 3.41Å; V73-N77 PolarHBondContact O-ND2 3.14Å; V73-N77 VanDerWaalsContact O-ND2 3.12Å; A74-N77 PolarHBondContact O-N 3.26Å; V75-N77 VanDerWaalsContact C-N 3.33Å; V75-N77 PolarHBondContact O-N 3.16Å; N77-R81 WeakPolarHBondContact O-CB 3.39Å; N77-R81 VanDerWaalsContact O-CG 3.25Å; N77-R81 WeakPolarHBondContact O-CG 3.27Å; N77-R81 PolarHBondContact O-N 2.89Å; N77-R81 VanDerWaalsContact O-N 3.11Å
78	I	95.1	Very high	94.4	Very high	16 Å²	16	67.1 Å²	67.1	8%	0.082	34%	0.339	C	S	.	.	H	α-helix	trans	-69.8	-48.1	172.1	-67.3	178	0	0	0	110.6	Q37 Q38 L41 A74 V75 Q76 D80 R81 R82	Q37-I78 HydrophobicContact CB-CD1 3.74Å; Q38-I78 HydrophobicContact CB-CD1 4.44Å; Q38-I78 HydrophobicContact CB-CG2 4.25Å; L41-I78 HydrophobicContact CD1-CD1 3.67Å; A74-I78 PolarHBondContact O-N 3.31Å; A74-I78 VanDerWaalsContact O-N 3.11Å; V75-I78 PolarHBondContact O-N 2.95Å; Q76-I78 VanDerWaalsContact C-N 3.26Å; Q76-I78 PolarHBondContact O-N 3.36Å; I78-D80 VanDerWaalsContact C-N 3.34Å; I78-D80 PolarHBondContact O-N 3.31Å; I78-R81 PolarHBondContact O-N 3.12Å; I78-R82 HydrophobicContact CG2-CG 4.42Å; I78-R82 WeakPolarHBondContact O-CG 3.32Å; I78-R82 PolarHBondContact O-N 3.43Å
79	C	95.2	Very high	94.3	Very high	48 Å²	48	67 Å²	67	32%	0.324	34%	0.338	S	S	.	.	H	α-helix	trans	-57.7	-45.1	176.3	-67.2	0	0	0	0	112.3	V75 Q76 R81 R82 I83	V75-C79 PolarHBondContact O-N 2.9Å; V75-C79 PolarHBondContact O-SG 2.86Å; Q76-C79 PolarHBondContact O-N 3.27Å; Q76-C79 VanDerWaalsContact O-N 3.17Å; C79-R81 VanDerWaalsContact C-N 3.34Å; C79-R81 PolarHBondContact O-N 2.97Å; C79-R82 PolarHBondContact O-N 3.38Å; C79-I83 WeakPolarHBondContact O-CG1 3.42Å; C79-I83 PolarHBondContact O-N 3.36Å
80	D	94.7	Very high	94.3	Very high	54 Å²	54	66.2 Å²	66.2	29%	0.289	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-35.8	178.3	-80.9	5	0	0	0	111.3	Q76 I78 N84 Y434	Q76-D80 WeakPolarHBondContact O-CB 3.25Å; Q76-D80 PolarHBondContact O-N 3.3Å; I78-D80 VanDerWaalsContact C-N 3.34Å; I78-D80 PolarHBondContact O-N 3.31Å; D80-N84 PolarHBondContact O-ND2 3.36Å; D80-Y434 PolarHBondContact OD2-OH 3.38Å
81	R	93.2	Very high	94.3	Very high	124 Å²	124	66 Å²	66	47%	0.468	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-54.2	173.2	-79	173.2	-174.7	-164.5	1	111.6	N77 I78 C79 I83 N84 D85	N77-R81 WeakPolarHBondContact O-CB 3.39Å; N77-R81 VanDerWaalsContact O-CG 3.25Å; N77-R81 WeakPolarHBondContact O-CG 3.27Å; N77-R81 PolarHBondContact O-N 2.89Å; N77-R81 VanDerWaalsContact O-N 3.11Å; I78-R81 PolarHBondContact O-N 3.12Å; C79-R81 VanDerWaalsContact C-N 3.34Å; C79-R81 PolarHBondContact O-N 2.97Å; R81-I83 PolarHBondContact O-N 2.77Å; R81-N84 WeakPolarHBondContact O-CA 3.25Å; R81-N84 WeakPolarHBondContact O-CB 3.47Å; R81-N84 PolarHBondContact O-N 3.45Å; R81-N84 PolarHBondContact O-ND2 2.95Å; R81-D85 VanDerWaalsContact C-OD2 3.24Å; R81-D85 PolarHBondContact O-N 3.12Å
82	R	94.4	Very high	94.2	Very high	22 Å²	22	65.9 Å²	65.9	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-51.2	-31.9	-178.6	-75.4	179.9	-170.3	-156.9	13.7	114.9	Y31 S34 D35 Q38 I78 C79 D85 L86	Y31-R82 HydrophobicContact CD2-CB 4.47Å; Y31-R82 HydrophobicContact CD2-CG 4.2Å; Y31-R82 HydrophobicContact CE2-CB 4.02Å; Y31-R82 HydrophobicContact CE2-CG 3.92Å; S34-R82 PolarHBondContact O-NH2 2.89Å; S34-R82 WeakPolarHBondContact OG-CG 3.45Å; S34-R82 PolarHBondContact OG-NE 2.76Å; D35-R82 IonicContact OD1-CZ 2.71Å; D35-R82 IonicContact OD1-NH1 3.99Å; D35-R82 PolarHBondContact OD1-NH1 2.69Å; D35-R82 IonicContact OD1-NH2 3.79Å; D35-R82 PolarHBondContact OD1-NH2 3.49Å; Q38-R82 VanDerWaalsContact OE1-CZ 3.3Å; I78-R82 HydrophobicContact CG2-CG 4.42Å; I78-R82 WeakPolarHBondContact O-CG 3.32Å; I78-R82 PolarHBondContact O-N 3.43Å; C79-R82 PolarHBondContact O-N 3.38Å; R82-D85 VanDerWaalsContact CA-OD2 3.25Å; R82-D85 WeakPolarHBondContact CA-OD2 3.36Å; R82-D85 PolarHBondContact N-OD2 3.02Å; R82-D85 PolarHBondContact O-N 2.92Å; R82-L86 VanDerWaalsContact O-CB 3.32Å; R82-L86 WeakPolarHBondContact O-CB 3.43Å; R82-L86 VanDerWaalsContact O-CG 3.27Å; R82-L86 WeakPolarHBondContact O-CG 3.49Å; R82-L86 PolarHBondContact O-N 3.47Å
83	I	93.8	Very high	94.1	Very high	98 Å²	98	65.2 Å²	65.2	50%	0.503	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-46.4	176.5	-67.4	165.6	0	0	0	109.7	C79 R81 L86 D87	C79-I83 WeakPolarHBondContact O-CG1 3.42Å; C79-I83 PolarHBondContact O-N 3.36Å; R81-I83 PolarHBondContact O-N 2.77Å; I83-L86 PolarHBondContact O-N 3.31Å; I83-D87 WeakPolarHBondContact O-CB 3.43Å; I83-D87 PolarHBondContact O-N 3.24Å
84	N	91.4	Very high	94.1	Very high	58 Å²	58	68.3 Å²	68.3	31%	0.31	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-43.3	172.6	-42.3	-103.6	0	0	0	111	D80 R81 L86 D87 E88	D80-N84 PolarHBondContact O-ND2 3.36Å; R81-N84 WeakPolarHBondContact O-CA 3.25Å; R81-N84 WeakPolarHBondContact O-CB 3.47Å; R81-N84 PolarHBondContact O-N 3.45Å; R81-N84 PolarHBondContact O-ND2 2.95Å; N84-L86 PolarHBondContact O-N 2.95Å; N84-D87 PolarHBondContact O-N 3.24Å; N84-E88 WeakPolarHBondContact O-CG 3.44Å; N84-E88 PolarHBondContact O-N 3.46Å
85	D	90.4	Very high	94	Very high	56 Å²	56	69.4 Å²	69.4	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-34	-178	-52.1	-40.1	0	0	0	111.9	R81 R82 L89	R81-D85 VanDerWaalsContact C-OD2 3.24Å; R81-D85 PolarHBondContact O-N 3.12Å; R82-D85 VanDerWaalsContact CA-OD2 3.25Å; R82-D85 WeakPolarHBondContact CA-OD2 3.36Å; R82-D85 PolarHBondContact N-OD2 3.02Å; R82-D85 PolarHBondContact O-N 2.92Å; D85-L89 WeakPolarHBondContact O-CB 3.5Å; D85-L89 PolarHBondContact O-N 2.87Å
86	L	94.5	Very high	93.7	Very high	76 Å²	76	70.9 Å²	70.9	40%	0.398	36%	0.357	S	S	.	.	H	α-helix	trans	-77.5	-42	173.4	-73.3	173.8	0	0	0	112.8	Y31 R82 I83 N84 E88 L89 D90	Y31-L86 HydrophobicContact CD2-CD2 3.9Å; Y31-L86 HydrophobicContact CD2-CG 3.97Å; Y31-L86 HydrophobicContact CE2-CD1 3.7Å; Y31-L86 HydrophobicContact CE2-CD2 3.77Å; Y31-L86 HydrophobicContact CE2-CG 3.66Å; R82-L86 VanDerWaalsContact O-CB 3.32Å; R82-L86 WeakPolarHBondContact O-CB 3.43Å; R82-L86 VanDerWaalsContact O-CG 3.27Å; R82-L86 WeakPolarHBondContact O-CG 3.49Å; R82-L86 PolarHBondContact O-N 3.47Å; I83-L86 PolarHBondContact O-N 3.31Å; N84-L86 PolarHBondContact O-N 2.95Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 2.99Å; L86-L89 PolarHBondContact O-N 2.71Å; L86-D90 PolarHBondContact O-N 3.26Å
87	D	94	Very high	93.6	Very high	96 Å²	96	69.9 Å²	69.9	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-59	-44.9	175.3	-72.6	-25.1	0	0	0	110.2	I83 N84 L89 D90 E91	I83-D87 WeakPolarHBondContact O-CB 3.43Å; I83-D87 PolarHBondContact O-N 3.24Å; N84-D87 PolarHBondContact O-N 3.24Å; D87-L89 PolarHBondContact O-N 2.96Å; D87-D90 PolarHBondContact O-N 3.44Å; D87-E91 PolarHBondContact O-N 3.11Å; D87-E91 VanDerWaalsContact O-N 3.12Å
88	E	91.7	Very high	93.6	Very high	84 Å²	84	70.6 Å²	70.6	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-69	-30.6	175.8	-67	-175.5	-154.4	0	0	113.1	R27 N84 L86 V92	R27-E88 IonicContact CZ-OE2 2.76Å; R27-E88 IonicContact NH1-OE2 3.28Å; R27-E88 PolarHBondContact NH1-OE2 3.24Å; R27-E88 IonicContact NH2-OE2 3.77Å; R27-E88 PolarHBondContact NH2-OE2 3.41Å; N84-E88 WeakPolarHBondContact O-CG 3.44Å; N84-E88 PolarHBondContact O-N 3.46Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 2.99Å; E88-V92 WeakPolarHBondContact O-CG2 3.35Å; E88-V92 PolarHBondContact O-N 3.28Å
89	L	94	Very high	93.4	Very high	22 Å²	22	74.9 Å²	74.9	12%	0.115	38%	0.382	C	S	.	.	H	α-helix	trans	-69.2	-38.2	172.9	177.6	59.3	0	0	0	111.5	M24 R27 I28 D85 L86 D87 V92 I93	M24-L89 HydrophobicContact CB-CD1 4.48Å; M24-L89 HydrophobicContact CG-CD1 4.4Å; R27-L89 HydrophobicContact CB-CD1 4.02Å; I28-L89 HydrophobicContact CG1-CD2 4.21Å; D85-L89 WeakPolarHBondContact O-CB 3.5Å; D85-L89 PolarHBondContact O-N 2.87Å; L86-L89 PolarHBondContact O-N 2.71Å; D87-L89 PolarHBondContact O-N 2.96Å; L89-V92 PolarHBondContact O-N 3.21Å; L89-I93 HydrophobicContact CD1-CD1 4.09Å; L89-I93 HydrophobicContact CD1-CG1 4.33Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 VanDerWaalsContact O-CG1 3.29Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I93 PolarHBondContact O-N 3.02Å
90	D	94.9	Very high	93.2	Very high	84 Å²	84	78.4 Å²	78.4	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176.2	-157.7	43.6	0	0	0	110.9	L86 D87 V92 I93 E94	L86-D90 PolarHBondContact O-N 3.26Å; D87-D90 PolarHBondContact O-N 3.44Å; D90-V92 VanDerWaalsContact C-N 3.3Å; D90-V92 PolarHBondContact O-N 2.99Å; D90-I93 PolarHBondContact O-N 3.2Å; D90-I93 VanDerWaalsContact O-N 3.11Å; D90-E94 PolarHBondContact O-N 3.42Å
91	E	94	Very high	93.2	Very high	144 Å²	144	80.1 Å²	80.1	67%	0.673	40%	0.404	S	S	*	.	H	α-helix	trans	-57.3	-40.4	173.1	-72.4	-168.5	178.6	0	0	112.6	D87 S95	D87-E91 PolarHBondContact O-N 3.11Å; D87-E91 VanDerWaalsContact O-N 3.12Å; E91-S95 WeakPolarHBondContact O-CB 3.35Å; E91-S95 PolarHBondContact O-N 2.92Å
92	V	92.8	Very high	93.1	Very high	11 Å²	11	77.8 Å²	77.8	7%	0.067	40%	0.401	C	S	.	.	H	α-helix	trans	-70.1	-36.4	176.6	174.5	0	0	0	0	111.6	E23 M24 E88 L89 D90 S95 H96	E23-V92 HydrophobicContact CG-CG1 4.3Å; E23-V92 HydrophobicContact CG-CG2 4.27Å; E23-V92 VanDerWaalsContact OE1-CG2 3.25Å; E23-V92 WeakPolarHBondContact OE1-CG2 3.46Å; M24-V92 HydrophobicContact CE-CG1 3.86Å; M24-V92 WeakPolarHBondContact CE-O 3.21Å; M24-V92 HydrophobicContact CG-CG1 3.74Å; E88-V92 WeakPolarHBondContact O-CG2 3.35Å; E88-V92 PolarHBondContact O-N 3.28Å; L89-V92 PolarHBondContact O-N 3.21Å; D90-V92 VanDerWaalsContact C-N 3.3Å; D90-V92 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-N 3.47Å; V92-H96 WeakPolarHBondContact O-CB 3.46Å; V92-H96 PolarHBondContact O-CD2 2.89Å; V92-H96 PolarHBondContact O-N 3.35Å
93	I	94.2	Very high	93	Very high	78 Å²	78	79.2 Å²	79.2	40%	0.4	42%	0.417	S	S	.	.	H	α-helix	trans	-66.9	-47.3	174.8	-70.7	167	0	0	0	111.1	M24 L89 D90 S95 H96 S97	M24-I93 HydrophobicContact CE-CB 4.35Å; M24-I93 HydrophobicContact CE-CG1 3.81Å; M24-I93 HydrophobicContact SD-CG1 4.36Å; L89-I93 HydrophobicContact CD1-CD1 4.09Å; L89-I93 HydrophobicContact CD1-CG1 4.33Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 VanDerWaalsContact O-CG1 3.29Å; L89-I93 WeakPolarHBondContact O-CG1 3.46Å; L89-I93 PolarHBondContact O-N 3.02Å; D90-I93 PolarHBondContact O-N 3.2Å; D90-I93 VanDerWaalsContact O-N 3.11Å; I93-S95 VanDerWaalsContact C-N 3.34Å; I93-S95 PolarHBondContact O-N 2.85Å; I93-H96 PolarHBondContact O-N 3.06Å; I93-S97 WeakPolarHBondContact O-CB 3.46Å; I93-S97 PolarHBondContact O-N 3.42Å
94	E	94.9	Very high	92.9	Very high	138 Å²	138	80.8 Å²	80.8	65%	0.645	42%	0.421	S	S	*	.	H	α-helix	trans	-59.5	-45.2	174	-71.7	-150.1	137.4	0	0	111.2	D90 H96 S97 L98	D90-E94 PolarHBondContact O-N 3.42Å; E94-H96 PolarHBondContact O-N 3.06Å; E94-S97 PolarHBondContact O-N 2.86Å; E94-L98 WeakPolarHBondContact O-CB 3.23Å; E94-L98 PolarHBondContact O-N 3.21Å
95	S	93.1	Very high	92.8	Very high	52 Å²	52	82.6 Å²	82.6	36%	0.364	43%	0.428	S	S	.	.	H	α-helix	trans	-57.6	-44.8	177.2	-178	0	0	0	0	112.5	E91 V92 I93 K99	E91-S95 WeakPolarHBondContact O-CB 3.35Å; E91-S95 PolarHBondContact O-N 2.92Å; V92-S95 PolarHBondContact O-N 3.47Å; I93-S95 VanDerWaalsContact C-N 3.34Å; I93-S95 PolarHBondContact O-N 2.85Å; S95-K99 WeakPolarHBondContact O-CD 3.33Å; S95-K99 WeakPolarHBondContact O-CG 3.4Å; S95-K99 PolarHBondContact O-N 3.02Å; S95-K99 PolarHBondContact OG-NZ 3.36Å
96	H	91.2	Very high	92.7	Very high	48 Å²	48	87.2 Å²	87.2	22%	0.222	45%	0.445	C	S	.	.	H	α-helix	trans	-75.9	-36.8	178	-84	-101.9	0	0	0	113.6	P21 M24 V92 I93 E94 L98 K99 L100	P21-H96 WeakPolarHBondContact CG-ND1 3.34Å; M24-H96 HydrophobicContact CE-CB 3.58Å; V92-H96 WeakPolarHBondContact O-CB 3.46Å; V92-H96 PolarHBondContact O-CD2 2.89Å; V92-H96 PolarHBondContact O-N 3.35Å; I93-H96 PolarHBondContact O-N 3.06Å; E94-H96 PolarHBondContact O-N 3.06Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 2.76Å; H96-K99 PolarHBondContact CD2-NZ 3.26Å; H96-K99 PolarHBondContact NE2-NZ 3.4Å; H96-K99 PolarHBondContact O-N 3.33Å; H96-L100 WeakPolarHBondContact O-CB 3.46Å; H96-L100 WeakPolarHBondContact O-CG 3.46Å; H96-L100 PolarHBondContact O-N 3.15Å
97	S	93.4	Very high	92.4	Very high	75 Å²	75	88.4 Å²	88.4	52%	0.524	46%	0.456	S	S	.	.	H	α-helix	trans	-57.7	-45.5	171.4	-175.2	0	0	0	0	111.3	I93 E94 L100 M101	I93-S97 WeakPolarHBondContact O-CB 3.46Å; I93-S97 PolarHBondContact O-N 3.42Å; E94-S97 PolarHBondContact O-N 2.86Å; S97-L100 PolarHBondContact O-N 3.11Å; S97-M101 WeakPolarHBondContact O-CB 3.34Å; S97-M101 PolarHBondContact O-N 3.05Å
98	L	94.4	Very high	91.8	Very high	98 Å²	98	88.9 Å²	88.9	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-67.8	-40.2	176.8	-176.6	59.8	0	0	0	112.7	E94 H96 L100 M101 N102	E94-L98 WeakPolarHBondContact O-CB 3.23Å; E94-L98 PolarHBondContact O-N 3.21Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 2.76Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3Å; L98-M101 PolarHBondContact O-N 2.71Å; L98-N102 WeakPolarHBondContact O-CB 3.29Å; L98-N102 VanDerWaalsContact O-CG 3.27Å; L98-N102 PolarHBondContact O-N 3.47Å; L98-N102 PolarHBondContact O-ND2 3.28Å
99	K	91.8	Very high	91.3	Very high	106 Å²	106	90.4 Å²	90.4	46%	0.461	47%	0.473	S	S	.	.	H	α-helix	trans	-57.4	-46.8	172.3	-73.5	159.8	-174.4	148.1	0	111	S95 H96 N102 A103	S95-K99 WeakPolarHBondContact O-CD 3.33Å; S95-K99 WeakPolarHBondContact O-CG 3.4Å; S95-K99 PolarHBondContact O-N 3.02Å; S95-K99 PolarHBondContact OG-NZ 3.36Å; H96-K99 PolarHBondContact CD2-NZ 3.26Å; H96-K99 PolarHBondContact NE2-NZ 3.4Å; H96-K99 PolarHBondContact O-N 3.33Å; K99-N102 PolarHBondContact O-N 2.71Å; K99-A103 WeakPolarHBondContact O-CB 3.43Å; K99-A103 PolarHBondContact O-N 3.13Å
100	L	91.6	Very high	90.2	Very high	123 Å²	123	95.7 Å²	95.7	64%	0.644	50%	0.5	S	S	*	.	H	α-helix	trans	-67.3	-40.8	179	-71.1	170.6	0	0	0	112.5	H96 S97 L98 N102 A103 K104	H96-L100 WeakPolarHBondContact O-CB 3.46Å; H96-L100 WeakPolarHBondContact O-CG 3.46Å; H96-L100 PolarHBondContact O-N 3.15Å; S97-L100 PolarHBondContact O-N 3.11Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3Å; L100-N102 PolarHBondContact O-N 3.39Å; L100-A103 PolarHBondContact O-N 3.02Å; L100-K104 WeakPolarHBondContact O-CB 3.44Å; L100-K104 PolarHBondContact O-N 3.28Å
101	M	92.7	Very high	88.5	Confident	89 Å²	89	97.7 Å²	97.7	44%	0.438	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-43.7	175.3	-176.4	168.6	178.4	0	0	111.7	S97 L98 K104 M105	S97-M101 WeakPolarHBondContact O-CB 3.34Å; S97-M101 PolarHBondContact O-N 3.05Å; L98-M101 PolarHBondContact O-N 2.71Å; M101-K104 PolarHBondContact O-N 3.12Å; M101-M105 HydrophobicContact CE-CE 3.56Å; M101-M105 HydrophobicContact CG-CE 4.18Å; M101-M105 WeakPolarHBondContact O-CG 3.37Å; M101-M105 PolarHBondContact O-N 3.29Å
102	N	92.9	Very high	86.7	Confident	76 Å²	76	95.8 Å²	95.8	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-69.2	-35	175.9	-71.4	-36.5	0	0	0	112.8	L98 K99 L100 K106	L98-N102 WeakPolarHBondContact O-CB 3.29Å; L98-N102 VanDerWaalsContact O-CG 3.27Å; L98-N102 PolarHBondContact O-N 3.47Å; L98-N102 PolarHBondContact O-ND2 3.28Å; K99-N102 PolarHBondContact O-N 2.71Å; L100-N102 PolarHBondContact O-N 3.39Å; N102-K106 WeakPolarHBondContact O-CG 3.45Å; N102-K106 PolarHBondContact O-N 2.92Å
103	A	91	Very high	84.6	Confident	51 Å²	51	103.3 Å²	103.3	42%	0.421	55%	0.546	S	S	.	.	H	α-helix	trans	-66.8	-44.9	173.9	0	0	0	0	0	111.1	K99 L100 M105 K106 V107	K99-A103 WeakPolarHBondContact O-CB 3.43Å; K99-A103 PolarHBondContact O-N 3.13Å; L100-A103 PolarHBondContact O-N 3.02Å; A103-M105 PolarHBondContact O-N 3.43Å; A103-K106 WeakPolarHBondContact O-CB 3.44Å; A103-K106 PolarHBondContact O-N 3.08Å; A103-K106 VanDerWaalsContact O-N 3.16Å; A103-V107 PolarHBondContact O-N 3.15Å; A103-V107 VanDerWaalsContact O-N 3.13Å
104	K	91.4	Very high	82.6	Confident	132 Å²	132	110.3 Å²	110.3	57%	0.574	57%	0.567	S	S	*	*	H	α-helix	trans	-58.5	-48.2	175	173.8	161.7	-180	163	0	111.7	L100 M101 K106 V107 D108	L100-K104 WeakPolarHBondContact O-CB 3.44Å; L100-K104 PolarHBondContact O-N 3.28Å; M101-K104 PolarHBondContact O-N 3.12Å; K104-K106 PolarHBondContact O-N 3.11Å; K104-K106 VanDerWaalsContact O-N 3.17Å; K104-V107 PolarHBondContact O-N 3.21Å; K104-D108 VanDerWaalsContact CE-OD1 3.28Å; K104-D108 WeakPolarHBondContact CE-OD1 3.35Å; K104-D108 WeakPolarHBondContact CE-OD2 3.35Å; K104-D108 VanDerWaalsContact CG-OD2 3.29Å; K104-D108 WeakPolarHBondContact CG-OD2 3.36Å; K104-D108 WeakPolarHBondContact O-CB 3.45Å; K104-D108 VanDerWaalsContact O-CG 3.31Å; K104-D108 PolarHBondContact O-N 2.88Å
105	M	90.3	Very high	80.1	Confident	96 Å²	96	108.9 Å²	108.9	47%	0.473	57%	0.568	S	S	.	*	H	α-helix	trans	-55.1	-36.2	176.7	-74.2	177.3	178.5	0	0	113	M101 A103 T109	M101-M105 HydrophobicContact CE-CE 3.56Å; M101-M105 HydrophobicContact CG-CE 4.18Å; M101-M105 WeakPolarHBondContact O-CG 3.37Å; M101-M105 PolarHBondContact O-N 3.29Å; A103-M105 PolarHBondContact O-N 3.43Å; M105-T109 WeakPolarHBondContact O-CB 3.38Å; M105-T109 PolarHBondContact O-N 3.33Å; M105-T109 VanDerWaalsContact O-N 3.16Å; M105-T109 PolarHBondContact O-OG1 3.43Å
106	K	89	Confident	77.9	Confident	152 Å²	152	114.8 Å²	114.8	66%	0.661	59%	0.589	S	S	*	*	H	α-helix	trans	-69.5	-37.8	176	-70	173.5	180	-176	0	112.8	N102 A103 K104 T109 I110	N102-K106 WeakPolarHBondContact O-CG 3.45Å; N102-K106 PolarHBondContact O-N 2.92Å; A103-K106 WeakPolarHBondContact O-CB 3.44Å; A103-K106 PolarHBondContact O-N 3.08Å; A103-K106 VanDerWaalsContact O-N 3.16Å; K104-K106 PolarHBondContact O-N 3.11Å; K104-K106 VanDerWaalsContact O-N 3.17Å; K106-T109 PolarHBondContact O-N 3Å; K106-I110 WeakPolarHBondContact O-CG1 3.31Å
107	V	86.4	Confident	75.7	Confident	101 Å²	101	117.1 Å²	117.1	61%	0.612	61%	0.611	S	S	*	*	H	α-helix	trans	-68.5	-46.3	174.4	176.9	0	0	0	0	110.5	A103 K104 T109 I110	A103-V107 PolarHBondContact O-N 3.15Å; A103-V107 VanDerWaalsContact O-N 3.13Å; K104-V107 PolarHBondContact O-N 3.21Å; V107-T109 PolarHBondContact O-N 3.26Å; V107-I110 PolarHBondContact O-N 3.37Å
108	D	83.1	Confident	73.2	Confident	107 Å²	107	121.6 Å²	121.6	57%	0.572	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-13.1	176.6	-63.6	-13.1	0	0	0	113.1	K104	K104-D108 VanDerWaalsContact CE-OD1 3.28Å; K104-D108 WeakPolarHBondContact CE-OD1 3.35Å; K104-D108 WeakPolarHBondContact CE-OD2 3.35Å; K104-D108 VanDerWaalsContact CG-OD2 3.29Å; K104-D108 WeakPolarHBondContact CG-OD2 3.36Å; K104-D108 WeakPolarHBondContact O-CB 3.45Å; K104-D108 VanDerWaalsContact O-CG 3.31Å; K104-D108 PolarHBondContact O-N 2.88Å
109	T	80.9	Confident	70.8	Confident	115 Å²	115	120.7 Å²	120.7	71%	0.706	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-11.5	174.5	-54.6	0	0	0	0	112.7	M105 K106 V107 D111	M105-T109 WeakPolarHBondContact O-CB 3.38Å; M105-T109 PolarHBondContact O-N 3.33Å; M105-T109 VanDerWaalsContact O-N 3.16Å; M105-T109 PolarHBondContact O-OG1 3.43Å; K106-T109 PolarHBondContact O-N 3Å; V107-T109 PolarHBondContact O-N 3.26Å; T109-D111 PolarHBondContact O-N 2.89Å
110	I	70.7	Confident	68.6	Low	133 Å²	133	124.9 Å²	124.9	68%	0.682	66%	0.657	S	S	*	*			trans	-91.7	80.3	177	-58.4	167.2	0	0	0	108	K106 V107	K106-I110 WeakPolarHBondContact O-CG1 3.31Å; V107-I110 PolarHBondContact O-N 3.37Å
111	D	58.2	Low	66.3	Low	127 Å²	127	126.4 Å²	126.4	68%	0.679	67%	0.666	S	S	*	*			trans	-58.2	148.6	169.4	-113.7	-30.6	0	0	0	110.3	T109 Q113	T109-D111 PolarHBondContact O-N 2.89Å; D111-Q113 PolarHBondContact O-N 3.22Å
112	P	56.8	Low	64.2	Low	103 Å²	103	127.9 Å²	127.9	67%	0.669	68%	0.68	S	S	*	*	S	Bend	trans	-74.2	16.3	-168.8	31.1	-35.7	0	0	0	114.8	R114 T115	P112-R114 PolarHBondContact O-N 2.93Å; P112-T115 PolarHBondContact O-OG1 3.49Å
113	Q	49.5	Very low	62	Low	169 Å²	169	129.8 Å²	129.8	79%	0.79	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	21.4	-176.3	-72.2	-71.1	-12.6	0	0	114.7	D111	D111-Q113 PolarHBondContact O-N 3.22Å
114	R	50.5	Low	59.9	Low	226 Å²	226	135.6 Å²	135.6	85%	0.853	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	20.1	-176.1	-143.8	-179.1	-176.4	-165.9	-1.4	115	P112	P112-R114 PolarHBondContact O-N 2.93Å
115	T	43.8	Very low	58	Low	108 Å²	108	134.3 Å²	134.3	66%	0.663	72%	0.722	S	S	*	*	S	Bend	trans	-109.7	13.7	-179	50.6	0	0	0	0	114.7	P112	P112-T115 PolarHBondContact O-OG1 3.49Å
116	H	46.5	Very low	56	Low	176 Å²	176	138.6 Å²	138.6	82%	0.815	74%	0.741	S	S	*	*	S	Bend	trans	-133.9	48	-178.3	-65.1	-72.1	0	0	0	113.7
117	S	44.8	Very low	54.5	Low	96 Å²	96	137.3 Å²	137.3	67%	0.671	75%	0.746	S	S	*	*			trans	-144.4	30.3	173.5	79.3	0	0	0	0	115.1
118	N	40.7	Very low	52.5	Low	169 Å²	169	139.9 Å²	139.9	90%	0.904	76%	0.756	S	S	*	*			trans	-115.4	77.6	159.5	-80.7	8.1	0	0	0	107.3
119	A	44.5	Very low	50.6	Low	79 Å²	79	141 Å²	141	65%	0.653	77%	0.766	S	S	*	*			trans	-112.5	115.2	170.7	0	0	0	0	0	107.9	N121	A119-N121 PolarHBondContact O-ND2 2.89Å
120	E	45.5	Very low	49	Very low	194 Å²	194	140.7 Å²	140.7	91%	0.907	77%	0.769	S	S	*	*			trans	-70.1	127.4	-178.2	-66.4	161.4	126.8	0	0	109.5
121	N	43.5	Very low	48	Very low	156 Å²	156	141.5 Å²	141.5	83%	0.834	78%	0.775	S	S	*	*			trans	-112.6	67.8	178.9	-83.2	-85.6	0	0	0	110.5	A119	A119-N121 PolarHBondContact O-ND2 2.89Å
122	V	47.5	Very low	47.6	Very low	120 Å²	120	143.5 Å²	143.5	73%	0.727	79%	0.785	S	S	*	*			trans	-147.9	108.5	164.8	-178	0	0	0	0	104.9
123	P	48.3	Very low	46.9	Very low	115 Å²	115	147.4 Å²	147.4	75%	0.747	79%	0.794	S	S	*	*				-126.1	152.9	85	8	15.3	0	0	0	112.1
124	E	45.4	Very low	46.7	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.813	80%	0.8	S	S	*	*				69.5	113.3	67.4	-60.4	-159.7	142.8	0	0	116
125	S	51.8	Low	46.3	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	79%	0.793	S	S	*	*			trans	42.9	105.9	155.4	59.6	0	0	0	0	122
126	E	48.3	Very low	46.2	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	80%	0.803	S	S	*	*				48.4	152.9	120.8	-57.3	-170.2	153.3	0	0	123.9
127	V	59.1	Low	45.8	Very low	126 Å²	126	141.3 Å²	141.3	76%	0.764	80%	0.799	S	S	*	*			trans	97	112.9	158.9	-168.9	0	0	0	0	118.7
128	D	44.1	Very low	45.6	Very low	154 Å²	154	145.6 Å²	145.6	82%	0.824	81%	0.808	S	S	*	*			trans	42	132.2	156.7	-71.6	-44.9	0	0	0	124.6
129	T	42.3	Very low	45.4	Very low	130 Å²	130	147.9 Å²	147.9	80%	0.798	81%	0.806	S	S	*	*			trans	-83.1	135.3	163.4	47.9	0	0	0	0	112.3
130	S	47.9	Very low	44.9	Very low	110 Å²	110	152 Å²	152	77%	0.769	82%	0.817	S	S	*	*				-168.3	131.3	126	18.3	0	0	0	0	112.9
131	D	49	Very low	44.6	Very low	150 Å²	150	147.4 Å²	147.4	80%	0.802	81%	0.805	S	S	*	*			trans	25.5	116	142.6	-46.7	-23.3	0	0	0	120.2
132	L	49.5	Very low	44.3	Very low	169 Å²	169	147.3 Å²	147.3	89%	0.885	81%	0.805	S	S	*	*				-157.4	140.7	110.8	-133.5	74.7	0	0	0	111.8
133	E	43.4	Very low	44	Very low	185 Å²	185	147.8 Å²	147.8	86%	0.864	81%	0.808	S	S	*	*			trans	-78	142.1	169.8	-61.4	-173.9	126.9	0	0	111.3
134	L	44.7	Very low	43.4	Very low	174 Å²	174	149.5 Å²	149.5	91%	0.911	81%	0.809	S	S	*	*			trans	-161.2	141.2	146.2	-111.3	159.9	0	0	0	110.4
135	S	42.6	Very low	42.9	Very low	101 Å²	101	153.4 Å²	153.4	71%	0.706	82%	0.817	S	S	*	*			trans	-114.3	142.3	-160.9	50	0	0	0	0	113.8
136	N	40	Very low	42.4	Very low	164 Å²	164	158.4 Å²	158.4	88%	0.877	82%	0.82	S	S	*	*			trans	-163.7	158.5	142.4	-103.5	-40.7	0	0	0	111.4
137	P	39.4	Very low	41.7	Very low	112 Å²	112	156.6 Å²	156.6	73%	0.727	82%	0.816	S	S	*	*			trans	-103.3	157.3	-153.8	38.4	-37.2	0	0	0	114.9
138	Q	39.6	Very low	40.6	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.864	82%	0.82	S	S	*	*			trans	-142.7	101	169.7	-153.2	165.9	-20	0	0	113.3
139	Y	37.5	Very low	40	Very low	217 Å²	217	155.4 Å²	155.4	85%	0.851	81%	0.812	S	S	*	*			trans	33.6	86.4	154.8	-62.6	-89	0	0	0	118.8
140	D	33.9	Very low	39.7	Very low	166 Å²	166	157.2 Å²	157.2	89%	0.888	81%	0.811	S	S	*	*			trans	-80.1	116.3	157.7	-163.1	-8.2	0	0	0	109.6
141	C	37.9	Very low	39.1	Very low	97 Å²	97	159 Å²	159	66%	0.655	81%	0.807	S	S	*	*			trans	-131.2	101.8	-173.6	-174.1	0	0	0	0	110.8
142	N	38.7	Very low	38.4	Very low	155 Å²	155	156.5 Å²	156.5	83%	0.829	80%	0.802	S	S	*	*			trans	172.5	66.9	135.8	-91.5	-59.2	0	0	0	111.4
143	V	40	Very low	37.7	Very low	130 Å²	130	153.6 Å²	153.6	79%	0.788	80%	0.796	S	S	*	*			trans	-77.8	160.9	166.1	-160.2	0	0	0	0	109.4
144	L	36.9	Very low	37.3	Very low	150 Å²	150	153.6 Å²	153.6	79%	0.785	79%	0.793	S	S	*	*			trans	75.6	57.7	166.7	-51.8	-179	0	0	0	118.7	R146	L144-R146 PolarHBondContact O-N 3.02Å; L144-R146 VanDerWaalsContact O-N 3.14Å
145	R	35.2	Very low	36.9	Very low	257 Å²	257	150.8 Å²	150.8	97%	0.97	78%	0.779	S	S	*	*			trans	-80.5	54.1	150	-156.8	-172.3	-159.6	-172.9	10.6	112.1
146	R	40.4	Very low	36.8	Very low	209 Å²	209	153.7 Å²	153.7	79%	0.789	78%	0.779	S	S	*	*			trans	-152.8	129.8	176.3	-96.1	-178.4	-175.4	127.4	3.4	112.1	L144	L144-R146 PolarHBondContact O-N 3.02Å; L144-R146 VanDerWaalsContact O-N 3.14Å
147	N	34.1	Very low	36.5	Very low	148 Å²	148	150.6 Å²	150.6	79%	0.791	77%	0.769	S	S	*	*			trans	65.7	162.9	171.3	-46.9	-25.2	0	0	0	113.4
148	L	34.8	Very low	36.4	Very low	161 Å²	161	151.2 Å²	151.2	84%	0.843	77%	0.771	S	S	*	*			cis	-139.7	172.2	0.1	-164.1	62.4	0	0	0	109.6
149	S	32.7	Very low	36.4	Very low	93 Å²	93	146.7 Å²	146.7	65%	0.65	76%	0.759	S	S	*	*			trans	-75	175.4	160.4	-58	0	0	0	0	111.1
150	Q	34.7	Very low	36.5	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	76%	0.759	S	S	*	*			trans	69.5	141.3	169.5	-79.4	178.6	-86.7	0	0	115
151	E	35.4	Very low	36.7	Very low	147 Å²	147	144.2 Å²	144.2	69%	0.687	76%	0.755	S	S	*	*			cis	-141.4	146	-13.3	-54	-159	141.2	0	0	108
152	S	34.3	Very low	36.8	Very low	98 Å²	98	147.1 Å²	147.1	69%	0.685	76%	0.763	S	S	*	*				61.6	137.2	94.1	116	0	0	0	0	118.2
153	S	35.8	Very low	36.8	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	76%	0.759	S	S	*	*			trans	71.4	153.2	170.4	84.7	0	0	0	0	117.4
154	F	34.3	Very low	36.4	Very low	184 Å²	184	144 Å²	144	81%	0.807	76%	0.756	S	S	*	*			cis	-161.1	163.2	-31.9	-131.6	-87.7	0	0	0	108.6
155	D	37.8	Very low	36.6	Very low	115 Å²	115	143.4 Å²	143.4	62%	0.615	76%	0.759	S	S	*	*			trans	63.4	160.4	161.4	-83.6	-43.8	0	0	0	118.2
156	K	40	Very low	36.6	Very low	163 Å²	163	142.2 Å²	142.2	71%	0.709	75%	0.754	S	S	*	*			cis	-162.5	177.3	-30.3	-142.4	-172.8	-146.1	92.2	0	109.2
157	C	33.4	Very low	36.4	Very low	99 Å²	99	138.8 Å²	138.8	67%	0.669	76%	0.761	S	S	*	*			trans	69.8	115.4	161.6	-72.7	0	0	0	0	116.9
158	T	37.2	Very low	36.5	Very low	125 Å²	125	136 Å²	136	77%	0.767	75%	0.753	S	S	*	*				60.4	128.5	81.6	61.9	0	0	0	0	113.4
159	S	39.5	Very low	36.5	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	75%	0.751	S	S	*	*			cis	-173.6	176.3	18.8	28.5	0	0	0	0	113.4
160	Y	39.1	Very low	36.8	Very low	216 Å²	216	138.6 Å²	138.6	85%	0.847	76%	0.759	S	S	*	*			trans	89.8	131.9	156.6	-69.3	-69.8	0	0	0	122.2
161	S	38.6	Very low	36.7	Very low	115 Å²	115	136 Å²	136	80%	0.804	76%	0.759	S	S	*	*			trans	82.9	106	144.7	-59.5	0	0	0	0	122.2
162	I	39.8	Very low	37	Very low	159 Å²	159	136 Å²	136	82%	0.815	76%	0.763	S	S	*	*			trans	-80.1	144.2	157.8	-69.7	163.6	0	0	0	106.6
163	P	38.3	Very low	37.2	Very low	115 Å²	115	143 Å²	143	75%	0.747	77%	0.774	S	S	*	*				-151.3	140.2	70.4	38.9	-16.9	0	0	0	121.1
164	S	33	Very low	37.3	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	77%	0.774	S	S	*	*			trans	0.3	125.6	136.7	-172.2	0	0	0	0	119.6
165	T	40.7	Very low	37.5	Very low	138 Å²	138	142.3 Å²	142.3	85%	0.847	78%	0.778	S	S	*	*			trans	-130.8	134.7	148.5	50.4	0	0	0	0	110.2
166	R	35	Very low	37.5	Very low	233 Å²	233	144.9 Å²	144.9	88%	0.879	79%	0.786	S	S	*	*			trans	-77	155.9	174.3	-63.3	171.9	174.4	158.7	-4.3	111
167	C	35.7	Very low	37.4	Very low	136 Å²	136	148.6 Å²	148.6	92%	0.919	80%	0.796	S	S	*	*			trans	-153.4	147.6	134.4	-131.3	0	0	0	0	110.8
168	S	35.6	Very low	37.4	Very low	91 Å²	91	152 Å²	152	64%	0.636	80%	0.799	S	S	*	*			trans	-113.8	174.9	-174.8	-56.4	0	0	0	0	111.5
169	D	34.8	Very low	37.6	Very low	149 Å²	149	151.4 Å²	151.4	80%	0.797	80%	0.798	S	S	*	*			trans	61.9	93.1	151.5	-54.4	-39.9	0	0	0	119.2
170	I	40.2	Very low	37.2	Very low	159 Å²	159	155.8 Å²	155.8	82%	0.815	81%	0.813	S	S	*	*			trans	-117.7	102.8	143.4	-63.7	-178.6	0	0	0	108.4	I172	I170-I172 HydrophobicContact CG2-CD1 4.12Å; I170-I172 HydrophobicContact CG2-CG1 4.08Å
171	S	32.9	Very low	37.2	Very low	114 Å²	114	156.8 Å²	156.8	80%	0.797	82%	0.815	S	S	*	*			trans	-98.2	108.2	176.6	-176.3	0	0	0	0	110.3
172	I	41.9	Very low	37	Very low	147 Å²	147	156.1 Å²	156.1	75%	0.754	82%	0.816	S	S	*	*			trans	-122.2	114.1	172	-61.8	-178.7	0	0	0	110	I170 G174	I170-I172 HydrophobicContact CG2-CD1 4.12Å; I170-I172 HydrophobicContact CG2-CG1 4.08Å; I172-G174 PolarHBondContact O-N 3.46Å
173	R	37.3	Very low	37	Very low	244 Å²	244	155.2 Å²	155.2	92%	0.921	82%	0.818	S	S	*	*			trans	-72.4	105.4	174	-72.5	171.7	158.7	-167.9	-2.6	110.6
174	G	37.8	Very low	37	Very low	74 Å²	74	154.4 Å²	154.4	76%	0.763	82%	0.815	S	S	*	*			trans	-116	100.2	168.1	0	0	0	0	0	111.6	I172	I172-G174 PolarHBondContact O-N 3.46Å
175	K	38.9	Very low	37.2	Very low	205 Å²	205	155.3 Å²	155.3	89%	0.891	82%	0.816	S	S	*	*			trans	-84.2	120.5	173	-61.6	169.8	-174.9	167.6	0	109.3
176	E	38.6	Very low	37	Very low	168 Å²	168	156.5 Å²	156.5	79%	0.785	82%	0.818	S	S	*	*			trans	-149.1	144.6	140	-80.4	-138.9	117.1	0	0	110.4	F178	E176-F178 WeakPolarHBondContact OE2-CE2 3.28Å
177	R	36.4	Very low	36.9	Very low	242 Å²	242	150.5 Å²	150.5	91%	0.913	81%	0.811	S	S	*	*			trans	-123.2	118.4	174.4	-93.5	-178.9	166.9	175.4	-4.6	107.8
178	F	35.3	Very low	37.2	Very low	170 Å²	170	154.9 Å²	154.9	75%	0.746	81%	0.809	S	S	*	*			trans	-117.7	150.5	163.1	-79.4	-77.4	0	0	0	111.4	E176	E176-F178 WeakPolarHBondContact OE2-CE2 3.28Å
179	P	40.2	Very low	37.1	Very low	113 Å²	113	157.4 Å²	157.4	73%	0.734	82%	0.82	S	S	*	*			trans	-94.2	158.5	-143.3	34.8	-37.9	0	0	0	115.3	R181	P179-R181 PolarHBondContact O-N 3.39Å
180	L	31.2	Very low	37.2	Very low	180 Å²	180	155.3 Å²	155.3	94%	0.942	82%	0.823	S	S	*	*			trans	-59.3	116.1	166.8	-64.5	172.2	0	0	0	110.3
181	R	39.7	Very low	37	Very low	238 Å²	238	152.9 Å²	152.9	90%	0.898	82%	0.821	S	S	*	*			trans	-94.9	104.5	168.9	-146.9	175.2	-162.5	164.9	5.3	108.6	P179 V183	P179-R181 PolarHBondContact O-N 3.39Å; R181-V183 PolarHBondContact O-N 3Å
182	A	33.8	Very low	37.4	Very low	100 Å²	100	156.8 Å²	156.8	83%	0.826	82%	0.818	S	S	*	*			trans	-63.2	127.7	176.3	0	0	0	0	0	110.3
183	V	39.1	Very low	37.4	Very low	141 Å²	141	160.4 Å²	160.4	86%	0.855	82%	0.822	S	S	*	*			trans	-104.1	109	169.7	178.7	0	0	0	0	107.2	R181	R181-V183 PolarHBondContact O-N 3Å
184	S	38.9	Very low	37.4	Very low	97 Å²	97	153.2 Å²	153.2	68%	0.678	81%	0.809	S	S	*	*			trans	-74.7	130.2	-179.6	-157.4	0	0	0	0	110.9
185	T	37.2	Very low	37.5	Very low	122 Å²	122	157 Å²	157	75%	0.748	81%	0.811	S	S	*	*			trans	26.1	109.6	142.6	57.9	0	0	0	0	117.8
186	N	36.1	Very low	37.4	Very low	164 Å²	164	154.2 Å²	154.2	88%	0.877	81%	0.806	S	S	*	*			trans	-145	131.8	140.9	-141.8	-25.6	0	0	0	111.5
187	S	33.9	Very low	37.4	Very low	106 Å²	106	155.1 Å²	155.1	74%	0.741	81%	0.807	S	S	*	*			trans	-101.5	124.8	-163.3	45	0	0	0	0	112.5
188	R	41.2	Very low	37.3	Very low	229 Å²	229	155.7 Å²	155.7	86%	0.864	81%	0.81	S	S	*	*			trans	-138.8	76.4	168.7	-71.6	-162.7	174.4	-156.3	-2.5	113.2	A190	R188-A190 PolarHBondContact O-N 3.18Å
189	T	34.7	Very low	37.6	Very low	144 Å²	144	154 Å²	154	88%	0.883	81%	0.813	S	S	*	*			trans	30.7	78.5	136.5	50.2	0	0	0	0	118.1
190	A	36.2	Very low	37.6	Very low	104 Å²	104	154 Å²	154	86%	0.86	82%	0.816	S	S	*	*			trans	-108.2	81.6	168.5	0	0	0	0	0	111.5	R188 R192	R188-A190 PolarHBondContact O-N 3.18Å; A190-R192 PolarHBondContact O-N 3.12Å
191	S	35.5	Very low	37.5	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	81%	0.81	S	S	*	*			trans	-72.3	126.1	174.9	178.1	0	0	0	0	111.5
192	R	40.8	Very low	37.5	Very low	196 Å²	196	144.3 Å²	144.3	74%	0.74	81%	0.806	S	S	*	*			trans	-178.2	123.9	132.5	-97.8	146	-167.5	-113.4	1.1	116.1	A190	A190-R192 PolarHBondContact O-N 3.12Å
193	R	42.1	Very low	37.4	Very low	223 Å²	223	148.2 Å²	148.2	84%	0.842	81%	0.807	S	S	*	*			trans	68.1	104.3	142	-62.9	-180	175.8	-159.5	-4.7	118.8
194	S	37.8	Very low	37.2	Very low	93 Å²	93	152.8 Å²	152.8	65%	0.65	81%	0.808	S	S	*	*			trans	-61.6	149.8	162.3	48.8	0	0	0	0	113.7	N196	S194-N196 VanDerWaalsContact C-N 3.25Å; S194-N196 PolarHBondContact O-N 3.11Å
195	L	39.1	Very low	37	Very low	154 Å²	154	156.2 Å²	156.2	81%	0.806	82%	0.819	S	S	*	*			trans	-83.2	48.7	-177.6	-94.1	165.9	0	0	0	113.9	K197	L195-K197 VanDerWaalsContact C-N 3.31Å; L195-K197 PolarHBondContact O-N 3.32Å
196	N	37	Very low	37	Very low	146 Å²	146	160.1 Å²	160.1	78%	0.781	83%	0.825	S	S	*	*			trans	-71.7	76.6	176.9	-74.3	-0.8	0	0	0	112.3	S194	S194-N196 VanDerWaalsContact C-N 3.25Å; S194-N196 PolarHBondContact O-N 3.11Å
197	K	38.4	Very low	37.1	Very low	187 Å²	187	158.3 Å²	158.3	81%	0.813	82%	0.822	S	S	*	*			trans	-152.6	45.7	171.6	-141.8	-178.5	-177.6	-173.6	0	117.8	L195	L195-K197 VanDerWaalsContact C-N 3.31Å; L195-K197 PolarHBondContact O-N 3.32Å
198	W	36	Very low	37	Very low	255 Å²	255	157.8 Å²	157.8	97%	0.966	82%	0.824	S	S	*	*			trans	-100.7	119.4	153.4	-77.5	88	0	0	0	109.8
199	V	41	Very low	36.9	Very low	133 Å²	133	154.3 Å²	154.3	81%	0.806	82%	0.823	S	S	*	*			trans	-125	119.2	168	173.4	0	0	0	0	106.1	G201	V199-G201 PolarHBondContact O-N 2.82Å
200	S	40.1	Very low	36.9	Very low	114 Å²	114	152.6 Å²	152.6	80%	0.797	82%	0.817	S	S	*	*			trans	-59	133	-174.2	-50.1	0	0	0	0	111.9	V202	S200-V202 PolarHBondContact O-N 3.32Å
201	G	29.9	Very low	37.1	Very low	79 Å²	79	156 Å²	156	81%	0.814	82%	0.819	S	S	*	*			trans	-70.8	125.9	175	0	0	0	0	0	111.7	V199	V199-G201 PolarHBondContact O-N 2.82Å
202	V	38.6	Very low	37.1	Very low	135 Å²	135	153.6 Å²	153.6	82%	0.818	81%	0.81	S	S	*	*			trans	-131.9	127.4	161	-178.5	0	0	0	0	107.5	S200	S200-V202 PolarHBondContact O-N 3.32Å
203	H	32.7	Very low	36.9	Very low	182 Å²	182	151.5 Å²	151.5	84%	0.843	81%	0.814	S	S	*	*			trans	-64.1	136.3	177.7	-76.6	-133.2	0	0	0	110.9
204	R	34.1	Very low	36.8	Very low	237 Å²	237	146 Å²	146	89%	0.894	81%	0.805	S	S	*	*				-168.2	133.9	115.2	-105.6	170.9	-176.1	-156.5	-0.2	114.8
205	L	34.3	Very low	36.9	Very low	170 Å²	170	148.7 Å²	148.7	89%	0.89	81%	0.813	S	S	*	*			trans	-26.7	142.7	160.6	-55.9	162.9	0	0	0	115.8
206	K	37.5	Very low	37	Very low	203 Å²	203	145.3 Å²	145.3	88%	0.883	81%	0.806	S	S	*	*			trans	-134	144.4	148	-90	-170.8	173.8	-178.3	0	109.9
207	P	37.7	Very low	37.2	Very low	127 Å²	127	145.2 Å²	145.2	83%	0.825	81%	0.806	S	S	*	*			trans	-80.7	164.7	-173.4	33.9	-36.8	0	0	0	112.8
208	A	33.3	Very low	37.3	Very low	94 Å²	94	143.2 Å²	143.2	78%	0.777	80%	0.804	S	S	*	*			trans	-83.8	150.3	173.4	0	0	0	0	0	112.4
209	N	37.7	Very low	37.3	Very low	157 Å²	157	136 Å²	136	84%	0.84	79%	0.793	S	S	*	*			trans	-141.5	114.2	154.6	-99.9	-21.9	0	0	0	105.2
210	S	36	Very low	37.4	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	79%	0.789	S	S	*	*				84.3	92.1	79.4	-179.4	0	0	0	0	111.8
211	I	38.8	Very low	37.3	Very low	176 Å²	176	139.4 Å²	139.4	90%	0.903	79%	0.788	S	S	*	*			trans	-135.9	132.1	162.2	-62	178.2	0	0	0	106.6
212	G	37.2	Very low	38	Very low	56 Å²	56	140.5 Å²	140.5	58%	0.577	78%	0.783	S	S	*	*			trans	127.2	97.5	162.8	0	0	0	0	0	116
213	N	36.2	Very low	38	Very low	153 Å²	153	144.3 Å²	144.3	82%	0.818	79%	0.789	S	S	*	*			trans	69.5	153.7	140.3	-55.6	-2.3	0	0	0	119.4
214	T	40	Very low	38.3	Very low	106 Å²	106	139 Å²	139	65%	0.65	78%	0.784	S	S	*	*			cis	-162.6	154.8	-35.4	30.7	0	0	0	0	108.7
215	N	38.7	Very low	38.6	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	78%	0.781	S	S	*	*			trans	76	144.9	154.2	-60.1	-13.7	0	0	0	121.3
216	A	41.4	Very low	39	Very low	82 Å²	82	131.3 Å²	131.3	68%	0.678	77%	0.773	S	S	*	*			trans	74.2	95.6	143.6	0	0	0	0	0	121.3
217	N	42	Very low	39.2	Very low	144 Å²	144	128.2 Å²	128.2	77%	0.77	77%	0.766	S	S	*	*				67.5	122.4	117.5	-57.6	-6.2	0	0	0	122
218	N	40	Very low	39.2	Very low	146 Å²	146	129.6 Å²	129.6	78%	0.781	77%	0.766	S	S	*	*			trans	69.2	97.5	133.7	-63.3	-5	0	0	0	121.4
219	S	37.4	Very low	39.5	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	77%	0.774	S	S	*	*				81.8	134.3	107.7	-142	0	0	0	0	121.5
220	L	41.6	Very low	39.4	Very low	137 Å²	137	133 Å²	133	72%	0.717	77%	0.77	S	S	*	*			trans	71.3	110.2	152.9	-69.3	160.4	0	0	0	121.5
221	K	39.4	Very low	39.7	Very low	181 Å²	181	134 Å²	134	79%	0.787	77%	0.772	S	S	*	*				73.8	107.6	129.5	-74.9	-176.8	179.1	179.7	0	122
222	S	42.9	Very low	39.7	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	76%	0.764	S	S	*	*				77.4	127.2	117.5	70.7	0	0	0	0	123.1
223	K	40.1	Very low	39.7	Very low	214 Å²	214	139.5 Å²	139.5	93%	0.93	78%	0.78	S	S	*	*			trans	59.1	135.4	149.2	-72.5	-173.1	169.4	-171.4	0	118.8
224	G	37.5	Very low	40	Very low	71 Å²	71	139 Å²	139	73%	0.732	78%	0.783	S	S	*	*			trans	167	106.2	172.3	0	0	0	0	0	112.9
225	D	40.9	Very low	39.8	Very low	159 Å²	159	139.3 Å²	139.3	85%	0.85	79%	0.789	S	S	*	*			trans	-75.9	146.3	-164.7	-52	-78.3	0	0	0	117.3
226	A	43.4	Very low	40	Very low	86 Å²	86	138.5 Å²	138.5	71%	0.711	79%	0.789	S	S	*	*			trans	66.2	154.1	132.9	0	0	0	0	0	124.7
227	N	41.5	Very low	39.9	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	79%	0.788	S	S	*	*			trans	76.6	97	150.9	-67.2	-26	0	0	0	122.3
228	N	37.2	Very low	39.6	Very low	155 Å²	155	140.5 Å²	140.5	83%	0.829	79%	0.788	S	S	*	*				34.7	116.9	115.2	-62.8	-17.9	0	0	0	119.9
229	K	39	Very low	39.6	Very low	213 Å²	213	142 Å²	142	93%	0.926	79%	0.787	S	S	*	*			trans	-150.2	155.1	135.6	-151.1	156.7	-173.4	172.4	0	112.5
230	S	36.2	Very low	39.7	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	79%	0.792	S	S	*	*			trans	-133	142.3	-171.4	48.8	0	0	0	0	112.4
231	T	43.3	Very low	39.6	Very low	130 Å²	130	147.9 Å²	147.9	80%	0.798	80%	0.799	S	S	*	*			trans	-156.7	111.4	174.1	13.4	0	0	0	0	108.3
232	S	37.9	Very low	39.6	Very low	104 Å²	104	148.7 Å²	148.7	73%	0.727	80%	0.803	S	S	*	*				69.2	111.2	105.3	68	0	0	0	0	114.6
233	R	36.5	Very low	39.4	Very low	244 Å²	244	150.2 Å²	150.2	92%	0.921	81%	0.808	S	S	*	*			cis	94.6	102.8	41	-172.7	-171.3	-169.1	-168	5.3	112.8
234	T	42.9	Very low	39.1	Very low	143 Å²	143	144.5 Å²	144.5	88%	0.877	80%	0.795	S	S	*	*			trans	-131.4	-173	162.6	54	0	0	0	0	108.9
235	S	36.6	Very low	39.2	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	79%	0.793	S	S	*	*			trans	-162.7	-172.2	177.7	-154.7	0	0	0	0	112.2
236	V	43.2	Very low	39.2	Very low	133 Å²	133	144.4 Å²	144.4	81%	0.806	79%	0.785	S	S	*	*			trans	70.2	143.8	176.2	-143.5	0	0	0	0	112.9
237	D	37.8	Very low	38.8	Very low	122 Å²	122	150.9 Å²	150.9	65%	0.652	79%	0.793	S	S	*	*			cis	-130.3	163.7	11	-167.6	18.5	0	0	0	112.7	K239	D237-K239 IonicContact OD2-NZ 3.43Å; D237-K239 PolarHBondContact OD2-NZ 2.9Å
238	L	36.2	Very low	38.8	Very low	147 Å²	147	149.6 Å²	149.6	77%	0.77	79%	0.79	S	S	*	*			trans	-119	108.2	-179.9	-179.3	72.4	0	0	0	111.4
239	K	41	Very low	39.1	Very low	176 Å²	176	154 Å²	154	77%	0.765	80%	0.795	S	S	*	*			trans	-126	122.6	167.7	-89.7	170.3	-177.9	127.3	0	112.3	D237	D237-K239 IonicContact OD2-NZ 3.43Å; D237-K239 PolarHBondContact OD2-NZ 2.9Å
240	Q	39.4	Very low	39.3	Very low	180 Å²	180	152 Å²	152	84%	0.841	78%	0.783	S	S	*	*			trans	-72.3	136.7	177.5	-61.5	168.7	-11.4	0	0	109.9
241	H	38.4	Very low	39.8	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.856	77%	0.768	S	S	*	*			trans	-130	141.6	165.6	-115.2	-100.8	0	0	0	112.1
242	K	39.2	Very low	39.8	Very low	198 Å²	198	153.7 Å²	153.7	86%	0.861	77%	0.768	S	S	*	*			trans	-83.4	119.7	-160.1	-158.3	174.5	-172.5	177.5	0	110.9	S244	K242-S244 PolarHBondContact O-N 2.94Å
243	V	39.7	Very low	40.4	Very low	135 Å²	135	152.9 Å²	152.9	82%	0.818	76%	0.763	S	S	*	*			trans	-83	97.9	177.9	-177.6	0	0	0	0	110.2	V245	V243-V245 HydrophobicContact CG1-CG2 4.17Å
244	S	33.7	Very low	41.2	Very low	94 Å²	94	146.7 Å²	146.7	66%	0.657	74%	0.744	S	S	*	*			trans	-95.9	108	171.2	55.2	0	0	0	0	111	K242 T246	K242-S244 PolarHBondContact O-N 2.94Å; S244-T246 PolarHBondContact O-N 3.3Å
245	V	39.5	Very low	41.6	Very low	116 Å²	116	146.6 Å²	146.6	70%	0.703	73%	0.734	S	S	*	*			trans	-83.1	93.6	179	-176.9	0	0	0	0	110.6	V243 Y247	V243-V245 HydrophobicContact CG1-CG2 4.17Å; V245-Y247 HydrophobicContact CG1-CD2 4.32Å; V245-Y247 HydrophobicContact CG1-CE2 4.23Å
246	T	40.2	Very low	42.2	Very low	112 Å²	112	148.9 Å²	148.9	69%	0.687	73%	0.732	S	S	*	*			trans	-89.7	108.7	173.4	53.1	0	0	0	0	111.3	S244 T248	S244-T246 PolarHBondContact O-N 3.3Å; T246-T248 PolarHBondContact O-N 3.19Å; T246-T248 VanDerWaalsContact O-N 3.09Å
247	Y	35.8	Very low	42.2	Very low	221 Å²	221	153.6 Å²	153.6	87%	0.867	74%	0.735	S	S	*	*			trans	-68.4	102	173.4	-89.6	-94.1	0	0	0	111.7	V245 R249	V245-Y247 HydrophobicContact CG1-CD2 4.32Å; V245-Y247 HydrophobicContact CG1-CE2 4.23Å; Y247-R249 PolarHBondContact O-N 3.48Å
248	T	41.5	Very low	42.3	Very low	112 Å²	112	157.2 Å²	157.2	69%	0.687	75%	0.745	S	S	*	*			trans	-71.8	107.6	173.8	52.8	0	0	0	0	111.1	T246 Y250	T246-T248 PolarHBondContact O-N 3.19Å; T246-T248 VanDerWaalsContact O-N 3.09Å; T248-Y250 PolarHBondContact O-N 3.5Å
249	R	42.8	Very low	42.5	Very low	248 Å²	248	158.7 Å²	158.7	94%	0.936	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66	121.2	170.5	-69.1	-175.3	177.9	-171.1	-0	110	Y247	Y247-R249 PolarHBondContact O-N 3.48Å
250	Y	44.4	Very low	42.3	Very low	171 Å²	171	155.3 Å²	155.3	67%	0.671	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-65.8	139	175.2	-92.3	-102.7	0	0	0	112	T248 Q254	T248-Y250 PolarHBondContact O-N 3.5Å; Y250-Q254 HydrophobicContact CD1-CB 4.41Å; Y250-Q254 VanDerWaalsContact CD1-OE1 3.27Å
251	S	45.3	Very low	42.3	Very low	64 Å²	64	156 Å²	156	45%	0.448	75%	0.747	S	S	.	*	P	Polyproline II helix	trans	-79.9	151.1	179.8	65.3	0	0	0	0	112.7	S253 Q254	S251-S253 PolarHBondContact O-N 2.86Å; S251-Q254 PolarHBondContact O-N 3.21Å
252	R	44.7	Very low	42.4	Very low	210 Å²	210	158.8 Å²	158.8	79%	0.792	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-16.6	-170	-160.7	172.7	-176.2	176.2	0.5	114.7
253	S	49.4	Very low	42.3	Very low	88 Å²	88	156.1 Å²	156.1	62%	0.615	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-28.5	-180	50.2	0	0	0	0	114.3	S251	S251-S253 PolarHBondContact O-N 2.86Å
254	Q	53.8	Low	42.3	Very low	114 Å²	114	157.1 Å²	157.1	53%	0.533	75%	0.75	S	S	.	*	G	3₁₀ helix	trans	-77.9	-24.1	-177.1	-68.9	-169.7	-3.5	0	0	113.5	Y250 S251 Q256	Y250-Q254 HydrophobicContact CD1-CB 4.41Å; Y250-Q254 VanDerWaalsContact CD1-OE1 3.27Å; S251-Q254 PolarHBondContact O-N 3.21Å; Q254-Q256 PolarHBondContact O-N 2.95Å; Q254-Q256 VanDerWaalsContact O-N 3.16Å
255	Q	52	Low	42.3	Very low	141 Å²	141	158.7 Å²	158.7	66%	0.659	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-68.2	-11.5	-178.3	-68.1	-178.2	-16.7	0	0	114.7
256	Q	47.8	Very low	42.1	Very low	159 Å²	159	164.7 Å²	164.7	74%	0.743	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-88.6	-13.8	-175.9	-69.2	-171	-19.5	0	0	115	Q254 F258	Q254-Q256 PolarHBondContact O-N 2.95Å; Q254-Q256 VanDerWaalsContact O-N 3.16Å; Q256-F258 PolarHBondContact O-N 3.42Å
257	R	44.1	Very low	41.7	Very low	232 Å²	232	164.9 Å²	164.9	88%	0.875	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-2.2	-167.5	-113.3	-177.1	-176.9	-163.5	0.6	117.4
258	F	40.6	Very low	41.9	Very low	198 Å²	198	162 Å²	162	87%	0.868	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	34.8	-173.7	-68.7	-72.9	0	0	0	115.1	Q256	Q256-F258 PolarHBondContact O-N 3.42Å
259	K	40.2	Very low	41.6	Very low	179 Å²	179	165.2 Å²	165.2	78%	0.778	78%	0.779	S	S	*	*	S	Bend	trans	-120.4	15.5	-174.3	-75.1	-177.4	179.7	172.5	0	117
260	S	35.5	Very low	41.5	Very low	104 Å²	104	159.4 Å²	159.4	73%	0.727	77%	0.774	S	S	*	*			trans	-157	113.5	168.5	55.7	0	0	0	0	114.3
261	H	40.5	Very low	41	Very low	194 Å²	194	157.5 Å²	157.5	90%	0.898	78%	0.775	S	S	*	*			trans	-160.1	142	140.1	-112.3	-80.4	0	0	0	110.2
262	R	39	Very low	40.7	Very low	244 Å²	244	165.6 Å²	165.6	92%	0.921	80%	0.796	S	S	*	*			trans	-76.8	141.5	173.9	-75.6	172	164.8	155.5	-7.9	110.1
263	V	38.2	Very low	40.5	Very low	143 Å²	143	160.6 Å²	160.6	87%	0.867	80%	0.799	S	S	*	*			trans	-132	146.1	156.7	-176.7	0	0	0	0	108.5
264	L	39.2	Very low	39.7	Very low	155 Å²	155	165.6 Å²	165.6	81%	0.812	81%	0.805	S	S	*	*			trans	-83.5	151.2	-168.5	-62.3	163.4	0	0	0	112.4	R266	L264-R266 PolarHBondContact O-N 3.5Å
265	P	34.1	Very low	39	Very low	127 Å²	127	166.1 Å²	166.1	83%	0.825	82%	0.818	S	S	*	*			trans	-74.1	119.4	167.9	30.9	-32	0	0	0	110.2
266	R	35.8	Very low	38.2	Very low	242 Å²	242	166 Å²	166	91%	0.913	82%	0.818	S	S	*	*			trans	-108.7	113.5	161	-103.4	-173.6	174.6	-174.2	-1.1	109	L264	L264-R266 PolarHBondContact O-N 3.5Å
267	S	31.8	Very low	37.7	Very low	116 Å²	116	169.5 Å²	169.5	81%	0.811	83%	0.826	S	S	*	*			trans	-72.4	135.6	170.4	36.7	0	0	0	0	110.3
268	L	40.2	Very low	37.5	Very low	162 Å²	162	164.8 Å²	164.8	85%	0.848	82%	0.817	S	S	*	*			trans	-130.4	125.2	166.6	-72.3	176.7	0	0	0	108.8	P270	L268-P270 WeakPolarHBondContact O-CD 2.9Å
269	H	35	Very low	37.1	Very low	179 Å²	179	162.7 Å²	162.7	83%	0.829	81%	0.81	S	S	*	*			trans	-70.7	136.3	171.7	-99.8	-84.9	0	0	0	110.7
270	P	40.1	Very low	36.8	Very low	126 Å²	126	164.9 Å²	164.9	82%	0.818	82%	0.815	S	S	*	*			trans	-95.9	127.6	142	32.8	-25.5	0	0	0	108.8	L268	L268-P270 WeakPolarHBondContact O-CD 2.9Å
271	N	34.5	Very low	36.7	Very low	131 Å²	131	163 Å²	163	70%	0.701	81%	0.805	S	S	*	*			trans	-133.8	145.9	174	-161.1	-9.8	0	0	0	109.5
272	R	39.4	Very low	36.3	Very low	233 Å²	233	161.5 Å²	161.5	88%	0.879	80%	0.801	S	S	*	*			trans	58	90.5	177.8	-63.6	180	172.3	164.8	-3.5	117.7
273	A	39.3	Very low	36.1	Very low	105 Å²	105	158.1 Å²	158.1	87%	0.868	80%	0.8	S	S	*	*				-165.3	135	117.3	0	0	0	0	0	110.5
274	R	33.3	Very low	36	Very low	194 Å²	194	162.8 Å²	162.8	73%	0.732	80%	0.802	S	S	*	*			trans	-151.2	129.3	175.2	-179.3	-175.6	-176.3	-150.7	1.8	109.7	Q276	R274-Q276 HydrophobicContact CG-CG 4.14Å
275	P	38.9	Very low	35.8	Very low	124 Å²	124	164.7 Å²	164.7	81%	0.805	81%	0.807	S	S	*	*				-118.1	118.2	124.5	-3.2	23.5	0	0	0	108.5
276	Q	35.3	Very low	35.8	Very low	140 Å²	140	162.4 Å²	162.4	65%	0.654	81%	0.806	S	S	*	*				64.4	85.8	74.6	-66.9	-158.6	37	0	0	112.5	R274	R274-Q276 HydrophobicContact CG-CG 4.14Å
277	Y	36.6	Very low	35.6	Very low	232 Å²	232	155.9 Å²	155.9	91%	0.91	80%	0.798	S	S	*	*			trans	-128	160.3	141	-127.9	-95.9	0	0	0	109.6
278	L	39.1	Very low	35.8	Very low	133 Å²	133	162.8 Å²	162.8	70%	0.696	81%	0.806	S	S	*	*			trans	-91.4	147.4	-146.6	-161.5	63.2	0	0	0	115.3	Y280	L278-Y280 HydrophobicContact CD2-CE2 4.11Å; L278-Y280 PolarHBondContact O-N 3.33Å
279	E	32.7	Very low	35.7	Very low	154 Å²	154	165.6 Å²	165.6	72%	0.72	81%	0.805	S	S	*	*			trans	-74.7	107.9	176.1	-178.6	172.5	-176	0	0	111.3
280	Y	34.6	Very low	35.7	Very low	224 Å²	224	166.8 Å²	166.8	88%	0.878	80%	0.802	S	S	*	*			trans	-108.1	56.7	173.7	-98.4	-79.8	0	0	0	112.4	L278	L278-Y280 HydrophobicContact CD2-CE2 4.11Å; L278-Y280 PolarHBondContact O-N 3.33Å
281	A	33.4	Very low	35.5	Very low	64 Å²	64	170.1 Å²	170.1	53%	0.529	80%	0.799	S	S	.	*	S	Bend	trans	-127.2	141.5	161.6	0	0	0	0	0	109.1
282	M	31.2	Very low	35.4	Very low	163 Å²	163	170.9 Å²	170.9	80%	0.803	80%	0.803	S	S	*	*	S	Bend	trans	64.9	77.1	175.2	-47.3	-176.2	-62	0	0	117.3
283	L	34.6	Very low	35.4	Very low	174 Å²	174	166.4 Å²	166.4	91%	0.911	80%	0.801	S	S	*	*			trans	-156.5	59.8	154.6	-140.6	76.6	0	0	0	116.4
284	R	37.6	Very low	35.2	Very low	241 Å²	241	168.2 Å²	168.2	91%	0.909	80%	0.801	S	S	*	*	S	Bend	trans	-138.3	22	166.2	-86.6	-152	-175.2	-131.9	3.2	116.9
285	H	35.3	Very low	35.3	Very low	195 Å²	195	163.3 Å²	163.3	90%	0.903	80%	0.797	S	S	*	*			trans	-126.5	55.7	163.9	-71.3	-63.2	0	0	0	111.5	S287	H285-S287 PolarHBondContact O-N 3.26Å
286	G	32.2	Very low	35.2	Very low	79 Å²	79	165.3 Å²	165.3	81%	0.814	79%	0.793	S	S	*	*			trans	-64.5	123.4	170.8	0	0	0	0	0	110.9	R288	G286-R288 PolarHBondContact O-N 3.28Å
287	S	32.8	Very low	35.3	Very low	105 Å²	105	168 Å²	168	73%	0.734	80%	0.799	S	S	*	*			trans	-74.6	112.7	-174.4	-72.5	0	0	0	0	112.8	H285 R289	H285-S287 PolarHBondContact O-N 3.26Å; S287-R289 PolarHBondContact O-N 3.28Å
288	R	36.3	Very low	35.5	Very low	261 Å²	261	163.1 Å²	163.1	99%	0.985	79%	0.793	S	S	*	*			trans	-85.4	96.8	148.9	-84.6	-164.6	170	-150.2	-2.2	108.9	G286	G286-R288 PolarHBondContact O-N 3.28Å
289	R	37.2	Very low	35.2	Very low	220 Å²	220	164.2 Å²	164.2	83%	0.83	80%	0.8	S	S	*	*			trans	-85.5	150.7	173.7	-93.5	179.2	163.9	-172.7	-4.4	110.6	S287	S287-R289 PolarHBondContact O-N 3.28Å
290	R	34.7	Very low	35.9	Very low	204 Å²	204	161.3 Å²	161.3	77%	0.77	79%	0.794	S	S	*	*			trans	72.9	143.2	170.5	-61.6	177.3	173.7	176.5	-2	114.2
291	R	36.2	Very low	36.1	Very low	196 Å²	196	157.5 Å²	157.5	74%	0.74	79%	0.789	S	S	*	*			cis	-152.2	163.7	-0.4	-127.3	167.1	-169.8	162.5	-4	111.2
292	N	32.3	Very low	36.3	Very low	147 Å²	147	159.5 Å²	159.5	79%	0.786	80%	0.799	S	S	*	*			trans	-51.8	158.2	167	-36.9	3.2	0	0	0	110.2
293	T	39.5	Very low	36.8	Very low	139 Å²	139	156.7 Å²	156.7	85%	0.853	80%	0.796	S	S	*	*				-150.6	157.4	68.4	35.9	0	0	0	0	115.1
294	V	35.8	Very low	37.2	Very low	143 Å²	143	158.5 Å²	158.5	87%	0.867	79%	0.79	S	S	*	*			trans	-104.6	159.1	163	176.3	0	0	0	0	107.7
295	S	34.3	Very low	37.3	Very low	92 Å²	92	153.2 Å²	153.2	64%	0.643	78%	0.78	S	S	*	*			trans	93.3	92.2	160.6	-170.6	0	0	0	0	119.9
296	K	38.1	Very low	37.6	Very low	165 Å²	165	148 Å²	148	72%	0.717	77%	0.766	S	S	*	*				76.6	145.1	127.6	-60.4	179.7	-177.4	-175.8	0	122.1
297	Y	35.7	Very low	38.2	Very low	198 Å²	198	151.5 Å²	151.5	78%	0.776	76%	0.761	S	S	*	*			trans	87.5	135.8	154.1	-70	-61.6	0	0	0	121.7
298	T	41	Very low	38.5	Very low	129 Å²	129	154.1 Å²	154.1	79%	0.791	76%	0.762	S	S	*	*			trans	61.3	94	155.8	50.4	0	0	0	0	120.8
299	N	34.4	Very low	38.8	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	75%	0.748	S	S	*	*				-6.7	164.7	116.4	-100.9	14.9	0	0	0	118.8
300	P	47.3	Very low	38.8	Very low	92 Å²	92	143.1 Å²	143.1	60%	0.597	74%	0.743	S	S	*	*			cis	-139.4	-164.8	-1.8	29.4	-3.9	0	0	0	115.3
301	D	38	Very low	39	Very low	145 Å²	145	141 Å²	141	78%	0.775	75%	0.746	S	S	*	*			trans	102	139.3	142.7	-68.7	-26.7	0	0	0	123.1
302	S	38.8	Very low	39.1	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	75%	0.747	S	S	*	*			trans	56.2	99.2	166.9	-71.6	0	0	0	0	117.9
303	S	40.9	Very low	39.3	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	74%	0.74	S	S	*	*				79.6	147.5	72.3	83.2	0	0	0	0	112.8
304	R	42.3	Very low	39.2	Very low	211 Å²	211	134.1 Å²	134.1	80%	0.796	74%	0.737	S	S	*	*			cis	-160.4	138.8	23.3	-157.6	162.2	-178.3	-175.8	1.3	110.7
305	N	40	Very low	39.1	Very low	130 Å²	130	133 Å²	133	70%	0.695	73%	0.731	S	S	*	*			trans	56.8	140.5	156.9	-66.3	34.9	0	0	0	118.8
306	S	42.4	Very low	39.5	Very low	87 Å²	87	137.5 Å²	137.5	61%	0.608	74%	0.739	S	S	*	*			cis	-172.7	-167.2	-4.6	50.8	0	0	0	0	109.1
307	E	43.2	Very low	39.5	Very low	152 Å²	152	140.7 Å²	140.7	71%	0.71	75%	0.746	S	S	*	*			cis	-151.4	-155	8.5	-149.1	87.7	-102.8	0	0	110.6
308	E	40	Very low	39.3	Very low	160 Å²	160	142 Å²	142	75%	0.748	75%	0.749	S	S	*	*			trans	-88	171.3	-171.9	-68.8	-175.4	82.3	0	0	115.7
309	T	41.7	Very low	39	Very low	113 Å²	113	142.5 Å²	142.5	69%	0.693	74%	0.743	S	S	*	*			cis	-155.2	150.4	-17.3	22.7	0	0	0	0	106.4
310	D	37.4	Very low	39	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	73%	0.734	S	S	*	*			cis	99.4	160	32.9	-143.1	-12.7	0	0	0	113.9
311	L	39.6	Very low	38.6	Very low	160 Å²	160	145 Å²	145	84%	0.838	74%	0.741	S	S	*	*			trans	78.5	110.2	-168.7	-56.5	163.8	0	0	0	114.9
312	V	39.1	Very low	38.4	Very low	126 Å²	126	142.3 Å²	142.3	76%	0.764	73%	0.734	S	S	*	*			cis	91.2	121.2	32.2	-178.9	0	0	0	0	114.7
313	G	35.4	Very low	38.2	Very low	61 Å²	61	146.2 Å²	146.2	63%	0.629	74%	0.74	S	S	*	*			trans	131	95.6	137	0	0	0	0	0	121.6
314	N	37.9	Very low	37.8	Very low	150 Å²	150	146.7 Å²	146.7	80%	0.802	74%	0.744	S	S	*	*				70.1	113	122.3	-63	-33.6	0	0	0	125.1
315	V	34.7	Very low	37.6	Very low	119 Å²	119	140.6 Å²	140.6	72%	0.721	75%	0.747	S	S	*	*				81.8	143.1	116.1	171.5	0	0	0	0	122.2
316	K	41.1	Very low	37.1	Very low	187 Å²	187	143.5 Å²	143.5	81%	0.813	75%	0.753	S	S	*	*			trans	71.7	124.2	173.5	-76.5	162.4	-179.3	178.3	0	115.6
317	R	37.7	Very low	36.8	Very low	232 Å²	232	149.8 Å²	149.8	88%	0.875	77%	0.765	S	S	*	*			cis	93.4	105.6	32.3	-76.2	-165.9	-172.6	-179.5	4.4	114.7
318	R	32.7	Very low	36.7	Very low	224 Å²	224	151.7 Å²	151.7	85%	0.845	77%	0.771	S	S	*	*			trans	60.3	154.7	154.8	-62.4	-172.7	179.5	177.2	-1.7	116.1
319	H	35.2	Very low	36.3	Very low	141 Å²	141	151.5 Å²	151.5	65%	0.653	78%	0.775	S	S	*	*			cis	-128.1	176	14.9	-109.3	97.8	0	0	0	112.9
320	E	33.9	Very low	36.5	Very low	141 Å²	141	153.9 Å²	153.9	66%	0.659	78%	0.778	S	S	*	*			trans	-9.6	158.3	146	-70.7	166.3	-140.7	0	0	119
321	Q	38.1	Very low	36.6	Very low	159 Å²	159	153.2 Å²	153.2	74%	0.743	78%	0.775	S	S	*	*			cis	-156.8	174.5	33.7	-141.6	154.5	68.2	0	0	113.6
322	S	33.4	Very low	36.4	Very low	89 Å²	89	150 Å²	150	62%	0.622	77%	0.765	S	S	*	*			trans	-18.5	147	169.2	-46.1	0	0	0	0	118.5
323	H	35.6	Very low	36.1	Very low	187 Å²	187	153.8 Å²	153.8	87%	0.866	77%	0.771	S	S	*	*				-158.4	163.1	53	-92.9	-86.9	0	0	0	114
324	S	32.3	Very low	36	Very low	115 Å²	115	154.2 Å²	154.2	80%	0.804	78%	0.776	S	S	*	*			trans	-95.4	145.8	175.7	49.5	0	0	0	0	113.6
325	G	38.6	Very low	35.9	Very low	83 Å²	83	152.8 Å²	152.8	86%	0.856	78%	0.778	S	S	*	*			trans	-126.2	116.2	168.1	0	0	0	0	0	110.6
326	F	28.4	Very low	35.9	Very low	191 Å²	191	153.2 Å²	153.2	84%	0.838	79%	0.786	S	S	*	*			trans	-100	144.5	175.9	-120.2	-97.1	0	0	0	109.5
327	Y	37.9	Very low	35.5	Very low	219 Å²	219	151.3 Å²	151.3	86%	0.859	79%	0.785	S	S	*	*			trans	-177.9	143.9	134.2	-101.9	-58.9	0	0	0	114.8
328	K	40.4	Very low	35.4	Very low	192 Å²	192	148.6 Å²	148.6	84%	0.835	78%	0.779	S	S	*	*			trans	73	111.6	157.5	-67.6	-179	177.8	-176	0	120.4
329	N	32.2	Very low	35.6	Very low	155 Å²	155	143.7 Å²	143.7	83%	0.829	78%	0.779	S	S	*	*			trans	-76.1	165.3	152.4	-74.3	-25.1	0	0	0	111.3
330	E	44.5	Very low	35.4	Very low	163 Å²	163	144 Å²	144	76%	0.762	79%	0.785	S	S	*	*			trans	-143.5	125.3	143.3	-94.9	-65.2	112	0	0	109.1
331	N	39.1	Very low	35.7	Very low	124 Å²	124	141.9 Å²	141.9	66%	0.663	79%	0.785	S	S	*	*			trans	27.4	144.4	141.5	-65	-38.4	0	0	0	121.8
332	C	36.7	Very low	35.5	Very low	93 Å²	93	140.6 Å²	140.6	63%	0.628	78%	0.783	S	S	*	*			cis	-169	-171.2	-12.6	-126.5	0	0	0	0	106.5
333	F	32.5	Very low	35.6	Very low	204 Å²	204	144.4 Å²	144.4	90%	0.895	80%	0.796	S	S	*	*			cis	-142.5	-167.8	7.5	-82.9	-70.4	0	0	0	108
334	G	33.6	Very low	35.5	Very low	71 Å²	71	142.9 Å²	142.9	73%	0.732	79%	0.794	S	S	*	*			trans	146.9	41.5	156.1	0	0	0	0	0	121
335	S	34.9	Very low	35.5	Very low	120 Å²	120	142.5 Å²	142.5	84%	0.839	78%	0.783	S	S	*	*			trans	39.9	98.3	156.2	-57.7	0	0	0	0	121
336	S	34	Very low	35.5	Very low	128 Å²	128	146.7 Å²	146.7	90%	0.895	78%	0.78	S	S	*	*				-175	131.3	123.5	-82.4	0	0	0	0	111.2
337	N	33.6	Very low	36.2	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	78%	0.783	S	S	*	*			trans	-128.3	119.9	-178.1	-106.4	-42.5	0	0	0	112.5
338	K	34.8	Very low	36.5	Very low	175 Å²	175	142.6 Å²	142.6	76%	0.761	78%	0.775	S	S	*	*			trans	37.1	119.6	142.8	-56.9	178.3	-175.5	-178.4	0	119.7
339	S	36.8	Very low	36.3	Very low	121 Å²	121	140.7 Å²	140.7	85%	0.846	77%	0.772	S	S	*	*				-121.5	125.8	114.2	58	0	0	0	0	108.3
340	I	32.4	Very low	36.9	Very low	149 Å²	149	141 Å²	141	76%	0.764	77%	0.769	S	S	*	*			trans	-110	128.9	173.4	-75.7	175	0	0	0	107.8
341	S	39.3	Very low	36.8	Very low	96 Å²	96	140.4 Å²	140.4	67%	0.671	77%	0.765	S	S	*	*			trans	-147.6	105.7	165.6	55.4	0	0	0	0	108.6
342	D	35.2	Very low	36.9	Very low	132 Å²	132	144.4 Å²	144.4	71%	0.706	77%	0.771	S	S	*	*			trans	64.4	75.7	144.7	-44.6	-39.7	0	0	0	118.6	N344	D342-N344 PolarHBondContact O-N 2.85Å; D342-N344 VanDerWaalsContact O-N 3.1Å; D342-N344 PolarHBondContact O-ND2 3.48Å; D342-N344 VanDerWaalsContact O-ND2 3.16Å
343	L	35.5	Very low	36.8	Very low	169 Å²	169	145.5 Å²	145.5	89%	0.885	77%	0.771	S	S	*	*			trans	16	78.8	132.5	-59.7	178	0	0	0	118.2	N345	L343-N345 PolarHBondContact O-N 3.26Å
344	N	32.2	Very low	37.1	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	76%	0.756	S	S	*	*			trans	-80.9	89	159.6	-76.4	-105.2	0	0	0	110.3	D342	D342-N344 PolarHBondContact O-N 2.85Å; D342-N344 VanDerWaalsContact O-N 3.1Å; D342-N344 PolarHBondContact O-ND2 3.48Å; D342-N344 VanDerWaalsContact O-ND2 3.16Å
345	N	33	Very low	37.2	Very low	108 Å²	108	142.5 Å²	142.5	58%	0.578	75%	0.748	S	S	*	*			trans	-160.4	77	171.6	-86.5	-44.4	0	0	0	113.2	L343 K348	L343-N345 PolarHBondContact O-N 3.26Å; N345-K348 PolarHBondContact OD1-NZ 3.06Å
346	E	39.3	Very low	37.6	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	73%	0.733	S	S	*	*	S	Bend	trans	-113.2	-44	163.7	-76.7	-93.3	84.7	0	0	111.1	K348	E346-K348 PolarHBondContact O-N 3.48Å
347	D	41.7	Very low	37.8	Very low	167 Å²	167	142.1 Å²	142.1	89%	0.893	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	30.1	-171.8	-57.6	-55.4	0	0	0	117.2
348	K	44	Very low	38.2	Very low	157 Å²	157	141.9 Å²	141.9	68%	0.683	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	5.7	-172.7	-76.7	-179.7	-171.1	151.7	0	116.6	N345 E346	N345-K348 PolarHBondContact OD1-NZ 3.06Å; E346-K348 PolarHBondContact O-N 3.48Å
349	I	37.9	Very low	38.2	Very low	151 Å²	151	137.2 Å²	137.2	77%	0.774	72%	0.716	S	S	*	*	S	Bend	trans	-98	-30.2	-176	-63.6	179.1	0	0	0	113
350	E	44.4	Very low	38.2	Very low	163 Å²	163	139.1 Å²	139.1	76%	0.762	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-81.6	-21	-174.7	-70.7	-150.4	123.8	0	0	116.6	R352	E350-R352 PolarHBondContact O-N 3.43Å; E350-R352 VanDerWaalsContact O-N 3.1Å
351	E	42.2	Very low	38.5	Very low	149 Å²	149	140.7 Å²	140.7	70%	0.696	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-68.3	-16	-170	-150.3	-158	141.9	0	0	113.9	K63	K63-E351 IonicContact NZ-OE1 2.76Å
352	R	40.1	Very low	38.2	Very low	209 Å²	209	141.3 Å²	141.3	79%	0.789	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-79	-26.5	-167.3	-149.6	174	75.7	146.9	0.5	114.9	E350	E350-R352 PolarHBondContact O-N 3.43Å; E350-R352 VanDerWaalsContact O-N 3.1Å
353	D	35.5	Very low	38	Very low	115 Å²	115	141.2 Å²	141.2	62%	0.615	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-18.5	-171.8	-69.6	-15.4	0	0	0	113.7	Y355 T356	D353-Y355 VanDerWaalsContact C-N 3.26Å; D353-Y355 PolarHBondContact O-N 2.93Å; D353-T356 PolarHBondContact O-N 3.07Å
354	A	39.1	Very low	38.1	Very low	71 Å²	71	143 Å²	143	59%	0.587	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-29.8	176.4	0	0	0	0	0	113.6
355	Y	34.9	Very low	38	Very low	142 Å²	142	146.6 Å²	146.6	56%	0.557	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-14.9	-174.9	-120.9	-84	0	0	0	114.6	K63 D353	K63-Y355 HydrophobicContact CD-CE2 4.17Å; D353-Y355 VanDerWaalsContact C-N 3.26Å; D353-Y355 PolarHBondContact O-N 2.93Å
356	T	42.5	Very low	38.1	Very low	86 Å²	86	149.7 Å²	149.7	53%	0.528	75%	0.746	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	-34	-173.7	-57.1	0	0	0	0	112.4	D353 L358 S359	D353-T356 PolarHBondContact O-N 3.07Å; T356-L358 VanDerWaalsContact C-N 3.28Å; T356-L358 PolarHBondContact O-N 2.87Å; T356-S359 PolarHBondContact O-N 3.13Å
357	L	39.3	Very low	37.7	Very low	153 Å²	153	145.1 Å²	145.1	80%	0.801	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-13.6	-171.1	-63.1	177.1	0	0	0	115
358	L	41.1	Very low	37.4	Very low	141 Å²	141	143.7 Å²	143.7	74%	0.738	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	4	-178.2	-66.9	172.9	0	0	0	114.3	T356	T356-L358 VanDerWaalsContact C-N 3.28Å; T356-L358 PolarHBondContact O-N 2.87Å
359	S	36.2	Very low	36.7	Very low	77 Å²	77	146.9 Å²	146.9	54%	0.538	75%	0.745	S	S	.	*			trans	-131.5	26.3	-165.6	-170.6	0	0	0	0	116.7	T356	T356-S359 PolarHBondContact O-N 3.13Å
360	L	36.4	Very low	36.4	Very low	161 Å²	161	144.7 Å²	144.7	84%	0.843	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-97.2	141.9	173.3	-68.2	178	0	0	0	113.3
361	K	38	Very low	35.8	Very low	183 Å²	183	140.8 Å²	140.8	80%	0.796	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-85.8	163.6	-172.6	-100.6	67.2	174.3	-178.2	0	112.8
362	S	34.6	Very low	35.4	Very low	108 Å²	108	139.9 Å²	139.9	76%	0.755	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-51.6	143.2	-177.9	-47.2	0	0	0	0	114.3
363	P	30.2	Very low	35.1	Very low	130 Å²	130	141.8 Å²	141.8	84%	0.844	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-69	141.5	-175	28.3	-35.7	0	0	0	113
364	K	38.4	Very low	34.7	Very low	207 Å²	207	143.4 Å²	143.4	90%	0.9	75%	0.75	S	S	*	*			trans	-123.8	160	163.4	-74.1	-174.3	176.4	-179.5	0	109.5
365	R	29.8	Very low	34.3	Very low	229 Å²	229	145 Å²	145	86%	0.864	76%	0.757	S	S	*	*			trans	-95.6	164.6	-157.7	-58.6	178.2	170.1	-168.6	-4	114.2
366	L	33.6	Very low	34.2	Very low	173 Å²	173	142 Å²	142	91%	0.906	76%	0.757	S	S	*	*			trans	73.9	134.1	153	-69.7	147	0	0	0	118.1
367	G	30.6	Very low	33.6	Very low	76 Å²	76	148 Å²	148	78%	0.784	77%	0.771	S	S	*	*			trans	138.1	115.9	158.5	0	0	0	0	0	115.2
368	D	35.7	Very low	33	Very low	137 Å²	137	147.6 Å²	147.6	73%	0.733	77%	0.77	S	S	*	*			trans	-28.1	159.3	176	-79.3	-84.3	0	0	0	123.3
369	R	29.6	Very low	32.8	Very low	224 Å²	224	148.9 Å²	148.9	85%	0.845	77%	0.772	S	S	*	*			trans	26.9	149.6	131.3	-51.6	167.7	-177.4	-118.3	-1.5	119.8
370	S	31.3	Very low	32.6	Very low	105 Å²	105	151.7 Å²	151.7	73%	0.734	78%	0.781	S	S	*	*			cis	-152.3	172.7	18.3	-157.1	0	0	0	0	113.4
371	S	31.7	Very low	32.7	Very low	80 Å²	80	151.8 Å²	151.8	56%	0.559	78%	0.777	S	S	*	*			trans	-23.8	167.2	166.9	59	0	0	0	0	122.4
372	D	34.2	Very low	32.7	Very low	131 Å²	131	149.2 Å²	149.2	70%	0.701	77%	0.772	S	S	*	*			trans	76.4	130.5	162	-41.6	-56	0	0	0	114.9
373	W	33.4	Very low	32.7	Very low	248 Å²	248	151 Å²	151	94%	0.939	77%	0.772	S	S	*	*			cis	-138.6	169.2	40.9	-89.5	67.7	0	0	0	115.1
374	N	28.5	Very low	33.5	Very low	149 Å²	149	149.4 Å²	149.4	80%	0.797	77%	0.77	S	S	*	*			trans	-112	-171.6	176	-165.6	8.1	0	0	0	110.9
375	S	31	Very low	33.6	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	77%	0.765	S	S	*	*			trans	87.1	139.8	172.7	-72.2	0	0	0	0	117.6
376	S	31.7	Very low	34.7	Very low	80 Å²	80	142.6 Å²	142.6	56%	0.559	77%	0.766	S	S	*	*			cis	-167.9	171.5	-15.2	-157.1	0	0	0	0	113.9
377	Y	30.4	Very low	35.1	Very low	213 Å²	213	141.4 Å²	141.4	84%	0.835	76%	0.76	S	S	*	*			trans	76.4	140.1	154	-64.8	-58	0	0	0	121.3
378	N	27.5	Very low	35.4	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	76%	0.757	S	S	*	*			trans	-164.9	111.8	-177.7	177.8	75.9	0	0	0	108
379	E	35.6	Very low	35.6	Very low	169 Å²	169	141.6 Å²	141.6	79%	0.79	76%	0.759	S	S	*	*			trans	-137.9	120.5	173.9	-65.8	-176.7	147.2	0	0	105.7
380	N	31.3	Very low	36.1	Very low	136 Å²	136	138 Å²	138	73%	0.727	76%	0.757	S	S	*	*				63.4	124.3	74.4	-67.2	2.6	0	0	0	110.6
381	E	39.8	Very low	36.7	Very low	162 Å²	162	137.9 Å²	137.9	76%	0.757	76%	0.756	S	S	*	*			cis	-165.7	175.8	47.2	-69.9	-168.1	160.9	0	0	113.7
382	N	38	Very low	37.1	Very low	129 Å²	129	141.6 Å²	141.6	69%	0.69	77%	0.769	S	S	*	*			trans	64.5	117.9	156.8	-54.9	-44.2	0	0	0	118.2
383	L	35.1	Very low	37.2	Very low	145 Å²	145	138.8 Å²	138.8	76%	0.759	77%	0.772	S	S	*	*			cis	85.3	106.5	42.2	-172.4	71.4	0	0	0	113.7
384	A	46.2	Very low	37.4	Very low	97 Å²	97	136.3 Å²	136.3	80%	0.802	77%	0.77	S	S	*	*			trans	-161.4	113.4	158.6	0	0	0	0	0	109.7
385	D	41.3	Very low	37.7	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	77%	0.773	S	S	*	*			trans	-83.6	145.9	173.5	-58.7	-74.4	0	0	0	111.4
386	V	53.2	Low	37.9	Very low	146 Å²	146	135.5 Å²	135.5	89%	0.885	78%	0.776	S	S	*	*			trans	-138.8	125	163.5	-178.1	0	0	0	0	108.4
387	D	41.4	Very low	37.9	Very low	148 Å²	148	142.9 Å²	142.9	79%	0.791	79%	0.794	S	S	*	*			trans	-93	173.6	-173.1	-162.5	9.4	0	0	0	113.1
388	C	36.9	Very low	37.9	Very low	107 Å²	107	140.3 Å²	140.3	72%	0.723	80%	0.795	S	S	*	*			trans	-73.8	158.9	-167.8	-51.1	0	0	0	0	115
389	S	39.8	Very low	38.2	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	80%	0.798	S	S	*	*				-170	128.6	126.3	19.5	0	0	0	0	114.6
390	D	40	Very low	38.2	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	81%	0.805	S	S	*	*			trans	55.8	111.3	130.9	-66.2	11.6	0	0	0	123.5
391	S	43.4	Very low	38.3	Very low	102 Å²	102	140.3 Å²	140.3	71%	0.713	81%	0.81	S	S	*	*				129.5	147.2	104.7	-87.5	0	0	0	0	119.2
392	N	39.9	Very low	38.4	Very low	157 Å²	157	139.1 Å²	139.1	84%	0.84	81%	0.809	S	S	*	*			trans	61.3	78.8	161.7	-65.2	-8.8	0	0	0	118.8
393	G	36.1	Very low	38.6	Very low	73 Å²	73	141.6 Å²	141.6	75%	0.753	82%	0.816	S	S	*	*			trans	-75.5	-162.3	167.7	0	0	0	0	0	116.8
394	H	38.8	Very low	38.8	Very low	196 Å²	196	141.7 Å²	141.7	91%	0.907	82%	0.818	S	S	*	*			trans	-146.1	160.7	168.2	-105.9	-73.9	0	0	0	110.5
395	T	33.5	Very low	38.5	Very low	137 Å²	137	140.3 Å²	140.3	84%	0.84	80%	0.801	S	S	*	*			trans	-82.4	125.6	-170.3	50.8	0	0	0	0	113.9
396	A	35.8	Very low	38.5	Very low	98 Å²	98	136.4 Å²	136.4	81%	0.81	79%	0.786	S	S	*	*			trans	-145.1	138.6	153.6	0	0	0	0	0	109.3
397	Y	31.2	Very low	38.1	Very low	235 Å²	235	132.6 Å²	132.6	92%	0.922	77%	0.765	S	S	*	*			trans	-88.1	158.8	167.8	-89.1	-105	0	0	0	109.8
398	D	31.2	Very low	38.4	Very low	160 Å²	160	131.8 Å²	131.8	86%	0.856	76%	0.757	S	S	*	*			trans	80.5	157.9	171.2	-128	-32.6	0	0	0	117.6
399	M	33.8	Very low	38.9	Very low	171 Å²	171	128.5 Å²	128.5	84%	0.842	73%	0.731	S	S	*	*			trans	67.5	66.6	174.1	-60.6	-174.4	59.4	0	0	120.9
400	V	36.5	Very low	39.4	Very low	153 Å²	153	126.2 Å²	126.2	93%	0.927	71%	0.712	S	S	*	*			trans	-146.4	89.4	147	-170.4	0	0	0	0	112.5
401	C	33.2	Very low	39.9	Very low	123 Å²	123	124.5 Å²	124.5	83%	0.831	70%	0.699	S	S	*	*			trans	-171.6	80.1	154.5	-161.9	0	0	0	0	113.2
402	D	40.5	Very low	40.6	Very low	138 Å²	138	123.7 Å²	123.7	74%	0.738	69%	0.686	S	S	*	*	S	Bend	trans	-140.3	-28.4	175.3	-112.6	-42	0	0	0	115	C405	D402-C405 PolarHBondContact O-N 3.03Å
403	Q	43.3	Very low	41.4	Very low	180 Å²	180	118.6 Å²	118.6	84%	0.841	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-29.8	-168.7	-75.1	163.7	-23.3	0	0	115.2	S406	Q403-S406 PolarHBondContact O-OG 3.17Å
404	N	39	Very low	42.1	Very low	148 Å²	148	122.2 Å²	122.2	79%	0.791	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-16.3	172.4	-81.7	-9.8	0	0	0	113.4	Q408	N404-Q408 PolarHBondContact O-N 3.11Å
405	C	38.9	Very low	43.2	Very low	68 Å²	68	116.6 Å²	116.6	46%	0.459	63%	0.629	S	S	.	*	H	α-helix	trans	-68.7	-38.8	-176.1	-169	0	0	0	0	112	D402 S407 Q408 E409	D402-C405 PolarHBondContact O-N 3.03Å; C405-S407 PolarHBondContact O-N 3.11Å; C405-Q408 PolarHBondContact O-N 2.92Å; C405-E409 VanDerWaalsContact O-CB 3.27Å; C405-E409 WeakPolarHBondContact O-CB 3.35Å; C405-E409 PolarHBondContact O-N 3.45Å
406	S	42	Very low	44.1	Very low	65 Å²	65	112 Å²	112	46%	0.455	60%	0.599	S	S	.	*	H	α-helix	trans	-64.8	-39.1	-178.2	59.9	0	0	0	0	113.8	Q403 E409 T410	Q403-S406 PolarHBondContact O-OG 3.17Å; S406-E409 PolarHBondContact O-N 2.83Å; S406-T410 WeakPolarHBondContact O-CB 3.33Å; S406-T410 WeakPolarHBondContact O-CG2 3.47Å; S406-T410 PolarHBondContact O-N 3.36Å; S406-T410 PolarHBondContact O-OG1 3.47Å
407	S	45.8	Very low	44.9	Very low	66 Å²	66	110.6 Å²	110.6	46%	0.462	58%	0.58	S	S	.	*	H	α-helix	trans	-68.9	-39.9	177.3	-169.6	0	0	0	0	111.4	C405 T410 Q411	C405-S407 PolarHBondContact O-N 3.11Å; S407-T410 WeakPolarHBondContact CA-OG1 3.21Å; S407-T410 PolarHBondContact O-N 3.5Å; S407-T410 PolarHBondContact O-OG1 2.88Å; S407-Q411 WeakPolarHBondContact O-CG 3.48Å; S407-Q411 PolarHBondContact O-N 2.71Å
408	Q	47.5	Very low	45.9	Very low	130 Å²	130	104.1 Å²	104.1	61%	0.607	56%	0.562	S	S	*	*	H	α-helix	trans	-69.5	-41.1	174.3	-159.9	173.9	61.4	0	0	111.8	N404 C405 T410 Q411 I412	N404-Q408 PolarHBondContact O-N 3.11Å; C405-Q408 PolarHBondContact O-N 2.92Å; Q408-T410 VanDerWaalsContact C-N 3.34Å; Q408-T410 PolarHBondContact O-N 3.25Å; Q408-Q411 PolarHBondContact O-N 3.3Å; Q408-I412 HydrophobicContact CG-CD1 4.36Å; Q408-I412 VanDerWaalsContact O-CG1 3.28Å; Q408-I412 WeakPolarHBondContact O-CG1 3.39Å; Q408-I412 PolarHBondContact O-N 2.69Å
409	E	46.5	Very low	47	Very low	39 Å²	39	101.9 Å²	101.9	18%	0.182	55%	0.546	C	S	.	.	H	α-helix	trans	-59.6	-41.7	174.5	-174.5	171.2	-130.3	0	0	111.3	H40 R47 C405 S406 I412 I413	H40-E409 VanDerWaalsContact CE1-CG 3.41Å; H40-E409 WeakPolarHBondContact CE1-CG 3.12Å; H40-E409 IonicContact CE1-OE1 3.46Å; H40-E409 PolarHBondContact CE1-OE1 3.42Å; H40-E409 IonicContact ND1-OE1 2.82Å; H40-E409 PolarHBondContact ND1-OE1 3.33Å; R47-E409 IonicContact CZ-OE2 2.73Å; R47-E409 VanDerWaalsContact CZ-OE2 3.29Å; R47-E409 IonicContact NH1-OE1 3.11Å; R47-E409 IonicContact NH1-OE2 3.52Å; R47-E409 PolarHBondContact NH1-OE2 2.95Å; R47-E409 IonicContact NH2-OE1 2.71Å; R47-E409 IonicContact NH2-OE2 3.4Å; R47-E409 PolarHBondContact NH2-OE2 3.46Å; C405-E409 VanDerWaalsContact O-CB 3.27Å; C405-E409 WeakPolarHBondContact O-CB 3.35Å; C405-E409 PolarHBondContact O-N 3.45Å; S406-E409 PolarHBondContact O-N 2.83Å; E409-I412 PolarHBondContact O-N 2.93Å; E409-I413 HydrophobicContact CG-CD1 4.47Å; E409-I413 VanDerWaalsContact O-CG1 3.31Å; E409-I413 WeakPolarHBondContact O-CG1 3.25Å; E409-I413 PolarHBondContact O-N 3.36Å
410	T	50.9	Low	47.6	Very low	62 Å²	62	97.4 Å²	97.4	38%	0.38	53%	0.525	S	S	.	.	H	α-helix	trans	-73	-33.4	176.9	50.5	0	0	0	0	113.9	S406 S407 Q408 I412 I413 R414	S406-T410 WeakPolarHBondContact O-CB 3.33Å; S406-T410 WeakPolarHBondContact O-CG2 3.47Å; S406-T410 PolarHBondContact O-N 3.36Å; S406-T410 PolarHBondContact O-OG1 3.47Å; S407-T410 WeakPolarHBondContact CA-OG1 3.21Å; S407-T410 PolarHBondContact O-N 3.5Å; S407-T410 PolarHBondContact O-OG1 2.88Å; Q408-T410 VanDerWaalsContact C-N 3.34Å; Q408-T410 PolarHBondContact O-N 3.25Å; T410-I412 VanDerWaalsContact C-N 3.34Å; T410-I413 HydrophobicContact CG2-CD1 4.49Å; T410-I413 PolarHBondContact O-N 3.14Å; T410-R414 WeakPolarHBondContact O-CG 3.29Å; T410-R414 PolarHBondContact O-N 3.27Å
411	Q	50.8	Low	48.1	Very low	113 Å²	113	93.4 Å²	93.4	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-39.7	169.1	-73.4	-178.7	11.5	0	0	111.8	S407 Q408 R414 T415	S407-Q411 WeakPolarHBondContact O-CG 3.48Å; S407-Q411 PolarHBondContact O-N 2.71Å; Q408-Q411 PolarHBondContact O-N 3.3Å; Q411-R414 PolarHBondContact O-N 3.38Å; Q411-T415 WeakPolarHBondContact O-CB 3.4Å; Q411-T415 PolarHBondContact O-N 3Å; Q411-T415 PolarHBondContact O-OG1 3.46Å
412	I	58.5	Low	48.4	Very low	85 Å²	85	93 Å²	93	44%	0.436	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-44	173.9	-69.5	164.3	0	0	0	110.6	Q408 E409 T410 T415 L416	Q408-I412 HydrophobicContact CG-CD1 4.36Å; Q408-I412 VanDerWaalsContact O-CG1 3.28Å; Q408-I412 WeakPolarHBondContact O-CG1 3.39Å; Q408-I412 PolarHBondContact O-N 2.69Å; E409-I412 PolarHBondContact O-N 2.93Å; T410-I412 VanDerWaalsContact C-N 3.34Å; I412-T415 PolarHBondContact O-N 2.91Å; I412-L416 HydrophobicContact CG2-CD1 3.7Å; I412-L416 HydrophobicContact CG2-CG 4.19Å; I412-L416 WeakPolarHBondContact O-CB 3.23Å; I412-L416 WeakPolarHBondContact O-CG 3.33Å; I412-L416 PolarHBondContact O-N 3.45Å
413	I	55.1	Low	48.4	Very low	50 Å²	50	89.2 Å²	89.2	26%	0.256	48%	0.479	S	S	.	.	H	α-helix	trans	-57.3	-50.2	173.1	-69.1	164.1	0	0	0	111.2	H40 L44 E409 T410 T415 L416 T417	H40-I413 VanDerWaalsContact NE2-CG1 3.28Å; H40-I413 WeakPolarHBondContact NE2-CG1 3.43Å; L44-I413 HydrophobicContact CD1-CD1 4.11Å; L44-I413 HydrophobicContact CD2-CD1 4.44Å; E409-I413 HydrophobicContact CG-CD1 4.47Å; E409-I413 VanDerWaalsContact O-CG1 3.31Å; E409-I413 WeakPolarHBondContact O-CG1 3.25Å; E409-I413 PolarHBondContact O-N 3.36Å; T410-I413 HydrophobicContact CG2-CD1 4.49Å; T410-I413 PolarHBondContact O-N 3.14Å; I413-T415 VanDerWaalsContact C-N 3.29Å; I413-T415 PolarHBondContact O-N 2.88Å; I413-L416 PolarHBondContact O-N 2.89Å; I413-T417 VanDerWaalsContact O-CB 3.24Å; I413-T417 WeakPolarHBondContact O-CB 3.37Å; I413-T417 PolarHBondContact O-N 2.87Å; I413-T417 PolarHBondContact O-OG1 2.95Å
414	R	51.8	Low	48.5	Very low	150 Å²	150	88.2 Å²	88.2	57%	0.566	47%	0.474	S	S	*	.	H	α-helix	trans	-56.7	-45.7	178.8	-73.1	171.2	-179.8	177.8	1.2	110.4	T410 Q411 N418	T410-R414 WeakPolarHBondContact O-CG 3.29Å; T410-R414 PolarHBondContact O-N 3.27Å; Q411-R414 PolarHBondContact O-N 3.38Å; R414-N418 VanDerWaalsContact O-CG 3.31Å; R414-N418 PolarHBondContact O-N 3.24Å; R414-N418 VanDerWaalsContact O-N 3.12Å; R414-N418 PolarHBondContact O-ND2 3.43Å
415	T	62.5	Low	48.5	Very low	77 Å²	77	86.1 Å²	86.1	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-50.3	-178.5	-56.9	0	0	0	0	112.6	Q411 I412 I413 T417 N418 Q419	Q411-T415 WeakPolarHBondContact O-CB 3.4Å; Q411-T415 PolarHBondContact O-N 3Å; Q411-T415 PolarHBondContact O-OG1 3.46Å; I412-T415 PolarHBondContact O-N 2.91Å; I413-T415 VanDerWaalsContact C-N 3.29Å; I413-T415 PolarHBondContact O-N 2.88Å; T415-T417 VanDerWaalsContact C-N 3.34Å; T415-T417 PolarHBondContact O-N 3.08Å; T415-N418 PolarHBondContact O-N 3.47Å; T415-Q419 WeakPolarHBondContact O-CG 3.15Å; T415-Q419 PolarHBondContact O-N 3.36Å; T415-Q419 VanDerWaalsContact O-N 3.08Å
416	L	52	Low	48.4	Very low	42 Å²	42	86 Å²	86	22%	0.22	48%	0.481	C	S	.	.	H	α-helix	trans	-66.5	-35	178.8	-69.2	176.8	0	0	0	112	Q37 I412 I413 Q419 L420	Q37-L416 HydrophobicContact CG-CD1 4.37Å; I412-L416 HydrophobicContact CG2-CD1 3.7Å; I412-L416 HydrophobicContact CG2-CG 4.19Å; I412-L416 WeakPolarHBondContact O-CB 3.23Å; I412-L416 WeakPolarHBondContact O-CG 3.33Å; I412-L416 PolarHBondContact O-N 3.45Å; I413-L416 PolarHBondContact O-N 2.89Å; L416-Q419 PolarHBondContact O-N 3.24Å; L416-L420 WeakPolarHBondContact O-CB 3.43Å; L416-L420 WeakPolarHBondContact O-CG 3.36Å; L416-L420 PolarHBondContact O-N 3.21Å
417	T	51.5	Low	48.3	Very low	67 Å²	67	87.5 Å²	87.5	41%	0.411	48%	0.481	S	S	.	.	H	α-helix	trans	-62.2	-44.9	174.5	-57.4	0	0	0	0	110.7	I413 T415 Q419 L420 T421	I413-T417 VanDerWaalsContact O-CB 3.24Å; I413-T417 WeakPolarHBondContact O-CB 3.37Å; I413-T417 PolarHBondContact O-N 2.87Å; I413-T417 PolarHBondContact O-OG1 2.95Å; T415-T417 VanDerWaalsContact C-N 3.34Å; T415-T417 PolarHBondContact O-N 3.08Å; T417-Q419 VanDerWaalsContact C-N 3.34Å; T417-Q419 PolarHBondContact O-N 2.9Å; T417-L420 PolarHBondContact O-N 2.95Å; T417-L420 VanDerWaalsContact O-N 3.15Å; T417-T421 PolarHBondContact O-N 2.82Å; T417-T421 PolarHBondContact O-OG1 2.84Å
418	N	51.8	Low	47.8	Very low	99 Å²	99	89.8 Å²	89.8	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-35.2	176.6	-70.7	-16.4	0	0	0	112.9	R414 T415 T421 N422	R414-N418 VanDerWaalsContact O-CG 3.31Å; R414-N418 PolarHBondContact O-N 3.24Å; R414-N418 VanDerWaalsContact O-N 3.12Å; R414-N418 PolarHBondContact O-ND2 3.43Å; T415-N418 PolarHBondContact O-N 3.47Å; N418-T421 WeakPolarHBondContact CA-OG1 3.36Å; N418-T421 PolarHBondContact O-OG1 3.3Å; N418-T421 VanDerWaalsContact O-OG1 3.11Å; N418-N422 WeakPolarHBondContact O-CB 3.2Å; N418-N422 VanDerWaalsContact O-CG 3.22Å; N418-N422 PolarHBondContact O-N 3.5Å; N418-N422 VanDerWaalsContact O-N 3.12Å; N418-N422 PolarHBondContact O-ND2 3.49Å
419	Q	54.3	Low	47.4	Very low	113 Å²	113	87.1 Å²	87.1	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-66	-40.8	172	-68.2	174.7	13.8	0	0	111.8	T415 L416 T417 A423	T415-Q419 WeakPolarHBondContact O-CG 3.15Å; T415-Q419 PolarHBondContact O-N 3.36Å; T415-Q419 VanDerWaalsContact O-N 3.08Å; L416-Q419 PolarHBondContact O-N 3.24Å; T417-Q419 VanDerWaalsContact C-N 3.34Å; T417-Q419 PolarHBondContact O-N 2.9Å; Q419-A423 WeakPolarHBondContact O-CB 3.38Å; Q419-A423 PolarHBondContact O-N 3.46Å
420	L	48.1	Very low	47.3	Very low	77 Å²	77	93.7 Å²	93.7	40%	0.403	51%	0.513	S	S	.	.	H	α-helix	trans	-73.3	-28.7	-179.9	-72.5	170.6	0	0	0	114	L416 T417 Q424	L416-L420 WeakPolarHBondContact O-CB 3.43Å; L416-L420 WeakPolarHBondContact O-CG 3.36Å; L416-L420 PolarHBondContact O-N 3.21Å; T417-L420 PolarHBondContact O-N 2.95Å; T417-L420 VanDerWaalsContact O-N 3.15Å; L420-Q424 WeakPolarHBondContact O-CG 3.5Å; L420-Q424 PolarHBondContact O-NE2 3.25Å
421	T	45.5	Very low	46.9	Very low	69 Å²	69	98.4 Å²	98.4	42%	0.423	53%	0.531	S	S	.	.	H	α-helix	trans	-76.7	-44.2	172.7	52.3	0	0	0	0	111.5	T417 N418 A423 Q424 S425	T417-T421 PolarHBondContact O-N 2.82Å; T417-T421 PolarHBondContact O-OG1 2.84Å; N418-T421 WeakPolarHBondContact CA-OG1 3.36Å; N418-T421 PolarHBondContact O-OG1 3.3Å; N418-T421 VanDerWaalsContact O-OG1 3.11Å; T421-A423 VanDerWaalsContact C-N 3.31Å; T421-A423 PolarHBondContact O-N 2.9Å; T421-Q424 WeakPolarHBondContact O-CB 3.41Å; T421-Q424 PolarHBondContact O-N 3.06Å; T421-S425 PolarHBondContact O-N 2.83Å
422	N	40.7	Very low	46.5	Very low	114 Å²	114	100.7 Å²	100.7	61%	0.61	54%	0.539	S	S	*	.	H	α-helix	trans	-60.6	-39.5	174.9	-72.7	-17.5	0	0	0	111.9	N418 Q424 S425	N418-N422 WeakPolarHBondContact O-CB 3.2Å; N418-N422 VanDerWaalsContact O-CG 3.22Å; N418-N422 PolarHBondContact O-N 3.5Å; N418-N422 VanDerWaalsContact O-N 3.12Å; N418-N422 PolarHBondContact O-ND2 3.49Å; N422-Q424 PolarHBondContact O-N 3.17Å; N422-Q424 VanDerWaalsContact O-N 3.17Å; N422-S425 PolarHBondContact O-N 3.03Å; N422-S425 VanDerWaalsContact O-N 3.11Å; N422-S425 PolarHBondContact O-OG 2.98Å
423	A	39.9	Very low	45.6	Very low	60 Å²	60	103.6 Å²	103.6	50%	0.496	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.7	-20.2	174.3	0	0	0	0	0	114	Q419 T421	Q419-A423 WeakPolarHBondContact O-CB 3.38Å; Q419-A423 PolarHBondContact O-N 3.46Å; T421-A423 VanDerWaalsContact C-N 3.31Å; T421-A423 PolarHBondContact O-N 2.9Å
424	Q	45.6	Very low	44.8	Very low	159 Å²	159	110 Å²	110	74%	0.743	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-10.5	176.5	-73.4	172.6	73.2	0	0	113.6	L420 T421 N422	L420-Q424 WeakPolarHBondContact O-CG 3.5Å; L420-Q424 PolarHBondContact O-NE2 3.25Å; T421-Q424 WeakPolarHBondContact O-CB 3.41Å; T421-Q424 PolarHBondContact O-N 3.06Å; N422-Q424 PolarHBondContact O-N 3.17Å; N422-Q424 VanDerWaalsContact O-N 3.17Å
425	S	40	Very low	44.4	Very low	103 Å²	103	113.1 Å²	113.1	72%	0.72	59%	0.587	S	S	*	*	S	Bend	trans	-87.8	-11	-178.8	64	0	0	0	0	114.8	T421 N422	T421-S425 PolarHBondContact O-N 2.83Å; N422-S425 PolarHBondContact O-N 3.03Å; N422-S425 VanDerWaalsContact O-N 3.11Å; N422-S425 PolarHBondContact O-OG 2.98Å
426	G	36.9	Very low	43.4	Very low	65 Å²	65	115 Å²	115	67%	0.67	59%	0.593	S	S	*	*	S	Bend	trans	-108.3	-17.8	-168.6	0	0	0	0	0	118.1	P428	G426-P428 WeakPolarHBondContact O-CD 3.24Å
427	E	38.7	Very low	42.8	Very low	98 Å²	98	124.5 Å²	124.5	46%	0.458	63%	0.626	S	S	.	*			trans	-120.8	97.7	-163.2	-137.2	-59.2	120.1	0	0	113.4	S429 R430	E427-S429 VanDerWaalsContact C-N 3.32Å; E427-S429 PolarHBondContact O-N 3.05Å; E427-S429 WeakPolarHBondContact OE1-CB 3.31Å; E427-S429 PolarHBondContact OE1-OG 3.42Å; E427-S429 WeakPolarHBondContact OE2-CA 3.24Å; E427-S429 VanDerWaalsContact OE2-CB 3.23Å; E427-S429 WeakPolarHBondContact OE2-CB 3.32Å; E427-S429 PolarHBondContact OE2-N 3.49Å; E427-R430 PolarHBondContact OE2-N 3.47Å
428	P	36.2	Very low	42.4	Very low	113 Å²	113	133 Å²	133	73%	0.734	65%	0.65	S	S	*	*			trans	-83.9	3.4	-179.2	33.6	-35.8	0	0	0	114.5	G426	G426-P428 WeakPolarHBondContact O-CD 3.24Å
429	S	39.1	Very low	41.9	Very low	75 Å²	75	132.2 Å²	132.2	52%	0.524	66%	0.658	S	S	.	*	S	Bend	trans	-97	-41.4	-165.6	-43.4	0	0	0	0	113.7	E427 Q431	E427-S429 VanDerWaalsContact C-N 3.32Å; E427-S429 PolarHBondContact O-N 3.05Å; E427-S429 WeakPolarHBondContact OE1-CB 3.31Å; E427-S429 PolarHBondContact OE1-OG 3.42Å; E427-S429 WeakPolarHBondContact OE2-CA 3.24Å; E427-S429 VanDerWaalsContact OE2-CB 3.23Å; E427-S429 WeakPolarHBondContact OE2-CB 3.32Å; E427-S429 PolarHBondContact OE2-N 3.49Å; S429-Q431 PolarHBondContact O-N 2.83Å
430	R	43	Very low	41.4	Very low	177 Å²	177	131.7 Å²	131.7	67%	0.668	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-74.9	-17.1	-172.6	-75.9	-167.8	171	-135.7	1.6	115.8	E427 K432	E427-R430 PolarHBondContact OE2-N 3.47Å; R430-K432 PolarHBondContact O-N 3.21Å
431	Q	42.5	Very low	41.2	Very low	160 Å²	160	135.6 Å²	135.6	75%	0.748	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-65.1	-6	-174.1	-137.1	71.3	-3.4	0	0	116.1	S429	S429-Q431 PolarHBondContact O-N 2.83Å
432	K	42	Very low	40.8	Very low	161 Å²	161	139.2 Å²	139.2	70%	0.7	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-82	-27.9	-174	-72.7	178	179	169.7	0	114.9	R430 Y434 R435	R430-K432 PolarHBondContact O-N 3.21Å; K432-Y434 PolarHBondContact O-N 3.36Å; K432-R435 PolarHBondContact O-N 3.02Å
433	M	41.6	Very low	41	Very low	147 Å²	147	140.8 Å²	140.8	72%	0.724	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-68.3	-35.8	-169.1	-69.9	-64.4	-88.1	0	0	113.8	R435 L436	M433-R435 PolarHBondContact O-N 2.83Å; M433-R435 VanDerWaalsContact O-N 3.15Å; M433-L436 PolarHBondContact O-N 3Å; M433-L436 HydrophobicContact SD-CD1 4.25Å
434	Y	37.3	Very low	41.1	Very low	183 Å²	183	146.6 Å²	146.6	72%	0.718	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-70.5	-7.6	-178.2	-91.1	-82	0	0	0	115	D80 K432	D80-Y434 PolarHBondContact OD2-OH 3.38Å; K432-Y434 PolarHBondContact O-N 3.36Å
435	R	43.1	Very low	40.7	Very low	217 Å²	217	144.1 Å²	144.1	82%	0.819	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-94.9	-16.7	176	-70.9	-176.1	175.1	164.6	1.1	114.4	K432 M433 R437	K432-R435 PolarHBondContact O-N 3.02Å; M433-R435 PolarHBondContact O-N 2.83Å; M433-R435 VanDerWaalsContact O-N 3.15Å; R435-R437 PolarHBondContact O-N 2.71Å
436	L	40.8	Very low	40.8	Very low	117 Å²	117	145.2 Å²	145.2	61%	0.613	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-77.8	-14.6	-171	-75.9	164.1	0	0	0	115	M433 R438	M433-L436 PolarHBondContact O-N 3Å; M433-L436 HydrophobicContact SD-CD1 4.25Å; L436-R438 PolarHBondContact O-N 3.05Å
437	R	40.3	Very low	40.9	Very low	240 Å²	240	150.5 Å²	150.5	91%	0.906	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-81.4	-3.7	-179.8	-165	172.2	-79.2	177.7	-1.4	114.7	R435	R435-R437 PolarHBondContact O-N 2.71Å
438	R	42.3	Very low	40.9	Very low	245 Å²	245	149.6 Å²	149.6	93%	0.925	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-97.3	-3.6	177.8	-82.9	-170.8	175.8	-172.8	-0.9	115.2	L436	L436-R438 PolarHBondContact O-N 3.05Å
439	A	42.7	Very low	40.8	Very low	84 Å²	84	154.4 Å²	154.4	69%	0.694	76%	0.755	S	S	*	*	S	Bend	trans	-100	13.3	-162.7	0	0	0	0	0	116.5
440	S	44.1	Very low	41	Very low	102 Å²	102	159.7 Å²	159.7	71%	0.713	77%	0.771	S	S	*	*	S	Bend	trans	-127.7	3.3	-167.6	-51.4	0	0	0	0	116.4
441	N	42	Very low	40.6	Very low	159 Å²	159	162.3 Å²	162.3	85%	0.85	78%	0.781	S	S	*	*	S	Bend	trans	-115.4	32.7	-171	-69.5	9.5	0	0	0	114.1
442	N	38.2	Very low	40.8	Very low	145 Å²	145	158.7 Å²	158.7	78%	0.775	77%	0.771	S	S	*	*			trans	-151.8	76.5	176.6	-164.3	18.3	0	0	0	114
443	V	44.7	Very low	40.5	Very low	147 Å²	147	155.7 Å²	155.7	89%	0.891	77%	0.77	S	S	*	*			trans	-134.4	146.9	159.1	-179.3	0	0	0	0	106.9
444	Q	42.2	Very low	40.5	Very low	181 Å²	181	154.1 Å²	154.1	85%	0.846	77%	0.774	S	S	*	*			trans	-91.8	170.6	-153.5	-69.8	155.5	-53.9	0	0	115.6
445	S	37	Very low	40.8	Very low	107 Å²	107	150 Å²	150	75%	0.748	77%	0.771	S	S	*	*			trans	-82	-175	-171	-47.5	0	0	0	0	115.1
446	T	41.5	Very low	41	Very low	126 Å²	126	149.5 Å²	149.5	77%	0.773	78%	0.776	S	S	*	*			trans	77.6	137.4	177.9	80.5	0	0	0	0	113
447	Q	40.6	Very low	41.4	Very low	177 Å²	177	149.5 Å²	149.5	83%	0.827	78%	0.783	S	S	*	*			cis	-149.5	171.5	4.7	-102.4	147	77.9	0	0	106.5
448	S	37.1	Very low	41.5	Very low	78 Å²	78	143.6 Å²	143.6	55%	0.545	78%	0.778	S	S	.	*			cis	173.3	110.6	-36.3	53.9	0	0	0	0	107.4
449	Y	34.1	Very low	41.4	Very low	214 Å²	214	136 Å²	136	84%	0.839	77%	0.768	S	S	*	*			trans	62.2	157.4	168.7	-44.1	-65.7	0	0	0	116.9
450	H	43.2	Very low	41.5	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.866	77%	0.773	S	S	*	*			cis	-130.9	-168.7	18.1	-75	-100.8	0	0	0	113.8
451	R	35.3	Very low	41.9	Very low	232 Å²	232	138.2 Å²	138.2	88%	0.875	78%	0.775	S	S	*	*			trans	-139.5	-170.5	-171.2	-143.2	-156.7	152.8	-135.7	-2.5	111.2
452	P	46	Very low	41.9	Very low	84 Å²	84	139.2 Å²	139.2	55%	0.545	78%	0.775	S	S	.	*				-122.8	-165.8	-119	44.7	-26.8	0	0	0	114.8
453	S	37.5	Very low	42.2	Very low	97 Å²	97	142.8 Å²	142.8	68%	0.678	78%	0.779	S	S	*	*				168	158.2	121	-73.2	0	0	0	0	115.4
454	S	39.9	Very low	42	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	77%	0.774	S	S	*	*			trans	64.6	154.5	156.5	22.5	0	0	0	0	119.6
455	S	43.5	Very low	42	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	77%	0.765	S	S	*	*			cis	-165.8	132.3	-7.9	39.9	0	0	0	0	114.2
456	F	47.3	Very low	42.1	Very low	207 Å²	207	137.5 Å²	137.5	91%	0.908	77%	0.768	S	S	*	*			trans	51.6	158.8	147.1	-65.9	-77.1	0	0	0	124.7
457	P	49.5	Very low	42.1	Very low	117 Å²	117	142.4 Å²	142.4	76%	0.76	77%	0.773	S	S	*	*			trans	-128.9	-176	-168.9	45.8	-31.5	0	0	0	116.1
458	S	42.3	Very low	42.2	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	77%	0.766	S	S	*	*			trans	-164.6	160.3	149.3	-158.5	0	0	0	0	114.1
459	A	41.5	Very low	42.4	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	78%	0.776	S	S	*	*			trans	28.7	155.2	151.5	0	0	0	0	0	122.9
460	S	43.6	Very low	42.8	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	77%	0.773	S	S	*	*			cis	-166	165.4	-17	-93.4	0	0	0	0	109
461	P	53.9	Low	42.8	Very low	118 Å²	118	134 Å²	134	77%	0.766	77%	0.768	S	S	*	*			trans	-110.7	159.6	-170.7	39.7	-32.6	0	0	0	115.7
462	E	41.5	Very low	43.3	Very low	181 Å²	181	127 Å²	127	85%	0.846	76%	0.755	S	S	*	*			trans	-167.3	153	151.4	-117.4	175.6	-157.9	0	0	116.1
463	Y	43.3	Very low	43.3	Very low	220 Å²	220	131.8 Å²	131.8	86%	0.863	77%	0.77	S	S	*	*			trans	52	150.6	157.7	-101.6	-102	0	0	0	123.7
464	G	41.2	Very low	43.4	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	77%	0.767	S	S	*	*			trans	159.1	42.7	168.7	0	0	0	0	0	122.7
465	S	42.2	Very low	43.6	Very low	96 Å²	96	133.8 Å²	133.8	67%	0.671	77%	0.77	S	S	*	*			trans	-15.4	125.1	170.5	-59.1	0	0	0	0	123.6
466	N	40.1	Very low	43.7	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	77%	0.766	S	S	*	*				67.9	146.4	122	-70.7	-35	0	0	0	126.8
467	R	41.2	Very low	43.8	Very low	230 Å²	230	130.7 Å²	130.7	87%	0.868	76%	0.757	S	S	*	*			trans	87.5	101.5	145.1	-85.3	-170.3	169.2	-164.1	-2.6	123.6
468	S	41.2	Very low	43.5	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	75%	0.753	S	S	*	*				79.8	145.7	112.6	-60.8	0	0	0	0	124.4
469	S	41.6	Very low	43.6	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	75%	0.746	S	S	*	*			trans	77	149	152.1	-62.6	0	0	0	0	118.6
470	L	43.5	Very low	43.9	Very low	146 Å²	146	132.1 Å²	132.1	76%	0.764	74%	0.741	S	S	*	*			cis	-166.8	172.5	-14.8	-114.1	173.2	0	0	0	110.1
471	T	43.1	Very low	44.1	Very low	125 Å²	125	136.8 Å²	136.8	77%	0.767	74%	0.741	S	S	*	*			trans	64.8	163	162.2	61.2	0	0	0	0	120.3
472	S	45.3	Very low	43.7	Very low	87 Å²	87	142.8 Å²	142.8	61%	0.608	75%	0.748	S	S	*	*			cis	-173.2	161.8	-33.7	-87.4	0	0	0	0	111.2
473	Q	45.5	Very low	43.6	Very low	184 Å²	184	137.1 Å²	137.1	86%	0.86	74%	0.739	S	S	*	*			trans	67.7	154.9	157.6	-70.4	162	52.2	0	0	118.5
474	S	40.1	Very low	43.5	Very low	87 Å²	87	132.9 Å²	132.9	61%	0.608	74%	0.74	S	S	*	*			cis	-170.3	142.2	-22.7	56.7	0	0	0	0	113.4
475	L	43.9	Very low	43.3	Very low	166 Å²	166	140.7 Å²	140.7	87%	0.869	75%	0.746	S	S	*	*			trans	63.1	171.4	149.4	-60.6	165.8	0	0	0	117
476	S	45.3	Very low	43.4	Very low	83 Å²	83	141 Å²	141	58%	0.58	75%	0.748	S	S	*	*			cis	-159.9	147.2	9	101.7	0	0	0	0	113.6
477	H	49.6	Very low	43.5	Very low	155 Å²	155	141.1 Å²	141.1	72%	0.718	75%	0.748	S	S	*	*			trans	61.2	165.5	146.7	-60.9	121.7	0	0	0	120.2
478	N	44.6	Very low	43.4	Very low	127 Å²	127	137.4 Å²	137.4	68%	0.679	75%	0.746	S	S	*	*			cis	-167.6	171.1	-14.9	-105.6	-18.8	0	0	0	108.1
479	N	43.7	Very low	43.6	Very low	124 Å²	124	139.5 Å²	139.5	66%	0.663	76%	0.755	S	S	*	*			cis	-173.2	165.4	-37	-146.9	-46.9	0	0	0	110.2
480	T	46.6	Very low	43.4	Very low	97 Å²	97	140 Å²	140	60%	0.595	75%	0.753	S	S	*	*			trans	63.2	164.2	163.3	57.7	0	0	0	0	118.8
481	R	48.6	Very low	43.4	Very low	213 Å²	213	144.3 Å²	144.3	80%	0.804	76%	0.759	S	S	*	*			cis	-156.1	178.6	-6.7	-104.4	146.6	-165.5	151.7	-2.2	104.8
482	R	44.9	Very low	43.4	Very low	243 Å²	243	146 Å²	146	92%	0.917	76%	0.758	S	S	*	*			cis	-160.8	177.4	1.8	-123.3	175.1	179.7	165.8	-1.5	105
483	G	40.9	Very low	42.9	Very low	63 Å²	63	149.9 Å²	149.9	65%	0.649	76%	0.764	S	S	*	*			cis	162.5	142.8	-9	0	0	0	0	0	112.8
484	C	40.8	Very low	42.9	Very low	130 Å²	130	149.9 Å²	149.9	88%	0.878	77%	0.766	S	S	*	*			trans	67	142.1	167.5	-52.7	0	0	0	0	118.8
485	R	36.2	Very low	42.7	Very low	240 Å²	240	152.7 Å²	152.7	91%	0.906	77%	0.774	S	S	*	*			cis	89.3	145.8	14.5	-73.9	-166.9	167.4	-167.8	-2.5	119.2
486	S	45.6	Very low	42.9	Very low	101 Å²	101	149.8 Å²	149.8	71%	0.706	77%	0.765	S	S	*	*			trans	82.8	147.4	165.4	-57.3	0	0	0	0	117.2
487	N	42	Very low	42.9	Very low	155 Å²	155	151.7 Å²	151.7	83%	0.829	78%	0.776	S	S	*	*			cis	-159.3	172.1	-11.8	-110	-7.6	0	0	0	112.4
488	N	37.5	Very low	42.4	Very low	152 Å²	152	149.5 Å²	149.5	81%	0.813	77%	0.773	S	S	*	*			trans	-70.7	151.8	173.8	-76	-27.8	0	0	0	114.3
489	T	46.1	Very low	42.2	Very low	143 Å²	143	147.5 Å²	147.5	88%	0.877	76%	0.762	S	S	*	*			trans	-161.8	110	133.6	21.2	0	0	0	0	115.1
490	V	38.7	Very low	42	Very low	118 Å²	118	146.7 Å²	146.7	72%	0.715	76%	0.762	S	S	*	*			trans	2.9	126.3	139.9	-176.8	0	0	0	0	119.5
491	R	41.7	Very low	42.3	Very low	237 Å²	237	151 Å²	151	89%	0.894	77%	0.767	S	S	*	*				-166.1	111.1	128.7	-109.2	166.6	-170.4	-135.4	-0.5	115.7
492	H	43	Very low	42.7	Very low	162 Å²	162	145.6 Å²	145.6	75%	0.75	76%	0.762	S	S	*	*			trans	27.8	122.8	146.9	-63.7	-74.5	0	0	0	124.3
493	K	35.6	Very low	43.5	Very low	168 Å²	168	136.2 Å²	136.2	73%	0.73	73%	0.733	S	S	*	*				75.6	96.8	117.3	-166.2	-178.1	-176.5	-179.1	0	119.7
494	M	44.8	Very low	44.3	Very low	183 Å²	183	137 Å²	137	90%	0.901	73%	0.726	S	S	*	*			trans	-150	132.3	134.8	-71.6	-55.8	166.4	0	0	108.3
495	D	35.7	Very low	44.7	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	72%	0.717	S	S	*	*			trans	-112.5	121.9	-177.3	-66.3	-78.3	0	0	0	111.7
496	P	49.2	Very low	45.2	Very low	105 Å²	105	127.5 Å²	127.5	68%	0.682	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-91.3	162.4	164.2	35.3	-30.6	0	0	0	111.3
497	P	44.7	Very low	44.8	Very low	124 Å²	124	128.4 Å²	128.4	81%	0.805	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-68	148.3	-153.6	24.5	-35.4	0	0	0	116	N499	P497-N499 PolarHBondContact O-N 3.31Å
498	V	39.1	Very low	44.7	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.655	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-68.1	121.3	173.3	176.5	0	0	0	0	109.7	T500	V498-T500 HydrophobicContact CG1-CG2 3.73Å; V498-T500 PolarHBondContact O-N 3.37Å
499	N	40.6	Very low	44.6	Very low	86 Å²	86	130.9 Å²	130.9	46%	0.46	70%	0.701	S	S	.	*			trans	-84	56.1	-177	-155.4	8.6	0	0	0	111.9	P497 R501 D561	P497-N499 PolarHBondContact O-N 3.31Å; N499-R501 VanDerWaalsContact C-N 3.34Å; N499-R501 PolarHBondContact O-N 2.88Å; N499-R501 VanDerWaalsContact O-N 3.16Å; N499-D561 PolarHBondContact ND2-OD1 3.15Å; N499-D561 PolarHBondContact ND2-OD2 2.83Å
500	T	40.3	Very low	44.3	Very low	107 Å²	107	135.6 Å²	135.6	66%	0.656	70%	0.704	S	S	*	*			trans	-83.8	77.3	173.8	37.8	0	0	0	0	110.7	V498	V498-T500 HydrophobicContact CG1-CG2 3.73Å; V498-T500 PolarHBondContact O-N 3.37Å
501	R	52.6	Low	44.1	Very low	187 Å²	187	132.9 Å²	132.9	71%	0.706	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-80.6	140.9	143.2	-72.9	-173.4	167.8	-155.8	-7	107.8	N499 W569	N499-R501 VanDerWaalsContact C-N 3.34Å; N499-R501 PolarHBondContact O-N 2.88Å; N499-R501 VanDerWaalsContact O-N 3.16Å; R501-W569 HydrophobicContact CB-CH2 3.7Å; R501-W569 HydrophobicContact CB-CZ2 4Å; R501-W569 WeakPolarHBondContact O-CH2 3.42Å
502	S	57	Low	44.1	Very low	99 Å²	99	127.2 Å²	127.2	69%	0.692	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-93.4	158.6	159.2	-59.7	0	0	0	0	108.8	W569	S502-W569 WeakPolarHBondContact O-CH2 3.4Å; S502-W569 WeakPolarHBondContact O-CZ2 3.47Å
503	P	60.6	Low	44	Very low	47 Å²	47	127.8 Å²	127.8	31%	0.305	70%	0.699	S	S	.	*	P	Polyproline II helix	trans	-55	143.6	164.1	-22.5	33.9	0	0	0	110.2	G505 M557 W569	P503-G505 PolarHBondContact O-N 3.19Å; P503-M557 HydrophobicContact CG-SD 4.26Å; P503-W569 HydrophobicContact CG-CE3 4.2Å; P503-W569 HydrophobicContact CG-CH2 4.46Å; P503-W569 HydrophobicContact CG-CZ3 4.14Å
504	P	59.3	Low	44.3	Very low	78 Å²	78	123 Å²	123	51%	0.506	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-67.5	119	174.5	28.2	-32.8	0	0	0	109.6
505	G	47.9	Very low	44.3	Very low	66 Å²	66	121.3 Å²	121.3	68%	0.68	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-72.7	148.1	173.4	0	0	0	0	0	112	P503 P507	P503-G505 PolarHBondContact O-N 3.19Å; G505-P507 WeakPolarHBondContact O-CD 3.12Å
506	N	47.9	Very low	44.8	Very low	106 Å²	106	121.1 Å²	121.1	57%	0.567	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-58.5	122.2	-177.1	-88.7	13.2	0	0	0	112.6	F508	N506-F508 HydrophobicContact CB-CD2 4.3Å; N506-F508 PolarHBondContact O-N 3.21Å
507	P	36.4	Very low	44.9	Very low	120 Å²	120	123.1 Å²	123.1	78%	0.779	69%	0.686	S	S	*	*			trans	-97.8	78	179.1	37.1	-31.7	0	0	0	111.7	G505	G505-P507 WeakPolarHBondContact O-CD 3.12Å
508	F	39.9	Very low	44.8	Very low	162 Å²	162	124.1 Å²	124.1	71%	0.711	69%	0.685	S	S	*	*			trans	-98.7	118.6	170.4	-79.4	-74.1	0	0	0	111.3	N506	N506-F508 HydrophobicContact CB-CD2 4.3Å; N506-F508 PolarHBondContact O-N 3.21Å
509	K	36.3	Very low	44.9	Very low	197 Å²	197	122.5 Å²	122.5	86%	0.857	68%	0.683	S	S	*	*			trans	-155	82.9	-175.1	-167	-174.3	-177.7	-173.8	0	112.6
510	Y	39.8	Very low	45.1	Very low	242 Å²	242	127.4 Å²	127.4	95%	0.949	70%	0.701	S	S	*	*			trans	-154.5	145.3	163.4	-103.6	-84.4	0	0	0	108.1
511	G	33.6	Very low	45.3	Very low	60 Å²	60	132.8 Å²	132.8	62%	0.619	71%	0.709	S	S	*	*			cis	154.4	40	-8.3	0	0	0	0	0	116.8
512	S	41.7	Very low	44.7	Very low	119 Å²	119	132.7 Å²	132.7	83%	0.832	72%	0.716	S	S	*	*			trans	-178.5	158.3	173.9	-85.9	0	0	0	0	109.7
513	H	41.7	Very low	44	Very low	173 Å²	173	137.2 Å²	137.2	80%	0.801	72%	0.723	S	S	*	*			cis	-164.8	163.3	-22.2	-172.1	-83.6	0	0	0	107.2
514	A	40.7	Very low	43.1	Very low	68 Å²	68	140.5 Å²	140.5	56%	0.562	74%	0.742	S	S	*	*			trans	65.7	92	170	0	0	0	0	0	118.9
515	D	46	Very low	42.5	Very low	147 Å²	147	144.6 Å²	144.6	79%	0.786	76%	0.758	S	S	*	*				58.4	127.1	110.1	-46.1	-32.1	0	0	0	123.3
516	D	46.7	Very low	42.1	Very low	142 Å²	142	145.4 Å²	145.4	76%	0.759	75%	0.753	S	S	*	*			trans	100	149.2	131.9	-113.8	-12.3	0	0	0	124
517	M	50.6	Low	41.7	Very low	147 Å²	147	148.2 Å²	148.2	72%	0.724	76%	0.763	S	S	*	*			trans	66.2	59	168.8	-60.7	-59.9	111.7	0	0	120.4
518	N	42.5	Very low	41.9	Very low	145 Å²	145	149.6 Å²	149.6	78%	0.775	76%	0.764	S	S	*	*				44.8	114.4	108.6	-167.4	32.7	0	0	0	121
519	A	41.7	Very low	41.8	Very low	75 Å²	75	147.5 Å²	147.5	62%	0.62	77%	0.769	S	S	*	*			trans	53.5	126.2	145.4	0	0	0	0	0	122.5
520	F	44.7	Very low	41.9	Very low	188 Å²	188	143.4 Å²	143.4	83%	0.825	76%	0.763	S	S	*	*				-152.9	109.5	122.8	-115.7	-74.1	0	0	0	114.9
521	R	42.7	Very low	41.6	Very low	220 Å²	220	136.7 Å²	136.7	83%	0.83	75%	0.751	S	S	*	*			trans	49.8	128.5	152.2	-73	-178.1	172.3	179.1	-3.1	123.5
522	H	40.7	Very low	42	Very low	186 Å²	186	142.6 Å²	142.6	86%	0.861	76%	0.763	S	S	*	*			trans	-67.2	147.6	156.2	-55.9	-105.7	0	0	0	114.3
523	K	42.2	Very low	41.7	Very low	194 Å²	194	141.5 Å²	141.5	84%	0.843	76%	0.755	S	S	*	*				-165.3	120	128.3	-103.7	-157.8	167.8	-173.5	0	108.1
524	V	41.6	Very low	41.9	Very low	116 Å²	116	141.6 Å²	141.6	70%	0.703	76%	0.759	S	S	*	*				95.9	139.7	64.9	159.3	0	0	0	0	111.9
525	I	46.4	Very low	42.1	Very low	164 Å²	164	142.1 Å²	142.1	84%	0.841	76%	0.759	S	S	*	*			trans	74.9	147.8	-174.4	-40.4	-175.1	0	0	0	114.6
526	S	41	Very low	42	Very low	82 Å²	82	144.9 Å²	144.9	57%	0.573	77%	0.767	S	S	*	*				-165.2	147.2	-53.8	-149.5	0	0	0	0	109.4
527	E	38.8	Very low	41.9	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	76%	0.756	S	S	*	*			trans	59.7	149.9	153.3	-77	153.4	-122.2	0	0	123.4
528	N	40	Very low	41.6	Very low	150 Å²	150	139.9 Å²	139.9	80%	0.802	76%	0.762	S	S	*	*			trans	67.4	97.1	160.3	-63.8	-17.4	0	0	0	120.8
529	S	39.2	Very low	42	Very low	117 Å²	117	138.1 Å²	138.1	82%	0.818	76%	0.756	S	S	*	*			trans	-55.4	160	150.8	-39.3	0	0	0	0	112.2
530	P	37	Very low	42.5	Very low	112 Å²	112	137.2 Å²	137.2	73%	0.727	75%	0.745	S	S	*	*				-140.4	158.1	101	38.4	-27.8	0	0	0	115
531	S	34.6	Very low	43.3	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	75%	0.746	S	S	*	*			trans	48.6	117.5	161.5	61.9	0	0	0	0	119
532	H	40.8	Very low	44.3	Very low	184 Å²	184	129.1 Å²	129.1	85%	0.852	73%	0.734	S	S	*	*				-147	146.2	129.4	-112.2	-76.4	0	0	0	112.1	I534	H532-I534 PolarHBondContact O-N 3.3Å
533	S	36.2	Very low	46.1	Very low	95 Å²	95	124.2 Å²	124.2	66%	0.664	71%	0.712	S	S	*	*			trans	-56.4	124	174.9	47.2	0	0	0	0	112.7	S535	S533-S535 PolarHBondContact O-N 3.48Å
534	I	46.4	Very low	48.1	Very low	175 Å²	175	121.5 Å²	121.5	90%	0.897	70%	0.696	S	S	*	*			trans	-78.6	101.9	157.9	-61.2	-179.9	0	0	0	106.7	H532	H532-I534 PolarHBondContact O-N 3.3Å
535	S	44.4	Very low	50.5	Low	80 Å²	80	120.4 Å²	120.4	56%	0.559	69%	0.686	S	S	*	*			trans	-67.8	148.6	175.6	46.3	0	0	0	0	111.8	S533 A537	S533-S535 PolarHBondContact O-N 3.48Å; S535-A537 PolarHBondContact O-N 3.13Å
536	E	43.7	Very low	52.6	Low	204 Å²	204	113.2 Å²	113.2	95%	0.953	65%	0.648	S	S	*	*	S	Bend	trans	-69.8	81.7	165	-63.2	179.8	133.5	0	0	109.4
537	A	44	Very low	55.2	Low	64 Å²	64	109.5 Å²	109.5	53%	0.529	62%	0.622	S	S	.	*			trans	-144.2	139.6	-178.8	0	0	0	0	0	110.6	S535	S535-A537 PolarHBondContact O-N 3.13Å
538	S	45.4	Very low	57.7	Low	121 Å²	121	105 Å²	105	85%	0.846	60%	0.602	S	S	*	*			trans	44.6	71.3	175.4	60.5	0	0	0	0	115.9	S540	S538-S540 PolarHBondContact O-N 3.45Å
539	V	49.3	Very low	60.3	Low	107 Å²	107	100 Å²	100	65%	0.648	58%	0.579	S	S	*	*			trans	-67	117.9	149.9	175.7	0	0	0	0	106.6	E543	V539-E543 HydrophobicContact CG1-CB 4.49Å
540	S	52.9	Low	62.8	Low	56 Å²	56	101.4 Å²	101.4	39%	0.392	57%	0.573	S	S	.	*			trans	-68.4	143.6	174.8	44	0	0	0	0	110.6	S538 D542 E543	S538-S540 PolarHBondContact O-N 3.45Å; S540-D542 PolarHBondContact O-N 3.14Å; S540-E543 PolarHBondContact O-N 2.95Å
541	P	62.3	Low	65.3	Low	131 Å²	131	101.5 Å²	101.5	85%	0.851	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-14.7	-176.2	25.9	-35.1	0	0	0	114.4
542	D	63.6	Low	68	Low	107 Å²	107	98.7 Å²	98.7	57%	0.572	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.1	-178.6	-53.2	-62.1	0	0	0	114.9	S540 R544	S540-D542 PolarHBondContact O-N 3.14Å; D542-R544 PolarHBondContact O-N 3.38Å
543	E	77.4	Confident	70.4	Confident	84 Å²	84	93 Å²	93	39%	0.393	52%	0.521	S	S	.	.			trans	-84.8	109.8	179.9	-64.7	-161.3	121.5	0	0	112.6	V539 S540 L545 V552	V539-E543 HydrophobicContact CG1-CB 4.49Å; S540-E543 PolarHBondContact O-N 2.95Å; E543-L545 PolarHBondContact O-N 3.06Å; E543-V552 HydrophobicContact CB-CG1 3.71Å; E543-V552 HydrophobicContact CG-CG1 4.46Å
544	R	85.1	Confident	73	Confident	136 Å²	136	92.7 Å²	92.7	51%	0.513	51%	0.508	S	S	.	.			trans	-64.2	119.4	179.6	-175.9	166.8	172.9	-177.7	-5.5	111.7	D542 Y546 E568	D542-R544 PolarHBondContact O-N 3.38Å; R544-Y546 HydrophobicContact CB-CE2 4.24Å; R544-Y546 HydrophobicContact CG-CE1 4.13Å; R544-Y546 HydrophobicContact CG-CE2 4.14Å; R544-Y546 VanDerWaalsContact O-CD2 3.24Å; R544-Y546 WeakPolarHBondContact O-CD2 3.14Å; R544-Y546 VanDerWaalsContact O-CE2 3.31Å; R544-Y546 WeakPolarHBondContact O-CE2 3.34Å; R544-E568 IonicContact NH2-OE2 2.69Å
545	L	90.9	Very high	75.1	Confident	94 Å²	94	87.9 Å²	87.9	49%	0.492	50%	0.502	S	S	.	.			trans	-79.3	145.1	177.1	-55	-179.5	0	0	0	111.7	E543 V552	E543-L545 PolarHBondContact O-N 3.06Å; L545-V552 HydrophobicContact CD2-CG1 4.09Å
546	Y	92.6	Very high	77.4	Confident	12 Å²	12	89.6 Å²	89.6	5%	0.047	50%	0.504	C	S	.	.	B	Isolated β-bridge	trans	-136.7	171.5	-178.6	-62.8	-74.5	0	0	0	111.5	R544 Q550 K551 M557 W569	R544-Y546 HydrophobicContact CB-CE2 4.24Å; R544-Y546 HydrophobicContact CG-CE1 4.13Å; R544-Y546 HydrophobicContact CG-CE2 4.14Å; R544-Y546 VanDerWaalsContact O-CD2 3.24Å; R544-Y546 WeakPolarHBondContact O-CD2 3.14Å; R544-Y546 VanDerWaalsContact O-CE2 3.31Å; R544-Y546 WeakPolarHBondContact O-CE2 3.34Å; Y546-Q550 WeakPolarHBondContact O-CA 3.41Å; Y546-Q550 PolarHBondContact O-N 3Å; Y546-K551 CarbonylContact C-O 3.57Å; Y546-K551 PolarHBondContact N-O 3.16Å; Y546-K551 PolarHBondContact O-N 3.43Å; Y546-M557 HydrophobicContact CG-CE 4.31Å; Y546-W569 HydrophobicContact CD1-CB 3.75Å; Y546-W569 AromaticContact CD1-CD1 3.88Å; Y546-W569 HydrophobicContact CD1-CG 4.09Å; Y546-W569 HydrophobicContact CE1-CB 4.37Å; Y546-W569 AromaticContact CE1-CD1 3.69Å; Y546-W569 HydrophobicContact CE1-CG 4.23Å; Y546-W569 HydrophobicContact CG-CB 4.18Å
547	C	94.7	Very high	79.8	Confident	4 Å²	4	81.3 Å²	81.3	3%	0.027	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	170	179.1	-160.1	0	0	0	0	115.6	C549 Q550 V567 W569 F570 H571 C574	C547-C549 PolarHBondContact O-N 3.16Å; C547-C549 VanDerWaalsContact O-N 3.15Å; C547-Q550 PolarHBondContact O-N 2.67Å; C547-Q550 VanDerWaalsContact O-N 3.08Å; C547-V567 VanDerWaalsContact CA-CG1 3.47Å; C547-W569 WeakPolarHBondContact CA-O 3.46Å; C547-W569 PolarHBondContact N-O 3.13Å; C547-F570 VanDerWaalsContact SG-CA 3.51Å; C547-H571 WeakPolarHBondContact CB-ND1 3.49Å; C547-H571 PolarHBondContact SG-N 3.49Å; C547-H571 VanDerWaalsContact SG-N 3.37Å; C547-C574 WeakPolarHBondContact SG-CB 3.42Å
548	I	91.2	Very high	82.2	Confident	70 Å²	70	79 Å²	79	36%	0.359	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.7	174.8	69.7	178.7	0	0	0	113.3	F570 C574 Y589	I548-F570 HydrophobicContact CG2-CD1 3.94Å; I548-F570 HydrophobicContact CG2-CE1 3.64Å; I548-C574 WeakPolarHBondContact CD1-O 3.36Å; I548-C574 HydrophobicContact CG1-CB 4.36Å; I548-Y589 HydrophobicContact CG2-CD2 4.44Å; I548-Y589 HydrophobicContact CG2-CE2 3.56Å
549	C	94.5	Very high	84.5	Confident	46 Å²	46	74.5 Å²	74.5	31%	0.311	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.7	177.2	66.3	0	0	0	0	113.7	C547 H571	C547-C549 PolarHBondContact O-N 3.16Å; C547-C549 VanDerWaalsContact O-N 3.15Å; C549-H571 PolarHBondContact SG-CE1 3.48Å; C549-H571 PolarHBondContact SG-ND1 3.25Å
550	Q	91.4	Very high	86.7	Confident	147 Å²	147	70.2 Å²	70.2	69%	0.687	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	54.9	-179.4	-57.4	-178.4	6.5	0	0	112.6	Y546 C547	Y546-Q550 WeakPolarHBondContact O-CA 3.41Å; Y546-Q550 PolarHBondContact O-N 3Å; C547-Q550 PolarHBondContact O-N 2.67Å; C547-Q550 VanDerWaalsContact O-N 3.08Å
551	K	90.9	Very high	88.6	Confident	113 Å²	113	69.6 Å²	69.6	49%	0.491	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-127.5	157	178.5	-65	-165.2	176	-160.9	0	111.2	Y546 F554	Y546-K551 CarbonylContact C-O 3.57Å; Y546-K551 PolarHBondContact N-O 3.16Å; Y546-K551 PolarHBondContact O-N 3.43Å; K551-F554 HydrophobicContact CB-CD1 4.45Å; K551-F554 HydrophobicContact CB-CE1 3.85Å; K551-F554 HydrophobicContact CD-CE1 4.12Å
552	V	90.8	Very high	89.9	Confident	43 Å²	43	65.4 Å²	65.4	26%	0.261	35%	0.352	S	S	.	.			trans	-54.8	164.9	174.8	-57.6	0	0	0	0	112.7	E543 L545 F554 H571	E543-V552 HydrophobicContact CB-CG1 3.71Å; E543-V552 HydrophobicContact CG-CG1 4.46Å; L545-V552 HydrophobicContact CD2-CG1 4.09Å; V552-F554 VanDerWaalsContact O-CD1 3.24Å; V552-F554 WeakPolarHBondContact O-CD1 3.4Å; V552-F554 PolarHBondContact O-N 3.32Å; V552-H571 PolarHBondContact O-NE2 3.45Å
553	S	90.3	Very high	91.1	Very high	63 Å²	63	69.7 Å²	69.7	44%	0.441	37%	0.365	S	S	.	.			trans	-67.8	112.1	177.4	39.4	0	0	0	0	112	M557	S553-M557 WeakPolarHBondContact CA-SD 3.38Å; S553-M557 WeakPolarHBondContact CB-SD 3.48Å
554	F	90.3	Very high	91.6	Very high	89 Å²	89	72.2 Å²	72.2	39%	0.39	38%	0.376	S	S	.	.			trans	-137.2	142.2	176.7	67.3	-101.9	0	0	0	112.2	K551 V552 H571	K551-F554 HydrophobicContact CB-CD1 4.45Å; K551-F554 HydrophobicContact CB-CE1 3.85Å; K551-F554 HydrophobicContact CD-CE1 4.12Å; V552-F554 VanDerWaalsContact O-CD1 3.24Å; V552-F554 WeakPolarHBondContact O-CD1 3.4Å; V552-F554 PolarHBondContact O-N 3.32Å; F554-H571 AromaticContact CD1-CD2 3.74Å; F554-H571 AromaticContact CD1-NE2 3.4Å; F554-H571 WeakPolarHBondContact CD1-NE2 3.5Å; F554-H571 AromaticContact CD2-CD2 3.99Å; F554-H571 AromaticContact CE1-CD2 3.65Å; F554-H571 AromaticContact CE1-CE1 3.6Å; F554-H571 AromaticContact CE1-NE2 3.32Å; F554-H571 VanDerWaalsContact CE1-NE2 3.32Å; F554-H571 WeakPolarHBondContact CE1-NE2 3.48Å; F554-H571 HydrophobicContact CE2-CB 4.4Å; F554-H571 AromaticContact CE2-CD2 3.9Å; F554-H571 AromaticContact CG-CD2 3.89Å; F554-H571 AromaticContact CG-NE2 3.99Å; F554-H571 HydrophobicContact CZ-CB 4.4Å; F554-H571 AromaticContact CZ-CD2 3.72Å; F554-H571 AromaticContact CZ-CG 3.81Å; F554-H571 AromaticContact CZ-NE2 3.86Å; F554-H571 PolarHBondContact O-CD2 3.33Å
555	G	90.5	Very high	91.9	Very high	75 Å²	75	66.3 Å²	66.3	77%	0.773	36%	0.355	S	S	*	.	S	Bend	trans	58.8	-153.4	179.4	0	0	0	0	0	113.9	M557	G555-M557 PolarHBondContact O-N 3.42Å
556	D	93.2	Very high	91.8	Very high	115 Å²	115	71.1 Å²	71.1	62%	0.615	38%	0.375	S	S	*	.	S	Bend	trans	-70.6	127.6	179	-66	-45.2	0	0	0	111.6	F572	D556-F572 HydrophobicContact CB-CB 3.93Å; D556-F572 HydrophobicContact CB-CD1 3.65Å; D556-F572 HydrophobicContact CB-CD2 3.6Å; D556-F572 HydrophobicContact CB-CE1 3.93Å; D556-F572 HydrophobicContact CB-CE2 3.9Å; D556-F572 HydrophobicContact CB-CG 3.47Å; D556-F572 VanDerWaalsContact CB-CG 3.47Å; D556-F572 HydrophobicContact CB-CZ 4.05Å; D556-F572 WeakPolarHBondContact O-CB 3.36Å; D556-F572 WeakPolarHBondContact O-CD1 3.49Å; D556-F572 PolarHBondContact O-N 2.87Å
557	M	94.1	Very high	91.7	Very high	30 Å²	30	72.3 Å²	72.3	15%	0.148	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.6	178	-61.7	-168.5	82.3	0	0	112.3	P503 Y546 S553 G555 W569 F570	P503-M557 HydrophobicContact CG-SD 4.26Å; Y546-M557 HydrophobicContact CG-CE 4.31Å; S553-M557 WeakPolarHBondContact CA-SD 3.38Å; S553-M557 WeakPolarHBondContact CB-SD 3.48Å; G555-M557 PolarHBondContact O-N 3.42Å; M557-W569 HydrophobicContact CB-CE3 4.23Å; M557-W569 HydrophobicContact CE-CB 3.87Å; M557-F570 CarbonylContact C-O 3.57Å; M557-F570 VanDerWaalsContact CA-O 3.28Å; M557-F570 WeakPolarHBondContact CA-O 3.4Å
558	I	94.4	Very high	91.6	Very high	17 Å²	17	76.1 Å²	76.1	9%	0.087	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.5	177.6	-172.3	159.8	0	0	0	111.4	W569 F570 F572 V575 P581 W585	I558-W569 WeakPolarHBondContact O-CA 3.28Å; I558-F570 HydrophobicContact CG2-CB 4.12Å; I558-F570 PolarHBondContact N-O 2.92Å; I558-F570 PolarHBondContact O-N 3.5Å; I558-F572 HydrophobicContact CB-CD1 4.26Å; I558-F572 HydrophobicContact CB-CE1 3.9Å; I558-F572 HydrophobicContact CG2-CD1 4.36Å; I558-F572 HydrophobicContact CG2-CE1 4.46Å; I558-V575 HydrophobicContact CG2-CG2 4.13Å; I558-P581 VanDerWaalsContact CD1-CD 3.44Å; I558-P581 HydrophobicContact CD1-CG 3.33Å; I558-W585 HydrophobicContact CD1-CB 3.74Å; I558-W585 HydrophobicContact CD1-CD2 3.54Å; I558-W585 HydrophobicContact CD1-CE3 4.01Å; I558-W585 HydrophobicContact CD1-CG 3.42Å; I558-W585 VanDerWaalsContact CD1-CG 3.42Å; I558-W585 HydrophobicContact CG1-CB 4.42Å; I558-W585 HydrophobicContact CG1-CD2 3.88Å; I558-W585 HydrophobicContact CG1-CE3 3.79Å; I558-W585 HydrophobicContact CG1-CG 4.18Å; I558-W585 HydrophobicContact CG1-CZ3 4.3Å; I558-W585 HydrophobicContact CG2-CD2 4.27Å; I558-W585 HydrophobicContact CG2-CE3 4.12Å; I558-W585 HydrophobicContact CG2-CH2 3.71Å; I558-W585 HydrophobicContact CG2-CZ2 3.87Å; I558-W585 HydrophobicContact CG2-CZ3 3.84Å
559	A	93.9	Very high	91.8	Very high	26 Å²	26	73.5 Å²	73.5	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	144.6	172.7	0	0	0	0	0	111.3	E568 W569	A559-E568 CarbonylContact C-O 3.57Å; A559-E568 WeakPolarHBondContact CA-O 3.44Å; A559-W569 HydrophobicContact CB-CD2 4.21Å; A559-W569 HydrophobicContact CB-CE3 4.04Å; A559-W569 HydrophobicContact CB-CH2 4.02Å; A559-W569 HydrophobicContact CB-CZ2 4.19Å; A559-W569 HydrophobicContact CB-CZ3 3.95Å
560	C	95.1	Very high	91.8	Very high	16 Å²	16	71.3 Å²	71.3	11%	0.108	37%	0.372	C	S	.	.			trans	-83.9	124.4	173.2	-174.7	0	0	0	0	111.2	N562 C565 E568 F570 W585 C587	C560-N562 PolarHBondContact O-N 2.82Å; C560-N562 VanDerWaalsContact O-N 3.11Å; C560-C565 HydrophobicContact CB-CB 3.97Å; C560-C565 VanDerWaalsContact SG-SG 3.69Å; C560-E568 PolarHBondContact N-O 2.74Å; C560-F570 HydrophobicContact CB-CE2 3.93Å; C560-W585 HydrophobicContact CB-CE3 4.42Å; C560-W585 HydrophobicContact CB-CZ3 4.09Å; C560-C587 HydrophobicContact CB-CB 4.21Å; C560-C587 PolarHBondContact SG-N 2.92Å
561	D	93.3	Very high	92	Very high	43 Å²	43	64.4 Å²	64.4	23%	0.23	34%	0.339	C	S	.	.	S	Bend	trans	-72.8	4.4	178.6	-76	-62.9	0	0	0	114.7	N499 K584 W585 Y586	N499-D561 PolarHBondContact ND2-OD1 3.15Å; N499-D561 PolarHBondContact ND2-OD2 2.83Å; D561-K584 HydrophobicContact CB-CB 4.23Å; D561-K584 HydrophobicContact CB-CD 4.25Å; D561-K584 HydrophobicContact CB-CG 4.34Å; D561-K584 WeakPolarHBondContact OD2-CA 3.4Å; D561-W585 WeakPolarHBondContact CB-O 3.24Å; D561-W585 PolarHBondContact N-O 3.18Å; D561-W585 PolarHBondContact OD2-N 2.86Å; D561-Y586 HydrophobicContact CB-CD1 4.4Å; D561-Y586 HydrophobicContact CB-CE1 4.08Å
562	N	90.4	Very high	92.2	Very high	43 Å²	43	60.3 Å²	60.3	23%	0.23	32%	0.321	C	S	.	.			trans	-85.9	117.9	167.3	176.3	28.2	0	0	0	109.7	C560 F564 C565 Y586 C590	C560-N562 PolarHBondContact O-N 2.82Å; C560-N562 VanDerWaalsContact O-N 3.11Å; N562-F564 VanDerWaalsContact ND2-C 3.34Å; N562-F564 PolarHBondContact ND2-O 3.1Å; N562-F564 PolarHBondContact O-N 3.31Å; N562-F564 VanDerWaalsContact O-N 3.13Å; N562-F564 PolarHBondContact OD1-N 3.13Å; N562-F564 VanDerWaalsContact OD1-N 3.1Å; N562-C565 HydrophobicContact CB-CB 4.3Å; N562-C565 VanDerWaalsContact O-CB 3.24Å; N562-C565 WeakPolarHBondContact O-CB 3.48Å; N562-C565 PolarHBondContact O-N 3.4Å; N562-Y586 HydrophobicContact CB-CD1 3.96Å; N562-Y586 HydrophobicContact CB-CE1 4.22Å; N562-C590 HydrophobicContact CB-CB 4.04Å; N562-C590 PolarHBondContact ND2-SG 3.23Å
563	K	88.7	Confident	92.3	Very high	197 Å²	197	62.5 Å²	62.5	86%	0.857	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.4	175.8	-62.3	-179.6	-179.9	178	0	113.6
564	F	87.6	Confident	92.4	Very high	138 Å²	138	61.4 Å²	61.4	61%	0.605	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	39.9	179.8	-49.4	-79.2	0	0	0	111.6	N562	N562-F564 VanDerWaalsContact ND2-C 3.34Å; N562-F564 PolarHBondContact ND2-O 3.1Å; N562-F564 PolarHBondContact O-N 3.31Å; N562-F564 VanDerWaalsContact O-N 3.13Å; N562-F564 PolarHBondContact OD1-N 3.13Å; N562-F564 VanDerWaalsContact OD1-N 3.1Å
565	C	90.7	Very high	92.6	Very high	11 Å²	11	58.2 Å²	58.2	7%	0.074	32%	0.318	C	S	.	.			trans	-105.1	101	177.7	-170.4	0	0	0	0	110.5	C560 N562 V567 E568 C590	C560-C565 HydrophobicContact CB-CB 3.97Å; C560-C565 VanDerWaalsContact SG-SG 3.69Å; N562-C565 HydrophobicContact CB-CB 4.3Å; N562-C565 VanDerWaalsContact O-CB 3.24Å; N562-C565 WeakPolarHBondContact O-CB 3.48Å; N562-C565 PolarHBondContact O-N 3.4Å; C565-V567 PolarHBondContact O-N 3.38Å; C565-E568 WeakPolarHBondContact O-CG 3.4Å; C565-E568 PolarHBondContact O-N 3.09Å; C565-C590 VanDerWaalsContact SG-SG 3.62Å
566	E	90.1	Very high	92.6	Very high	195 Å²	195	61 Å²	61	91%	0.911	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-37.5	-176.7	-62.6	164.8	-177.4	0	0	114.5
567	V	89.9	Confident	92.5	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.23	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-25.3	-175	177.4	0	0	0	0	112.7	C547 C565 W569 F570	C547-V567 VanDerWaalsContact CA-CG1 3.47Å; C565-V567 PolarHBondContact O-N 3.38Å; V567-W569 PolarHBondContact O-N 2.97Å; V567-F570 HydrophobicContact CB-CE1 4.17Å; V567-F570 HydrophobicContact CB-CE2 4.35Å; V567-F570 HydrophobicContact CB-CZ 3.69Å; V567-F570 HydrophobicContact CG1-CD1 4.37Å; V567-F570 HydrophobicContact CG1-CE1 3.76Å; V567-F570 HydrophobicContact CG1-CE2 4.21Å; V567-F570 HydrophobicContact CG1-CZ 3.66Å
568	E	92.5	Very high	92.2	Very high	84 Å²	84	65.4 Å²	65.4	39%	0.393	32%	0.324	S	S	.	.			trans	53.2	-56.5	-172	-61.2	-172.8	138.6	0	0	116.8	R544 A559 C560 C565 F570	R544-E568 IonicContact NH2-OE2 2.69Å; A559-E568 CarbonylContact C-O 3.57Å; A559-E568 WeakPolarHBondContact CA-O 3.44Å; C560-E568 PolarHBondContact N-O 2.74Å; C565-E568 WeakPolarHBondContact O-CG 3.4Å; C565-E568 PolarHBondContact O-N 3.09Å; E568-F570 WeakPolarHBondContact O-CE2 3.21Å
569	W	94.7	Very high	92	Very high	15 Å²	15	70.1 Å²	70.1	6%	0.057	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.5	-166.2	-67.5	91.4	0	0	0	113.3	R501 S502 P503 Y546 C547 M557 I558 A559 V567	R501-W569 HydrophobicContact CB-CH2 3.7Å; R501-W569 HydrophobicContact CB-CZ2 4Å; R501-W569 WeakPolarHBondContact O-CH2 3.42Å; S502-W569 WeakPolarHBondContact O-CH2 3.4Å; S502-W569 WeakPolarHBondContact O-CZ2 3.47Å; P503-W569 HydrophobicContact CG-CE3 4.2Å; P503-W569 HydrophobicContact CG-CH2 4.46Å; P503-W569 HydrophobicContact CG-CZ3 4.14Å; Y546-W569 HydrophobicContact CD1-CB 3.75Å; Y546-W569 AromaticContact CD1-CD1 3.88Å; Y546-W569 HydrophobicContact CD1-CG 4.09Å; Y546-W569 HydrophobicContact CE1-CB 4.37Å; Y546-W569 AromaticContact CE1-CD1 3.69Å; Y546-W569 HydrophobicContact CE1-CG 4.23Å; Y546-W569 HydrophobicContact CG-CB 4.18Å; C547-W569 WeakPolarHBondContact CA-O 3.46Å; C547-W569 PolarHBondContact N-O 3.13Å; M557-W569 HydrophobicContact CB-CE3 4.23Å; M557-W569 HydrophobicContact CE-CB 3.87Å; I558-W569 WeakPolarHBondContact O-CA 3.28Å; A559-W569 HydrophobicContact CB-CD2 4.21Å; A559-W569 HydrophobicContact CB-CE3 4.04Å; A559-W569 HydrophobicContact CB-CH2 4.02Å; A559-W569 HydrophobicContact CB-CZ2 4.19Å; A559-W569 HydrophobicContact CB-CZ3 3.95Å; V567-W569 PolarHBondContact O-N 2.97Å
570	F	95.7	Very high	91.8	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.7	-174.7	-58.5	-99.1	0	0	0	111.8	C547 I548 M557 I558 C560 V567 E568 V575 W585 C587	C547-F570 VanDerWaalsContact SG-CA 3.51Å; I548-F570 HydrophobicContact CG2-CD1 3.94Å; I548-F570 HydrophobicContact CG2-CE1 3.64Å; M557-F570 CarbonylContact C-O 3.57Å; M557-F570 VanDerWaalsContact CA-O 3.28Å; M557-F570 WeakPolarHBondContact CA-O 3.4Å; I558-F570 HydrophobicContact CG2-CB 4.12Å; I558-F570 PolarHBondContact N-O 2.92Å; I558-F570 PolarHBondContact O-N 3.5Å; C560-F570 HydrophobicContact CB-CE2 3.93Å; V567-F570 HydrophobicContact CB-CE1 4.17Å; V567-F570 HydrophobicContact CB-CE2 4.35Å; V567-F570 HydrophobicContact CB-CZ 3.69Å; V567-F570 HydrophobicContact CG1-CD1 4.37Å; V567-F570 HydrophobicContact CG1-CE1 3.76Å; V567-F570 HydrophobicContact CG1-CE2 4.21Å; V567-F570 HydrophobicContact CG1-CZ 3.66Å; E568-F570 WeakPolarHBondContact O-CE2 3.21Å; F570-V575 HydrophobicContact CB-CG1 3.86Å; F570-V575 HydrophobicContact CB-CG2 4.02Å; F570-V575 HydrophobicContact CD1-CG1 3.77Å; F570-V575 HydrophobicContact CG-CG1 4.09Å; F570-W585 HydrophobicContact CB-CH2 4Å; F570-W585 AromaticContact CD2-CH2 3.77Å; F570-W585 HydrophobicContact CD2-CH2 3.77Å; F570-W585 AromaticContact CD2-CZ3 3.7Å; F570-W585 HydrophobicContact CD2-CZ3 3.7Å; F570-W585 HydrophobicContact CE2-CH2 4.48Å; F570-W585 HydrophobicContact CE2-CZ3 4.27Å; F570-W585 AromaticContact CG-CH2 3.85Å; F570-W585 HydrophobicContact CG-CH2 3.85Å; F570-W585 HydrophobicContact CG-CZ3 4.26Å; F570-C587 HydrophobicContact CD1-CB 4.24Å; F570-C587 HydrophobicContact CD2-CB 3.96Å; F570-C587 HydrophobicContact CE1-CB 3.7Å; F570-C587 HydrophobicContact CE2-CB 3.41Å; F570-C587 VanDerWaalsContact CE2-CB 3.41Å; F570-C587 HydrophobicContact CG-CB 4.37Å; F570-C587 HydrophobicContact CZ-CB 3.27Å; F570-C587 VanDerWaalsContact CZ-SG 3.59Å
571	H	95.8	Very high	91.5	Very high	1 Å²	1	76 Å²	76	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.1	171.9	-44.8	96.3	0	0	0	110.2	C547 C549 V552 F554 S573 C574 V575	C547-H571 WeakPolarHBondContact CB-ND1 3.49Å; C547-H571 PolarHBondContact SG-N 3.49Å; C547-H571 VanDerWaalsContact SG-N 3.37Å; C549-H571 PolarHBondContact SG-CE1 3.48Å; C549-H571 PolarHBondContact SG-ND1 3.25Å; V552-H571 PolarHBondContact O-NE2 3.45Å; F554-H571 AromaticContact CD1-CD2 3.74Å; F554-H571 AromaticContact CD1-NE2 3.4Å; F554-H571 WeakPolarHBondContact CD1-NE2 3.5Å; F554-H571 AromaticContact CD2-CD2 3.99Å; F554-H571 AromaticContact CE1-CD2 3.65Å; F554-H571 AromaticContact CE1-CE1 3.6Å; F554-H571 AromaticContact CE1-NE2 3.32Å; F554-H571 VanDerWaalsContact CE1-NE2 3.32Å; F554-H571 WeakPolarHBondContact CE1-NE2 3.48Å; F554-H571 HydrophobicContact CE2-CB 4.4Å; F554-H571 AromaticContact CE2-CD2 3.9Å; F554-H571 AromaticContact CG-CD2 3.89Å; F554-H571 AromaticContact CG-NE2 3.99Å; F554-H571 HydrophobicContact CZ-CB 4.4Å; F554-H571 AromaticContact CZ-CD2 3.72Å; F554-H571 AromaticContact CZ-CG 3.81Å; F554-H571 AromaticContact CZ-NE2 3.86Å; F554-H571 PolarHBondContact O-CD2 3.33Å; H571-S573 PolarHBondContact O-N 2.86Å; H571-C574 HydrophobicContact CB-CB 4.3Å; H571-C574 PolarHBondContact O-N 3.38Å; H571-V575 WeakPolarHBondContact O-CG2 3.37Å; H571-V575 PolarHBondContact O-N 3.27Å
572	F	94.3	Very high	91.2	Very high	27 Å²	27	83.7 Å²	83.7	12%	0.118	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-49.4	-44.6	-179.5	-93.9	42.1	0	0	0	112.8	D556 I558 C574 V575 D576 V577 Q580	D556-F572 HydrophobicContact CB-CB 3.93Å; D556-F572 HydrophobicContact CB-CD1 3.65Å; D556-F572 HydrophobicContact CB-CD2 3.6Å; D556-F572 HydrophobicContact CB-CE1 3.93Å; D556-F572 HydrophobicContact CB-CE2 3.9Å; D556-F572 HydrophobicContact CB-CG 3.47Å; D556-F572 VanDerWaalsContact CB-CG 3.47Å; D556-F572 HydrophobicContact CB-CZ 4.05Å; D556-F572 WeakPolarHBondContact O-CB 3.36Å; D556-F572 WeakPolarHBondContact O-CD1 3.49Å; D556-F572 PolarHBondContact O-N 2.87Å; I558-F572 HydrophobicContact CB-CD1 4.26Å; I558-F572 HydrophobicContact CB-CE1 3.9Å; I558-F572 HydrophobicContact CG2-CD1 4.36Å; I558-F572 HydrophobicContact CG2-CE1 4.46Å; F572-C574 VanDerWaalsContact C-N 3.31Å; F572-C574 PolarHBondContact O-N 2.85Å; F572-V575 PolarHBondContact O-N 3Å; F572-D576 PolarHBondContact O-N 3.11Å; F572-V577 CarbonylContact C-O 3.53Å; F572-V577 WeakPolarHBondContact CB-O 3.5Å; F572-V577 HydrophobicContact CD1-CB 4.49Å; F572-V577 HydrophobicContact CD1-CG1 4.12Å; F572-V577 HydrophobicContact CD2-CB 4.47Å; F572-V577 HydrophobicContact CD2-CG1 3.89Å; F572-V577 WeakPolarHBondContact CD2-O 3.33Å; F572-V577 HydrophobicContact CE1-CG1 4.16Å; F572-V577 HydrophobicContact CE2-CG1 3.93Å; F572-V577 HydrophobicContact CG-CB 4.23Å; F572-V577 HydrophobicContact CG-CG1 3.99Å; F572-V577 WeakPolarHBondContact CG-O 3.14Å; F572-V577 HydrophobicContact CZ-CG1 4.07Å; F572-V577 PolarHBondContact O-N 3.07Å; F572-Q580 HydrophobicContact CZ-CB 4.21Å
573	S	92.8	Very high	91.1	Very high	90 Å²	90	84.2 Å²	84.2	63%	0.629	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-64.6	-26.7	177.7	51	0	0	0	0	114.7	H571	H571-S573 PolarHBondContact O-N 2.86Å
574	C	93.5	Very high	91.2	Very high	40 Å²	40	81.2 Å²	81.2	27%	0.27	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-90	-10	-178.1	-66.4	0	0	0	0	113.5	C547 I548 H571 F572	C547-C574 WeakPolarHBondContact SG-CB 3.42Å; I548-C574 WeakPolarHBondContact CD1-O 3.36Å; I548-C574 HydrophobicContact CG1-CB 4.36Å; H571-C574 HydrophobicContact CB-CB 4.3Å; H571-C574 PolarHBondContact O-N 3.38Å; F572-C574 VanDerWaalsContact C-N 3.31Å; F572-C574 PolarHBondContact O-N 2.85Å
575	V	93.1	Very high	91.4	Very high	21 Å²	21	75.3 Å²	75.3	13%	0.127	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	21	178.2	-66.8	0	0	0	0	113.2	I558 F570 H571 F572 V577 W585 P588	I558-V575 HydrophobicContact CG2-CG2 4.13Å; F570-V575 HydrophobicContact CB-CG1 3.86Å; F570-V575 HydrophobicContact CB-CG2 4.02Å; F570-V575 HydrophobicContact CD1-CG1 3.77Å; F570-V575 HydrophobicContact CG-CG1 4.09Å; H571-V575 WeakPolarHBondContact O-CG2 3.37Å; H571-V575 PolarHBondContact O-N 3.27Å; F572-V575 PolarHBondContact O-N 3Å; V575-V577 HydrophobicContact CG2-CB 4.25Å; V575-V577 HydrophobicContact CG2-CG2 3.83Å; V575-V577 PolarHBondContact O-N 3.27Å; V575-W585 HydrophobicContact CB-CH2 4.37Å; V575-W585 HydrophobicContact CB-CZ2 3.96Å; V575-W585 HydrophobicContact CG1-CH2 4.29Å; V575-W585 HydrophobicContact CG1-CZ2 4.34Å; V575-W585 HydrophobicContact CG2-CH2 4.05Å; V575-W585 HydrophobicContact CG2-CZ2 3.67Å; V575-P588 HydrophobicContact CG1-CG 4.17Å
576	D	90.5	Very high	91.5	Very high	135 Å²	135	76.2 Å²	76.2	72%	0.722	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	21.1	-179.5	-83.1	-58.5	0	0	0	115.5	F572 R578	F572-D576 PolarHBondContact O-N 3.11Å; D576-R578 PolarHBondContact O-N 3.04Å
577	V	91.1	Very high	91.7	Very high	19 Å²	19	67 Å²	67	12%	0.115	35%	0.345	C	S	.	.			trans	-83.4	113	175.8	174.4	0	0	0	0	108.3	F572 V575 V579 W585	F572-V577 CarbonylContact C-O 3.53Å; F572-V577 WeakPolarHBondContact CB-O 3.5Å; F572-V577 HydrophobicContact CD1-CB 4.49Å; F572-V577 HydrophobicContact CD1-CG1 4.12Å; F572-V577 HydrophobicContact CD2-CB 4.47Å; F572-V577 HydrophobicContact CD2-CG1 3.89Å; F572-V577 WeakPolarHBondContact CD2-O 3.33Å; F572-V577 HydrophobicContact CE1-CG1 4.16Å; F572-V577 HydrophobicContact CE2-CG1 3.93Å; F572-V577 HydrophobicContact CG-CB 4.23Å; F572-V577 HydrophobicContact CG-CG1 3.99Å; F572-V577 WeakPolarHBondContact CG-O 3.14Å; F572-V577 HydrophobicContact CZ-CG1 4.07Å; F572-V577 PolarHBondContact O-N 3.07Å; V575-V577 HydrophobicContact CG2-CB 4.25Å; V575-V577 HydrophobicContact CG2-CG2 3.83Å; V575-V577 PolarHBondContact O-N 3.27Å; V577-V579 WeakPolarHBondContact CG1-O 3.14Å; V577-W585 HydrophobicContact CG2-CZ2 4.19Å
578	R	89	Confident	91.7	Very high	217 Å²	217	68.2 Å²	68.2	82%	0.819	36%	0.355	S	S	*	.			trans	-100	-13.5	-178.7	-60.1	-175.3	-176.2	-164.8	-2	114.7	D576	D576-R578 PolarHBondContact O-N 3.04Å
579	V	89.1	Confident	91.5	Very high	116 Å²	116	71.8 Å²	71.8	70%	0.703	37%	0.365	S	S	*	.	S	Bend	trans	-150.1	141.2	-177.6	-179.1	0	0	0	0	106.2	V577 P581	V577-V579 WeakPolarHBondContact CG1-O 3.14Å; V579-P581 WeakPolarHBondContact O-CD 3.44Å; V579-P581 VanDerWaalsContact O-N 3.14Å
580	Q	89.5	Confident	91.3	Very high	117 Å²	117	72.3 Å²	72.3	55%	0.547	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-54.1	119.4	176.7	-166.5	-177.4	32.6	0	0	110.2	F572	F572-Q580 HydrophobicContact CZ-CB 4.21Å
581	P	88.9	Confident	90.8	Very high	49 Å²	49	78 Å²	78	32%	0.318	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-72.6	146.8	-177.9	30.4	-34.1	0	0	0	110.3	I558 V579 W585	I558-P581 VanDerWaalsContact CD1-CD 3.44Å; I558-P581 HydrophobicContact CD1-CG 3.33Å; V579-P581 WeakPolarHBondContact O-CD 3.44Å; V579-P581 VanDerWaalsContact O-N 3.14Å; P581-W585 HydrophobicContact CG-CB 3.92Å; P581-W585 HydrophobicContact CG-CG 4Å
582	K	86.5	Confident	89.7	Confident	205 Å²	205	80 Å²	80	89%	0.891	41%	0.414	S	S	*	.	S	Bend	trans	-87.8	129.6	177.4	-62.7	-166.5	175.1	-163.1	0	110.8
583	G	89.2	Confident	88	Confident	54 Å²	54	88.7 Å²	88.7	56%	0.557	46%	0.455	S	S	*	.	S	Bend	trans	81.9	-163.4	-176.3	0	0	0	0	0	112.8
584	K	89.9	Confident	85.8	Confident	133 Å²	133	87.5 Å²	87.5	58%	0.578	45%	0.446	S	S	*	.			trans	-68.2	132.9	-172.2	-68.1	-162.9	173.5	-161	0	112.9	D561 Y586	D561-K584 HydrophobicContact CB-CB 4.23Å; D561-K584 HydrophobicContact CB-CD 4.25Å; D561-K584 HydrophobicContact CB-CG 4.34Å; D561-K584 WeakPolarHBondContact OD2-CA 3.4Å; K584-Y586 HydrophobicContact CB-CE2 4.22Å
585	W	93.2	Very high	83.8	Confident	15 Å²	15	91 Å²	91	6%	0.057	47%	0.471	C	S	.	.			trans	-118	133.5	174.3	-177.1	97.4	0	0	0	111.1	I558 C560 D561 F570 V575 V577 P581 C587	I558-W585 HydrophobicContact CD1-CB 3.74Å; I558-W585 HydrophobicContact CD1-CD2 3.54Å; I558-W585 HydrophobicContact CD1-CE3 4.01Å; I558-W585 HydrophobicContact CD1-CG 3.42Å; I558-W585 VanDerWaalsContact CD1-CG 3.42Å; I558-W585 HydrophobicContact CG1-CB 4.42Å; I558-W585 HydrophobicContact CG1-CD2 3.88Å; I558-W585 HydrophobicContact CG1-CE3 3.79Å; I558-W585 HydrophobicContact CG1-CG 4.18Å; I558-W585 HydrophobicContact CG1-CZ3 4.3Å; I558-W585 HydrophobicContact CG2-CD2 4.27Å; I558-W585 HydrophobicContact CG2-CE3 4.12Å; I558-W585 HydrophobicContact CG2-CH2 3.71Å; I558-W585 HydrophobicContact CG2-CZ2 3.87Å; I558-W585 HydrophobicContact CG2-CZ3 3.84Å; C560-W585 HydrophobicContact CB-CE3 4.42Å; C560-W585 HydrophobicContact CB-CZ3 4.09Å; D561-W585 WeakPolarHBondContact CB-O 3.24Å; D561-W585 PolarHBondContact N-O 3.18Å; D561-W585 PolarHBondContact OD2-N 2.86Å; F570-W585 HydrophobicContact CB-CH2 4Å; F570-W585 AromaticContact CD2-CH2 3.77Å; F570-W585 HydrophobicContact CD2-CH2 3.77Å; F570-W585 AromaticContact CD2-CZ3 3.7Å; F570-W585 HydrophobicContact CD2-CZ3 3.7Å; F570-W585 HydrophobicContact CE2-CH2 4.48Å; F570-W585 HydrophobicContact CE2-CZ3 4.27Å; F570-W585 AromaticContact CG-CH2 3.85Å; F570-W585 HydrophobicContact CG-CH2 3.85Å; F570-W585 HydrophobicContact CG-CZ3 4.26Å; V575-W585 HydrophobicContact CB-CH2 4.37Å; V575-W585 HydrophobicContact CB-CZ2 3.96Å; V575-W585 HydrophobicContact CG1-CH2 4.29Å; V575-W585 HydrophobicContact CG1-CZ2 4.34Å; V575-W585 HydrophobicContact CG2-CH2 4.05Å; V575-W585 HydrophobicContact CG2-CZ2 3.67Å; V577-W585 HydrophobicContact CG2-CZ2 4.19Å; P581-W585 HydrophobicContact CG-CB 3.92Å; P581-W585 HydrophobicContact CG-CG 4Å; W585-C587 VanDerWaalsContact CH2-CA 3.44Å; W585-C587 HydrophobicContact CH2-CB 3.62Å; W585-C587 HydrophobicContact CZ3-CB 3.73Å
586	Y	93.3	Very high	81.5	Confident	30 Å²	30	99.7 Å²	99.7	12%	0.118	51%	0.508	C	S	.	.			trans	-114.9	146.4	173.3	-58	-81.5	0	0	0	109.1	D561 N562 K584 R591 R599	D561-Y586 HydrophobicContact CB-CD1 4.4Å; D561-Y586 HydrophobicContact CB-CE1 4.08Å; N562-Y586 HydrophobicContact CB-CD1 3.96Å; N562-Y586 HydrophobicContact CB-CE1 4.22Å; K584-Y586 HydrophobicContact CB-CE2 4.22Å; Y586-R591 PolarHBondContact O-NE 2.74Å; Y586-R591 PolarHBondContact O-NH2 3.11Å; Y586-R599 PolarHBondContact OH-O 2.91Å; Y586-R599 VanDerWaalsContact OH-O 3.11Å
587	C	93.1	Very high	79.4	Confident	0 Å²	0	98.1 Å²	98.1	0%	0	50%	0.498	C	S	.	.			trans	-74.5	168.8	176.7	76.1	0	0	0	0	112.2	C560 F570 W585 Y589 C590 R591	C560-C587 HydrophobicContact CB-CB 4.21Å; C560-C587 PolarHBondContact SG-N 2.92Å; F570-C587 HydrophobicContact CD1-CB 4.24Å; F570-C587 HydrophobicContact CD2-CB 3.96Å; F570-C587 HydrophobicContact CE1-CB 3.7Å; F570-C587 HydrophobicContact CE2-CB 3.41Å; F570-C587 VanDerWaalsContact CE2-CB 3.41Å; F570-C587 HydrophobicContact CG-CB 4.37Å; F570-C587 HydrophobicContact CZ-CB 3.27Å; F570-C587 VanDerWaalsContact CZ-SG 3.59Å; W585-C587 VanDerWaalsContact CH2-CA 3.44Å; W585-C587 HydrophobicContact CH2-CB 3.62Å; W585-C587 HydrophobicContact CZ3-CB 3.73Å; C587-Y589 VanDerWaalsContact C-N 3.32Å; C587-Y589 PolarHBondContact O-N 2.98Å; C587-C590 PolarHBondContact O-N 3.47Å; C587-C590 VanDerWaalsContact O-N 3.13Å; C587-C590 PolarHBondContact SG-N 2.81Å; C587-R591 WeakPolarHBondContact O-CG 3.48Å; C587-R591 PolarHBondContact O-N 3.05Å
588	P	89.4	Confident	77.1	Confident	65 Å²	65	104.7 Å²	104.7	42%	0.422	53%	0.525	S	S	.	.	H	α-helix	trans	-52.4	-45.6	179.7	-28.3	36.6	0	0	0	113.6	V575 C590 R591 G592	V575-P588 HydrophobicContact CG1-CG 4.17Å; P588-C590 PolarHBondContact O-N 2.85Å; P588-R591 PolarHBondContact O-N 3.21Å; P588-G592 PolarHBondContact O-N 3.16Å; P588-G592 VanDerWaalsContact O-N 3.14Å
589	Y	89.1	Confident	75	Confident	158 Å²	158	101.5 Å²	101.5	62%	0.62	51%	0.513	S	S	*	.	H	α-helix	trans	-61.5	-41.8	178.1	-55.3	-49.8	0	0	0	112.8	I548 C587	I548-Y589 HydrophobicContact CG2-CD2 4.44Å; I548-Y589 HydrophobicContact CG2-CE2 3.56Å; C587-Y589 VanDerWaalsContact C-N 3.32Å; C587-Y589 PolarHBondContact O-N 2.98Å
590	C	90.6	Very high	73	Confident	27 Å²	27	98.2 Å²	98.2	18%	0.182	50%	0.495	C	S	.	.	H	α-helix	trans	-79.9	-20.9	-178.2	-61.2	0	0	0	0	113.9	N562 C565 C587 P588	N562-C590 HydrophobicContact CB-CB 4.04Å; N562-C590 PolarHBondContact ND2-SG 3.23Å; C565-C590 VanDerWaalsContact SG-SG 3.62Å; C587-C590 PolarHBondContact O-N 3.47Å; C587-C590 VanDerWaalsContact O-N 3.13Å; C587-C590 PolarHBondContact SG-N 2.81Å; P588-C590 PolarHBondContact O-N 2.85Å
591	R	84.9	Confident	70.6	Confident	118 Å²	118	99.8 Å²	99.8	45%	0.445	51%	0.507	S	S	.	.	H	α-helix	trans	-73.6	-42.5	170	-69.9	178.5	-164.8	-157.8	2	112	Y586 C587 P588	Y586-R591 PolarHBondContact O-NE 2.74Å; Y586-R591 PolarHBondContact O-NH2 3.11Å; C587-R591 WeakPolarHBondContact O-CG 3.48Å; C587-R591 PolarHBondContact O-N 3.05Å; P588-R591 PolarHBondContact O-N 3.21Å
592	G	73.5	Confident	68.2	Low	44 Å²	44	106.2 Å²	106.2	45%	0.454	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	-173.7	-166.6	0	0	0	0	0	113.1	P588 S594	P588-G592 PolarHBondContact O-N 3.16Å; P588-G592 VanDerWaalsContact O-N 3.14Å; G592-S594 PolarHBondContact O-N 3.44Å; G592-S594 VanDerWaalsContact O-N 3.09Å
593	E	58	Low	67.3	Low	210 Å²	210	101.3 Å²	101.3	98%	0.981	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	0.8	-173.7	-63.1	170.8	-176.6	0	0	114.4
594	S	46.5	Very low	66.2	Low	64 Å²	64	103.8 Å²	103.8	45%	0.448	52%	0.517	S	S	.	.			trans	-122.7	89.1	-177.4	56	0	0	0	0	111.8	G592 K596	G592-S594 PolarHBondContact O-N 3.44Å; G592-S594 VanDerWaalsContact O-N 3.09Å; S594-K596 PolarHBondContact O-N 3.26Å
595	S	52.1	Low	64.9	Low	114 Å²	114	102.2 Å²	102.2	80%	0.797	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	42.7	-174.6	69.9	0	0	0	0	115.2
596	K	45.1	Very low	63.2	Low	204 Å²	204	107.3 Å²	107.3	89%	0.887	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	-7.3	179	-70	-169.6	176.1	-176.8	0	114.4	S594	S594-K596 PolarHBondContact O-N 3.26Å
597	I	46.4	Very low	61.3	Low	102 Å²	102	112.1 Å²	112.1	52%	0.523	57%	0.567	S	S	.	*			trans	-98.5	97.8	-175.8	-52.3	-179.5	0	0	0	110.4	R599	I597-R599 HydrophobicContact CG2-CG 3.97Å; I597-R599 PolarHBondContact O-N 3.43Å
598	K	43	Very low	59.2	Low	156 Å²	156	119.6 Å²	119.6	68%	0.678	61%	0.605	S	S	*	*			trans	-73.3	88.5	167.2	179.8	-166.2	171.4	-166.5	0	108.7	S600	K598-S600 PolarHBondContact O-N 3.24Å
599	R	43	Very low	57	Low	151 Å²	151	123.5 Å²	123.5	57%	0.57	62%	0.618	S	S	*	*			trans	-70.8	82.1	167.3	-72.6	-168.8	175.2	111.2	-6.9	110.1	Y586 I597	Y586-R599 PolarHBondContact OH-O 2.91Å; Y586-R599 VanDerWaalsContact OH-O 3.11Å; I597-R599 HydrophobicContact CG2-CG 3.97Å; I597-R599 PolarHBondContact O-N 3.43Å
600	S	47.1	Very low	54.6	Low	46 Å²	46	120.8 Å²	120.8	32%	0.322	62%	0.618	S	S	.	*			trans	-83.1	159.6	131.8	54	0	0	0	0	108.1	K598	K598-S600 PolarHBondContact O-N 3.24Å
601	D	40.3	Very low	51.6	Low	150 Å²	150	128.7 Å²	128.7	80%	0.802	66%	0.655	S	S	*	*			trans	72.6	56.5	162.8	-34.2	-48.9	0	0	0	115.4
602	I	39.1	Very low	48.5	Very low	185 Å²	185	129.6 Å²	129.6	95%	0.949	67%	0.674	S	S	*	*			trans	-128	0	136.7	-76.7	170.8	0	0	0	105.8

Retrieved 602 of 602 residues in 300.1 ms (Link to these results)

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