A0A5K4F754_SCHMA Loading...

U1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F754, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 311 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.1	Very low	58	Low	167 Å²	167	76.5 Å²	76.5	82%	0.823	41%	0.407	S	S	*	.				0	126.4	0	-79.7	176.7	-178.3	0	0	105.5	D3 N95	M1-D3 PolarHBondContact O-N 2.76Å; M1-N95 HydrophobicContact CE-CB 3.59Å; M1-N95 WeakPolarHBondContact CE-ND2 3.49Å; M1-N95 PolarHBondContact SD-ND2 3.28Å; M1-N95 VanDerWaalsContact SD-ND2 3.38Å
2	S	45.1	Very low	59.1	Low	90 Å²	90	77 Å²	77	63%	0.629	41%	0.408	S	S	*	.			trans	-79.6	116	177.1	-36.1	0	0	0	0	106.7	V4 C15	S2-V4 PolarHBondContact O-N 3.29Å; S2-V4 VanDerWaalsContact O-N 3.17Å; S2-C15 WeakPolarHBondContact CB-O 3.26Å
3	D	52.3	Low	60.2	Low	87 Å²	87	78.3 Å²	78.3	47%	0.465	41%	0.414	S	S	.	.			trans	-62	119.7	178.4	-63.8	-40	0	0	0	107.9	M1 V5 Q17	M1-D3 PolarHBondContact O-N 2.76Å; D3-V5 HydrophobicContact CB-CG2 4.21Å; D3-V5 WeakPolarHBondContact O-CG2 3.37Å; D3-V5 PolarHBondContact O-N 3.37Å; D3-Q17 HydrophobicContact CB-CG 3.97Å; D3-Q17 PolarHBondContact OD2-NE2 2.94Å
4	V	56.5	Low	61.3	Low	80 Å²	80	74.4 Å²	74.4	49%	0.485	39%	0.392	S	S	.	.			trans	-79	119	173.5	178.9	0	0	0	0	106.6	S2 I13 F14	S2-V4 PolarHBondContact O-N 3.29Å; S2-V4 VanDerWaalsContact O-N 3.17Å; V4-I13 HydrophobicContact CG1-CG2 3.23Å; V4-F14 CarbonylContact C-O 3.6Å; V4-F14 VanDerWaalsContact CA-O 3.25Å; V4-F14 WeakPolarHBondContact CA-O 3.3Å
5	V	61.2	Low	61.9	Low	34 Å²	34	75 Å²	75	21%	0.206	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.2	-175.4	-159	0	0	0	0	109.3	D3 F14 Q17 Y20	D3-V5 HydrophobicContact CB-CG2 4.21Å; D3-V5 WeakPolarHBondContact O-CG2 3.37Å; D3-V5 PolarHBondContact O-N 3.37Å; V5-F14 PolarHBondContact N-O 3.1Å; V5-F14 PolarHBondContact O-N 3.29Å; V5-Q17 HydrophobicContact CG2-CG 4.07Å; V5-Y20 HydrophobicContact CB-CD1 4.09Å; V5-Y20 HydrophobicContact CB-CD2 3.57Å; V5-Y20 HydrophobicContact CB-CE2 4.04Å; V5-Y20 HydrophobicContact CB-CG 3.58Å; V5-Y20 HydrophobicContact CG1-CD1 3.68Å; V5-Y20 HydrophobicContact CG1-CD2 3.49Å; V5-Y20 VanDerWaalsContact CG1-CD2 3.49Å; V5-Y20 HydrophobicContact CG1-CE1 3.64Å; V5-Y20 HydrophobicContact CG1-CE2 3.43Å; V5-Y20 VanDerWaalsContact CG1-CE2 3.43Å; V5-Y20 HydrophobicContact CG1-CG 3.6Å; V5-Y20 VanDerWaalsContact CG1-CZ 3.49Å; V5-Y20 HydrophobicContact CG2-CG 4.3Å
6	E	62.4	Low	62.3	Low	102 Å²	102	73.7 Å²	73.7	48%	0.477	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.4	-179.4	-173.5	-171.9	171.3	0	0	110.7	F8 K11 I12 I13 Y20	E6-F8 PolarHBondContact O-N 3.17Å; E6-K11 WeakPolarHBondContact OE1-CB 3.42Å; E6-K11 WeakPolarHBondContact OE1-CD 3.16Å; E6-I12 WeakPolarHBondContact CA-O 3.35Å; E6-I13 HydrophobicContact CG-CG1 4.35Å; E6-Y20 VanDerWaalsContact O-CE2 3.31Å; E6-Y20 WeakPolarHBondContact O-CE2 3.37Å
7	C	65.5	Low	62.4	Low	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.399	C	S	.	.			trans	-67	119.9	173.5	-179.6	0	0	0	0	110.3	V9 C10 K11 I12 F14 Y20 H23	C7-V9 PolarHBondContact O-N 2.93Å; C7-V9 VanDerWaalsContact O-N 3.17Å; C7-C10 WeakPolarHBondContact CB-SG 3.49Å; C7-C10 PolarHBondContact SG-SG 2.93Å; C7-K11 WeakPolarHBondContact O-CA 3.39Å; C7-K11 PolarHBondContact O-N 2.99Å; C7-I12 PolarHBondContact N-O 2.97Å; C7-F14 HydrophobicContact CB-CE2 3.95Å; C7-Y20 HydrophobicContact CB-CE2 4.39Å; C7-H23 VanDerWaalsContact SG-CD2 3.59Å; C7-H23 PolarHBondContact SG-NE2 2.75Å
8	F	56.9	Low	62.8	Low	75 Å²	75	79.7 Å²	79.7	33%	0.329	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.3	-178.7	66.8	-77.4	0	0	0	113.3	E6 K11 V24 M224	E6-F8 PolarHBondContact O-N 3.17Å; F8-K11 WeakPolarHBondContact O-CE 3.31Å; F8-K11 PolarHBondContact O-NZ 3Å; F8-V24 HydrophobicContact CE1-CG1 4.32Å; F8-M224 HydrophobicContact CE2-CE 4.48Å; F8-M224 HydrophobicContact CZ-CE 4.35Å
9	V	57.2	Low	63	Low	37 Å²	37	78.4 Å²	78.4	22%	0.224	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-60.1	-178	-177.1	0	0	0	0	112	C7 C29 H30	C7-V9 PolarHBondContact O-N 2.93Å; C7-V9 VanDerWaalsContact O-N 3.17Å; V9-C29 HydrophobicContact CB-CB 4.43Å; V9-C29 VanDerWaalsContact CB-SG 3.56Å; V9-C29 HydrophobicContact CG1-CB 4.3Å; V9-C29 VanDerWaalsContact CG1-O 3.29Å; V9-C29 WeakPolarHBondContact CG1-O 3.23Å; V9-H30 WeakPolarHBondContact CG1-ND1 3.36Å
10	C	69.5	Low	63.4	Low	42 Å²	42	75.7 Å²	75.7	28%	0.284	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-2.3	-171.5	68	0	0	0	0	114.1	C7 I12 H23 C29	C7-C10 WeakPolarHBondContact CB-SG 3.49Å; C7-C10 PolarHBondContact SG-SG 2.93Å; C10-I12 HydrophobicContact CB-CD1 4.37Å; C10-I12 HydrophobicContact CB-CG1 4.32Å; C10-I12 PolarHBondContact O-N 3.13Å; C10-I12 VanDerWaalsContact SG-CD1 3.58Å; C10-I12 WeakPolarHBondContact SG-CG1 3.18Å; C10-H23 PolarHBondContact SG-NE2 3.27Å; C10-C29 HydrophobicContact CB-CB 4.02Å
11	K	70.7	Confident	63.5	Low	128 Å²	128	74.4 Å²	74.4	56%	0.557	39%	0.388	S	S	*	.			trans	62.9	16.5	179.9	-48.3	-61.8	177.5	-168.6	0	114.9	E6 C7 F8	E6-K11 WeakPolarHBondContact OE1-CB 3.42Å; E6-K11 WeakPolarHBondContact OE1-CD 3.16Å; C7-K11 WeakPolarHBondContact O-CA 3.39Å; C7-K11 PolarHBondContact O-N 2.99Å; F8-K11 WeakPolarHBondContact O-CE 3.31Å; F8-K11 PolarHBondContact O-NZ 3Å
12	I	71.4	Confident	64.9	Low	82 Å²	82	72.2 Å²	72.2	42%	0.421	37%	0.374	S	S	.	.			trans	-71.2	134.3	173.6	-62.5	172	0	0	0	109.1	E6 C7 C10 F14	E6-I12 WeakPolarHBondContact CA-O 3.35Å; C7-I12 PolarHBondContact N-O 2.97Å; C10-I12 HydrophobicContact CB-CD1 4.37Å; C10-I12 HydrophobicContact CB-CG1 4.32Å; C10-I12 PolarHBondContact O-N 3.13Å; C10-I12 VanDerWaalsContact SG-CD1 3.58Å; C10-I12 WeakPolarHBondContact SG-CG1 3.18Å; I12-F14 HydrophobicContact CB-CE2 3.68Å; I12-F14 HydrophobicContact CB-CZ 3.81Å; I12-F14 HydrophobicContact CG2-CD2 4.27Å; I12-F14 HydrophobicContact CG2-CE1 4.03Å; I12-F14 HydrophobicContact CG2-CE2 3.52Å; I12-F14 HydrophobicContact CG2-CZ 3.34Å; I12-F14 VanDerWaalsContact O-CD2 3.29Å; I12-F14 WeakPolarHBondContact O-CD2 3.35Å; I12-F14 WeakPolarHBondContact O-CE2 3.45Å
13	I	72.7	Confident	66.2	Low	94 Å²	94	68.4 Å²	68.4	48%	0.482	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.4	180	-60.3	175.5	0	0	0	109	V4 E6	V4-I13 HydrophobicContact CG1-CG2 3.23Å; E6-I13 HydrophobicContact CG-CG1 4.35Å
14	F	76.3	Confident	66.7	Low	24 Å²	24	65.9 Å²	65.9	11%	0.105	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.2	-179.4	-64.6	-87.9	0	0	0	109.6	V4 V5 C7 I12 D16 T19 Y20 H23	V4-F14 CarbonylContact C-O 3.6Å; V4-F14 VanDerWaalsContact CA-O 3.25Å; V4-F14 WeakPolarHBondContact CA-O 3.3Å; V5-F14 PolarHBondContact N-O 3.1Å; V5-F14 PolarHBondContact O-N 3.29Å; C7-F14 HydrophobicContact CB-CE2 3.95Å; I12-F14 HydrophobicContact CB-CE2 3.68Å; I12-F14 HydrophobicContact CB-CZ 3.81Å; I12-F14 HydrophobicContact CG2-CD2 4.27Å; I12-F14 HydrophobicContact CG2-CE1 4.03Å; I12-F14 HydrophobicContact CG2-CE2 3.52Å; I12-F14 HydrophobicContact CG2-CZ 3.34Å; I12-F14 VanDerWaalsContact O-CD2 3.29Å; I12-F14 WeakPolarHBondContact O-CD2 3.35Å; I12-F14 WeakPolarHBondContact O-CE2 3.45Å; F14-D16 PolarHBondContact O-N 3.47Å; F14-T19 VanDerWaalsContact CD1-C 3.48Å; F14-T19 WeakPolarHBondContact CD1-O 3.37Å; F14-Y20 HydrophobicContact CB-CD2 4.45Å; F14-Y20 AromaticContact CD2-CD2 3.66Å; F14-Y20 HydrophobicContact CD2-CD2 3.66Å; F14-Y20 HydrophobicContact CD2-CG 4.4Å; F14-Y20 HydrophobicContact CE2-CD2 4.32Å; F14-Y20 VanDerWaalsContact CG-CA 3.42Å; F14-Y20 HydrophobicContact CG-CD2 4.26Å; F14-H23 HydrophobicContact CD1-CB 4.36Å; F14-H23 HydrophobicContact CE1-CB 3.42Å; F14-H23 VanDerWaalsContact CE1-CB 3.42Å; F14-H23 AromaticContact CE1-CG 3.81Å; F14-H23 HydrophobicContact CE2-CB 3.94Å; F14-H23 AromaticContact CE2-CD2 3.54Å; F14-H23 AromaticContact CE2-CG 3.74Å; F14-H23 HydrophobicContact CZ-CB 3.18Å; F14-H23 AromaticContact CZ-CD2 3.36Å; F14-H23 WeakPolarHBondContact CZ-CD2 3.48Å; F14-H23 AromaticContact CZ-CG 3.07Å; F14-H23 AromaticContact CZ-ND1 3.67Å
15	C	69.4	Low	66.7	Low	83 Å²	83	63.6 Å²	63.6	56%	0.561	32%	0.317	S	S	*	.	S	Bend	trans	-83.9	-2.4	-179.1	-67.2	0	0	0	0	112.7	S2	S2-C15 WeakPolarHBondContact CB-O 3.26Å
16	D	69.1	Low	67	Low	54 Å²	54	67.7 Å²	67.7	29%	0.289	33%	0.334	S	S	.	.	S	Bend	trans	-150.8	148.5	177.8	66.3	95.3	0	0	0	109.7	F14 E18 T19 Y20	F14-D16 PolarHBondContact O-N 3.47Å; D16-E18 PolarHBondContact O-N 2.93Å; D16-E18 WeakPolarHBondContact OD1-CB 3.3Å; D16-E18 PolarHBondContact OD1-N 3.47Å; D16-T19 PolarHBondContact O-OG1 3.43Å; D16-T19 VanDerWaalsContact O-OG1 3.11Å; D16-T19 WeakPolarHBondContact OD1-CB 2.89Å; D16-T19 VanDerWaalsContact OD1-CG2 3.31Å; D16-T19 WeakPolarHBondContact OD1-CG2 3.09Å; D16-T19 PolarHBondContact OD1-N 2.95Å; D16-T19 PolarHBondContact OD1-OG1 3.16Å; D16-T19 VanDerWaalsContact OD1-OG1 3.13Å; D16-T19 WeakPolarHBondContact OD2-CB 3.45Å; D16-T19 WeakPolarHBondContact OD2-CG2 2.93Å; D16-T19 PolarHBondContact OD2-OG1 3.11Å; D16-Y20 PolarHBondContact O-N 3.17Å; D16-Y20 VanDerWaalsContact O-N 3.13Å
17	Q	63.2	Low	67	Low	94 Å²	94	67.1 Å²	67.1	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-29.3	-178.7	-67.2	-168.5	-0.8	0	0	112	D3 V5 Y20 W21	D3-Q17 HydrophobicContact CB-CG 3.97Å; D3-Q17 PolarHBondContact OD2-NE2 2.94Å; V5-Q17 HydrophobicContact CG2-CG 4.07Å; Q17-Y20 WeakPolarHBondContact O-CB 2.91Å; Q17-Y20 PolarHBondContact O-N 2.94Å; Q17-W21 WeakPolarHBondContact O-CB 3.33Å; Q17-W21 PolarHBondContact O-N 2.99Å
18	E	69.3	Low	66.5	Low	162 Å²	162	72 Å²	72	76%	0.757	36%	0.359	S	S	*	.	H	α-helix	trans	-69	-44.8	-176.7	-169.6	172.9	-172.9	0	0	111.1	D16 W21 K22	D16-E18 PolarHBondContact O-N 2.93Å; D16-E18 WeakPolarHBondContact OD1-CB 3.3Å; D16-E18 PolarHBondContact OD1-N 3.47Å; E18-W21 PolarHBondContact O-N 2.91Å; E18-K22 VanDerWaalsContact O-CB 3.26Å; E18-K22 WeakPolarHBondContact O-CB 3.3Å; E18-K22 PolarHBondContact O-N 3.38Å
19	T	68.2	Low	66.9	Low	54 Å²	54	69.6 Å²	69.6	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-69.2	-36.7	174.2	58.7	0	0	0	0	112.2	F14 D16 K22 H23	F14-T19 VanDerWaalsContact CD1-C 3.48Å; F14-T19 WeakPolarHBondContact CD1-O 3.37Å; D16-T19 PolarHBondContact O-OG1 3.43Å; D16-T19 VanDerWaalsContact O-OG1 3.11Å; D16-T19 WeakPolarHBondContact OD1-CB 2.89Å; D16-T19 VanDerWaalsContact OD1-CG2 3.31Å; D16-T19 WeakPolarHBondContact OD1-CG2 3.09Å; D16-T19 PolarHBondContact OD1-N 2.95Å; D16-T19 PolarHBondContact OD1-OG1 3.16Å; D16-T19 VanDerWaalsContact OD1-OG1 3.13Å; D16-T19 WeakPolarHBondContact OD2-CB 3.45Å; D16-T19 WeakPolarHBondContact OD2-CG2 2.93Å; D16-T19 PolarHBondContact OD2-OG1 3.11Å; T19-K22 PolarHBondContact O-N 2.88Å; T19-H23 WeakPolarHBondContact O-CB 3.39Å; T19-H23 PolarHBondContact O-N 3.3Å
20	Y	70.2	Confident	66.7	Low	24 Å²	24	71.8 Å²	71.8	9%	0.094	36%	0.36	C	S	.	.	H	α-helix	trans	-56.2	-53	171.2	172.7	-103.3	0	0	0	111.4	V5 E6 C7 F14 D16 Q17 H23 V24	V5-Y20 HydrophobicContact CB-CD1 4.09Å; V5-Y20 HydrophobicContact CB-CD2 3.57Å; V5-Y20 HydrophobicContact CB-CE2 4.04Å; V5-Y20 HydrophobicContact CB-CG 3.58Å; V5-Y20 HydrophobicContact CG1-CD1 3.68Å; V5-Y20 HydrophobicContact CG1-CD2 3.49Å; V5-Y20 VanDerWaalsContact CG1-CD2 3.49Å; V5-Y20 HydrophobicContact CG1-CE1 3.64Å; V5-Y20 HydrophobicContact CG1-CE2 3.43Å; V5-Y20 VanDerWaalsContact CG1-CE2 3.43Å; V5-Y20 HydrophobicContact CG1-CG 3.6Å; V5-Y20 VanDerWaalsContact CG1-CZ 3.49Å; V5-Y20 HydrophobicContact CG2-CG 4.3Å; E6-Y20 VanDerWaalsContact O-CE2 3.31Å; E6-Y20 WeakPolarHBondContact O-CE2 3.37Å; C7-Y20 HydrophobicContact CB-CE2 4.39Å; F14-Y20 HydrophobicContact CB-CD2 4.45Å; F14-Y20 AromaticContact CD2-CD2 3.66Å; F14-Y20 HydrophobicContact CD2-CD2 3.66Å; F14-Y20 HydrophobicContact CD2-CG 4.4Å; F14-Y20 HydrophobicContact CE2-CD2 4.32Å; F14-Y20 VanDerWaalsContact CG-CA 3.42Å; F14-Y20 HydrophobicContact CG-CD2 4.26Å; D16-Y20 PolarHBondContact O-N 3.17Å; D16-Y20 VanDerWaalsContact O-N 3.13Å; Q17-Y20 WeakPolarHBondContact O-CB 2.91Å; Q17-Y20 PolarHBondContact O-N 2.94Å; Y20-H23 WeakPolarHBondContact O-CB 3.06Å; Y20-H23 PolarHBondContact O-N 3.02Å; Y20-V24 HydrophobicContact CD1-CG2 4.36Å; Y20-V24 HydrophobicContact CD2-CG2 4.18Å; Y20-V24 HydrophobicContact CE1-CG2 3.93Å; Y20-V24 HydrophobicContact CE2-CG2 3.74Å; Y20-V24 HydrophobicContact CG-CG2 4.49Å; Y20-V24 WeakPolarHBondContact O-CG2 3.43Å; Y20-V24 PolarHBondContact O-N 2.76Å
21	W	64.5	Low	65.6	Low	49 Å²	49	74 Å²	74	19%	0.186	37%	0.369	C	S	.	.	H	α-helix	trans	-66.6	-41.7	-179.1	-75.3	123.6	0	0	0	111	Q17 E18 H23 V24 Y25 F244	Q17-W21 WeakPolarHBondContact O-CB 3.33Å; Q17-W21 PolarHBondContact O-N 2.99Å; E18-W21 PolarHBondContact O-N 2.91Å; W21-H23 VanDerWaalsContact C-N 3.26Å; W21-H23 PolarHBondContact O-N 3.11Å; W21-V24 HydrophobicContact CE3-CB 4.3Å; W21-V24 HydrophobicContact CE3-CG1 4.28Å; W21-V24 HydrophobicContact CZ3-CG1 4.16Å; W21-V24 PolarHBondContact O-N 3.42Å; W21-Y25 HydrophobicContact CB-CD2 3.87Å; W21-Y25 HydrophobicContact CB-CE2 3.7Å; W21-Y25 AromaticContact CD2-CE2 3.83Å; W21-Y25 HydrophobicContact CD2-CE2 3.83Å; W21-Y25 HydrophobicContact CE3-CD2 4.14Å; W21-Y25 HydrophobicContact CE3-CE1 4.3Å; W21-Y25 AromaticContact CE3-CE2 3.34Å; W21-Y25 HydrophobicContact CE3-CE2 3.34Å; W21-Y25 AromaticContact CE3-CZ 3.43Å; W21-Y25 VanDerWaalsContact CE3-CZ 3.43Å; W21-Y25 AromaticContact CG-CE2 4Å; W21-Y25 HydrophobicContact CG-CE2 4Å; W21-Y25 HydrophobicContact CZ3-CE2 4.27Å; W21-Y25 AromaticContact CZ3-CZ 3.9Å; W21-Y25 VanDerWaalsContact O-CB 3.23Å; W21-Y25 WeakPolarHBondContact O-CB 3.3Å; W21-Y25 WeakPolarHBondContact O-CD2 3.34Å; W21-Y25 VanDerWaalsContact O-CG 3.24Å; W21-Y25 PolarHBondContact O-N 3.2Å; W21-F244 HydrophobicContact CH2-CD2 4.25Å; W21-F244 AromaticContact CH2-CE2 3.47Å; W21-F244 HydrophobicContact CH2-CE2 3.47Å; W21-F244 VanDerWaalsContact CH2-CE2 3.47Å; W21-F244 HydrophobicContact CH2-CZ 4.4Å; W21-F244 AromaticContact CZ2-CD2 3.75Å; W21-F244 HydrophobicContact CZ2-CD2 3.75Å; W21-F244 AromaticContact CZ2-CE2 3.42Å; W21-F244 HydrophobicContact CZ2-CE2 3.42Å; W21-F244 VanDerWaalsContact CZ2-CE2 3.42Å; W21-F244 HydrophobicContact CZ3-CE2 4.48Å
22	K	70.7	Confident	64.3	Low	121 Å²	121	73.8 Å²	73.8	53%	0.526	38%	0.381	S	S	.	.	H	α-helix	trans	-53.6	-47.1	173.4	-166.4	179.3	-177	-179.8	0	111.1	E18 T19 Y25 E26	E18-K22 VanDerWaalsContact O-CB 3.26Å; E18-K22 WeakPolarHBondContact O-CB 3.3Å; E18-K22 PolarHBondContact O-N 3.38Å; T19-K22 PolarHBondContact O-N 2.88Å; K22-Y25 PolarHBondContact O-N 2.91Å; K22-E26 WeakPolarHBondContact CE-OE2 3.26Å; K22-E26 VanDerWaalsContact CG-CD 3.46Å; K22-E26 HydrophobicContact CG-CG 4.22Å; K22-E26 VanDerWaalsContact CG-OE2 3.28Å; K22-E26 WeakPolarHBondContact CG-OE2 3.08Å; K22-E26 WeakPolarHBondContact O-CA 3.14Å; K22-E26 VanDerWaalsContact O-CB 3.22Å; K22-E26 WeakPolarHBondContact O-CB 3.2Å; K22-E26 PolarHBondContact O-N 2.94Å
23	H	72.2	Confident	62.6	Low	11 Å²	11	74.9 Å²	74.9	5%	0.051	39%	0.394	C	S	.	.	H	α-helix	trans	-64.4	-50.1	176.9	174.6	74.9	0	0	0	113.3	C7 C10 F14 T19 Y20 W21 Y25 D27 C29	C7-H23 VanDerWaalsContact SG-CD2 3.59Å; C7-H23 PolarHBondContact SG-NE2 2.75Å; C10-H23 PolarHBondContact SG-NE2 3.27Å; F14-H23 HydrophobicContact CD1-CB 4.36Å; F14-H23 HydrophobicContact CE1-CB 3.42Å; F14-H23 VanDerWaalsContact CE1-CB 3.42Å; F14-H23 AromaticContact CE1-CG 3.81Å; F14-H23 HydrophobicContact CE2-CB 3.94Å; F14-H23 AromaticContact CE2-CD2 3.54Å; F14-H23 AromaticContact CE2-CG 3.74Å; F14-H23 HydrophobicContact CZ-CB 3.18Å; F14-H23 AromaticContact CZ-CD2 3.36Å; F14-H23 WeakPolarHBondContact CZ-CD2 3.48Å; F14-H23 AromaticContact CZ-CG 3.07Å; F14-H23 AromaticContact CZ-ND1 3.67Å; T19-H23 WeakPolarHBondContact O-CB 3.39Å; T19-H23 PolarHBondContact O-N 3.3Å; Y20-H23 WeakPolarHBondContact O-CB 3.06Å; Y20-H23 PolarHBondContact O-N 3.02Å; W21-H23 VanDerWaalsContact C-N 3.26Å; W21-H23 PolarHBondContact O-N 3.11Å; H23-Y25 PolarHBondContact O-N 3.4Å; H23-Y25 VanDerWaalsContact O-N 3.13Å; H23-D27 IonicContact CE1-OD2 2.88Å; H23-D27 IonicContact CG-OD2 3.71Å; H23-D27 IonicContact ND1-OD2 3.74Å; H23-D27 PolarHBondContact ND1-OD2 3.38Å; H23-D27 WeakPolarHBondContact O-CB 3.39Å; H23-D27 PolarHBondContact O-N 3.06Å; H23-D27 VanDerWaalsContact O-N 3.13Å; H23-C29 WeakPolarHBondContact NE2-CB 3.21Å
24	V	63.1	Low	60.9	Low	34 Å²	34	80.6 Å²	80.6	21%	0.206	41%	0.41	C	S	.	.	H	α-helix	trans	-59.6	-27.6	179.9	169.6	0	0	0	0	111.9	F8 Y20 W21	F8-V24 HydrophobicContact CE1-CG1 4.32Å; Y20-V24 HydrophobicContact CD1-CG2 4.36Å; Y20-V24 HydrophobicContact CD2-CG2 4.18Å; Y20-V24 HydrophobicContact CE1-CG2 3.93Å; Y20-V24 HydrophobicContact CE2-CG2 3.74Å; Y20-V24 HydrophobicContact CG-CG2 4.49Å; Y20-V24 WeakPolarHBondContact O-CG2 3.43Å; Y20-V24 PolarHBondContact O-N 2.76Å; W21-V24 HydrophobicContact CE3-CB 4.3Å; W21-V24 HydrophobicContact CE3-CG1 4.28Å; W21-V24 HydrophobicContact CZ3-CG1 4.16Å; W21-V24 PolarHBondContact O-N 3.42Å
25	Y	57.8	Low	58.5	Low	32 Å²	32	85.4 Å²	85.4	13%	0.125	44%	0.441	C	S	.	.	H	α-helix	trans	-105.5	-32.7	-173	-67.8	-51.4	0	0	0	116.6	W21 K22 H23 L248 K251	W21-Y25 HydrophobicContact CB-CD2 3.87Å; W21-Y25 HydrophobicContact CB-CE2 3.7Å; W21-Y25 AromaticContact CD2-CE2 3.83Å; W21-Y25 HydrophobicContact CD2-CE2 3.83Å; W21-Y25 HydrophobicContact CE3-CD2 4.14Å; W21-Y25 HydrophobicContact CE3-CE1 4.3Å; W21-Y25 AromaticContact CE3-CE2 3.34Å; W21-Y25 HydrophobicContact CE3-CE2 3.34Å; W21-Y25 AromaticContact CE3-CZ 3.43Å; W21-Y25 VanDerWaalsContact CE3-CZ 3.43Å; W21-Y25 AromaticContact CG-CE2 4Å; W21-Y25 HydrophobicContact CG-CE2 4Å; W21-Y25 HydrophobicContact CZ3-CE2 4.27Å; W21-Y25 AromaticContact CZ3-CZ 3.9Å; W21-Y25 VanDerWaalsContact O-CB 3.23Å; W21-Y25 WeakPolarHBondContact O-CB 3.3Å; W21-Y25 WeakPolarHBondContact O-CD2 3.34Å; W21-Y25 VanDerWaalsContact O-CG 3.24Å; W21-Y25 PolarHBondContact O-N 3.2Å; K22-Y25 PolarHBondContact O-N 2.91Å; H23-Y25 PolarHBondContact O-N 3.4Å; H23-Y25 VanDerWaalsContact O-N 3.13Å; Y25-L248 HydrophobicContact CE1-CD1 4.09Å; Y25-L248 WeakPolarHBondContact OH-CD1 2.87Å; Y25-K251 HydrophobicContact CD1-CD 3.59Å; Y25-K251 HydrophobicContact CD1-CG 4.3Å; Y25-K251 HydrophobicContact CD2-CD 3.6Å; Y25-K251 VanDerWaalsContact CD2-NZ 3.33Å; Y25-K251 HydrophobicContact CE1-CD 3.8Å; Y25-K251 HydrophobicContact CE1-CG 4.33Å; Y25-K251 HydrophobicContact CE2-CD 3.82Å; Y25-K251 HydrophobicContact CG-CD 3.51Å
26	E	66.4	Low	56.7	Low	120 Å²	120	86.6 Å²	86.6	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-103.2	-31.8	-175.9	-61	179.1	-170.4	0	0	111.4	K22	K22-E26 WeakPolarHBondContact CE-OE2 3.26Å; K22-E26 VanDerWaalsContact CG-CD 3.46Å; K22-E26 HydrophobicContact CG-CG 4.22Å; K22-E26 VanDerWaalsContact CG-OE2 3.28Å; K22-E26 WeakPolarHBondContact CG-OE2 3.08Å; K22-E26 WeakPolarHBondContact O-CA 3.14Å; K22-E26 VanDerWaalsContact O-CB 3.22Å; K22-E26 WeakPolarHBondContact O-CB 3.2Å; K22-E26 PolarHBondContact O-N 2.94Å
27	D	62.5	Low	54.9	Low	90 Å²	90	89.9 Å²	89.9	48%	0.481	47%	0.472	S	S	.	.	S	Bend	trans	-91.1	122	178.3	-61.9	-30.3	0	0	0	109.8	H23 C29	H23-D27 IonicContact CE1-OD2 2.88Å; H23-D27 IonicContact CG-OD2 3.71Å; H23-D27 IonicContact ND1-OD2 3.74Å; H23-D27 PolarHBondContact ND1-OD2 3.38Å; H23-D27 WeakPolarHBondContact O-CB 3.39Å; H23-D27 PolarHBondContact O-N 3.06Å; H23-D27 VanDerWaalsContact O-N 3.13Å; D27-C29 PolarHBondContact O-N 3.34Å
28	D	54.6	Low	53.5	Low	101 Å²	101	88.6 Å²	88.6	54%	0.54	48%	0.478	S	S	.	.			trans	-72.6	72.2	170.8	-153.2	6.3	0	0	0	109.2	H30 N31	D28-H30 PolarHBondContact O-N 3.2Å; D28-N31 PolarHBondContact O-N 2.99Å
29	C	65.9	Low	51.5	Low	26 Å²	26	87.9 Å²	87.9	18%	0.176	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	1.5	-175.1	58.5	0	0	0	0	113.5	V9 C10 H23 D27 N31	V9-C29 HydrophobicContact CB-CB 4.43Å; V9-C29 VanDerWaalsContact CB-SG 3.56Å; V9-C29 HydrophobicContact CG1-CB 4.3Å; V9-C29 VanDerWaalsContact CG1-O 3.29Å; V9-C29 WeakPolarHBondContact CG1-O 3.23Å; C10-C29 HydrophobicContact CB-CB 4.02Å; H23-C29 WeakPolarHBondContact NE2-CB 3.21Å; D27-C29 PolarHBondContact O-N 3.34Å; C29-N31 VanDerWaalsContact C-N 3.31Å
30	H	53.4	Low	49.8	Very low	82 Å²	82	94.3 Å²	94.3	38%	0.38	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.2	174.2	-76.9	-34.8	0	0	0	115.2	V9 D28 P32 R220	V9-H30 WeakPolarHBondContact CG1-ND1 3.36Å; D28-H30 PolarHBondContact O-N 3.2Å; H30-P32 WeakPolarHBondContact O-CD 3.43Å; H30-R220 PolarHBondContact CE1-NH1 3.29Å; H30-R220 PolarHBondContact CE1-NH2 3.45Å; H30-R220 PolarHBondContact NE2-NE 3.32Å; H30-R220 PolarHBondContact NE2-NH1 3.42Å
31	N	45.7	Very low	47.9	Very low	89 Å²	89	97.7 Å²	97.7	48%	0.476	53%	0.53	S	S	.	.			trans	-101.3	99.3	-176.6	-134.8	-27.5	0	0	0	110.7	D28 C29 C33 R34	D28-N31 PolarHBondContact O-N 2.99Å; C29-N31 VanDerWaalsContact C-N 3.31Å; N31-C33 PolarHBondContact O-N 3.24Å; N31-R34 PolarHBondContact O-N 3.04Å
32	P	44.6	Very low	46.2	Very low	124 Å²	124	102.1 Å²	102.1	81%	0.805	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-5.1	178	24.9	-32.8	0	0	0	113.3	H30	H30-P32 WeakPolarHBondContact O-CD 3.43Å
33	C	35.9	Very low	44.2	Very low	104 Å²	104	103.5 Å²	103.5	70%	0.703	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	1.9	-179.8	-75.3	0	0	0	0	115.7	N31 T35	N31-C33 PolarHBondContact O-N 3.24Å; C33-T35 PolarHBondContact O-N 3.06Å
34	R	35.3	Very low	42.3	Very low	214 Å²	214	111.3 Å²	111.3	81%	0.808	61%	0.605	S	S	*	*			trans	-95.6	76.8	166.5	-80.3	-166.4	176.1	-167.6	1.2	110.1	N31 S36	N31-R34 PolarHBondContact O-N 3.04Å; R34-S36 PolarHBondContact O-N 3.1Å
35	T	27.2	Very low	40.8	Very low	126 Å²	126	116.9 Å²	116.9	77%	0.773	63%	0.633	S	S	*	*			trans	-51.7	90.8	150	45	0	0	0	0	108.6	C33 T37	C33-T35 PolarHBondContact O-N 3.06Å; T35-T37 PolarHBondContact O-N 3.23Å
36	S	31	Very low	39.4	Very low	107 Å²	107	123 Å²	123	75%	0.748	67%	0.668	S	S	*	*			trans	-89.4	95	159.8	-154	0	0	0	0	106.2	R34 A38	R34-S36 PolarHBondContact O-N 3.1Å; S36-A38 PolarHBondContact O-N 2.99Å
37	T	30.7	Very low	37.5	Very low	123 Å²	123	125.2 Å²	125.2	76%	0.755	68%	0.682	S	S	*	*			trans	-45.9	84.6	152.6	34.7	0	0	0	0	109	T35	T35-T37 PolarHBondContact O-N 3.23Å
38	A	33.8	Very low	36.1	Very low	67 Å²	67	128.8 Å²	128.8	55%	0.554	70%	0.696	S	S	*	*			trans	-89	103.8	151.1	0	0	0	0	0	104.7	S36 F40	S36-A38 PolarHBondContact O-N 2.99Å; A38-F40 VanDerWaalsContact C-N 3.29Å; A38-F40 HydrophobicContact CB-CE2 4.41Å; A38-F40 PolarHBondContact O-N 3.14Å
39	D	28.5	Very low	35.2	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	71%	0.71	S	S	*	*			trans	-50.3	91.1	171.6	-72.6	-50.8	0	0	0	110.2	S41	D39-S41 PolarHBondContact O-N 3.28Å
40	F	32.5	Very low	33.3	Very low	189 Å²	189	137.1 Å²	137.1	83%	0.829	74%	0.738	S	S	*	*			trans	-86.1	79.5	152.1	-72.8	-75	0	0	0	106.1	A38 N42	A38-F40 VanDerWaalsContact C-N 3.29Å; A38-F40 HydrophobicContact CB-CE2 4.41Å; A38-F40 PolarHBondContact O-N 3.14Å; F40-N42 PolarHBondContact O-N 3.2Å
41	S	30.7	Very low	32.5	Very low	96 Å²	96	138.2 Å²	138.2	67%	0.671	75%	0.751	S	S	*	*			trans	-49.1	111.9	165.2	40.3	0	0	0	0	108.2	D39 D43	D39-S41 PolarHBondContact O-N 3.28Å; S41-D43 PolarHBondContact O-N 2.91Å
42	N	28.3	Very low	31.7	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	77%	0.766	S	S	*	*			trans	-77.5	66.8	-180	-155.1	5.4	0	0	0	107.9	F40 K44	F40-N42 PolarHBondContact O-N 3.2Å; N42-K44 PolarHBondContact O-N 3.36Å
43	D	28.5	Very low	31.3	Very low	151 Å²	151	141.9 Å²	141.9	81%	0.807	77%	0.767	S	S	*	*			trans	-81.1	64.8	174.6	-99.3	-21.4	0	0	0	110.3	S41	S41-D43 PolarHBondContact O-N 2.91Å
44	K	31.6	Very low	31	Very low	175 Å²	175	143.2 Å²	143.2	76%	0.761	77%	0.771	S	S	*	*			trans	-92.1	85.4	150.5	-84.2	-179.6	175.1	171.7	0	106.7	N42	N42-K44 PolarHBondContact O-N 3.36Å
45	N	31.2	Very low	30.9	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	77%	0.765	S	S	*	*			trans	169.9	76.7	151	-84.1	-18	0	0	0	111.6
46	N	29.1	Very low	31.3	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	76%	0.764	S	S	*	*			trans	-176.5	94.1	139	-115.1	-26.2	0	0	0	112.2
47	I	27.7	Very low	31.5	Very low	166 Å²	166	141.8 Å²	141.8	85%	0.851	76%	0.764	S	S	*	*			trans	-103.7	99.2	156	-62.7	171.7	0	0	0	105.2
48	Q	31.8	Very low	31.7	Very low	165 Å²	165	139.5 Å²	139.5	77%	0.771	75%	0.753	S	S	*	*			trans	-174.6	128.8	145.7	-109.8	167.8	-24.3	0	0	112.9
49	K	35.3	Very low	31.9	Very low	192 Å²	192	145 Å²	145	84%	0.835	77%	0.765	S	S	*	*			trans	86.1	87.9	156	-62.5	178.6	178.5	-179.7	0	118.4
50	S	27.4	Very low	32.3	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	77%	0.766	S	S	*	*			trans	-44.9	144.6	136.7	168.9	0	0	0	0	112
51	V	35.6	Very low	32.7	Very low	105 Å²	105	142 Å²	142	64%	0.636	76%	0.764	S	S	*	*				158.4	121.9	127.7	165.9	0	0	0	0	110.4
52	E	30.1	Very low	32.9	Very low	172 Å²	172	140.5 Å²	140.5	80%	0.804	76%	0.764	S	S	*	*			trans	57.3	132.1	152.3	-65.4	162.6	159.4	0	0	119.1
53	S	35.6	Very low	33.5	Very low	117 Å²	117	142 Å²	142	82%	0.818	77%	0.77	S	S	*	*				-174.5	150.4	55.8	-51.3	0	0	0	0	111.6
54	V	29.4	Very low	34	Very low	132 Å²	132	140.1 Å²	140.1	80%	0.8	77%	0.766	S	S	*	*			trans	-66.3	161.7	174.3	172.4	0	0	0	0	113.5
55	S	33.3	Very low	34.5	Very low	95 Å²	95	137.7 Å²	137.7	66%	0.664	77%	0.771	S	S	*	*			trans	108.6	137.8	155.1	-47.3	0	0	0	0	113.9
56	K	35.8	Very low	34.6	Very low	176 Å²	176	136 Å²	136	77%	0.765	77%	0.767	S	S	*	*			cis	178.4	150.4	12.8	-116.8	171.1	-178.4	175.8	0	108
57	I	34.6	Very low	35.1	Very low	146 Å²	146	136.2 Å²	136.2	75%	0.749	77%	0.768	S	S	*	*			trans	74.5	145.3	141.5	-61.3	164	0	0	0	117.9
58	S	36	Very low	35.3	Very low	75 Å²	75	136.7 Å²	136.7	52%	0.524	77%	0.766	S	S	.	*			cis	177	163.1	-24.9	78.4	0	0	0	0	108.4
59	K	37.8	Very low	35.3	Very low	184 Å²	184	133.9 Å²	133.9	80%	0.8	77%	0.771	S	S	*	*			trans	75.5	138.5	155.5	-64.8	164.5	-170.2	-174.6	0	116.5
60	N	36.1	Very low	35	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	77%	0.766	S	S	*	*			cis	-166.3	169.5	7.3	-117	-2.9	0	0	0	110.1
61	P	40.1	Very low	35.2	Very low	122 Å²	122	132.2 Å²	132.2	79%	0.792	77%	0.771	S	S	*	*			trans	-108.2	170.1	-169.3	40.1	-31	0	0	0	115.4
62	G	36	Very low	34.8	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	78%	0.778	S	S	*	*			trans	177.2	92.1	167.8	0	0	0	0	0	112.5
63	I	40.5	Very low	34.8	Very low	172 Å²	172	133.2 Å²	133.2	88%	0.882	78%	0.782	S	S	*	*				84.5	138.8	98.6	-68.8	172.5	0	0	0	114.6
64	P	40	Very low	34.5	Very low	112 Å²	112	135.5 Å²	135.5	73%	0.727	78%	0.784	S	S	*	*			trans	-117.7	177.3	-145.7	40.3	-25.6	0	0	0	115.1
65	S	40.1	Very low	34.3	Very low	125 Å²	125	139.2 Å²	139.2	87%	0.874	79%	0.789	S	S	*	*			trans	-155.1	146.3	157.6	-89.3	0	0	0	0	114.1
66	T	35.3	Very low	34	Very low	115 Å²	115	139.6 Å²	139.6	71%	0.706	80%	0.798	S	S	*	*			trans	-82.9	147.5	-158.6	-37.5	0	0	0	0	114
67	N	39.2	Very low	33.6	Very low	164 Å²	164	136.8 Å²	136.8	88%	0.877	80%	0.801	S	S	*	*				-175.1	140.1	125.7	-89.3	-20	0	0	0	112.8
68	Q	32.3	Very low	33.3	Very low	177 Å²	177	135 Å²	135	83%	0.827	80%	0.801	S	S	*	*			trans	-74.4	152.3	-162.2	-63.8	169.7	1.6	0	0	115.5
69	A	30.9	Very low	33.2	Very low	105 Å²	105	136.7 Å²	136.7	87%	0.868	81%	0.813	S	S	*	*				-154.8	129.9	127.5	0	0	0	0	0	109.2
70	S	29.5	Very low	32.6	Very low	105 Å²	105	135 Å²	135	73%	0.734	81%	0.813	S	S	*	*			trans	-73.7	142.3	-172.3	-46.7	0	0	0	0	112.8
71	D	31.7	Very low	32.4	Very low	163 Å²	163	136.2 Å²	136.2	87%	0.872	81%	0.811	S	S	*	*			trans	-156.2	145.9	140.6	-103.6	-32.1	0	0	0	112.7
72	V	26.1	Very low	31.6	Very low	129 Å²	129	134.9 Å²	134.9	78%	0.782	81%	0.81	S	S	*	*			trans	-68.7	127.6	-161.8	175.3	0	0	0	0	112.4
73	L	31.2	Very low	31.2	Very low	170 Å²	170	142.1 Å²	142.1	89%	0.89	82%	0.819	S	S	*	*			trans	-128.9	108.8	167.9	-122	138.2	0	0	0	110.2
74	L	28.9	Very low	30.5	Very low	165 Å²	165	139.3 Å²	139.3	86%	0.864	82%	0.815	S	S	*	*			trans	-62.4	129.7	177.3	-76.5	160	0	0	0	110.6
75	K	24.2	Very low	29.9	Very low	209 Å²	209	140.7 Å²	140.7	91%	0.909	81%	0.814	S	S	*	*			trans	-96.3	122.1	-177.4	-155.6	176.1	-172	179.6	0	108.7
76	A	27.8	Very low	29.2	Very low	104 Å²	104	144.9 Å²	144.9	86%	0.86	82%	0.817	S	S	*	*			trans	-107.6	126.5	161.2	0	0	0	0	0	109.2
77	S	28	Very low	29	Very low	116 Å²	116	145.1 Å²	145.1	81%	0.811	82%	0.818	S	S	*	*			trans	-78.9	149.4	-169.3	-173.5	0	0	0	0	113.1
78	S	26.7	Very low	28.3	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	81%	0.812	S	S	*	*			trans	-65.1	139.9	171.8	51.3	0	0	0	0	114.3
79	S	34.3	Very low	28.1	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	82%	0.819	S	S	*	*			trans	-170.1	113.1	141.6	57.3	0	0	0	0	108.3
80	D	25.4	Very low	27.8	Very low	148 Å²	148	146.7 Å²	146.7	79%	0.791	81%	0.814	S	S	*	*				103.8	131.1	65.2	-133.7	-2	0	0	0	111.5
81	K	31.9	Very low	27.8	Very low	175 Å²	175	152.7 Å²	152.7	76%	0.761	82%	0.821	S	S	*	*			trans	88.5	101.2	162.7	-59.3	179.5	-178.4	175.6	0	120.1
82	A	24.5	Very low	27.8	Very low	93 Å²	93	152.4 Å²	152.4	77%	0.769	82%	0.819	S	S	*	*			trans	-60.2	138	160.6	0	0	0	0	0	113.2
83	Y	27.1	Very low	28.4	Very low	217 Å²	217	151.2 Å²	151.2	85%	0.851	81%	0.814	S	S	*	*			trans	-118.1	111.3	159.6	-94.6	-88.2	0	0	0	109.1
84	S	24.3	Very low	29.2	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	81%	0.807	S	S	*	*			trans	-95.7	103.7	173.9	-50.3	0	0	0	0	109.1
85	I	28.8	Very low	30.6	Very low	141 Å²	141	145.1 Å²	145.1	72%	0.723	79%	0.788	S	S	*	*			trans	-101.1	111.7	171.1	-56.8	178.5	0	0	0	108.3	V87	I85-V87 HydrophobicContact CG2-CG2 3.9Å
86	K	25.7	Very low	32.9	Very low	213 Å²	213	141.7 Å²	141.7	93%	0.926	77%	0.773	S	S	*	*			trans	-80.5	120.8	170.4	-69.5	-179.6	177.9	180	0	109
87	V	29.7	Very low	34.8	Very low	119 Å²	119	137.6 Å²	137.6	72%	0.721	74%	0.739	S	S	*	*			trans	-124.6	139	169.7	-176.9	0	0	0	0	109.1	I85	I85-V87 HydrophobicContact CG2-CG2 3.9Å
88	P	25.8	Very low	37	Very low	117 Å²	117	137.8 Å²	137.8	76%	0.76	72%	0.723	S	S	*	*			trans	-82.2	137.3	-161.8	-2.3	20.9	0	0	0	113	K90	P88-K90 PolarHBondContact O-N 2.87Å
89	L	27.4	Very low	39.6	Very low	184 Å²	184	132.8 Å²	132.8	96%	0.963	69%	0.688	S	S	*	*			trans	-62.4	117.6	170.7	-93.1	90.6	0	0	0	111.2
90	K	25.1	Very low	41.4	Very low	178 Å²	178	133.7 Å²	133.7	77%	0.774	68%	0.684	S	S	*	*			trans	-120.5	119.8	162.1	-94.7	-176	177.5	176.3	0	110.5	P88	P88-K90 PolarHBondContact O-N 2.87Å
91	R	28.8	Very low	43.9	Very low	231 Å²	231	128.7 Å²	128.7	87%	0.872	66%	0.659	S	S	*	*			trans	76.7	135.6	145.2	-64.3	-178.6	175.5	164.3	-3.4	120.9
92	N	31.3	Very low	46.4	Very low	158 Å²	158	121.4 Å²	121.4	85%	0.845	63%	0.63	S	S	*	*			trans	-61.6	146.1	174.8	-69.3	-35.4	0	0	0	114.6
93	P	39.9	Very low	49.2	Very low	104 Å²	104	124.1 Å²	124.1	68%	0.675	63%	0.626	S	S	*	*			trans	-116.6	126.8	136.5	26.9	-11.9	0	0	0	109.8	N95	P93-N95 PolarHBondContact O-N 3.35Å
94	T	47.6	Very low	51.7	Low	119 Å²	119	116.6 Å²	116.6	73%	0.73	60%	0.603	S	S	*	*			trans	-67.9	94	-179.5	43.3	0	0	0	0	111	K96	T94-K96 PolarHBondContact O-N 2.9Å
95	N	58.1	Low	54.5	Low	88 Å²	88	114.3 Å²	114.3	47%	0.471	59%	0.587	S	S	.	*			trans	-72.1	76.4	174.5	-167.2	2.5	0	0	0	110.8	M1 P93	M1-N95 HydrophobicContact CE-CB 3.59Å; M1-N95 WeakPolarHBondContact CE-ND2 3.49Å; M1-N95 PolarHBondContact SD-ND2 3.28Å; M1-N95 VanDerWaalsContact SD-ND2 3.38Å; P93-N95 PolarHBondContact O-N 3.35Å
96	K	72.4	Confident	57.2	Low	136 Å²	136	109 Å²	109	59%	0.591	56%	0.559	S	S	*	*			trans	-104.3	128	172.9	-64.8	-174.4	177	-174.3	0	108.7	T94 M106	T94-K96 PolarHBondContact O-N 2.9Å; K96-M106 CarbonylContact C-O 3.51Å; K96-M106 VanDerWaalsContact CA-O 3.22Å; K96-M106 WeakPolarHBondContact CA-O 3.5Å
97	A	68.4	Low	59.6	Low	19 Å²	19	101.7 Å²	101.7	16%	0.157	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	148.1	165.4	0	0	0	0	0	109.5	S105 M106 P108 L111	A97-S105 CarbonylContact O-C 3.41Å; A97-S105 WeakPolarHBondContact O-CA 3.18Å; A97-M106 PolarHBondContact N-O 3.36Å; A97-M106 PolarHBondContact O-N 3.29Å; A97-M106 VanDerWaalsContact O-O 3.12Å; A97-P108 HydrophobicContact CB-CB 4.36Å; A97-P108 HydrophobicContact CB-CG 4.18Å; A97-L111 HydrophobicContact CB-CB 4.06Å; A97-L111 HydrophobicContact CB-CD2 3.78Å; A97-L111 HydrophobicContact CB-CG 4.45Å
98	Y	73.9	Confident	61.5	Low	119 Å²	119	98.4 Å²	98.4	47%	0.467	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.7	-175.1	-175.9	-102.2	0	0	0	110	D100 Q103	Y98-D100 VanDerWaalsContact CD1-OD1 3.23Å; Y98-D100 WeakPolarHBondContact CD1-OD1 3.01Å; Y98-D100 WeakPolarHBondContact CE1-OD1 3.38Å; Y98-Q103 WeakPolarHBondContact OH-CA 3.31Å; Y98-Q103 WeakPolarHBondContact OH-CB 3.46Å
99	C	81.1	Confident	63.6	Low	3 Å²	3	99.9 Å²	99.9	2%	0.02	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.8	172	179.2	0	0	0	0	109.9	V101 C102 Q103 T104 M106 L111 H114 H120	C99-V101 VanDerWaalsContact C-N 3.3Å; C99-V101 PolarHBondContact O-N 2.95Å; C99-C102 HydrophobicContact CB-CB 4.39Å; C99-C102 PolarHBondContact O-N 3.08Å; C99-C102 PolarHBondContact SG-N 3.17Å; C99-Q103 VanDerWaalsContact O-CA 3.23Å; C99-Q103 WeakPolarHBondContact O-CA 3.23Å; C99-Q103 PolarHBondContact O-N 3.02Å; C99-T104 PolarHBondContact N-O 2.95Å; C99-T104 PolarHBondContact O-N 3.05Å; C99-M106 HydrophobicContact CB-CE 3.96Å; C99-L111 HydrophobicContact CB-CD1 3.74Å; C99-H114 WeakPolarHBondContact CB-NE2 3.43Å; C99-H114 VanDerWaalsContact SG-CD2 3.59Å; C99-H114 PolarHBondContact SG-NE2 2.85Å; C99-H120 PolarHBondContact SG-CE1 3.45Å; C99-H120 PolarHBondContact SG-ND1 2.67Å
100	D	73.2	Confident	65.9	Low	131 Å²	131	93.4 Å²	93.4	70%	0.701	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.9	178.9	-65.8	-40.1	0	0	0	112.9	Y98	Y98-D100 VanDerWaalsContact CD1-OD1 3.23Å; Y98-D100 WeakPolarHBondContact CD1-OD1 3.01Å; Y98-D100 WeakPolarHBondContact CE1-OD1 3.38Å
101	V	77.6	Confident	68.3	Low	43 Å²	43	86.4 Å²	86.4	26%	0.261	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-40.6	-178.9	179.6	0	0	0	0	111.7	C99 M123 L124 L129	C99-V101 VanDerWaalsContact C-N 3.3Å; C99-V101 PolarHBondContact O-N 2.95Å; V101-M123 HydrophobicContact CG1-CB 3.81Å; V101-L124 HydrophobicContact CG1-CD2 3.94Å; V101-L124 HydrophobicContact CG1-CG 4.01Å; V101-L124 HydrophobicContact CG2-CD2 3.84Å; V101-L129 HydrophobicContact CG2-CD1 4.46Å
102	C	82.9	Confident	70.4	Confident	22 Å²	22	80.2 Å²	80.2	15%	0.149	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-3.9	-175.5	-71.8	0	0	0	0	113.5	C99 T104 H114	C99-C102 HydrophobicContact CB-CB 4.39Å; C99-C102 PolarHBondContact O-N 3.08Å; C99-C102 PolarHBondContact SG-N 3.17Å; C102-T104 VanDerWaalsContact C-N 3.26Å; C102-T104 PolarHBondContact O-N 3.29Å; C102-H114 WeakPolarHBondContact CB-CE1 3.35Å; C102-H114 VanDerWaalsContact CB-NE2 3.33Å; C102-H114 WeakPolarHBondContact CB-NE2 3.41Å; C102-H114 VanDerWaalsContact SG-CE1 3.5Å; C102-H114 PolarHBondContact SG-NE2 2.89Å
103	Q	83	Confident	72.7	Confident	150 Å²	150	80.7 Å²	80.7	70%	0.701	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	41.2	-175.9	-57.9	-177.5	14.9	0	0	113.7	Y98 C99	Y98-Q103 WeakPolarHBondContact OH-CA 3.31Å; Y98-Q103 WeakPolarHBondContact OH-CB 3.46Å; C99-Q103 VanDerWaalsContact O-CA 3.23Å; C99-Q103 WeakPolarHBondContact O-CA 3.23Å; C99-Q103 PolarHBondContact O-N 3.02Å
104	T	81.2	Confident	74.8	Confident	60 Å²	60	77.6 Å²	77.6	37%	0.368	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.3	-178.4	46.4	0	0	0	0	112	C99 C102 M106	C99-T104 PolarHBondContact N-O 2.95Å; C99-T104 PolarHBondContact O-N 3.05Å; C102-T104 VanDerWaalsContact C-N 3.26Å; C102-T104 PolarHBondContact O-N 3.29Å; T104-M106 WeakPolarHBondContact O-CE 3.36Å; T104-M106 VanDerWaalsContact OG1-CE 3.23Å; T104-M106 WeakPolarHBondContact OG1-CE 3.43Å
105	S	82.9	Confident	76.3	Confident	65 Å²	65	76.1 Å²	76.1	46%	0.455	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131	172.4	71.8	0	0	0	0	110.3	A97	A97-S105 CarbonylContact O-C 3.41Å; A97-S105 WeakPolarHBondContact O-CA 3.18Å
106	M	84.9	Confident	77.3	Confident	29 Å²	29	77 Å²	77	14%	0.143	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-178.8	-179.6	64.9	-158.9	83.6	0	0	110.5	K96 A97 C99 T104 D110 L111 H114	K96-M106 CarbonylContact C-O 3.51Å; K96-M106 VanDerWaalsContact CA-O 3.22Å; K96-M106 WeakPolarHBondContact CA-O 3.5Å; A97-M106 PolarHBondContact N-O 3.36Å; A97-M106 PolarHBondContact O-N 3.29Å; A97-M106 VanDerWaalsContact O-O 3.12Å; C99-M106 HydrophobicContact CB-CE 3.96Å; T104-M106 WeakPolarHBondContact O-CE 3.36Å; T104-M106 VanDerWaalsContact OG1-CE 3.23Å; T104-M106 WeakPolarHBondContact OG1-CE 3.43Å; M106-D110 HydrophobicContact CB-CB 3.82Å; M106-D110 HydrophobicContact CG-CB 3.84Å; M106-D110 HydrophobicContact SD-CB 4.13Å; M106-L111 HydrophobicContact CE-CD1 4.2Å; M106-L111 HydrophobicContact CG-CB 4.17Å; M106-L111 HydrophobicContact CG-CD1 4.5Å; M106-L111 VanDerWaalsContact SD-CA 3.58Å; M106-L111 HydrophobicContact SD-CB 4.28Å; M106-L111 HydrophobicContact SD-CD1 4.1Å; M106-H114 HydrophobicContact CE-CB 4.04Å; M106-H114 HydrophobicContact SD-CB 3.3Å; M106-H114 WeakPolarHBondContact SD-CB 3.36Å; M106-H114 VanDerWaalsContact SD-CG 3.55Å
107	T	75.9	Confident	77.8	Confident	61 Å²	61	71.6 Å²	71.6	37%	0.374	37%	0.372	S	S	.	.			trans	-73.3	154.2	172.8	71.4	0	0	0	0	110	F109 D110 L111	T107-F109 PolarHBondContact O-N 2.92Å; T107-D110 WeakPolarHBondContact O-CA 3.49Å; T107-D110 WeakPolarHBondContact O-CB 3.24Å; T107-D110 PolarHBondContact O-N 3.47Å; T107-D110 PolarHBondContact OG1-N 2.92Å; T107-D110 PolarHBondContact OG1-OD2 3.49Å; T107-L111 PolarHBondContact O-N 2.92Å
108	P	70.7	Confident	78.4	Confident	50 Å²	50	79.8 Å²	79.8	33%	0.325	40%	0.404	S	S	.	.	H	α-helix	trans	-52.3	-36.8	174.6	-28	34.5	0	0	0	113.7	A97 L111	A97-P108 HydrophobicContact CB-CB 4.36Å; A97-P108 HydrophobicContact CB-CG 4.18Å; P108-L111 PolarHBondContact O-N 3.23Å
109	F	69.6	Low	78.8	Confident	147 Å²	147	82.8 Å²	82.8	65%	0.645	42%	0.42	S	S	*	.	H	α-helix	trans	-65.1	-36.8	174.2	-69.5	-79.1	0	0	0	113.1	T107 L111	T107-F109 PolarHBondContact O-N 2.92Å; F109-L111 VanDerWaalsContact C-N 3.32Å
110	D	74.5	Confident	79	Confident	49 Å²	49	83.3 Å²	83.3	26%	0.262	42%	0.422	S	S	.	.	H	α-helix	trans	-73.7	-26.2	177.5	-63.7	-42.1	0	0	0	112	M106 T107 R113 H114	M106-D110 HydrophobicContact CB-CB 3.82Å; M106-D110 HydrophobicContact CG-CB 3.84Å; M106-D110 HydrophobicContact SD-CB 4.13Å; T107-D110 WeakPolarHBondContact O-CA 3.49Å; T107-D110 WeakPolarHBondContact O-CB 3.24Å; T107-D110 PolarHBondContact O-N 3.47Å; T107-D110 PolarHBondContact OG1-N 2.92Å; T107-D110 PolarHBondContact OG1-OD2 3.49Å; D110-R113 CarbonylContact O-C 3.6Å; D110-R113 PolarHBondContact O-N 2.89Å; D110-R113 IonicContact OD1-CZ 3.57Å; D110-R113 IonicContact OD1-NH1 3.93Å; D110-R113 IonicContact OD1-NH2 2.64Å; D110-R113 PolarHBondContact OD1-NH2 3.14Å; D110-H114 WeakPolarHBondContact O-CB 3.43Å; D110-H114 PolarHBondContact O-N 3.15Å
111	L	76.1	Confident	79.3	Confident	30 Å²	30	79.4 Å²	79.4	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-45.1	-179.6	-174.4	64.9	0	0	0	111.8	A97 C99 M106 T107 P108 F109 R113 H114 E115	A97-L111 HydrophobicContact CB-CB 4.06Å; A97-L111 HydrophobicContact CB-CD2 3.78Å; A97-L111 HydrophobicContact CB-CG 4.45Å; C99-L111 HydrophobicContact CB-CD1 3.74Å; M106-L111 HydrophobicContact CE-CD1 4.2Å; M106-L111 HydrophobicContact CG-CB 4.17Å; M106-L111 HydrophobicContact CG-CD1 4.5Å; M106-L111 VanDerWaalsContact SD-CA 3.58Å; M106-L111 HydrophobicContact SD-CB 4.28Å; M106-L111 HydrophobicContact SD-CD1 4.1Å; T107-L111 PolarHBondContact O-N 2.92Å; P108-L111 PolarHBondContact O-N 3.23Å; F109-L111 VanDerWaalsContact C-N 3.32Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 3.18Å; L111-H114 CarbonylContact O-C 3.54Å; L111-H114 WeakPolarHBondContact O-CA 3.44Å; L111-H114 WeakPolarHBondContact O-CB 3.3Å; L111-H114 PolarHBondContact O-N 3.42Å; L111-E115 HydrophobicContact CD1-CG 4.27Å; L111-E115 HydrophobicContact CG-CG 4.4Å; L111-E115 WeakPolarHBondContact O-CG 3.27Å; L111-E115 PolarHBondContact O-N 2.91Å
112	I	73.7	Confident	79.4	Confident	102 Å²	102	83.5 Å²	83.5	52%	0.523	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-43.8	178	-58.4	171.1	0	0	0	110.8	H114 T116	I112-H114 VanDerWaalsContact C-N 3.27Å; I112-H114 PolarHBondContact O-N 3.24Å; I112-T116 PolarHBondContact O-N 3.25Å; I112-T116 PolarHBondContact O-OG1 3.42Å
113	R	78.8	Confident	79.1	Confident	168 Å²	168	86.3 Å²	86.3	63%	0.634	43%	0.427	S	S	*	.	H	α-helix	trans	-70	-27.1	175.9	-168.8	174.2	66.1	-129.5	-5	112.2	D110 L111 T116 G117	D110-R113 CarbonylContact O-C 3.6Å; D110-R113 PolarHBondContact O-N 2.89Å; D110-R113 IonicContact OD1-CZ 3.57Å; D110-R113 IonicContact OD1-NH1 3.93Å; D110-R113 IonicContact OD1-NH2 2.64Å; D110-R113 PolarHBondContact OD1-NH2 3.14Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 3.18Å; R113-T116 PolarHBondContact O-OG1 3.5Å; R113-G117 PolarHBondContact O-N 3.16Å
114	H	84.1	Confident	78.7	Confident	38 Å²	38	80 Å²	80	18%	0.176	40%	0.398	C	S	.	.	H	α-helix	trans	-74.1	-47.8	178.2	169.3	90.2	0	0	0	111.7	C99 C102 M106 D110 L111 I112 T116 G117 H120	C99-H114 WeakPolarHBondContact CB-NE2 3.43Å; C99-H114 VanDerWaalsContact SG-CD2 3.59Å; C99-H114 PolarHBondContact SG-NE2 2.85Å; C102-H114 WeakPolarHBondContact CB-CE1 3.35Å; C102-H114 VanDerWaalsContact CB-NE2 3.33Å; C102-H114 WeakPolarHBondContact CB-NE2 3.41Å; C102-H114 VanDerWaalsContact SG-CE1 3.5Å; C102-H114 PolarHBondContact SG-NE2 2.89Å; M106-H114 HydrophobicContact CE-CB 4.04Å; M106-H114 HydrophobicContact SD-CB 3.3Å; M106-H114 WeakPolarHBondContact SD-CB 3.36Å; M106-H114 VanDerWaalsContact SD-CG 3.55Å; D110-H114 WeakPolarHBondContact O-CB 3.43Å; D110-H114 PolarHBondContact O-N 3.15Å; L111-H114 CarbonylContact O-C 3.54Å; L111-H114 WeakPolarHBondContact O-CA 3.44Å; L111-H114 WeakPolarHBondContact O-CB 3.3Å; L111-H114 PolarHBondContact O-N 3.42Å; I112-H114 VanDerWaalsContact C-N 3.27Å; I112-H114 PolarHBondContact O-N 3.24Å; H114-T116 PolarHBondContact O-N 3.37Å; H114-G117 WeakPolarHBondContact O-CA 3.28Å; H114-G117 PolarHBondContact O-N 2.85Å; H114-H120 AromaticContact CD2-ND1 3.48Å; H114-H120 PolarHBondContact CD2-ND1 3.26Å; H114-H120 AromaticContact NE2-CG 3.98Å; H114-H120 AromaticContact NE2-ND1 3.24Å; H114-H120 PolarHBondContact NE2-ND1 3.41Å; H114-H120 WeakPolarHBondContact O-CB 3.41Å
115	E	79.6	Confident	78.2	Confident	89 Å²	89	83.4 Å²	83.4	42%	0.416	41%	0.409	S	S	.	.	H	α-helix	trans	-61.9	-29.7	-179.2	-71.6	175.8	167.5	0	0	112.5	L111 H120	L111-E115 HydrophobicContact CD1-CG 4.27Å; L111-E115 HydrophobicContact CG-CG 4.4Å; L111-E115 WeakPolarHBondContact O-CG 3.27Å; L111-E115 PolarHBondContact O-N 2.91Å; E115-H120 PolarHBondContact O-CD2 3.02Å
116	T	79.1	Confident	77.7	Confident	105 Å²	105	87.7 Å²	87.7	64%	0.644	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.7	173.6	53.2	0	0	0	0	113.9	I112 R113 H114	I112-T116 PolarHBondContact O-N 3.25Å; I112-T116 PolarHBondContact O-OG1 3.42Å; R113-T116 PolarHBondContact O-OG1 3.5Å; H114-T116 PolarHBondContact O-N 3.37Å
117	G	82	Confident	76.6	Confident	23 Å²	23	89 Å²	89	24%	0.237	44%	0.435	C	S	.	.	S	Bend	trans	-81.9	149.7	-173.3	0	0	0	0	0	114.4	R113 H114 K119 H120 L121	R113-G117 PolarHBondContact O-N 3.16Å; H114-G117 WeakPolarHBondContact O-CA 3.28Å; H114-G117 PolarHBondContact O-N 2.85Å; G117-K119 PolarHBondContact O-N 3.36Å; G117-H120 PolarHBondContact O-N 2.85Å; G117-L121 PolarHBondContact O-N 3.32Å
118	K	81.6	Confident	75.7	Confident	192 Å²	192	93.6 Å²	93.6	84%	0.835	46%	0.457	S	S	*	.	H	α-helix	trans	-52.2	-34	178.5	-64.6	-175.8	-179.5	-178.4	0	114.2	K122	K118-K122 VanDerWaalsContact O-CB 3.29Å; K118-K122 WeakPolarHBondContact O-CB 3.22Å; K118-K122 PolarHBondContact O-N 3.13Å; K118-K122 VanDerWaalsContact O-N 3.12Å
119	K	82	Confident	74.7	Confident	182 Å²	182	94.8 Å²	94.8	79%	0.791	46%	0.461	S	S	*	.	H	α-helix	trans	-69	-42.8	178.3	-73.3	-174.7	179.1	180	0	111.9	G117 M123	G117-K119 PolarHBondContact O-N 3.36Å; K119-M123 VanDerWaalsContact O-CG 3.32Å; K119-M123 WeakPolarHBondContact O-CG 3.36Å; K119-M123 PolarHBondContact O-N 3.37Å; K119-M123 VanDerWaalsContact O-N 3.14Å
120	H	85.6	Confident	73.1	Confident	13 Å²	13	93.7 Å²	93.7	6%	0.06	47%	0.47	C	S	.	.	H	α-helix	trans	-67.6	-47.6	178.7	-176.8	96.9	0	0	0	111.2	C99 H114 E115 G117 K122 M123 L124	C99-H120 PolarHBondContact SG-CE1 3.45Å; C99-H120 PolarHBondContact SG-ND1 2.67Å; H114-H120 AromaticContact CD2-ND1 3.48Å; H114-H120 PolarHBondContact CD2-ND1 3.26Å; H114-H120 AromaticContact NE2-CG 3.98Å; H114-H120 AromaticContact NE2-ND1 3.24Å; H114-H120 PolarHBondContact NE2-ND1 3.41Å; H114-H120 WeakPolarHBondContact O-CB 3.41Å; E115-H120 PolarHBondContact O-CD2 3.02Å; G117-H120 PolarHBondContact O-N 2.85Å; H120-K122 VanDerWaalsContact C-N 3.3Å; H120-K122 PolarHBondContact O-N 2.98Å; H120-M123 WeakPolarHBondContact O-CA 3.42Å; H120-M123 PolarHBondContact O-N 3.38Å; H120-L124 VanDerWaalsContact CD2-CD1 3.48Å; H120-L124 WeakPolarHBondContact CD2-CD1 3.49Å; H120-L124 WeakPolarHBondContact NE2-CD1 3.35Å; H120-L124 PolarHBondContact O-N 3.49Å
121	L	79.7	Confident	71.3	Confident	49 Å²	49	92.9 Å²	92.9	26%	0.257	47%	0.47	S	S	.	.	H	α-helix	trans	-56.8	-42.4	175.4	-64.4	173.8	0	0	0	112.3	G117 M123 L124 E125 A131 P132	G117-L121 PolarHBondContact O-N 3.32Å; L121-M123 VanDerWaalsContact C-N 3.3Å; L121-M123 PolarHBondContact O-N 2.74Å; L121-L124 HydrophobicContact CD2-CD1 4.36Å; L121-L124 WeakPolarHBondContact O-CB 3.23Å; L121-L124 PolarHBondContact O-N 3.35Å; L121-E125 WeakPolarHBondContact O-CG 3.41Å; L121-E125 PolarHBondContact O-N 3.29Å; L121-A131 HydrophobicContact CD2-CB 4.42Å; L121-P132 HydrophobicContact CD2-CG 4.07Å
122	K	80.1	Confident	69.4	Low	129 Å²	129	95.7 Å²	95.7	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-66.5	-28.7	175.8	-169.3	173.6	-174.6	174	0	113.2	K118 H120 K126	K118-K122 VanDerWaalsContact O-CB 3.29Å; K118-K122 WeakPolarHBondContact O-CB 3.22Å; K118-K122 PolarHBondContact O-N 3.13Å; K118-K122 VanDerWaalsContact O-N 3.12Å; H120-K122 VanDerWaalsContact C-N 3.3Å; H120-K122 PolarHBondContact O-N 2.98Å; K122-K126 WeakPolarHBondContact O-CG 3.23Å; K122-K126 PolarHBondContact O-N 3.39Å
123	M	76.7	Confident	67.7	Low	82 Å²	82	100 Å²	100	40%	0.404	51%	0.505	S	S	.	.	H	α-helix	trans	-78.5	-37.2	174.6	-67.3	-125.3	76.7	0	0	111.6	V101 K119 H120 L121 K126 A127	V101-M123 HydrophobicContact CG1-CB 3.81Å; K119-M123 VanDerWaalsContact O-CG 3.32Å; K119-M123 WeakPolarHBondContact O-CG 3.36Å; K119-M123 PolarHBondContact O-N 3.37Å; K119-M123 VanDerWaalsContact O-N 3.14Å; H120-M123 WeakPolarHBondContact O-CA 3.42Å; H120-M123 PolarHBondContact O-N 3.38Å; L121-M123 VanDerWaalsContact C-N 3.3Å; L121-M123 PolarHBondContact O-N 2.74Å; M123-K126 PolarHBondContact O-N 3.42Å; M123-A127 WeakPolarHBondContact O-CB 3.36Å; M123-A127 PolarHBondContact O-N 2.93Å
124	L	74.8	Confident	65.4	Low	16 Å²	16	97.6 Å²	97.6	8%	0.084	51%	0.514	C	S	.	.	H	α-helix	trans	-57.1	-49.9	170.2	-76	172.9	0	0	0	111.1	V101 H120 L121 K126 A127 N128 L129 A131	V101-L124 HydrophobicContact CG1-CD2 3.94Å; V101-L124 HydrophobicContact CG1-CG 4.01Å; V101-L124 HydrophobicContact CG2-CD2 3.84Å; H120-L124 VanDerWaalsContact CD2-CD1 3.48Å; H120-L124 WeakPolarHBondContact CD2-CD1 3.49Å; H120-L124 WeakPolarHBondContact NE2-CD1 3.35Å; H120-L124 PolarHBondContact O-N 3.49Å; L121-L124 HydrophobicContact CD2-CD1 4.36Å; L121-L124 WeakPolarHBondContact O-CB 3.23Å; L121-L124 PolarHBondContact O-N 3.35Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.87Å; L124-A127 PolarHBondContact O-N 3.46Å; L124-A127 VanDerWaalsContact O-N 3.08Å; L124-N128 PolarHBondContact O-N 2.92Å; L124-L129 CarbonylContact C-O 3.42Å; L124-L129 HydrophobicContact CD2-CB 3.67Å; L124-L129 HydrophobicContact CD2-CD1 4.02Å; L124-L129 PolarHBondContact O-N 2.89Å; L124-L129 VanDerWaalsContact O-N 3.1Å; L124-L129 VanDerWaalsContact O-O 3.05Å; L124-A131 HydrophobicContact CB-CB 4.33Å
125	E	69.6	Low	63	Low	132 Å²	132	101.8 Å²	101.8	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-57.9	-41	176.4	-75	175.4	175.5	0	0	112.5	L121 A127 A131	L121-E125 WeakPolarHBondContact O-CG 3.41Å; L121-E125 PolarHBondContact O-N 3.29Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 2.91Å; E125-A131 HydrophobicContact CG-CB 4.4Å
126	K	72.7	Confident	60.7	Low	156 Å²	156	105.1 Å²	105.1	68%	0.678	56%	0.563	S	S	*	*	H	α-helix	trans	-70.2	-26	177.1	-79.7	-178	175.2	-166.9	0	113.8	K122 M123 L124 N128	K122-K126 WeakPolarHBondContact O-CG 3.23Å; K122-K126 PolarHBondContact O-N 3.39Å; M123-K126 PolarHBondContact O-N 3.42Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.87Å; K126-N128 VanDerWaalsContact C-N 3.33Å
127	A	61.7	Low	58.3	Low	55 Å²	55	103.1 Å²	103.1	46%	0.455	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.3	5.3	-178	0	0	0	0	0	113.3	M123 L124 E125 L129	M123-A127 WeakPolarHBondContact O-CB 3.36Å; M123-A127 PolarHBondContact O-N 2.93Å; L124-A127 PolarHBondContact O-N 3.46Å; L124-A127 VanDerWaalsContact O-N 3.08Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 2.91Å; A127-L129 HydrophobicContact CB-CB 4.35Å; A127-L129 HydrophobicContact CB-CD1 3.71Å; A127-L129 HydrophobicContact CB-CG 3.81Å; A127-L129 PolarHBondContact O-N 3.36Å; A127-L129 VanDerWaalsContact O-N 3.11Å
128	N	56.3	Low	55.7	Low	158 Å²	158	111 Å²	111	85%	0.845	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.1	23.8	-167.3	-72.5	-30.9	0	0	0	113.1	L124 K126	L124-N128 PolarHBondContact O-N 2.92Å; K126-N128 VanDerWaalsContact C-N 3.33Å
129	L	49.6	Very low	53.3	Low	75 Å²	75	110.5 Å²	110.5	39%	0.393	59%	0.594	S	S	.	*			trans	-87.9	125.8	172.6	-65.4	170.6	0	0	0	106.6	V101 L124 A127 A131	V101-L129 HydrophobicContact CG2-CD1 4.46Å; L124-L129 CarbonylContact C-O 3.42Å; L124-L129 HydrophobicContact CD2-CB 3.67Å; L124-L129 HydrophobicContact CD2-CD1 4.02Å; L124-L129 PolarHBondContact O-N 2.89Å; L124-L129 VanDerWaalsContact O-N 3.1Å; L124-L129 VanDerWaalsContact O-O 3.05Å; A127-L129 HydrophobicContact CB-CB 4.35Å; A127-L129 HydrophobicContact CB-CD1 3.71Å; A127-L129 HydrophobicContact CB-CG 3.81Å; A127-L129 PolarHBondContact O-N 3.36Å; A127-L129 VanDerWaalsContact O-N 3.11Å; L129-A131 PolarHBondContact O-N 3.34Å
130	C	37.1	Very low	50.6	Low	124 Å²	124	109.2 Å²	109.2	84%	0.838	60%	0.595	S	S	*	*			trans	-55.2	111.9	179.1	-78	0	0	0	0	109.9
131	A	36.4	Very low	47.9	Very low	32 Å²	32	112.4 Å²	112.4	26%	0.264	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-62.5	138.8	168.8	0	0	0	0	0	109.1	L121 L124 E125 L129 K133	L121-A131 HydrophobicContact CD2-CB 4.42Å; L124-A131 HydrophobicContact CB-CB 4.33Å; E125-A131 HydrophobicContact CG-CB 4.4Å; L129-A131 PolarHBondContact O-N 3.34Å; A131-K133 PolarHBondContact O-N 2.95Å
132	P	37.3	Very low	45.4	Very low	90 Å²	90	116.3 Å²	116.3	58%	0.584	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-60.5	118	170.8	23.7	-29.2	0	0	0	107.7	L121 S134	L121-P132 HydrophobicContact CD2-CG 4.07Å; P132-S134 PolarHBondContact O-N 3.37Å; P132-S134 VanDerWaalsContact O-N 3.13Å
133	K	37.2	Very low	43	Very low	192 Å²	192	120 Å²	120	84%	0.835	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56.3	120.6	177.4	-76.1	178.4	178.4	174.9	0	108.3	A131 V135	A131-K133 PolarHBondContact O-N 2.95Å; K133-V135 PolarHBondContact O-N 2.71Å; K133-V135 VanDerWaalsContact O-N 3.09Å
134	S	30.9	Very low	40.7	Very low	117 Å²	117	120.7 Å²	120.7	82%	0.818	67%	0.67	S	S	*	*			trans	-63.7	106.4	167.3	54.3	0	0	0	0	108.6	P132 N136	P132-S134 PolarHBondContact O-N 3.37Å; P132-S134 VanDerWaalsContact O-N 3.13Å; S134-N136 PolarHBondContact O-N 2.72Å
135	V	33.7	Very low	38.5	Very low	126 Å²	126	126.5 Å²	126.5	76%	0.764	71%	0.706	S	S	*	*			trans	-91.9	101.1	175.4	-169.2	0	0	0	0	108.2	K133	K133-V135 PolarHBondContact O-N 2.71Å; K133-V135 VanDerWaalsContact O-N 3.09Å
136	N	31	Very low	36.5	Very low	160 Å²	160	124.6 Å²	124.6	86%	0.856	70%	0.703	S	S	*	*			trans	-64.5	129.1	162.4	-125.9	12.7	0	0	0	107.8	S134	S134-N136 PolarHBondContact O-N 2.72Å
137	G	27.5	Very low	34.4	Very low	63 Å²	63	124.6 Å²	124.6	65%	0.649	71%	0.711	S	S	*	*	S	Bend	trans	16.4	130.7	166.9	0	0	0	0	0	121.3
138	H	29	Very low	32.8	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.875	72%	0.723	S	S	*	*			trans	62.9	96.8	160.6	-84.9	-70.2	0	0	0	116.9
139	Q	29.8	Very low	31.4	Very low	181 Å²	181	130.6 Å²	130.6	85%	0.846	72%	0.724	S	S	*	*				165.3	154.8	127.3	-89.7	169.7	20.2	0	0	110.7
140	D	26.4	Very low	30.3	Very low	154 Å²	154	138 Å²	138	82%	0.824	75%	0.747	S	S	*	*			trans	-59.9	168.5	-163.6	-57	-66.7	0	0	0	116.7
141	A	27.7	Very low	29.9	Very low	81 Å²	81	139 Å²	139	67%	0.669	74%	0.744	S	S	*	*			trans	84.4	118.9	147.2	0	0	0	0	0	118.6
142	N	28.8	Very low	29.5	Very low	131 Å²	131	143.1 Å²	143.1	70%	0.701	77%	0.771	S	S	*	*				77.7	117.6	123.7	-79	-21.1	0	0	0	120.4
143	Y	29.5	Very low	29.1	Very low	207 Å²	207	147.6 Å²	147.6	81%	0.812	78%	0.781	S	S	*	*			trans	70.8	138.9	159.4	-51.9	-77.8	0	0	0	116.3
144	S	27.4	Very low	28.5	Very low	95 Å²	95	148.4 Å²	148.4	66%	0.664	79%	0.785	S	S	*	*			cis	-167.8	123.6	38.7	-166.7	0	0	0	0	110.3	V146	S144-V146 PolarHBondContact O-N 3.18Å
145	T	28.6	Very low	28.4	Very low	138 Å²	138	149.3 Å²	149.3	85%	0.847	79%	0.785	S	S	*	*			trans	-72.7	99.8	162	36.6	0	0	0	0	108.3	N147	T145-N147 PolarHBondContact O-N 3.22Å
146	V	28	Very low	28.2	Very low	92 Å²	92	152 Å²	152	56%	0.558	79%	0.79	S	S	*	*			trans	-74.8	106.6	177.1	-179.2	0	0	0	0	109.4	S144 H148	S144-V146 PolarHBondContact O-N 3.18Å; V146-H148 VanDerWaalsContact CG1-CE1 3.42Å; V146-H148 WeakPolarHBondContact CG1-CE1 3.4Å; V146-H148 WeakPolarHBondContact CG1-NE2 3.34Å; V146-H148 PolarHBondContact O-N 3.38Å
147	N	27.9	Very low	28.1	Very low	156 Å²	156	150.6 Å²	150.6	83%	0.834	78%	0.782	S	S	*	*			trans	-58.2	109.3	158.6	-83.3	-31.9	0	0	0	109.3	T145 Q149	T145-N147 PolarHBondContact O-N 3.22Å; N147-Q149 PolarHBondContact O-N 2.93Å
148	H	28.6	Very low	28.2	Very low	154 Å²	154	159 Å²	159	71%	0.713	80%	0.796	S	S	*	*			trans	-91.8	93.4	166	-77.2	-57.2	0	0	0	110.3	V146 R150	V146-H148 VanDerWaalsContact CG1-CE1 3.42Å; V146-H148 WeakPolarHBondContact CG1-CE1 3.4Å; V146-H148 WeakPolarHBondContact CG1-NE2 3.34Å; V146-H148 PolarHBondContact O-N 3.38Å; H148-R150 PolarHBondContact O-N 3.1Å
149	Q	28.1	Very low	28.1	Very low	185 Å²	185	158 Å²	158	86%	0.864	79%	0.789	S	S	*	*			trans	-60.9	108.7	165.3	-155.6	172.2	23.3	0	0	109	N147 N151	N147-Q149 PolarHBondContact O-N 2.93Å; Q149-N151 PolarHBondContact O-N 3.11Å
150	R	26	Very low	28.1	Very low	231 Å²	231	156.9 Å²	156.9	87%	0.872	79%	0.789	S	S	*	*			trans	12	96.6	151.5	-162.8	-174.9	-120.7	170.5	-1.5	115.7	H148	H148-R150 PolarHBondContact O-N 3.1Å
151	N	29	Very low	28.2	Very low	144 Å²	144	153.7 Å²	153.7	77%	0.77	78%	0.777	S	S	*	*			trans	-104.9	124.2	154.7	-99.4	-6.7	0	0	0	109.4	Q149 F153	Q149-N151 PolarHBondContact O-N 3.11Å; N151-F153 PolarHBondContact O-N 2.94Å; N151-F153 VanDerWaalsContact O-N 3.16Å
152	S	26.8	Very low	28.4	Very low	119 Å²	119	157.3 Å²	157.3	83%	0.832	79%	0.785	S	S	*	*			trans	-56.9	107.9	-178.5	-59.9	0	0	0	0	112.4
153	F	28.4	Very low	28.5	Very low	184 Å²	184	160.2 Å²	160.2	81%	0.807	79%	0.794	S	S	*	*			trans	-108.4	112.5	159	-75.4	-81.7	0	0	0	108.5	N151 V155	N151-F153 PolarHBondContact O-N 2.94Å; N151-F153 VanDerWaalsContact O-N 3.16Å; F153-V155 PolarHBondContact O-N 2.74Å; F153-V155 VanDerWaalsContact O-N 3.11Å
154	K	25.9	Very low	28.4	Very low	209 Å²	209	156.7 Å²	156.7	91%	0.909	79%	0.789	S	S	*	*			trans	-52.9	111.5	164.6	-85.5	177.8	170.2	-178.2	0	107.9
155	V	29.1	Very low	28.6	Very low	136 Å²	136	157.8 Å²	157.8	82%	0.824	79%	0.794	S	S	*	*			trans	-107.2	112.1	162.3	176.3	0	0	0	0	106.3	F153	F153-V155 PolarHBondContact O-N 2.74Å; F153-V155 VanDerWaalsContact O-N 3.11Å
156	E	29.6	Very low	28.6	Very low	183 Å²	183	155.6 Å²	155.6	86%	0.855	78%	0.783	S	S	*	*			trans	-63.2	142.1	178.4	-80.5	167.6	145.7	0	0	111.6
157	N	27.7	Very low	28.5	Very low	131 Å²	131	156.1 Å²	156.1	70%	0.701	79%	0.791	S	S	*	*			trans	-47.6	138.6	179.6	-65.6	-48.9	0	0	0	114.1	F159	N157-F159 HydrophobicContact CB-CD2 4.17Å; N157-F159 HydrophobicContact CB-CE2 4.36Å
158	Y	30.4	Very low	28.7	Very low	239 Å²	239	156.8 Å²	156.8	94%	0.937	79%	0.793	S	S	*	*			trans	-128.5	112.1	139.9	-106.6	-92.5	0	0	0	109
159	F	27.5	Very low	28.7	Very low	167 Å²	167	155.7 Å²	155.7	73%	0.732	80%	0.797	S	S	*	*			trans	-67.9	144.6	178.3	-92	-106.8	0	0	0	112	N157	N157-F159 HydrophobicContact CB-CD2 4.17Å; N157-F159 HydrophobicContact CB-CE2 4.36Å
160	D	29.2	Very low	28.9	Very low	158 Å²	158	156.4 Å²	156.4	85%	0.845	80%	0.8	S	S	*	*			trans	-132.8	116.7	142	-158.4	-11.2	0	0	0	108.3
161	P	29.1	Very low	29	Very low	88 Å²	88	152.3 Å²	152.3	57%	0.571	80%	0.796	S	S	*	*			trans	-94.8	110.4	-171.2	33.4	-27.9	0	0	0	111.3
162	N	30.3	Very low	29	Very low	156 Å²	156	154.7 Å²	154.7	83%	0.834	81%	0.805	S	S	*	*			trans	177.4	91	148	-96.6	-37.5	0	0	0	109.9
163	H	32.7	Very low	29	Very low	193 Å²	193	153.2 Å²	153.2	89%	0.894	79%	0.794	S	S	*	*			trans	-174.4	104	141.3	-100.3	-60.1	0	0	0	110
164	N	27.1	Very low	29.1	Very low	132 Å²	132	148.1 Å²	148.1	71%	0.706	78%	0.781	S	S	*	*			trans	-71.1	136.1	164.7	-167.4	5.4	0	0	0	108.2	C166	N164-C166 PolarHBondContact OD1-N 2.88Å
165	P	30.6	Very low	29.2	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	78%	0.775	S	S	*	*				-141.1	116.1	107.1	32.4	-15.7	0	0	0	113.3
166	C	29	Very low	29.2	Very low	91 Å²	91	150 Å²	150	62%	0.615	78%	0.775	S	S	*	*			trans	44.4	100.6	132	-71.8	0	0	0	0	117.5	N164	N164-C166 PolarHBondContact OD1-N 2.88Å
167	S	26.3	Very low	29.1	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	77%	0.773	S	S	*	*				56.2	93.7	121.5	58	0	0	0	0	118
168	I	31.7	Very low	29.1	Very low	171 Å²	171	149.5 Å²	149.5	88%	0.877	78%	0.782	S	S	*	*			trans	-133.5	104.9	137.3	-59.6	179.8	0	0	0	106.3
169	T	27.7	Very low	28.9	Very low	130 Å²	130	143.7 Å²	143.7	80%	0.798	78%	0.776	S	S	*	*			trans	-89.3	126.2	164.2	22.1	0	0	0	0	106.3
170	E	32.9	Very low	29	Very low	200 Å²	200	140.4 Å²	140.4	94%	0.935	77%	0.774	S	S	*	*			trans	-153.1	130	146.4	-112.9	172.5	-153.4	0	0	109.9
171	D	27.9	Very low	28.9	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	78%	0.777	S	S	*	*			trans	-84.7	133.6	-164.2	-141.3	-16.9	0	0	0	109.9
172	M	30.2	Very low	28.7	Very low	193 Å²	193	143.4 Å²	143.4	95%	0.951	78%	0.783	S	S	*	*			trans	-154.5	87.9	153	-99.8	-121.7	160.3	0	0	110.2
173	S	26.9	Very low	28.6	Very low	88 Å²	88	141.8 Å²	141.8	62%	0.615	78%	0.781	S	S	*	*			trans	-60.1	145.9	162.4	51.3	0	0	0	0	113.1
174	S	28.7	Very low	28.2	Very low	77 Å²	77	139.1 Å²	139.1	54%	0.538	78%	0.778	S	S	.	*			trans	73	132	154.2	68.4	0	0	0	0	116.4
175	Y	28.6	Very low	28.2	Very low	198 Å²	198	141.4 Å²	141.4	78%	0.776	78%	0.782	S	S	*	*			cis	-158.4	145.3	42.8	-71.9	-89.1	0	0	0	113.1
176	K	30.3	Very low	27.9	Very low	187 Å²	187	141.5 Å²	141.5	81%	0.813	78%	0.784	S	S	*	*			trans	55.2	106.1	135.9	-69.3	179.5	174.2	178.8	0	120.5
177	T	25.7	Very low	27.8	Very low	135 Å²	135	143.4 Å²	143.4	83%	0.828	79%	0.788	S	S	*	*			trans	-41.1	123.9	146.5	-19.6	0	0	0	0	112.6
178	L	29.3	Very low	27.8	Very low	169 Å²	169	143.1 Å²	143.1	89%	0.885	79%	0.792	S	S	*	*			trans	-133.6	104	154.7	-139.7	90.3	0	0	0	107.7
179	S	24.6	Very low	27.5	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	79%	0.785	S	S	*	*			trans	-70.9	124	167.7	-75.8	0	0	0	0	109.2
180	S	29.4	Very low	27.4	Very low	98 Å²	98	140.7 Å²	140.7	69%	0.685	79%	0.785	S	S	*	*			trans	-149.7	100.9	161	164.6	0	0	0	0	106.2	T182	S180-T182 PolarHBondContact O-N 2.82Å
181	E	27.3	Very low	27	Very low	194 Å²	194	139.3 Å²	139.3	91%	0.907	78%	0.779	S	S	*	*			trans	-56.5	129.5	173.9	-68.6	170.5	142.9	0	0	110.5
182	T	26	Very low	26.9	Very low	115 Å²	115	140.7 Å²	140.7	71%	0.706	77%	0.774	S	S	*	*			trans	-148.2	123.1	151.7	-13.6	0	0	0	0	106.3	S180 V184	S180-T182 PolarHBondContact O-N 2.82Å; T182-V184 PolarHBondContact O-N 3.18Å
183	P	27.1	Very low	26.8	Very low	122 Å²	122	135.2 Å²	135.2	79%	0.792	75%	0.748	S	S	*	*			trans	-68.3	112	-178.2	26.7	-30.3	0	0	0	107.9	K185	P183-K185 VanDerWaalsContact C-N 3.34Å; P183-K185 PolarHBondContact O-N 3.42Å
184	V	25.1	Very low	26.9	Very low	138 Å²	138	135.8 Å²	135.8	84%	0.836	75%	0.75	S	S	*	*			trans	-67.8	97.2	172.1	-180	0	0	0	0	107.1	T182 C186	T182-V184 PolarHBondContact O-N 3.18Å; V184-C186 PolarHBondContact O-N 3.34Å; V184-C186 VanDerWaalsContact O-N 3.15Å
185	K	26.4	Very low	26.9	Very low	180 Å²	180	136.7 Å²	136.7	78%	0.783	76%	0.756	S	S	*	*			trans	-57.3	113.1	158.2	-91.4	-177	170.6	-174.8	0	106.7	P183 D187	P183-K185 VanDerWaalsContact C-N 3.34Å; P183-K185 PolarHBondContact O-N 3.42Å; K185-D187 PolarHBondContact O-N 3.48Å
186	C	25.4	Very low	27	Very low	121 Å²	121	129.2 Å²	129.2	82%	0.818	73%	0.73	S	S	*	*			trans	-74	87.9	166.5	-159.8	0	0	0	0	106.4	V184 A188	V184-C186 PolarHBondContact O-N 3.34Å; V184-C186 VanDerWaalsContact O-N 3.15Å; C186-A188 PolarHBondContact O-N 3.44Å; C186-A188 VanDerWaalsContact O-N 3.08Å
187	D	25.6	Very low	26.9	Very low	130 Å²	130	129.4 Å²	129.4	70%	0.695	73%	0.726	S	S	*	*			trans	-64.8	106.8	166.4	-88.1	-28.6	0	0	0	106.9	K185 D189	K185-D187 PolarHBondContact O-N 3.48Å; D187-D189 PolarHBondContact O-N 2.79Å; D187-D189 VanDerWaalsContact O-N 3.14Å
188	A	27.5	Very low	27.1	Very low	98 Å²	98	127.6 Å²	127.6	81%	0.81	72%	0.719	S	S	*	*			trans	-72.5	8.3	176.1	0	0	0	0	0	112.7	C186	C186-A188 PolarHBondContact O-N 3.44Å; C186-A188 VanDerWaalsContact O-N 3.08Å
189	D	24.2	Very low	27.3	Very low	136 Å²	136	124.4 Å²	124.4	73%	0.727	70%	0.702	S	S	*	*	S	Bend	trans	-100.9	116.1	-179.2	-72	-34.6	0	0	0	111.5	D187	D187-D189 PolarHBondContact O-N 2.79Å; D187-D189 VanDerWaalsContact O-N 3.14Å
190	S	25.3	Very low	27.8	Very low	114 Å²	114	121.8 Å²	121.8	80%	0.797	68%	0.679	S	S	*	*			trans	75.4	77.2	162.6	82.2	0	0	0	0	117.9
191	Q	25.4	Very low	27.9	Very low	171 Å²	171	122.1 Å²	122.1	80%	0.799	67%	0.673	S	S	*	*			trans	-120.4	93.2	136.7	-76	-173.3	6	0	0	108	I193	Q191-I193 PolarHBondContact O-N 3.45Å
192	Y	26	Very low	28.3	Very low	175 Å²	175	120.8 Å²	120.8	69%	0.686	66%	0.664	S	S	*	*			trans	-53.9	108	162.6	178.5	-100.9	0	0	0	107.5	P194	Y192-P194 HydrophobicContact CD1-CB 4.12Å; Y192-P194 HydrophobicContact CD1-CG 3.68Å; Y192-P194 HydrophobicContact CE1-CB 3.59Å; Y192-P194 HydrophobicContact CE1-CG 3.62Å; Y192-P194 VanDerWaalsContact O-CD 3.3Å; Y192-P194 WeakPolarHBondContact O-CD 3.19Å
193	I	28.8	Very low	28.5	Very low	78 Å²	78	121.9 Å²	121.9	40%	0.4	67%	0.666	S	S	.	*			trans	-91.4	104.5	169.9	-54.2	177.8	0	0	0	105.8	Q191 S195 V196	Q191-I193 PolarHBondContact O-N 3.45Å; I193-S195 PolarHBondContact O-N 3.4Å; I193-V196 HydrophobicContact CB-CG2 4.14Å; I193-V196 HydrophobicContact CG2-CB 4.42Å; I193-V196 HydrophobicContact CG2-CG2 3.55Å
194	P	28	Very low	28.7	Very low	100 Å²	100	122 Å²	122	65%	0.649	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-2.8	-168.1	-17.6	29.6	0	0	0	115.6	Y192	Y192-P194 HydrophobicContact CD1-CB 4.12Å; Y192-P194 HydrophobicContact CD1-CG 3.68Å; Y192-P194 HydrophobicContact CE1-CB 3.59Å; Y192-P194 HydrophobicContact CE1-CG 3.62Å; Y192-P194 VanDerWaalsContact O-CD 3.3Å; Y192-P194 WeakPolarHBondContact O-CD 3.19Å
195	S	28.9	Very low	28.8	Very low	95 Å²	95	122.2 Å²	122.2	66%	0.664	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	-2.8	-170.4	-162.9	0	0	0	0	115.5	I193	I193-S195 PolarHBondContact O-N 3.4Å
196	V	30.9	Very low	29	Very low	41 Å²	41	117.1 Å²	117.1	25%	0.248	65%	0.653	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	-22.4	-177.2	178.2	0	0	0	0	112.3	I193 S198 L199 S300	I193-V196 HydrophobicContact CB-CG2 4.14Å; I193-V196 HydrophobicContact CG2-CB 4.42Å; I193-V196 HydrophobicContact CG2-CG2 3.55Å; V196-S198 PolarHBondContact O-N 2.97Å; V196-L199 PolarHBondContact O-N 2.99Å; V196-S300 WeakPolarHBondContact CG1-OG 3.3Å
197	R	28	Very low	29.3	Very low	192 Å²	192	120.3 Å²	120.3	73%	0.725	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-16.8	178.2	-113.7	179.5	178.7	158.7	0.6	113.8	N201	R197-N201 WeakPolarHBondContact O-CB 3.16Å; R197-N201 VanDerWaalsContact O-CG 3.27Å; R197-N201 PolarHBondContact O-OD1 3.48Å
198	S	29.1	Very low	30	Very low	97 Å²	97	118.7 Å²	118.7	68%	0.678	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-7.1	-179.2	-72.8	0	0	0	0	115.5	V196	V196-S198 PolarHBondContact O-N 2.97Å
199	L	34.6	Very low	30.7	Very low	102 Å²	102	120 Å²	120	53%	0.534	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-24	-176.5	-86.6	161.9	0	0	0	113.6	V196	V196-L199 PolarHBondContact O-N 2.99Å
200	L	35.9	Very low	31.6	Very low	61 Å²	61	117.6 Å²	117.6	32%	0.319	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-146.5	61.2	175.4	-71.7	170.6	0	0	0	110	F202 L219 W301	L200-F202 VanDerWaalsContact C-N 3.32Å; L200-F202 HydrophobicContact CD2-CE2 4.13Å; L200-F202 PolarHBondContact O-N 3.27Å; L200-F202 VanDerWaalsContact O-N 3.16Å; L200-L219 HydrophobicContact CD1-CD2 4.04Å; L200-L219 HydrophobicContact CD2-CD2 3.89Å; L200-W301 HydrophobicContact CD1-CZ3 4.2Å
201	N	30.4	Very low	32.7	Very low	104 Å²	104	114.4 Å²	114.4	56%	0.556	61%	0.608	S	S	*	*			trans	-88.1	69.8	178.8	-134.8	10.9	0	0	0	110	R197 N203	R197-N201 WeakPolarHBondContact O-CB 3.16Å; R197-N201 VanDerWaalsContact O-CG 3.27Å; R197-N201 PolarHBondContact O-OD1 3.48Å; N201-N203 PolarHBondContact O-N 3.43Å
202	F	35.8	Very low	33.9	Very low	166 Å²	166	112.6 Å²	112.6	73%	0.728	60%	0.598	S	S	*	*			trans	-86.6	82.4	170.5	-74.8	-79	0	0	0	109.4	L200 V204	L200-F202 VanDerWaalsContact C-N 3.32Å; L200-F202 HydrophobicContact CD2-CE2 4.13Å; L200-F202 PolarHBondContact O-N 3.27Å; L200-F202 VanDerWaalsContact O-N 3.16Å; F202-V204 PolarHBondContact O-N 3.08Å
203	N	31.2	Very low	35.2	Very low	139 Å²	139	107.5 Å²	107.5	74%	0.743	59%	0.588	S	S	*	*			trans	-65	102.9	164.7	-93.7	-12.4	0	0	0	109.3	N201	N201-N203 PolarHBondContact O-N 3.43Å
204	V	30.2	Very low	36.3	Very low	124 Å²	124	105.7 Å²	105.7	75%	0.752	59%	0.585	S	S	*	*			trans	22.2	110.5	137.5	-173.6	0	0	0	0	116	F202	F202-V204 PolarHBondContact O-N 3.08Å
205	T	26.7	Very low	37.6	Very low	143 Å²	143	103.1 Å²	103.1	88%	0.877	57%	0.567	S	S	*	*				-176.5	77.1	128.1	18.1	0	0	0	0	110.9
206	S	31	Very low	39	Very low	72 Å²	72	101.6 Å²	101.6	50%	0.503	55%	0.548	S	S	.	.			trans	-150.3	114.8	153.7	69.6	0	0	0	0	110	N208	S206-N208 PolarHBondContact O-N 3.35Å
207	E	32.5	Very low	40.1	Very low	188 Å²	188	101.1 Å²	101.1	88%	0.879	55%	0.547	S	S	*	.			trans	-71.3	27.1	-175.6	-70.5	-179.4	138.6	0	0	114.8
208	N	39	Very low	41.5	Very low	96 Å²	96	92.9 Å²	92.9	51%	0.513	52%	0.517	S	S	.	.			trans	-96.7	101.3	175	-78.2	-9.7	0	0	0	110	S206 S210 N211 K212	S206-N208 PolarHBondContact O-N 3.35Å; N208-S210 PolarHBondContact O-N 3.25Å; N208-S210 VanDerWaalsContact O-N 3.08Å; N208-N211 HydrophobicContact CB-CB 4.35Å; N208-N211 PolarHBondContact O-N 3.29Å; N208-K212 PolarHBondContact O-N 3.26Å
209	N	42.9	Very low	43	Very low	127 Å²	127	89.6 Å²	89.6	68%	0.679	49%	0.492	S	S	*	.	H	α-helix	trans	-57.1	-21.8	176.2	-69.1	-29.8	0	0	0	113.2
210	S	43.2	Very low	44.3	Very low	84 Å²	84	86.2 Å²	86.2	59%	0.587	47%	0.472	S	S	*	.	H	α-helix	trans	-67.9	-37.7	172.3	56.1	0	0	0	0	113.1	N208	N208-S210 PolarHBondContact O-N 3.25Å; N208-S210 VanDerWaalsContact O-N 3.08Å
211	N	47.9	Very low	45.5	Very low	47 Å²	47	86 Å²	86	25%	0.251	47%	0.467	S	S	.	.	H	α-helix	trans	-75.5	-34.7	-175.4	-69.5	23.7	0	0	0	110.6	N208 S213 A214 T215 E263	N208-N211 HydrophobicContact CB-CB 4.35Å; N208-N211 PolarHBondContact O-N 3.29Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 2.75Å; N211-A214 PolarHBondContact O-N 3.41Å; N211-T215 WeakPolarHBondContact O-CB 3.27Å; N211-T215 PolarHBondContact O-N 2.78Å; N211-T215 PolarHBondContact O-OG1 2.78Å; N211-E263 PolarHBondContact ND2-OE1 2.87Å
212	K	50.8	Low	47	Very low	134 Å²	134	83.1 Å²	83.1	58%	0.583	45%	0.451	S	S	*	.	H	α-helix	trans	-55.5	-42.9	176.5	-69.8	-176.9	178.5	175.7	0	113.1	N208 K216	N208-K212 PolarHBondContact O-N 3.26Å; K212-K216 VanDerWaalsContact O-CB 3.22Å; K212-K216 WeakPolarHBondContact O-CB 3.08Å; K212-K216 PolarHBondContact O-N 2.68Å
213	S	53.1	Low	48.2	Very low	67 Å²	67	75.2 Å²	75.2	47%	0.469	42%	0.417	S	S	.	.	H	α-helix	trans	-67.4	-44.2	178.2	-173.5	0	0	0	0	112	N211 K216 S217	N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 2.75Å; S213-K216 PolarHBondContact O-N 3.39Å; S213-S217 WeakPolarHBondContact O-CB 3.38Å; S213-S217 PolarHBondContact O-N 2.82Å
214	A	51.5	Low	49.7	Very low	41 Å²	41	71.4 Å²	71.4	34%	0.339	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-46.8	178.4	0	0	0	0	0	111.8	N211 K216 S217 I218 I259	N211-A214 PolarHBondContact O-N 3.41Å; A214-K216 PolarHBondContact O-N 3.23Å; A214-S217 PolarHBondContact O-N 3.26Å; A214-I218 PolarHBondContact O-N 3.3Å; A214-I218 VanDerWaalsContact O-N 3.09Å; A214-I259 HydrophobicContact CB-CD1 4.38Å
215	T	56	Low	51.2	Low	46 Å²	46	66.4 Å²	66.4	28%	0.282	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-45.4	175	-50.4	0	0	0	0	110.8	N211 S217 I218 L219	N211-T215 WeakPolarHBondContact O-CB 3.27Å; N211-T215 PolarHBondContact O-N 2.78Å; N211-T215 PolarHBondContact O-OG1 2.78Å; T215-S217 PolarHBondContact O-N 3.5Å; T215-I218 PolarHBondContact O-N 3.25Å; T215-L219 HydrophobicContact CG2-CD1 3.93Å; T215-L219 HydrophobicContact CG2-CG 4.22Å; T215-L219 WeakPolarHBondContact O-CB 3.45Å; T215-L219 VanDerWaalsContact O-CG 3.27Å; T215-L219 WeakPolarHBondContact O-CG 3.46Å; T215-L219 PolarHBondContact O-N 2.83Å
216	K	57.8	Low	52.9	Low	62 Å²	62	63.1 Å²	63.1	27%	0.27	34%	0.34	S	S	.	.	H	α-helix	trans	-59.4	-46.5	176.5	177.3	169.8	162.7	159.9	0	112	K212 S213 A214 I218 L219 R220 L308 D311	K212-K216 VanDerWaalsContact O-CB 3.22Å; K212-K216 WeakPolarHBondContact O-CB 3.08Å; K212-K216 PolarHBondContact O-N 2.68Å; S213-K216 PolarHBondContact O-N 3.39Å; A214-K216 PolarHBondContact O-N 3.23Å; K216-I218 VanDerWaalsContact C-N 3.25Å; K216-I218 PolarHBondContact O-N 3.02Å; K216-L219 PolarHBondContact O-N 3.11Å; K216-R220 WeakPolarHBondContact O-CB 3.44Å; K216-R220 PolarHBondContact O-N 2.86Å; K216-L308 WeakPolarHBondContact CE-O 3.44Å; K216-L308 PolarHBondContact NZ-O 2.78Å; K216-D311 PolarHBondContact NZ-OXT 3.14Å
217	S	55.3	Low	54.3	Low	31 Å²	31	60.5 Å²	60.5	22%	0.217	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-36.3	176.7	179.4	0	0	0	0	112.5	S213 A214 T215 R221	S213-S217 WeakPolarHBondContact O-CB 3.38Å; S213-S217 PolarHBondContact O-N 2.82Å; A214-S217 PolarHBondContact O-N 3.26Å; T215-S217 PolarHBondContact O-N 3.5Å; S217-R221 WeakPolarHBondContact O-CG 3.34Å; S217-R221 PolarHBondContact O-N 3.26Å; S217-R221 PolarHBondContact O-NE 3.36Å; S217-R221 PolarHBondContact OG-NE 3.37Å; S217-R221 PolarHBondContact OG-NH2 3.48Å
218	I	55.7	Low	55.6	Low	19 Å²	19	52.8 Å²	52.8	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-80.8	-41.5	-179.5	-77.8	159.1	0	0	0	112.6	A214 T215 K216 R220 R221 L222 D255 I259	A214-I218 PolarHBondContact O-N 3.3Å; A214-I218 VanDerWaalsContact O-N 3.09Å; T215-I218 PolarHBondContact O-N 3.25Å; K216-I218 VanDerWaalsContact C-N 3.25Å; K216-I218 PolarHBondContact O-N 3.02Å; I218-R220 PolarHBondContact O-N 2.93Å; I218-R221 WeakPolarHBondContact O-CB 3.37Å; I218-R221 PolarHBondContact O-N 3.42Å; I218-R221 VanDerWaalsContact O-N 3.11Å; I218-L222 HydrophobicContact CG2-CD1 4.18Å; I218-L222 HydrophobicContact CG2-CG 4.47Å; I218-L222 WeakPolarHBondContact O-CG 3.38Å; I218-L222 PolarHBondContact O-N 2.85Å; I218-D255 HydrophobicContact CD1-CB 4.18Å; I218-D255 HydrophobicContact CG1-CB 4.18Å; I218-I259 HydrophobicContact CD1-CD1 2.9Å; I218-I259 HydrophobicContact CD1-CG1 4.25Å; I218-I259 HydrophobicContact CG1-CD1 4.34Å
219	L	61.6	Low	56.6	Low	28 Å²	28	49.5 Å²	49.5	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-39.1	171.8	-68.7	176.7	0	0	0	110.5	L200 T215 K216 L222 C223 L308	L200-L219 HydrophobicContact CD1-CD2 4.04Å; L200-L219 HydrophobicContact CD2-CD2 3.89Å; T215-L219 HydrophobicContact CG2-CD1 3.93Å; T215-L219 HydrophobicContact CG2-CG 4.22Å; T215-L219 WeakPolarHBondContact O-CB 3.45Å; T215-L219 VanDerWaalsContact O-CG 3.27Å; T215-L219 WeakPolarHBondContact O-CG 3.46Å; T215-L219 PolarHBondContact O-N 2.83Å; K216-L219 PolarHBondContact O-N 3.11Å; L219-L222 HydrophobicContact CD2-CD1 4.46Å; L219-L222 PolarHBondContact O-N 3.34Å; L219-C223 WeakPolarHBondContact O-CB 3.44Å; L219-C223 PolarHBondContact O-N 2.89Å; L219-C223 PolarHBondContact O-SG 3Å; L219-L308 HydrophobicContact CB-CD1 3.54Å; L219-L308 HydrophobicContact CB-CD2 3.83Å; L219-L308 HydrophobicContact CB-CG 4.35Å; L219-L308 HydrophobicContact CD1-CD2 3.8Å; L219-L308 HydrophobicContact CG-CD2 4.49Å
220	R	62	Low	57.3	Low	32 Å²	32	43.5 Å²	43.5	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-47.7	173	-169.9	174.5	-165.9	-104.9	-3.9	111.7	H30 K216 I218 L222 C223 M224 L305 D309	H30-R220 PolarHBondContact CE1-NH1 3.29Å; H30-R220 PolarHBondContact CE1-NH2 3.45Å; H30-R220 PolarHBondContact NE2-NE 3.32Å; H30-R220 PolarHBondContact NE2-NH1 3.42Å; K216-R220 WeakPolarHBondContact O-CB 3.44Å; K216-R220 PolarHBondContact O-N 2.86Å; I218-R220 PolarHBondContact O-N 2.93Å; R220-L222 PolarHBondContact O-N 2.91Å; R220-C223 PolarHBondContact O-N 3.03Å; R220-M224 WeakPolarHBondContact O-CB 3.31Å; R220-M224 VanDerWaalsContact O-CG 3.3Å; R220-M224 WeakPolarHBondContact O-CG 3.48Å; R220-M224 PolarHBondContact O-N 3.23Å; R220-L305 HydrophobicContact CB-CD1 4.38Å; R220-L305 HydrophobicContact CG-CD1 3.62Å; R220-D309 IonicContact CZ-OD1 2.64Å; R220-D309 IonicContact NE-OD1 3.07Å; R220-D309 PolarHBondContact NE-OD1 2.98Å; R220-D309 IonicContact NH2-OD1 3.85Å
221	R	60.4	Low	57.9	Low	55 Å²	55	43.2 Å²	43.2	21%	0.208	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-42.2	174.6	-79.8	178.7	-102.7	-171.3	-9.5	112.4	S217 I218 M224 T225 D255	S217-R221 WeakPolarHBondContact O-CG 3.34Å; S217-R221 PolarHBondContact O-N 3.26Å; S217-R221 PolarHBondContact O-NE 3.36Å; S217-R221 PolarHBondContact OG-NE 3.37Å; S217-R221 PolarHBondContact OG-NH2 3.48Å; I218-R221 WeakPolarHBondContact O-CB 3.37Å; I218-R221 PolarHBondContact O-N 3.42Å; I218-R221 VanDerWaalsContact O-N 3.11Å; R221-M224 PolarHBondContact O-N 2.91Å; R221-T225 WeakPolarHBondContact O-CB 3.45Å; R221-T225 PolarHBondContact O-N 3.11Å; R221-T225 PolarHBondContact O-OG1 3.17Å; R221-D255 IonicContact CZ-OD2 3.92Å; R221-D255 IonicContact NE-OD2 3.47Å; R221-D255 IonicContact NH1-OD1 3.05Å; R221-D255 PolarHBondContact NH1-OD1 2.9Å; R221-D255 VanDerWaalsContact NH1-OD1 3.07Å; R221-D255 IonicContact NH1-OD2 3.92Å; R221-D255 PolarHBondContact NH1-OD2 2.95Å
222	L	62.7	Low	58.2	Low	45 Å²	45	42.6 Å²	42.6	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-47.1	176.7	-70.6	171.6	0	0	0	111.4	I218 L219 R220 M224 T225 E226 C252 L256	I218-L222 HydrophobicContact CG2-CD1 4.18Å; I218-L222 HydrophobicContact CG2-CG 4.47Å; I218-L222 WeakPolarHBondContact O-CG 3.38Å; I218-L222 PolarHBondContact O-N 2.85Å; L219-L222 HydrophobicContact CD2-CD1 4.46Å; L219-L222 PolarHBondContact O-N 3.34Å; R220-L222 PolarHBondContact O-N 2.91Å; L222-M224 PolarHBondContact O-N 3.46Å; L222-T225 WeakPolarHBondContact O-CB 3.15Å; L222-T225 PolarHBondContact O-N 2.78Å; L222-T225 VanDerWaalsContact O-N 3.13Å; L222-E226 PolarHBondContact O-N 2.98Å; L222-C252 HydrophobicContact CD2-CB 4.17Å; L222-L256 HydrophobicContact CD1-CD1 4.16Å
223	C	61.6	Low	58.4	Low	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-46.4	176.5	-67.8	0	0	0	0	111.5	L219 R220 T225 E226 I227 W301 L305	L219-C223 WeakPolarHBondContact O-CB 3.44Å; L219-C223 PolarHBondContact O-N 2.89Å; L219-C223 PolarHBondContact O-SG 3Å; R220-C223 PolarHBondContact O-N 3.03Å; C223-T225 VanDerWaalsContact C-N 3.27Å; C223-T225 PolarHBondContact O-N 3.24Å; C223-E226 PolarHBondContact O-N 3.18Å; C223-I227 WeakPolarHBondContact O-CB 3.3Å; C223-I227 WeakPolarHBondContact O-CD1 3.5Å; C223-I227 VanDerWaalsContact O-CG1 3.24Å; C223-I227 WeakPolarHBondContact O-CG1 3.42Å; C223-I227 PolarHBondContact O-N 3.04Å; C223-W301 HydrophobicContact CB-CE3 4.06Å; C223-L305 HydrophobicContact CB-CB 4Å; C223-L305 HydrophobicContact CB-CD1 3.97Å
224	M	62	Low	58.3	Low	59 Å²	59	44.2 Å²	44.2	29%	0.291	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-36	176.7	-73.5	-64.1	-68.3	0	0	112.5	F8 R220 R221 L222 S228 L305	F8-M224 HydrophobicContact CE2-CE 4.48Å; F8-M224 HydrophobicContact CZ-CE 4.35Å; R220-M224 WeakPolarHBondContact O-CB 3.31Å; R220-M224 VanDerWaalsContact O-CG 3.3Å; R220-M224 WeakPolarHBondContact O-CG 3.48Å; R220-M224 PolarHBondContact O-N 3.23Å; R221-M224 PolarHBondContact O-N 2.91Å; L222-M224 PolarHBondContact O-N 3.46Å; M224-S228 VanDerWaalsContact O-CB 3.28Å; M224-S228 WeakPolarHBondContact O-CB 3.48Å; M224-S228 PolarHBondContact O-N 2.92Å; M224-S228 PolarHBondContact O-OG 3.24Å; M224-L305 HydrophobicContact CG-CD1 4.21Å; M224-L305 HydrophobicContact CG-CD2 4.37Å; M224-L305 HydrophobicContact SD-CD1 4.4Å; M224-L305 HydrophobicContact SD-CD2 3.55Å; M224-L305 VanDerWaalsContact SD-CD2 3.55Å
225	T	60.6	Low	58.3	Low	19 Å²	19	47.4 Å²	47.4	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-46.6	177	-60.3	0	0	0	0	111.6	R221 L222 C223 S228 S229 L248 C252	R221-T225 WeakPolarHBondContact O-CB 3.45Å; R221-T225 PolarHBondContact O-N 3.11Å; R221-T225 PolarHBondContact O-OG1 3.17Å; L222-T225 WeakPolarHBondContact O-CB 3.15Å; L222-T225 PolarHBondContact O-N 2.78Å; L222-T225 VanDerWaalsContact O-N 3.13Å; C223-T225 VanDerWaalsContact C-N 3.27Å; C223-T225 PolarHBondContact O-N 3.24Å; T225-S228 PolarHBondContact O-N 3.36Å; T225-S229 WeakPolarHBondContact O-CB 3.48Å; T225-S229 PolarHBondContact O-N 3.47Å; T225-L248 HydrophobicContact CG2-CD2 3.79Å; T225-L248 HydrophobicContact CG2-CG 4.02Å; T225-L248 WeakPolarHBondContact OG1-CD2 2.84Å; T225-L248 VanDerWaalsContact OG1-CG 3.31Å; T225-L248 WeakPolarHBondContact OG1-CG 3.46Å; T225-C252 PolarHBondContact OG1-SG 3.47Å
226	E	62.9	Low	57.7	Low	74 Å²	74	47.9 Å²	47.9	35%	0.346	26%	0.261	S	S	.	.	H	α-helix	trans	-69.9	-42.1	179.5	-68.3	-65.6	156.7	0	0	111.6	L222 C223 S228 S229 L230 W301	L222-E226 PolarHBondContact O-N 2.98Å; C223-E226 PolarHBondContact O-N 3.18Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 3.22Å; E226-S229 WeakPolarHBondContact O-CB 3.48Å; E226-S229 PolarHBondContact O-N 2.65Å; E226-L230 WeakPolarHBondContact O-CB 3.33Å; E226-L230 WeakPolarHBondContact O-CD1 3.25Å; E226-L230 WeakPolarHBondContact O-CG 3.32Å; E226-L230 PolarHBondContact O-N 3.3Å; E226-W301 HydrophobicContact CB-CD2 3.58Å; E226-W301 VanDerWaalsContact CB-CE2 3.45Å; E226-W301 HydrophobicContact CB-CE3 4.22Å; E226-W301 HydrophobicContact CB-CG 3.76Å; E226-W301 HydrophobicContact CB-CZ2 4Å; E226-W301 HydrophobicContact CG-CD2 4.09Å; E226-W301 HydrophobicContact CG-CE3 4.5Å; E226-W301 HydrophobicContact CG-CH2 4.01Å; E226-W301 HydrophobicContact CG-CZ2 3.55Å; E226-W301 HydrophobicContact CG-CZ3 4.46Å
227	I	60.9	Low	57.2	Low	17 Å²	17	49.7 Å²	49.7	9%	0.087	27%	0.274	C	S	.	.	H	α-helix	trans	-55.6	-47.7	171.5	-70.8	165.1	0	0	0	110.4	C223 S229 L230 L231 L298 W301 V302 L305	C223-I227 WeakPolarHBondContact O-CB 3.3Å; C223-I227 WeakPolarHBondContact O-CD1 3.5Å; C223-I227 VanDerWaalsContact O-CG1 3.24Å; C223-I227 WeakPolarHBondContact O-CG1 3.42Å; C223-I227 PolarHBondContact O-N 3.04Å; I227-S229 PolarHBondContact O-N 3.48Å; I227-L230 PolarHBondContact O-N 3.03Å; I227-L231 HydrophobicContact CG2-CD1 3.69Å; I227-L231 HydrophobicContact CG2-CG 4.24Å; I227-L231 WeakPolarHBondContact O-CB 3.12Å; I227-L231 VanDerWaalsContact O-CG 3.26Å; I227-L231 WeakPolarHBondContact O-CG 3.3Å; I227-L231 PolarHBondContact O-N 3.11Å; I227-L298 HydrophobicContact CB-CD1 4.28Å; I227-L298 HydrophobicContact CG1-CD1 4.3Å; I227-L298 HydrophobicContact CG2-CD1 3.97Å; I227-W301 HydrophobicContact CD1-CB 4.32Å; I227-W301 HydrophobicContact CG1-CB 3.7Å; I227-V302 HydrophobicContact CD1-CG2 3.85Å; I227-V302 HydrophobicContact CG1-CG2 4.08Å; I227-L305 HydrophobicContact CD1-CB 4.28Å; I227-L305 HydrophobicContact CD1-CD2 3.74Å
228	S	59.8	Low	56.6	Low	26 Å²	26	55.1 Å²	55.1	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-44.4	179	-59.3	0	0	0	0	111.5	M224 T225 E226 L230 L231 T232 Y245	M224-S228 VanDerWaalsContact O-CB 3.28Å; M224-S228 WeakPolarHBondContact O-CB 3.48Å; M224-S228 PolarHBondContact O-N 2.92Å; M224-S228 PolarHBondContact O-OG 3.24Å; T225-S228 PolarHBondContact O-N 3.36Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 3.22Å; S228-L230 VanDerWaalsContact C-N 3.34Å; S228-L230 PolarHBondContact O-N 3.4Å; S228-L231 PolarHBondContact O-N 2.86Å; S228-T232 WeakPolarHBondContact O-CB 3.45Å; S228-T232 PolarHBondContact O-N 3.31Å; S228-T232 PolarHBondContact O-OG1 3.35Å; S228-Y245 PolarHBondContact O-OH 3.01Å
229	S	59.6	Low	55.9	Low	26 Å²	26	64.5 Å²	64.5	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-53	-49.1	174.2	-171.9	0	0	0	0	112.1	T225 E226 I227 T232 Q233 Y245	T225-S229 WeakPolarHBondContact O-CB 3.48Å; T225-S229 PolarHBondContact O-N 3.47Å; E226-S229 WeakPolarHBondContact O-CB 3.48Å; E226-S229 PolarHBondContact O-N 2.65Å; I227-S229 PolarHBondContact O-N 3.48Å; S229-T232 WeakPolarHBondContact O-CB 3.06Å; S229-T232 PolarHBondContact O-N 2.88Å; S229-Q233 WeakPolarHBondContact O-CG 3.32Å; S229-Q233 PolarHBondContact O-N 3.12Å; S229-Y245 WeakPolarHBondContact CA-OH 3.48Å; S229-Y245 PolarHBondContact N-OH 2.88Å; S229-Y245 VanDerWaalsContact N-OH 3.17Å
230	L	58.1	Low	55.4	Low	2 Å²	2	71.2 Å²	71.2	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-73	-45.1	-176.4	-62.4	167.6	0	0	0	111.8	E226 I227 S228 T232 Q233 M234 L294 L297 L298	E226-L230 WeakPolarHBondContact O-CB 3.33Å; E226-L230 WeakPolarHBondContact O-CD1 3.25Å; E226-L230 WeakPolarHBondContact O-CG 3.32Å; E226-L230 PolarHBondContact O-N 3.3Å; I227-L230 PolarHBondContact O-N 3.03Å; S228-L230 VanDerWaalsContact C-N 3.34Å; S228-L230 PolarHBondContact O-N 3.4Å; L230-T232 PolarHBondContact O-N 3.32Å; L230-Q233 WeakPolarHBondContact O-CB 3.49Å; L230-Q233 PolarHBondContact O-N 3.39Å; L230-Q233 VanDerWaalsContact O-N 3.11Å; L230-M234 WeakPolarHBondContact O-CG 3.31Å; L230-M234 PolarHBondContact O-N 2.98Å; L230-L294 HydrophobicContact CB-CD1 4.25Å; L230-L294 HydrophobicContact CD2-CD1 3.33Å; L230-L294 HydrophobicContact CD2-CG 4.36Å; L230-L294 HydrophobicContact CG-CD1 4.37Å; L230-L297 HydrophobicContact CD1-CB 4.16Å; L230-L297 HydrophobicContact CD1-CD2 4.14Å; L230-L297 HydrophobicContact CD1-CG 3.79Å; L230-L297 HydrophobicContact CD2-CB 4.42Å; L230-L297 HydrophobicContact CD2-CD2 3.52Å; L230-L297 HydrophobicContact CD2-CG 4.08Å; L230-L297 HydrophobicContact CG-CD2 4.47Å; L230-L298 HydrophobicContact CB-CB 4.39Å; L230-L298 HydrophobicContact CB-CD1 3.94Å; L230-L298 HydrophobicContact CD1-CB 4.17Å; L230-L298 HydrophobicContact CD1-CD1 4.34Å
231	L	55.6	Low	54.6	Low	78 Å²	78	71 Å²	71	41%	0.408	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-37	173.8	-71.4	174.9	0	0	0	111.5	I227 S228 M234 V235 L298	I227-L231 HydrophobicContact CG2-CD1 3.69Å; I227-L231 HydrophobicContact CG2-CG 4.24Å; I227-L231 WeakPolarHBondContact O-CB 3.12Å; I227-L231 VanDerWaalsContact O-CG 3.26Å; I227-L231 WeakPolarHBondContact O-CG 3.3Å; I227-L231 PolarHBondContact O-N 3.11Å; S228-L231 PolarHBondContact O-N 2.86Å; L231-M234 HydrophobicContact CD2-SD 4.47Å; L231-M234 WeakPolarHBondContact O-CB 3.29Å; L231-M234 PolarHBondContact O-N 3.05Å; L231-V235 VanDerWaalsContact O-CG2 3.3Å; L231-V235 WeakPolarHBondContact O-CG2 3.42Å; L231-V235 PolarHBondContact O-N 3.14Å; L231-L298 HydrophobicContact CD2-CD1 4.22Å; L231-L298 HydrophobicContact CD2-CD2 3.82Å; L231-L298 HydrophobicContact CG-CD1 4.03Å
232	T	53.9	Low	54	Low	33 Å²	33	71.7 Å²	71.7	20%	0.202	38%	0.381	C	S	.	.	H	α-helix	trans	-66.2	-40.9	175.2	-80.4	0	0	0	0	112.9	S228 S229 L230 M234 V235 G236 K241 Y245	S228-T232 WeakPolarHBondContact O-CB 3.45Å; S228-T232 PolarHBondContact O-N 3.31Å; S228-T232 PolarHBondContact O-OG1 3.35Å; S229-T232 WeakPolarHBondContact O-CB 3.06Å; S229-T232 PolarHBondContact O-N 2.88Å; L230-T232 PolarHBondContact O-N 3.32Å; T232-M234 PolarHBondContact O-N 2.98Å; T232-V235 PolarHBondContact O-N 2.73Å; T232-G236 PolarHBondContact O-N 3.09Å; T232-K241 HydrophobicContact CG2-CD 3.27Å; T232-K241 HydrophobicContact CG2-CG 4.1Å; T232-K241 PolarHBondContact O-NZ 2.99Å; T232-Y245 WeakPolarHBondContact CB-OH 3.48Å; T232-Y245 HydrophobicContact CG2-CE2 3.49Å; T232-Y245 VanDerWaalsContact CG2-CE2 3.49Å; T232-Y245 WeakPolarHBondContact CG2-OH 3.43Å; T232-Y245 PolarHBondContact OG1-OH 2.84Å
233	Q	56	Low	53.6	Low	119 Å²	119	74.7 Å²	74.7	56%	0.556	40%	0.397	S	S	*	.	H	α-helix	trans	-61.7	-33.6	172.3	-71.4	172.6	43.9	0	0	110.7	S229 L230 L294	S229-Q233 WeakPolarHBondContact O-CG 3.32Å; S229-Q233 PolarHBondContact O-N 3.12Å; L230-Q233 WeakPolarHBondContact O-CB 3.49Å; L230-Q233 PolarHBondContact O-N 3.39Å; L230-Q233 VanDerWaalsContact O-N 3.11Å; Q233-L294 HydrophobicContact CB-CD1 4.25Å; Q233-L294 HydrophobicContact CB-CD2 4.23Å
234	M	50.5	Low	53	Low	116 Å²	116	77.2 Å²	77.2	57%	0.571	41%	0.408	S	S	*	.	H	α-helix	trans	-70.9	-40.8	175.1	-65.8	-178.8	64.4	0	0	114.1	L230 L231 T232 L294 L298	L230-M234 WeakPolarHBondContact O-CG 3.31Å; L230-M234 PolarHBondContact O-N 2.98Å; L231-M234 HydrophobicContact CD2-SD 4.47Å; L231-M234 WeakPolarHBondContact O-CB 3.29Å; L231-M234 PolarHBondContact O-N 3.05Å; T232-M234 PolarHBondContact O-N 2.98Å; M234-L294 HydrophobicContact CG-CD2 3.35Å; M234-L294 HydrophobicContact CG-CG 4.36Å; M234-L294 HydrophobicContact SD-CD2 4.37Å; M234-L298 HydrophobicContact SD-CD2 4.08Å
235	V	51.4	Low	52.4	Low	109 Å²	109	77 Å²	77	66%	0.661	41%	0.405	S	S	*	.	H	α-helix	trans	-89.6	-6.3	-169.3	179	0	0	0	0	113.2	L231 T232 D237	L231-V235 VanDerWaalsContact O-CG2 3.3Å; L231-V235 WeakPolarHBondContact O-CG2 3.42Å; L231-V235 PolarHBondContact O-N 3.14Å; T232-V235 PolarHBondContact O-N 2.73Å; V235-D237 PolarHBondContact O-N 3.12Å
236	G	43.7	Very low	52.1	Low	56 Å²	56	84.2 Å²	84.2	58%	0.577	43%	0.43	S	S	*	.			trans	70.8	-11	167.3	0	0	0	0	0	117.5	T232 M238	T232-G236 PolarHBondContact O-N 3.09Å; G236-M238 PolarHBondContact O-N 3.03Å
237	D	47.3	Very low	51.6	Low	99 Å²	99	85.4 Å²	85.4	53%	0.529	44%	0.435	S	S	.	.			trans	-82.6	75.7	-170.7	-155.5	-9.5	0	0	0	115.8	V235 Y239 K241	V235-D237 PolarHBondContact O-N 3.12Å; D237-Y239 PolarHBondContact O-N 2.79Å; D237-K241 VanDerWaalsContact C-NZ 3.32Å; D237-K241 WeakPolarHBondContact O-CD 3.38Å; D237-K241 WeakPolarHBondContact O-CE 3.17Å; D237-K241 VanDerWaalsContact O-CG 3.3Å; D237-K241 WeakPolarHBondContact O-CG 3.16Å; D237-K241 PolarHBondContact O-NZ 2.8Å
238	M	42.1	Very low	51.1	Low	145 Å²	145	85.1 Å²	85.1	71%	0.714	43%	0.434	S	S	*	.			trans	-59.2	-18.8	-168.1	-88.3	-163.1	50.4	0	0	118.6	G236	G236-M238 PolarHBondContact O-N 3.03Å
239	Y	42.3	Very low	50.8	Low	216 Å²	216	91.5 Å²	91.5	85%	0.847	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-30.4	-161.6	-87.1	-89.7	0	0	0	116.4	D237 K241	D237-Y239 PolarHBondContact O-N 2.79Å; Y239-K241 PolarHBondContact O-N 3.34Å
240	Q	49.4	Very low	50.3	Low	170 Å²	170	95 Å²	95	79%	0.794	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.4	171	-72.9	-179.3	-5.1	0	0	112.5
241	K	46.1	Very low	50.1	Low	27 Å²	27	97.5 Å²	97.5	12%	0.117	48%	0.484	C	S	.	.	H	α-helix	trans	-79.4	-35.2	-167.2	-75.7	171.9	177.9	168.2	0	115.3	T232 D237 Y239 N243 F244 Y245	T232-K241 HydrophobicContact CG2-CD 3.27Å; T232-K241 HydrophobicContact CG2-CG 4.1Å; T232-K241 PolarHBondContact O-NZ 2.99Å; D237-K241 VanDerWaalsContact C-NZ 3.32Å; D237-K241 WeakPolarHBondContact O-CD 3.38Å; D237-K241 WeakPolarHBondContact O-CE 3.17Å; D237-K241 VanDerWaalsContact O-CG 3.3Å; D237-K241 WeakPolarHBondContact O-CG 3.16Å; D237-K241 PolarHBondContact O-NZ 2.8Å; Y239-K241 PolarHBondContact O-N 3.34Å; K241-N243 VanDerWaalsContact C-N 3.31Å; K241-N243 PolarHBondContact O-N 3.39Å; K241-F244 PolarHBondContact O-N 2.73Å; K241-Y245 HydrophobicContact CB-CD2 3.92Å; K241-Y245 HydrophobicContact CB-CE2 3.95Å; K241-Y245 HydrophobicContact CD-CE2 4.45Å; K241-Y245 HydrophobicContact CG-CE2 4.11Å; K241-Y245 WeakPolarHBondContact O-CD2 3.37Å; K241-Y245 PolarHBondContact O-N 3.41Å
242	A	48.3	Very low	49.8	Very low	69 Å²	69	94.4 Å²	94.4	57%	0.57	47%	0.469	S	S	*	.	H	α-helix	trans	-60.2	-39.5	-169.1	0	0	0	0	0	113.1	R246	A242-R246 WeakPolarHBondContact O-CB 3.36Å; A242-R246 PolarHBondContact O-N 3.24Å
243	N	53	Low	49.5	Very low	108 Å²	108	100.9 Å²	100.9	58%	0.578	49%	0.489	S	S	*	.	H	α-helix	trans	-71.3	-42.1	177.8	-78	-23.2	0	0	0	112.3	K241 R246 Q247	K241-N243 VanDerWaalsContact C-N 3.31Å; K241-N243 PolarHBondContact O-N 3.39Å; N243-R246 PolarHBondContact O-N 2.71Å; N243-Q247 WeakPolarHBondContact O-CB 3.27Å; N243-Q247 VanDerWaalsContact O-CG 3.3Å; N243-Q247 WeakPolarHBondContact O-CG 3.42Å; N243-Q247 PolarHBondContact O-N 3.07Å
244	F	49.7	Very low	49.2	Very low	53 Å²	53	99.7 Å²	99.7	23%	0.232	49%	0.487	C	S	.	.	H	α-helix	trans	-61	-51.1	177	173.4	-100.3	0	0	0	111.7	W21 K241 R246 Q247 L248	W21-F244 HydrophobicContact CH2-CD2 4.25Å; W21-F244 AromaticContact CH2-CE2 3.47Å; W21-F244 HydrophobicContact CH2-CE2 3.47Å; W21-F244 VanDerWaalsContact CH2-CE2 3.47Å; W21-F244 HydrophobicContact CH2-CZ 4.4Å; W21-F244 AromaticContact CZ2-CD2 3.75Å; W21-F244 HydrophobicContact CZ2-CD2 3.75Å; W21-F244 AromaticContact CZ2-CE2 3.42Å; W21-F244 HydrophobicContact CZ2-CE2 3.42Å; W21-F244 VanDerWaalsContact CZ2-CE2 3.42Å; W21-F244 HydrophobicContact CZ3-CE2 4.48Å; K241-F244 PolarHBondContact O-N 2.73Å; F244-R246 VanDerWaalsContact C-N 3.3Å; F244-R246 PolarHBondContact O-N 2.83Å; F244-Q247 PolarHBondContact O-N 3.09Å; F244-L248 HydrophobicContact CE1-CD2 3.95Å; F244-L248 HydrophobicContact CE2-CD2 4.37Å; F244-L248 HydrophobicContact CZ-CD2 3.7Å; F244-L248 VanDerWaalsContact O-CB 3.27Å; F244-L248 WeakPolarHBondContact O-CB 2.87Å; F244-L248 PolarHBondContact O-N 3.3Å
245	Y	49.9	Very low	49.1	Very low	56 Å²	56	95.7 Å²	95.7	22%	0.22	47%	0.468	C	S	.	.	H	α-helix	trans	-60.5	-41	176.1	-82	-72.7	0	0	0	112.4	S228 S229 T232 K241 K249	S228-Y245 PolarHBondContact O-OH 3.01Å; S229-Y245 WeakPolarHBondContact CA-OH 3.48Å; S229-Y245 PolarHBondContact N-OH 2.88Å; S229-Y245 VanDerWaalsContact N-OH 3.17Å; T232-Y245 WeakPolarHBondContact CB-OH 3.48Å; T232-Y245 HydrophobicContact CG2-CE2 3.49Å; T232-Y245 VanDerWaalsContact CG2-CE2 3.49Å; T232-Y245 WeakPolarHBondContact CG2-OH 3.43Å; T232-Y245 PolarHBondContact OG1-OH 2.84Å; K241-Y245 HydrophobicContact CB-CD2 3.92Å; K241-Y245 HydrophobicContact CB-CE2 3.95Å; K241-Y245 HydrophobicContact CD-CE2 4.45Å; K241-Y245 HydrophobicContact CG-CE2 4.11Å; K241-Y245 WeakPolarHBondContact O-CD2 3.37Å; K241-Y245 PolarHBondContact O-N 3.41Å; Y245-K249 WeakPolarHBondContact O-CB 3.23Å; Y245-K249 PolarHBondContact O-N 3.47Å
246	R	54.2	Low	48.8	Very low	170 Å²	170	93.8 Å²	93.8	64%	0.642	45%	0.454	S	S	*	.	H	α-helix	trans	-65.4	-46.7	-179.7	-169.3	-179.6	-159.2	169.7	5.8	111.3	A242 N243 F244 M250	A242-R246 WeakPolarHBondContact O-CB 3.36Å; A242-R246 PolarHBondContact O-N 3.24Å; N243-R246 PolarHBondContact O-N 2.71Å; F244-R246 VanDerWaalsContact C-N 3.3Å; F244-R246 PolarHBondContact O-N 2.83Å; R246-M250 HydrophobicContact CG-CE 4.47Å; R246-M250 HydrophobicContact CG-SD 4.47Å; R246-M250 WeakPolarHBondContact O-CB 3.19Å; R246-M250 VanDerWaalsContact O-CG 3.23Å; R246-M250 WeakPolarHBondContact O-CG 3.26Å; R246-M250 PolarHBondContact O-N 3.35Å
247	Q	53	Low	48.7	Very low	99 Å²	99	94.2 Å²	94.2	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-65.8	-46.7	179.7	-71.9	-177.8	39.3	0	0	111.5	N243 F244 K249 M250 K251	N243-Q247 WeakPolarHBondContact O-CB 3.27Å; N243-Q247 VanDerWaalsContact O-CG 3.3Å; N243-Q247 WeakPolarHBondContact O-CG 3.42Å; N243-Q247 PolarHBondContact O-N 3.07Å; F244-Q247 PolarHBondContact O-N 3.09Å; Q247-K249 PolarHBondContact O-N 2.92Å; Q247-M250 PolarHBondContact O-N 2.71Å; Q247-K251 WeakPolarHBondContact O-CB 3.38Å; Q247-K251 PolarHBondContact O-N 3.41Å
248	L	50.1	Low	48.6	Very low	11 Å²	11	92.6 Å²	92.6	6%	0.058	44%	0.439	C	S	.	.	H	α-helix	trans	-65.5	-40.6	179.2	-170.4	65.4	0	0	0	111.7	Y25 T225 F244 K251 C252	Y25-L248 HydrophobicContact CE1-CD1 4.09Å; Y25-L248 WeakPolarHBondContact OH-CD1 2.87Å; T225-L248 HydrophobicContact CG2-CD2 3.79Å; T225-L248 HydrophobicContact CG2-CG 4.02Å; T225-L248 WeakPolarHBondContact OG1-CD2 2.84Å; T225-L248 VanDerWaalsContact OG1-CG 3.31Å; T225-L248 WeakPolarHBondContact OG1-CG 3.46Å; F244-L248 HydrophobicContact CE1-CD2 3.95Å; F244-L248 HydrophobicContact CE2-CD2 4.37Å; F244-L248 HydrophobicContact CZ-CD2 3.7Å; F244-L248 VanDerWaalsContact O-CB 3.27Å; F244-L248 WeakPolarHBondContact O-CB 2.87Å; F244-L248 PolarHBondContact O-N 3.3Å; L248-K251 PolarHBondContact O-N 3.19Å; L248-C252 WeakPolarHBondContact O-CB 3.47Å; L248-C252 PolarHBondContact O-N 3.33Å; L248-C252 PolarHBondContact O-SG 3.49Å; L248-C252 VanDerWaalsContact O-SG 3.36Å
249	K	52	Low	48.4	Very low	159 Å²	159	87.4 Å²	87.4	69%	0.691	41%	0.414	S	S	*	.	H	α-helix	trans	-66.1	-42.2	175.1	-174.8	175.5	-177.6	174.4	0	112.6	Y245 Q247 K251 R253	Y245-K249 WeakPolarHBondContact O-CB 3.23Å; Y245-K249 PolarHBondContact O-N 3.47Å; Q247-K249 PolarHBondContact O-N 2.92Å; K249-K251 VanDerWaalsContact C-N 3.34Å; K249-R253 WeakPolarHBondContact O-CB 3.35Å; K249-R253 PolarHBondContact O-N 2.56Å
250	M	50.7	Low	48.1	Very low	101 Å²	101	80.3 Å²	80.3	50%	0.498	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-46.7	174.5	-74.9	-170.2	-46.2	0	0	110	R246 Q247 R253 D254	R246-M250 HydrophobicContact CG-CE 4.47Å; R246-M250 HydrophobicContact CG-SD 4.47Å; R246-M250 WeakPolarHBondContact O-CB 3.19Å; R246-M250 VanDerWaalsContact O-CG 3.23Å; R246-M250 WeakPolarHBondContact O-CG 3.26Å; R246-M250 PolarHBondContact O-N 3.35Å; Q247-M250 PolarHBondContact O-N 2.71Å; M250-R253 WeakPolarHBondContact O-CB 3.48Å; M250-R253 PolarHBondContact O-N 2.64Å; M250-D254 WeakPolarHBondContact O-CB 3.31Å; M250-D254 PolarHBondContact O-N 3.34Å
251	K	53.1	Low	47.4	Very low	53 Å²	53	76.5 Å²	76.5	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-66	-48.7	-178.4	-165.1	144.1	-166.2	164.1	0	113.5	Y25 Q247 L248 K249 R253 D254 D255	Y25-K251 HydrophobicContact CD1-CD 3.59Å; Y25-K251 HydrophobicContact CD1-CG 4.3Å; Y25-K251 HydrophobicContact CD2-CD 3.6Å; Y25-K251 VanDerWaalsContact CD2-NZ 3.33Å; Y25-K251 HydrophobicContact CE1-CD 3.8Å; Y25-K251 HydrophobicContact CE1-CG 4.33Å; Y25-K251 HydrophobicContact CE2-CD 3.82Å; Y25-K251 HydrophobicContact CG-CD 3.51Å; Q247-K251 WeakPolarHBondContact O-CB 3.38Å; Q247-K251 PolarHBondContact O-N 3.41Å; L248-K251 PolarHBondContact O-N 3.19Å; K249-K251 VanDerWaalsContact C-N 3.34Å; K251-R253 PolarHBondContact O-N 2.91Å; K251-D254 PolarHBondContact O-N 3.48Å; K251-D254 VanDerWaalsContact O-N 3.14Å; K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 PolarHBondContact O-N 3.05Å; K251-D255 VanDerWaalsContact O-OD2 3.09Å
252	C	49.3	Very low	46.8	Very low	13 Å²	13	82.2 Å²	82.2	9%	0.088	41%	0.412	C	S	.	.	H	α-helix	trans	-59.3	-37.1	174.4	-71.9	0	0	0	0	111.8	L222 T225 L248 L256	L222-C252 HydrophobicContact CD2-CB 4.17Å; T225-C252 PolarHBondContact OG1-SG 3.47Å; L248-C252 WeakPolarHBondContact O-CB 3.47Å; L248-C252 PolarHBondContact O-N 3.33Å; L248-C252 PolarHBondContact O-SG 3.49Å; L248-C252 VanDerWaalsContact O-SG 3.36Å; C252-L256 WeakPolarHBondContact O-CB 3.19Å; C252-L256 PolarHBondContact O-N 3.38Å
253	R	47.3	Very low	46.2	Very low	170 Å²	170	83 Å²	83	64%	0.642	41%	0.405	S	S	*	.	H	α-helix	trans	-67.5	-43.4	175	-175.2	179.8	-174.5	-172	-0.1	111.8	K249 M250 K251 L256 N257	K249-R253 WeakPolarHBondContact O-CB 3.35Å; K249-R253 PolarHBondContact O-N 2.56Å; M250-R253 WeakPolarHBondContact O-CB 3.48Å; M250-R253 PolarHBondContact O-N 2.64Å; K251-R253 PolarHBondContact O-N 2.91Å; R253-L256 PolarHBondContact O-N 3.5Å; R253-N257 WeakPolarHBondContact O-CB 3.5Å; R253-N257 PolarHBondContact O-N 3.27Å; R253-N257 PolarHBondContact O-ND2 2.84Å
254	D	51.2	Low	44.9	Very low	93 Å²	93	81.1 Å²	81.1	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-68.9	-38.6	-179.7	-67.3	-20	0	0	0	111.5	M250 K251 S258	M250-D254 WeakPolarHBondContact O-CB 3.31Å; M250-D254 PolarHBondContact O-N 3.34Å; K251-D254 PolarHBondContact O-N 3.48Å; K251-D254 VanDerWaalsContact O-N 3.14Å; D254-S258 VanDerWaalsContact O-CB 3.27Å; D254-S258 WeakPolarHBondContact O-CB 3.44Å; D254-S258 PolarHBondContact O-N 3.43Å; D254-S258 PolarHBondContact O-OG 3.42Å
255	D	47	Very low	43.8	Very low	32 Å²	32	84 Å²	84	17%	0.171	42%	0.421	C	S	.	.	H	α-helix	trans	-66.8	-45.9	174.1	-66.7	-40.8	0	0	0	111.4	I218 R221 K251 S258 I259	I218-D255 HydrophobicContact CD1-CB 4.18Å; I218-D255 HydrophobicContact CG1-CB 4.18Å; R221-D255 IonicContact CZ-OD2 3.92Å; R221-D255 IonicContact NE-OD2 3.47Å; R221-D255 IonicContact NH1-OD1 3.05Å; R221-D255 PolarHBondContact NH1-OD1 2.9Å; R221-D255 VanDerWaalsContact NH1-OD1 3.07Å; R221-D255 IonicContact NH1-OD2 3.92Å; R221-D255 PolarHBondContact NH1-OD2 2.95Å; K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 PolarHBondContact O-N 3.05Å; K251-D255 VanDerWaalsContact O-OD2 3.09Å; D255-S258 PolarHBondContact O-N 2.88Å; D255-I259 PolarHBondContact O-N 2.91Å
256	L	45.4	Very low	42.7	Very low	70 Å²	70	84.7 Å²	84.7	37%	0.366	43%	0.427	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.7	-167.3	110.5	0	0	0	110.8	L222 C252 R253 S258 I259 L260	L222-L256 HydrophobicContact CD1-CD1 4.16Å; C252-L256 WeakPolarHBondContact O-CB 3.19Å; C252-L256 PolarHBondContact O-N 3.38Å; R253-L256 PolarHBondContact O-N 3.5Å; L256-S258 VanDerWaalsContact C-N 3.35Å; L256-I259 PolarHBondContact O-N 3.13Å; L256-L260 HydrophobicContact CD2-CD1 3.57Å; L256-L260 HydrophobicContact CD2-CG 4.5Å; L256-L260 HydrophobicContact CG-CD1 3.98Å; L256-L260 HydrophobicContact CG-CG 4.41Å; L256-L260 VanDerWaalsContact O-CB 3.3Å; L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 3.32Å
257	N	42.2	Very low	41.3	Very low	64 Å²	64	82.7 Å²	82.7	34%	0.342	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-40.6	173.1	-76.7	-21.5	0	0	0	111.3	R253 I259 L260 C261	R253-N257 WeakPolarHBondContact O-CB 3.5Å; R253-N257 PolarHBondContact O-N 3.27Å; R253-N257 PolarHBondContact O-ND2 2.84Å; N257-I259 VanDerWaalsContact C-N 3.3Å; N257-I259 PolarHBondContact O-N 3.41Å; N257-L260 PolarHBondContact O-N 3.03Å; N257-C261 WeakPolarHBondContact O-CB 3.29Å; N257-C261 PolarHBondContact O-N 3.47Å; N257-C261 PolarHBondContact O-SG 3.26Å
258	S	45.4	Very low	40	Very low	66 Å²	66	84.5 Å²	84.5	46%	0.462	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-38.9	178.7	-64.3	0	0	0	0	111.4	D254 D255 L256 L262	D254-S258 VanDerWaalsContact O-CB 3.27Å; D254-S258 WeakPolarHBondContact O-CB 3.44Å; D254-S258 PolarHBondContact O-N 3.43Å; D254-S258 PolarHBondContact O-OG 3.42Å; D255-S258 PolarHBondContact O-N 2.88Å; L256-S258 VanDerWaalsContact C-N 3.35Å; S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 WeakPolarHBondContact O-CD1 3.41Å; S258-L262 WeakPolarHBondContact O-CG 3.14Å; S258-L262 PolarHBondContact O-N 3.44Å; S258-L262 VanDerWaalsContact O-N 3.15Å
259	I	38	Very low	39	Very low	36 Å²	36	87.1 Å²	87.1	19%	0.185	48%	0.479	C	S	.	.	H	α-helix	trans	-78.7	-37.5	174.9	-91.9	150.6	0	0	0	113.8	A214 I218 D255 L256 N257 C261 L262 E263	A214-I259 HydrophobicContact CB-CD1 4.38Å; I218-I259 HydrophobicContact CD1-CD1 2.9Å; I218-I259 HydrophobicContact CD1-CG1 4.25Å; I218-I259 HydrophobicContact CG1-CD1 4.34Å; D255-I259 PolarHBondContact O-N 2.91Å; L256-I259 PolarHBondContact O-N 3.13Å; N257-I259 VanDerWaalsContact C-N 3.3Å; N257-I259 PolarHBondContact O-N 3.41Å; I259-C261 PolarHBondContact O-N 3.17Å; I259-L262 CarbonylContact O-C 3.58Å; I259-L262 PolarHBondContact O-N 3.26Å; I259-E263 HydrophobicContact CG2-CG 4.27Å; I259-E263 WeakPolarHBondContact O-CB 3.21Å; I259-E263 PolarHBondContact O-N 3.45Å
260	L	35.4	Very low	37.9	Very low	66 Å²	66	84.6 Å²	84.6	35%	0.346	48%	0.477	S	S	.	.	H	α-helix	trans	-63.5	-32.6	172.1	-70.7	172.5	0	0	0	111.3	L256 N257 L262 V264 I266	L256-L260 HydrophobicContact CD2-CD1 3.57Å; L256-L260 HydrophobicContact CD2-CG 4.5Å; L256-L260 HydrophobicContact CG-CD1 3.98Å; L256-L260 HydrophobicContact CG-CG 4.41Å; L256-L260 VanDerWaalsContact O-CB 3.3Å; L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.48Å; L256-L260 PolarHBondContact O-N 3.32Å; N257-L260 PolarHBondContact O-N 3.03Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-V264 HydrophobicContact CD2-CG2 4.19Å; L260-V264 WeakPolarHBondContact O-CB 3.49Å; L260-V264 PolarHBondContact O-N 3.02Å; L260-V264 VanDerWaalsContact O-N 3.09Å; L260-I266 HydrophobicContact CB-CD1 4.14Å
261	C	33.9	Very low	36.8	Very low	91 Å²	91	86 Å²	86	62%	0.615	49%	0.491	S	S	*	.	H	α-helix	trans	-72.1	-22.8	171.2	-73	0	0	0	0	113.5	N257 I259	N257-C261 WeakPolarHBondContact O-CB 3.29Å; N257-C261 PolarHBondContact O-N 3.47Å; N257-C261 PolarHBondContact O-SG 3.26Å; I259-C261 PolarHBondContact O-N 3.17Å
262	L	34.5	Very low	35.6	Very low	146 Å²	146	87.9 Å²	87.9	76%	0.764	51%	0.511	S	S	*	.	H	α-helix	trans	-97.7	-25	179.6	-73.1	168	0	0	0	113.7	S258 I259 L260	S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 WeakPolarHBondContact O-CD1 3.41Å; S258-L262 WeakPolarHBondContact O-CG 3.14Å; S258-L262 PolarHBondContact O-N 3.44Å; S258-L262 VanDerWaalsContact O-N 3.15Å; I259-L262 CarbonylContact O-C 3.58Å; I259-L262 PolarHBondContact O-N 3.26Å; L260-L262 VanDerWaalsContact C-N 3.34Å
263	E	34.2	Very low	34.7	Very low	87 Å²	87	96 Å²	96	41%	0.407	55%	0.547	S	S	.	.	H	α-helix	trans	-114.7	-6.8	-174.2	-65.1	-163.3	145.6	0	0	113.8	N211 I259	N211-E263 PolarHBondContact ND2-OE1 2.87Å; I259-E263 HydrophobicContact CG2-CG 4.27Å; I259-E263 WeakPolarHBondContact O-CB 3.21Å; I259-E263 PolarHBondContact O-N 3.45Å
264	V	27.5	Very low	33.9	Very low	68 Å²	68	95.3 Å²	95.3	41%	0.412	55%	0.551	S	S	.	*	S	Bend	trans	-135.2	123.6	174.1	-169.4	0	0	0	0	107.3	L260 I266	L260-V264 HydrophobicContact CD2-CG2 4.19Å; L260-V264 WeakPolarHBondContact O-CB 3.49Å; L260-V264 PolarHBondContact O-N 3.02Å; L260-V264 VanDerWaalsContact O-N 3.09Å; V264-I266 HydrophobicContact CB-CG1 4.42Å; V264-I266 PolarHBondContact O-N 2.73Å
265	P	24.7	Very low	32.9	Very low	113 Å²	113	100 Å²	100	73%	0.734	58%	0.575	S	S	*	*			trans	-61.5	95	154.8	14.9	-6.2	0	0	0	104.2	L267	P265-L267 PolarHBondContact O-N 3.22Å
266	I	26.9	Very low	32.2	Very low	71 Å²	71	103.6 Å²	103.6	36%	0.364	60%	0.599	S	S	.	*			trans	-61.9	91.5	170	-60.1	176.5	0	0	0	103.2	L260 V264 P268	L260-I266 HydrophobicContact CB-CD1 4.14Å; V264-I266 HydrophobicContact CB-CG1 4.42Å; V264-I266 PolarHBondContact O-N 2.73Å; I266-P268 VanDerWaalsContact O-CD 3.31Å; I266-P268 WeakPolarHBondContact O-CD 3.14Å
267	L	24.8	Very low	31.4	Very low	128 Å²	128	109.4 Å²	109.4	67%	0.67	62%	0.624	S	S	*	*			trans	-46.5	116.2	171.2	-101	129.9	0	0	0	105.1	P265 G269 T270	P265-L267 PolarHBondContact O-N 3.22Å; L267-G269 VanDerWaalsContact C-N 3.26Å; L267-G269 PolarHBondContact O-N 2.61Å; L267-T270 PolarHBondContact O-N 3.13Å; L267-T270 PolarHBondContact O-OG1 3.32Å
268	P	26.1	Very low	31	Very low	136 Å²	136	117.3 Å²	117.3	88%	0.883	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	96.8	178.5	23.8	-29.2	0	0	0	106.5	I266	I266-P268 VanDerWaalsContact O-CD 3.31Å; I266-P268 WeakPolarHBondContact O-CD 3.14Å
269	G	28.9	Very low	30.2	Very low	67 Å²	67	121.8 Å²	121.8	69%	0.691	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.3	-16.9	-167.6	0	0	0	0	0	115.5	L267	L267-G269 VanDerWaalsContact C-N 3.26Å; L267-G269 PolarHBondContact O-N 2.61Å
270	T	29.1	Very low	30	Very low	105 Å²	105	127.9 Å²	127.9	64%	0.644	70%	0.7	S	S	*	*			trans	-96.3	-4.1	177.6	50.2	0	0	0	0	114.8	L267 S272	L267-T270 PolarHBondContact O-N 3.13Å; L267-T270 PolarHBondContact O-OG1 3.32Å; T270-S272 PolarHBondContact O-N 3.13Å
271	V	27.2	Very low	29.7	Very low	132 Å²	132	130.8 Å²	130.8	80%	0.8	72%	0.722	S	S	*	*	S	Bend	trans	-81.5	71.7	164.2	-171.8	0	0	0	0	107.6	Q273	V271-Q273 PolarHBondContact O-N 3.11Å
272	S	28.4	Very low	29.6	Very low	92 Å²	92	129.5 Å²	129.5	64%	0.643	73%	0.725	S	S	*	*			trans	-73.7	126	175.9	-151.1	0	0	0	0	109.5	T270 E274	T270-S272 PolarHBondContact O-N 3.13Å; S272-E274 PolarHBondContact O-N 2.82Å
273	Q	30.1	Very low	29.6	Very low	182 Å²	182	131.2 Å²	131.2	85%	0.85	73%	0.734	S	S	*	*			trans	-78.2	46.4	-170.8	-153.3	171.5	11.5	0	0	111.3	V271	V271-Q273 PolarHBondContact O-N 3.11Å
274	E	30	Very low	29.3	Very low	157 Å²	157	134.3 Å²	134.3	73%	0.734	75%	0.753	S	S	*	*			trans	-134.5	65.4	-172.4	-68	-169.9	159.9	0	0	112.2	S272	S272-E274 PolarHBondContact O-N 2.82Å
275	L	31.6	Very low	29.4	Very low	190 Å²	190	136 Å²	136	100%	0.995	77%	0.768	S	S	*	*			trans	-102.9	54.5	140.1	-82.6	164.2	0	0	0	107.3
276	T	31.7	Very low	29.7	Very low	109 Å²	109	138 Å²	138	67%	0.669	77%	0.771	S	S	*	*	S	Bend	trans	-99.5	119.2	165.4	-50.7	0	0	0	0	105.8	R278	T276-R278 PolarHBondContact O-N 2.86Å
277	E	28.1	Very low	29.9	Very low	191 Å²	191	145 Å²	145	89%	0.893	79%	0.794	S	S	*	*			trans	-43.8	108	172.3	-67.9	170.5	141.7	0	0	110.7
278	R	34.1	Very low	30.1	Very low	231 Å²	231	147.8 Å²	147.8	87%	0.872	80%	0.803	S	S	*	*			trans	-155.9	114.7	159.2	-115.2	171.4	-166	-174.3	3.6	111.6	T276 L280	T276-R278 PolarHBondContact O-N 2.86Å; R278-L280 PolarHBondContact O-N 3.49Å
279	N	29.4	Very low	30.2	Very low	160 Å²	160	144.9 Å²	144.9	86%	0.856	80%	0.798	S	S	*	*			trans	-43.1	117.3	169.6	-58	-64.3	0	0	0	112
280	L	32.5	Very low	30.6	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	81%	0.806	S	S	*	*			trans	-128.7	115.3	154.8	-111.6	98.8	0	0	0	109.6	R278	R278-L280 PolarHBondContact O-N 3.49Å
281	P	29.9	Very low	31	Very low	126 Å²	126	151.1 Å²	151.1	82%	0.818	82%	0.816	S	S	*	*			trans	-80.3	125.2	171	31.7	-27.3	0	0	0	108.5
282	G	32.4	Very low	32	Very low	64 Å²	64	149.2 Å²	149.2	66%	0.66	80%	0.804	S	S	*	*			trans	167	-12.5	175.5	0	0	0	0	0	118.3	N284	G282-N284 PolarHBondContact O-N 3.09Å
283	L	33.1	Very low	32.9	Very low	183 Å²	183	147 Å²	147	96%	0.958	79%	0.788	S	S	*	*			trans	-93.3	84.5	172.6	-94.3	144.5	0	0	0	110.1	S285	L283-S285 PolarHBondContact O-N 3.07Å
284	N	29.5	Very low	33.8	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	76%	0.763	S	S	*	*			trans	-60.6	120.8	172	-76.7	-35.7	0	0	0	111.3	G282	G282-N284 PolarHBondContact O-N 3.09Å
285	S	28.3	Very low	34.5	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	75%	0.753	S	S	*	*				56.6	82.9	128	-178.7	0	0	0	0	118	L283	L283-S285 PolarHBondContact O-N 3.07Å
286	I	31.7	Very low	35.4	Very low	156 Å²	156	133.4 Å²	133.4	80%	0.8	73%	0.73	S	S	*	*	S	Bend	trans	-129.3	102	143.4	-62.5	-176.4	0	0	0	107.2
287	Y	30.9	Very low	36.4	Very low	218 Å²	218	131.1 Å²	131.1	86%	0.855	71%	0.713	S	S	*	*			trans	70.3	83.2	163.1	-77	-97.5	0	0	0	119.4
288	H	29.5	Very low	37.6	Very low	186 Å²	186	123.4 Å²	123.4	86%	0.861	68%	0.678	S	S	*	*			trans	-62.6	143.6	134.2	-72.2	-79.1	0	0	0	109.7
289	G	28.6	Very low	38.4	Very low	76 Å²	76	116.7 Å²	116.7	78%	0.784	66%	0.659	S	S	*	*			trans	165.5	-29.8	147.1	0	0	0	0	0	121.6
290	E	37.4	Very low	39.6	Very low	183 Å²	183	109.4 Å²	109.4	86%	0.855	62%	0.62	S	S	*	*			trans	-137.4	118	-177.1	-72.5	-176.3	170	0	0	110.7	T292	E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.02Å
291	S	37.4	Very low	40.9	Very low	120 Å²	120	103 Å²	103	84%	0.839	59%	0.585	S	S	*	*			trans	-64.1	96	167.5	53.8	0	0	0	0	108.3	S293	S291-S293 PolarHBondContact O-N 3.45Å; S291-S293 VanDerWaalsContact O-N 3.1Å
292	T	46.6	Very low	42.1	Very low	91 Å²	91	100.2 Å²	100.2	56%	0.558	57%	0.565	S	S	*	*			trans	-55.5	118.6	170.4	-51.1	0	0	0	0	108	E290 Q296 L297	E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.02Å; T292-Q296 HydrophobicContact CG2-CB 3.66Å; T292-L297 HydrophobicContact CG2-CB 4.44Å
293	S	48.1	Very low	43.3	Very low	45 Å²	45	101.9 Å²	101.9	32%	0.315	55%	0.554	S	S	.	*			trans	-66	151.3	179.4	69.8	0	0	0	0	109.9	S291 S295 Q296 L297	S291-S293 PolarHBondContact O-N 3.45Å; S291-S293 VanDerWaalsContact O-N 3.1Å; S293-S295 PolarHBondContact O-N 3.48Å; S293-S295 VanDerWaalsContact O-N 3.13Å; S293-S295 PolarHBondContact OG-OG 3.44Å; S293-Q296 WeakPolarHBondContact O-CB 3.42Å; S293-Q296 PolarHBondContact O-N 3.13Å; S293-Q296 VanDerWaalsContact OG-CG 3.26Å; S293-Q296 WeakPolarHBondContact OG-CG 2.87Å; S293-Q296 PolarHBondContact OG-N 3.36Å; S293-L297 PolarHBondContact O-N 2.78Å
294	L	49.2	Very low	44.6	Very low	60 Å²	60	94.5 Å²	94.5	31%	0.314	52%	0.515	S	S	.	.	H	α-helix	trans	-51.7	-37.8	174.7	-172.6	75.8	0	0	0	111.7	L230 Q233 M234 L297 L298	L230-L294 HydrophobicContact CB-CD1 4.25Å; L230-L294 HydrophobicContact CD2-CD1 3.33Å; L230-L294 HydrophobicContact CD2-CG 4.36Å; L230-L294 HydrophobicContact CG-CD1 4.37Å; Q233-L294 HydrophobicContact CB-CD1 4.25Å; Q233-L294 HydrophobicContact CB-CD2 4.23Å; M234-L294 HydrophobicContact CG-CD2 3.35Å; M234-L294 HydrophobicContact CG-CG 4.36Å; M234-L294 HydrophobicContact SD-CD2 4.37Å; L294-L297 PolarHBondContact O-N 2.89Å; L294-L298 WeakPolarHBondContact O-CB 3.28Å; L294-L298 PolarHBondContact O-N 3.27Å
295	S	44.7	Very low	46.1	Very low	76 Å²	76	88.4 Å²	88.4	53%	0.531	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-39.2	175.5	52.6	0	0	0	0	113.4	S293 L299	S293-S295 PolarHBondContact O-N 3.48Å; S293-S295 VanDerWaalsContact O-N 3.13Å; S293-S295 PolarHBondContact OG-OG 3.44Å; S295-L299 VanDerWaalsContact O-CB 3.31Å; S295-L299 WeakPolarHBondContact O-CB 3.47Å; S295-L299 PolarHBondContact O-N 3.24Å
296	Q	50.4	Low	47.5	Very low	109 Å²	109	89.3 Å²	89.3	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-67.7	-39.7	175.1	-76.3	170.2	-19.5	0	0	111.3	T292 S293 L299 S300	T292-Q296 HydrophobicContact CG2-CB 3.66Å; S293-Q296 WeakPolarHBondContact O-CB 3.42Å; S293-Q296 PolarHBondContact O-N 3.13Å; S293-Q296 VanDerWaalsContact OG-CG 3.26Å; S293-Q296 WeakPolarHBondContact OG-CG 2.87Å; S293-Q296 PolarHBondContact OG-N 3.36Å; Q296-L299 PolarHBondContact O-N 3.07Å; Q296-S300 WeakPolarHBondContact O-CB 3.22Å; Q296-S300 PolarHBondContact O-N 3Å
297	L	52.4	Low	48.9	Very low	60 Å²	60	84.4 Å²	84.4	31%	0.314	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-42.8	176.8	-168.4	62.4	0	0	0	111.2	L230 T292 S293 L294 S300 W301	L230-L297 HydrophobicContact CD1-CB 4.16Å; L230-L297 HydrophobicContact CD1-CD2 4.14Å; L230-L297 HydrophobicContact CD1-CG 3.79Å; L230-L297 HydrophobicContact CD2-CB 4.42Å; L230-L297 HydrophobicContact CD2-CD2 3.52Å; L230-L297 HydrophobicContact CD2-CG 4.08Å; L230-L297 HydrophobicContact CG-CD2 4.47Å; T292-L297 HydrophobicContact CG2-CB 4.44Å; S293-L297 PolarHBondContact O-N 2.78Å; L294-L297 PolarHBondContact O-N 2.89Å; L297-S300 WeakPolarHBondContact O-CB 3.35Å; L297-S300 PolarHBondContact O-N 2.82Å; L297-W301 PolarHBondContact O-N 2.94Å; L297-W301 VanDerWaalsContact O-N 3.1Å
298	L	52.6	Low	50.3	Low	29 Å²	29	75.1 Å²	75.1	15%	0.152	42%	0.423	C	S	.	.	H	α-helix	trans	-62.3	-47.5	175.7	-178	68.8	0	0	0	111.2	I227 L230 L231 M234 L294 S300 W301 V302	I227-L298 HydrophobicContact CB-CD1 4.28Å; I227-L298 HydrophobicContact CG1-CD1 4.3Å; I227-L298 HydrophobicContact CG2-CD1 3.97Å; L230-L298 HydrophobicContact CB-CB 4.39Å; L230-L298 HydrophobicContact CB-CD1 3.94Å; L230-L298 HydrophobicContact CD1-CB 4.17Å; L230-L298 HydrophobicContact CD1-CD1 4.34Å; L231-L298 HydrophobicContact CD2-CD1 4.22Å; L231-L298 HydrophobicContact CD2-CD2 3.82Å; L231-L298 HydrophobicContact CG-CD1 4.03Å; M234-L298 HydrophobicContact SD-CD2 4.08Å; L294-L298 WeakPolarHBondContact O-CB 3.28Å; L294-L298 PolarHBondContact O-N 3.27Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 2.94Å; L298-W301 PolarHBondContact O-N 3.13Å; L298-V302 WeakPolarHBondContact O-CG2 3.22Å; L298-V302 PolarHBondContact O-N 2.64Å
299	L	51.7	Low	51.8	Low	90 Å²	90	69.8 Å²	69.8	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-38	177.4	-176.5	63.3	0	0	0	111.8	S295 Q296 K303	S295-L299 VanDerWaalsContact O-CB 3.31Å; S295-L299 WeakPolarHBondContact O-CB 3.47Å; S295-L299 PolarHBondContact O-N 3.24Å; Q296-L299 PolarHBondContact O-N 3.07Å; L299-K303 HydrophobicContact CG-CD 4.44Å; L299-K303 WeakPolarHBondContact O-CB 3.33Å; L299-K303 VanDerWaalsContact O-CG 3.3Å; L299-K303 WeakPolarHBondContact O-CG 3.48Å; L299-K303 PolarHBondContact O-N 3.15Å
300	S	55.1	Low	53.2	Low	7 Å²	7	71.4 Å²	71.4	5%	0.049	39%	0.392	C	S	.	.	H	α-helix	trans	-60	-49.1	175.1	175.1	0	0	0	0	111.7	V196 Q296 L297 L298 K303 Q304	V196-S300 WeakPolarHBondContact CG1-OG 3.3Å; Q296-S300 WeakPolarHBondContact O-CB 3.22Å; Q296-S300 PolarHBondContact O-N 3Å; L297-S300 WeakPolarHBondContact O-CB 3.35Å; L297-S300 PolarHBondContact O-N 2.82Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 2.94Å; S300-K303 PolarHBondContact O-N 3.18Å; S300-Q304 WeakPolarHBondContact O-CG 3.18Å; S300-Q304 PolarHBondContact O-N 3.28Å
301	W	59.2	Low	53.8	Low	30 Å²	30	71.3 Å²	71.3	11%	0.114	40%	0.397	C	S	.	.	H	α-helix	trans	-67.6	-38.3	179.3	-75.6	112.7	0	0	0	113.1	L200 C223 E226 I227 L297 L298 K303 Q304 L305	L200-W301 HydrophobicContact CD1-CZ3 4.2Å; C223-W301 HydrophobicContact CB-CE3 4.06Å; E226-W301 HydrophobicContact CB-CD2 3.58Å; E226-W301 VanDerWaalsContact CB-CE2 3.45Å; E226-W301 HydrophobicContact CB-CE3 4.22Å; E226-W301 HydrophobicContact CB-CG 3.76Å; E226-W301 HydrophobicContact CB-CZ2 4Å; E226-W301 HydrophobicContact CG-CD2 4.09Å; E226-W301 HydrophobicContact CG-CE3 4.5Å; E226-W301 HydrophobicContact CG-CH2 4.01Å; E226-W301 HydrophobicContact CG-CZ2 3.55Å; E226-W301 HydrophobicContact CG-CZ3 4.46Å; I227-W301 HydrophobicContact CD1-CB 4.32Å; I227-W301 HydrophobicContact CG1-CB 3.7Å; L297-W301 PolarHBondContact O-N 2.94Å; L297-W301 VanDerWaalsContact O-N 3.1Å; L298-W301 PolarHBondContact O-N 3.13Å; W301-K303 VanDerWaalsContact C-N 3.31Å; W301-K303 PolarHBondContact O-N 2.75Å; W301-Q304 PolarHBondContact O-N 2.88Å; W301-L305 WeakPolarHBondContact O-CB 3.29Å; W301-L305 PolarHBondContact O-N 3.44Å
302	V	54.6	Low	54.6	Low	67 Å²	67	68.9 Å²	68.9	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-40.8	173.4	172.7	0	0	0	0	110.9	I227 L298 L305 H306	I227-V302 HydrophobicContact CD1-CG2 3.85Å; I227-V302 HydrophobicContact CG1-CG2 4.08Å; L298-V302 WeakPolarHBondContact O-CG2 3.22Å; L298-V302 PolarHBondContact O-N 2.64Å; V302-L305 PolarHBondContact O-N 3.08Å; V302-H306 WeakPolarHBondContact O-CB 3.4Å; V302-H306 PolarHBondContact O-N 2.78Å
303	K	59.4	Low	55	Low	99 Å²	99	67.7 Å²	67.7	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.1	-77.5	178.7	177.1	-174.7	0	112.3	L299 S300 W301 H306 A307	L299-K303 HydrophobicContact CG-CD 4.44Å; L299-K303 WeakPolarHBondContact O-CB 3.33Å; L299-K303 VanDerWaalsContact O-CG 3.3Å; L299-K303 WeakPolarHBondContact O-CG 3.48Å; L299-K303 PolarHBondContact O-N 3.15Å; S300-K303 PolarHBondContact O-N 3.18Å; W301-K303 VanDerWaalsContact C-N 3.31Å; W301-K303 PolarHBondContact O-N 2.75Å; K303-H306 PolarHBondContact O-N 2.95Å; K303-A307 WeakPolarHBondContact O-CB 3.49Å; K303-A307 PolarHBondContact O-N 2.88Å
304	Q	60	Low	55.4	Low	28 Å²	28	69 Å²	69	13%	0.131	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-42.3	175.9	-70.8	177.1	11.7	0	0	111.7	S300 W301 H306 A307 L308	S300-Q304 WeakPolarHBondContact O-CG 3.18Å; S300-Q304 PolarHBondContact O-N 3.28Å; W301-Q304 PolarHBondContact O-N 2.88Å; Q304-H306 VanDerWaalsContact C-N 3.32Å; Q304-H306 PolarHBondContact O-N 2.96Å; Q304-A307 PolarHBondContact O-N 3.18Å; Q304-L308 VanDerWaalsContact O-CG 3.31Å; Q304-L308 WeakPolarHBondContact O-CG 3.11Å; Q304-L308 PolarHBondContact O-N 2.86Å
305	L	60.9	Low	55.8	Low	24 Å²	24	69.5 Å²	69.5	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-44.7	174	-175.1	65.6	0	0	0	111.4	R220 C223 M224 I227 W301 V302 L308 D309	R220-L305 HydrophobicContact CB-CD1 4.38Å; R220-L305 HydrophobicContact CG-CD1 3.62Å; C223-L305 HydrophobicContact CB-CB 4Å; C223-L305 HydrophobicContact CB-CD1 3.97Å; M224-L305 HydrophobicContact CG-CD1 4.21Å; M224-L305 HydrophobicContact CG-CD2 4.37Å; M224-L305 HydrophobicContact SD-CD1 4.4Å; M224-L305 HydrophobicContact SD-CD2 3.55Å; M224-L305 VanDerWaalsContact SD-CD2 3.55Å; I227-L305 HydrophobicContact CD1-CB 4.28Å; I227-L305 HydrophobicContact CD1-CD2 3.74Å; W301-L305 WeakPolarHBondContact O-CB 3.29Å; W301-L305 PolarHBondContact O-N 3.44Å; V302-L305 PolarHBondContact O-N 3.08Å; L305-L308 WeakPolarHBondContact O-CB 3.36Å; L305-L308 PolarHBondContact O-N 3.44Å; L305-D309 PolarHBondContact O-N 3.48Å
306	H	56.8	Low	56.4	Low	121 Å²	121	69.1 Å²	69.1	56%	0.56	36%	0.361	S	S	*	.	H	α-helix	trans	-66.1	-38.3	177.6	-171.9	-93.7	0	0	0	112.4	V302 K303 Q304 L308 D309 N310	V302-H306 WeakPolarHBondContact O-CB 3.4Å; V302-H306 PolarHBondContact O-N 2.78Å; K303-H306 PolarHBondContact O-N 2.95Å; Q304-H306 VanDerWaalsContact C-N 3.32Å; Q304-H306 PolarHBondContact O-N 2.96Å; H306-L308 VanDerWaalsContact C-N 3.32Å; H306-D309 PolarHBondContact O-N 2.96Å; H306-N310 PolarHBondContact CE1-ND2 2.99Å; H306-N310 PolarHBondContact ND1-ND2 2.89Å; H306-N310 VanDerWaalsContact ND1-ND2 3.11Å; H306-N310 PolarHBondContact NE2-ND2 2.95Å; H306-N310 PolarHBondContact O-N 3.22Å; H306-N310 PolarHBondContact O-ND2 3.26Å
307	A	61.1	Low	56.9	Low	53 Å²	53	66.5 Å²	66.5	44%	0.438	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-42.7	174.2	0	0	0	0	0	111.1	K303 Q304 D309 N310 D311	K303-A307 WeakPolarHBondContact O-CB 3.49Å; K303-A307 PolarHBondContact O-N 2.88Å; Q304-A307 PolarHBondContact O-N 3.18Å; A307-D309 PolarHBondContact O-N 2.91Å; A307-N310 PolarHBondContact O-N 3.36Å; A307-D311 PolarHBondContact O-N 3.35Å
308	L	60.8	Low	57.2	Low	24 Å²	24	66.9 Å²	66.9	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-42.1	176	-68.8	165.1	0	0	0	112.2	K216 L219 Q304 L305 H306 N310	K216-L308 WeakPolarHBondContact CE-O 3.44Å; K216-L308 PolarHBondContact NZ-O 2.78Å; L219-L308 HydrophobicContact CB-CD1 3.54Å; L219-L308 HydrophobicContact CB-CD2 3.83Å; L219-L308 HydrophobicContact CB-CG 4.35Å; L219-L308 HydrophobicContact CD1-CD2 3.8Å; L219-L308 HydrophobicContact CG-CD2 4.49Å; Q304-L308 VanDerWaalsContact O-CG 3.31Å; Q304-L308 WeakPolarHBondContact O-CG 3.11Å; Q304-L308 PolarHBondContact O-N 2.86Å; L305-L308 WeakPolarHBondContact O-CB 3.36Å; L305-L308 PolarHBondContact O-N 3.44Å; H306-L308 VanDerWaalsContact C-N 3.32Å; L308-N310 VanDerWaalsContact C-N 3.29Å; L308-N310 PolarHBondContact O-N 2.78Å
309	D	60.9	Low	57.5	Low	73 Å²	73	69.8 Å²	69.8	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-70.3	-23.1	-177.6	-76.6	-19.3	0	0	0	113	R220 L305 H306 A307	R220-D309 IonicContact CZ-OD1 2.64Å; R220-D309 IonicContact NE-OD1 3.07Å; R220-D309 PolarHBondContact NE-OD1 2.98Å; R220-D309 IonicContact NH2-OD1 3.85Å; L305-D309 PolarHBondContact O-N 3.48Å; H306-D309 PolarHBondContact O-N 2.96Å; A307-D309 PolarHBondContact O-N 2.91Å
310	N	57.7	Low	58	Low	111 Å²	111	68.2 Å²	68.2	59%	0.594	36%	0.361	S	S	*	.	H	α-helix	trans	-97.9	-6.8	-178	-69.2	-68.7	0	0	0	115.9	H306 A307 L308	H306-N310 PolarHBondContact CE1-ND2 2.99Å; H306-N310 PolarHBondContact ND1-ND2 2.89Å; H306-N310 VanDerWaalsContact ND1-ND2 3.11Å; H306-N310 PolarHBondContact NE2-ND2 2.95Å; H306-N310 PolarHBondContact O-N 3.22Å; H306-N310 PolarHBondContact O-ND2 3.26Å; A307-N310 PolarHBondContact O-N 3.36Å; L308-N310 VanDerWaalsContact C-N 3.29Å; L308-N310 PolarHBondContact O-N 2.78Å
311	D	49.8	Very low	58.3	Low	181 Å²	181	73.7 Å²	73.7	97%	0.968	39%	0.389	S	S	*	.			trans	-85.4	0	170.4	-80.5	-19	0	0	0	113	K216 A307	K216-D311 PolarHBondContact NZ-OXT 3.14Å; A307-D311 PolarHBondContact O-N 3.35Å

Retrieved 311 of 311 residues in 120.8 ms (Link to these results)

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