A0A2K6M4M1_RHIBE Loading...

Inhibitor of growth protein

Component of an histone acetyltransferase complex. Component of the NuA4 histone acetyltransferase (HAT) complex which is involved in transcriptional activation of select genes principally by acetylation of nucleosomal histones H4 and H2A. This modification may both alter nucleosome - DNA interactions and promote interaction of the modified histones with other proteins which positively regulate transcription. This complex may be required for the activation of transcriptional programs associated with oncogene and proto-oncogene mediated growth induction, tumor suppressor mediated growth arrest and replicative senescence, apoptosis, and DNA repair. NuA4 may also play a direct role in DNA repair when directly recruited to sites of DNA damage. Component of a SWR1-like complex that specifically mediates the removal of histone H2A.Z/H2AZ1 from the nucleosome.

AlphaFold DB , UniProt , Accession A0A2K6M4M1, Species RHIBE (Rhinopithecus bieti, Black snub-nosed monkey), Gene ING3, Length 418 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	54.3	Low	71.8	Confident	195 Å²	195	105 Å²	105	96%	0.961	51%	0.506	S	S	*	.				0	-41.3	0	-68.3	-151.6	-71.3	0	0	110.7	Y3 L4	M1-Y3 VanDerWaalsContact C-N 3.27Å; M1-Y3 PolarHBondContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 3.03Å
2	L	61.5	Low	72.8	Confident	121 Å²	121	109.3 Å²	109.3	63%	0.634	53%	0.525	S	S	*	.	H	α-helix	trans	-17.8	-55.1	168.1	-60.5	174.5	0	0	0	117.1	L4 E5 D6	L2-L4 PolarHBondContact O-N 2.89Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L2-E5 WeakPolarHBondContact CA-OE2 3.4Å; L2-E5 PolarHBondContact N-OE2 3.48Å; L2-E5 CarbonylContact O-C 3.57Å; L2-E5 WeakPolarHBondContact O-CA 3.19Å; L2-E5 WeakPolarHBondContact O-CB 3.47Å; L2-E5 PolarHBondContact O-N 2.94Å; L2-D6 PolarHBondContact O-N 2.93Å
3	Y	65.7	Low	73.6	Confident	103 Å²	103	108.8 Å²	108.8	40%	0.404	52%	0.521	S	S	.	.	H	α-helix	trans	-54.3	-31.8	-179.3	-45.2	-78	0	0	0	115.1	M1 Y7 F104 E107	M1-Y3 VanDerWaalsContact C-N 3.27Å; M1-Y3 PolarHBondContact O-N 3.14Å; Y3-Y7 WeakPolarHBondContact O-CB 3.45Å; Y3-Y7 PolarHBondContact O-N 2.75Å; Y3-F104 HydrophobicContact CD1-CD2 4.08Å; Y3-F104 HydrophobicContact CD2-CD2 4.41Å; Y3-F104 HydrophobicContact CD2-CE2 4.08Å; Y3-F104 AromaticContact CG-CD2 3.96Å; Y3-F104 HydrophobicContact CG-CD2 3.96Å; Y3-F104 HydrophobicContact CG-CE2 4.04Å; Y3-E107 WeakPolarHBondContact CE1-OE1 3.47Å; Y3-E107 WeakPolarHBondContact CE1-OE2 3.44Å; Y3-E107 PolarHBondContact OH-OE1 3.09Å
4	L	69.6	Low	74.5	Confident	112 Å²	112	102.9 Å²	102.9	59%	0.586	49%	0.494	S	S	*	.	H	α-helix	trans	-78.5	-29.7	175	-167.9	70.7	0	0	0	111.6	M1 L2 L8	M1-L4 PolarHBondContact O-N 3.03Å; L2-L4 PolarHBondContact O-N 2.89Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L4-L8 HydrophobicContact CD2-CD1 4.5Å; L4-L8 HydrophobicContact CG-CD1 4.04Å; L4-L8 HydrophobicContact CG-CG 4.47Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.09Å; L4-L8 WeakPolarHBondContact O-CD1 3.15Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.44Å
5	E	74.9	Confident	75.6	Confident	112 Å²	112	99.9 Å²	99.9	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-72.2	-48.2	176.9	-65.7	162.4	114.1	0	0	109.7	L2 Y7 L8 E9	L2-E5 WeakPolarHBondContact CA-OE2 3.4Å; L2-E5 PolarHBondContact N-OE2 3.48Å; L2-E5 CarbonylContact O-C 3.57Å; L2-E5 WeakPolarHBondContact O-CA 3.19Å; L2-E5 WeakPolarHBondContact O-CB 3.47Å; L2-E5 PolarHBondContact O-N 2.94Å; E5-Y7 VanDerWaalsContact C-N 3.33Å; E5-Y7 PolarHBondContact O-N 2.93Å; E5-L8 PolarHBondContact O-N 3.24Å; E5-E9 WeakPolarHBondContact O-CB 3.37Å; E5-E9 PolarHBondContact O-N 3.35Å
6	D	72.8	Confident	76.4	Confident	78 Å²	78	99.2 Å²	99.2	42%	0.417	48%	0.483	S	S	.	.	H	α-helix	trans	-55.9	-44.2	171.7	-72.4	14.1	0	0	0	112	L2 M10	L2-D6 PolarHBondContact O-N 2.93Å; D6-M10 WeakPolarHBondContact O-CB 3.44Å; D6-M10 PolarHBondContact O-N 3.28Å; D6-M10 VanDerWaalsContact O-N 3.1Å
7	Y	76.9	Confident	77.2	Confident	101 Å²	101	96.2 Å²	96.2	40%	0.396	47%	0.469	S	S	.	.	H	α-helix	trans	-66.3	-41.3	178.6	-178.4	-89.3	0	0	0	112.4	Y3 E5 I11 L97	Y3-Y7 WeakPolarHBondContact O-CB 3.45Å; Y3-Y7 PolarHBondContact O-N 2.75Å; E5-Y7 VanDerWaalsContact C-N 3.33Å; E5-Y7 PolarHBondContact O-N 2.93Å; Y7-I11 HydrophobicContact CD1-CD1 3.99Å; Y7-I11 HydrophobicContact CE1-CD1 3.38Å; Y7-I11 HydrophobicContact CE2-CD1 4.34Å; Y7-I11 WeakPolarHBondContact O-CG1 3.39Å; Y7-I11 PolarHBondContact O-N 3.31Å; Y7-L97 HydrophobicContact CD2-CD2 3.84Å; Y7-L97 HydrophobicContact CE2-CD2 3.49Å; Y7-L97 VanDerWaalsContact CE2-CD2 3.49Å
8	L	78.6	Confident	78.1	Confident	97 Å²	97	92.7 Å²	92.7	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-70.6	-43.7	177.8	-74.6	169.6	0	0	0	111.7	L4 E5 M10 I11 E12	L4-L8 HydrophobicContact CD2-CD1 4.5Å; L4-L8 HydrophobicContact CG-CD1 4.04Å; L4-L8 HydrophobicContact CG-CG 4.47Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.09Å; L4-L8 WeakPolarHBondContact O-CD1 3.15Å; L4-L8 WeakPolarHBondContact O-CG 3.45Å; L4-L8 PolarHBondContact O-N 3.44Å; E5-L8 PolarHBondContact O-N 3.24Å; L8-M10 VanDerWaalsContact C-N 3.26Å; L8-M10 PolarHBondContact O-N 2.97Å; L8-I11 CarbonylContact O-C 3.59Å; L8-I11 PolarHBondContact O-N 3.4Å; L8-E12 WeakPolarHBondContact O-CB 3.28Å; L8-E12 PolarHBondContact O-N 3.42Å
9	E	79.6	Confident	78.9	Confident	147 Å²	147	94.9 Å²	94.9	69%	0.687	46%	0.456	S	S	*	.	H	α-helix	trans	-58.9	-38.9	175.9	-174.9	173.1	-169.2	0	0	111.2	E5 I11	E5-E9 WeakPolarHBondContact O-CB 3.37Å; E5-E9 PolarHBondContact O-N 3.35Å; E9-I11 VanDerWaalsContact C-N 3.31Å; E9-I11 PolarHBondContact O-N 3.04Å
10	M	73.9	Confident	79.7	Confident	43 Å²	43	95 Å²	95	21%	0.212	46%	0.459	C	S	.	.	H	α-helix	trans	-72.5	-18.9	177.1	-168.8	161.9	66.8	0	0	114.5	D6 L8 H93 K96 L97 E100	D6-M10 WeakPolarHBondContact O-CB 3.44Å; D6-M10 PolarHBondContact O-N 3.28Å; D6-M10 VanDerWaalsContact O-N 3.1Å; L8-M10 VanDerWaalsContact C-N 3.26Å; L8-M10 PolarHBondContact O-N 2.97Å; M10-H93 PolarHBondContact O-ND1 2.69Å; M10-K96 HydrophobicContact CE-CB 3.94Å; M10-K96 HydrophobicContact CG-CD 4.42Å; M10-K96 HydrophobicContact SD-CB 3.72Å; M10-K96 HydrophobicContact SD-CD 3.87Å; M10-K96 HydrophobicContact SD-CG 4.2Å; M10-L97 HydrophobicContact CE-CD2 3.9Å; M10-L97 HydrophobicContact CE-CG 4.44Å; M10-E100 HydrophobicContact CE-CB 4.14Å; M10-E100 HydrophobicContact CE-CG 3.69Å
11	I	81.8	Confident	80.4	Confident	46 Å²	46	95 Å²	95	24%	0.236	45%	0.454	C	S	.	.	H	α-helix	trans	-95.8	-32.3	174.4	-69.1	-178	0	0	0	112.2	Y7 L8 E9 Q13 L14 P15 L97	Y7-I11 HydrophobicContact CD1-CD1 3.99Å; Y7-I11 HydrophobicContact CE1-CD1 3.38Å; Y7-I11 HydrophobicContact CE2-CD1 4.34Å; Y7-I11 WeakPolarHBondContact O-CG1 3.39Å; Y7-I11 PolarHBondContact O-N 3.31Å; L8-I11 CarbonylContact O-C 3.59Å; L8-I11 PolarHBondContact O-N 3.4Å; E9-I11 VanDerWaalsContact C-N 3.31Å; E9-I11 PolarHBondContact O-N 3.04Å; I11-Q13 PolarHBondContact O-N 3.11Å; I11-Q13 VanDerWaalsContact O-N 3.08Å; I11-L14 WeakPolarHBondContact O-CB 3.5Å; I11-L14 PolarHBondContact O-N 2.99Å; I11-P15 WeakPolarHBondContact O-CD 3.29Å; I11-L97 HydrophobicContact CD1-CD1 4.22Å; I11-L97 HydrophobicContact CD1-CD2 3.78Å; I11-L97 HydrophobicContact CG1-CD1 4.31Å; I11-L97 HydrophobicContact CG1-CD2 3.76Å
12	E	84.6	Confident	82.4	Confident	157 Å²	157	91 Å²	91	73%	0.734	43%	0.432	S	S	*	.	H	α-helix	trans	-54.3	-37.2	-168.6	-175.7	167.4	-160.1	0	0	113.6	L8	L8-E12 WeakPolarHBondContact O-CB 3.28Å; L8-E12 PolarHBondContact O-N 3.42Å
13	Q	82.8	Confident	84.1	Confident	102 Å²	102	89.7 Å²	89.7	48%	0.477	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-31	177.9	-171.1	60.7	33.1	0	0	113.7	I11 M16 D17	I11-Q13 PolarHBondContact O-N 3.11Å; I11-Q13 VanDerWaalsContact O-N 3.08Å; Q13-M16 WeakPolarHBondContact O-CA 3.32Å; Q13-M16 VanDerWaalsContact O-CB 3.29Å; Q13-M16 WeakPolarHBondContact O-CB 3.17Å; Q13-M16 PolarHBondContact O-N 3.32Å; Q13-D17 PolarHBondContact NE2-OD1 3.25Å; Q13-D17 PolarHBondContact O-N 3.42Å; Q13-D17 VanDerWaalsContact O-N 3.08Å
14	L	86.5	Confident	85.5	Confident	27 Å²	27	88.4 Å²	88.4	14%	0.141	43%	0.426	C	S	.	.	H	α-helix	trans	-60.1	-43.7	-172	173.7	67.2	0	0	0	113.3	I11 M16 D17 L18 L89 H93	I11-L14 WeakPolarHBondContact O-CB 3.5Å; I11-L14 PolarHBondContact O-N 2.99Å; L14-M16 PolarHBondContact O-N 3.39Å; L14-D17 PolarHBondContact O-N 2.92Å; L14-L18 HydrophobicContact CD1-CD1 3.78Å; L14-L18 HydrophobicContact CD1-CD2 4.44Å; L14-L18 HydrophobicContact CD1-CG 3.8Å; L14-L18 HydrophobicContact CG-CD1 3.85Å; L14-L18 HydrophobicContact CG-CG 4.29Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.46Å; L14-L89 HydrophobicContact CD1-CD2 4.37Å; L14-L89 HydrophobicContact CD1-CG 4.24Å; L14-H93 HydrophobicContact CD1-CB 4.32Å; L14-H93 HydrophobicContact CD2-CB 3.9Å
15	P	90.1	Very high	86.8	Confident	57 Å²	57	84.8 Å²	84.8	37%	0.37	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-24.4	172.4	-26.3	35.2	0	0	0	114.6	I11 R19	I11-P15 WeakPolarHBondContact O-CD 3.29Å; P15-R19 VanDerWaalsContact O-CG 3.28Å; P15-R19 WeakPolarHBondContact O-CG 3.29Å; P15-R19 PolarHBondContact O-N 3.01Å; P15-R19 PolarHBondContact O-NE 3.21Å; P15-R19 PolarHBondContact O-NH1 3.2Å
16	M	89.6	Confident	87.9	Confident	89 Å²	89	88.3 Å²	88.3	44%	0.438	42%	0.416	S	S	.	.	H	α-helix	trans	-74.9	-56.3	174.4	-159.9	81	77.8	0	0	109.8	Q13 L14 L18 R19 D20	Q13-M16 WeakPolarHBondContact O-CA 3.32Å; Q13-M16 VanDerWaalsContact O-CB 3.29Å; Q13-M16 WeakPolarHBondContact O-CB 3.17Å; Q13-M16 PolarHBondContact O-N 3.32Å; L14-M16 PolarHBondContact O-N 3.39Å; M16-L18 VanDerWaalsContact C-N 3.26Å; M16-L18 PolarHBondContact O-N 2.84Å; M16-R19 WeakPolarHBondContact O-CB 3.21Å; M16-R19 PolarHBondContact O-N 2.97Å; M16-R19 PolarHBondContact SD-NH2 2.87Å; M16-D20 PolarHBondContact O-N 2.96Å; M16-D20 VanDerWaalsContact O-N 3.07Å
17	D	89.9	Confident	89	Confident	48 Å²	48	91 Å²	91	26%	0.257	43%	0.426	S	S	.	.	H	α-helix	trans	-57.6	-39.6	-178.5	-66.3	-0.2	0	0	0	111.5	Q13 L14 D20 R21 L89	Q13-D17 PolarHBondContact NE2-OD1 3.25Å; Q13-D17 PolarHBondContact O-N 3.42Å; Q13-D17 VanDerWaalsContact O-N 3.08Å; L14-D17 PolarHBondContact O-N 2.92Å; D17-D20 PolarHBondContact O-N 3.42Å; D17-R21 WeakPolarHBondContact O-CG 3.34Å; D17-R21 PolarHBondContact O-N 3.24Å; D17-L89 HydrophobicContact CB-CD2 3.82Å
18	L	92.3	Very high	89.9	Confident	34 Å²	34	87.4 Å²	87.4	18%	0.178	41%	0.413	C	S	.	.	H	α-helix	trans	-65.7	-40.8	174.9	-73.6	175.3	0	0	0	113	L14 M16 D20 R21 F22 I86 L89 V90	L14-L18 HydrophobicContact CD1-CD1 3.78Å; L14-L18 HydrophobicContact CD1-CD2 4.44Å; L14-L18 HydrophobicContact CD1-CG 3.8Å; L14-L18 HydrophobicContact CG-CD1 3.85Å; L14-L18 HydrophobicContact CG-CG 4.29Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.29Å; L14-L18 PolarHBondContact O-N 3.46Å; M16-L18 VanDerWaalsContact C-N 3.26Å; M16-L18 PolarHBondContact O-N 2.84Å; L18-D20 VanDerWaalsContact C-N 3.33Å; L18-D20 PolarHBondContact O-N 3.21Å; L18-R21 PolarHBondContact O-N 2.93Å; L18-F22 HydrophobicContact CB-CD2 4.22Å; L18-F22 HydrophobicContact CB-CE2 4.16Å; L18-F22 HydrophobicContact CD2-CE2 4.09Å; L18-F22 WeakPolarHBondContact O-CB 3.26Å; L18-F22 WeakPolarHBondContact O-CD2 3.4Å; L18-F22 WeakPolarHBondContact O-CG 3.43Å; L18-F22 PolarHBondContact O-N 3.45Å; L18-I86 HydrophobicContact CD2-CG2 4.1Å; L18-L89 HydrophobicContact CD2-CD2 4.18Å; L18-V90 HydrophobicContact CD2-CG2 3.84Å
19	R	94.3	Very high	90.8	Very high	134 Å²	134	85.2 Å²	85.2	51%	0.506	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-43.2	176.9	-81.8	-176.3	-60	-96.3	3.9	111.3	P15 M16 T23	P15-R19 VanDerWaalsContact O-CG 3.28Å; P15-R19 WeakPolarHBondContact O-CG 3.29Å; P15-R19 PolarHBondContact O-N 3.01Å; P15-R19 PolarHBondContact O-NE 3.21Å; P15-R19 PolarHBondContact O-NH1 3.2Å; M16-R19 WeakPolarHBondContact O-CB 3.21Å; M16-R19 PolarHBondContact O-N 2.97Å; M16-R19 PolarHBondContact SD-NH2 2.87Å; R19-T23 WeakPolarHBondContact O-CB 3.13Å; R19-T23 PolarHBondContact O-N 2.98Å; R19-T23 PolarHBondContact O-OG1 2.96Å
20	D	94.9	Very high	91.6	Very high	97 Å²	97	83 Å²	83	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-46.5	-179.3	-66.5	-8.2	0	0	0	110.3	M16 D17 L18 T23 E24	M16-D20 PolarHBondContact O-N 2.96Å; M16-D20 VanDerWaalsContact O-N 3.07Å; D17-D20 PolarHBondContact O-N 3.42Å; L18-D20 VanDerWaalsContact C-N 3.33Å; L18-D20 PolarHBondContact O-N 3.21Å; D20-T23 WeakPolarHBondContact O-CB 3.47Å; D20-T23 PolarHBondContact O-N 3.16Å; D20-E24 WeakPolarHBondContact O-CB 3.41Å; D20-E24 PolarHBondContact O-N 3.26Å
21	R	93.6	Very high	92.7	Very high	95 Å²	95	84.7 Å²	84.7	36%	0.358	40%	0.401	S	S	.	.	H	α-helix	trans	-68.9	-34.8	178.7	-60.6	-70.4	160.9	-158.9	-3.5	113.9	D17 L18 T23 E24 M25 I86	D17-R21 WeakPolarHBondContact O-CG 3.34Å; D17-R21 PolarHBondContact O-N 3.24Å; L18-R21 PolarHBondContact O-N 2.93Å; R21-T23 VanDerWaalsContact C-N 3.31Å; R21-E24 VanDerWaalsContact CD-OE2 3.26Å; R21-E24 WeakPolarHBondContact CD-OE2 3.18Å; R21-E24 IonicContact CZ-OE2 2.63Å; R21-E24 IonicContact NE-OE2 2.65Å; R21-E24 VanDerWaalsContact NH1-CD 3.29Å; R21-E24 IonicContact NH1-OE1 2.62Å; R21-E24 PolarHBondContact NH1-OE1 3.23Å; R21-E24 VanDerWaalsContact NH1-OE1 3.13Å; R21-E24 IonicContact NH1-OE2 2.79Å; R21-E24 PolarHBondContact NH1-OE2 2.88Å; R21-M25 VanDerWaalsContact O-CB 3.31Å; R21-M25 WeakPolarHBondContact O-CB 3.45Å; R21-M25 PolarHBondContact O-N 2.87Å; R21-I86 HydrophobicContact CB-CD1 3.84Å; R21-I86 HydrophobicContact CB-CG1 3.59Å; R21-I86 HydrophobicContact CG-CG1 4.36Å
22	F	96.4	Very high	93.4	Very high	112 Å²	112	83.6 Å²	83.6	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-71.5	-26.7	171.9	-74.6	-53.6	0	0	0	112.6	L18 M25 R26 I86	L18-F22 HydrophobicContact CB-CD2 4.22Å; L18-F22 HydrophobicContact CB-CE2 4.16Å; L18-F22 HydrophobicContact CD2-CE2 4.09Å; L18-F22 WeakPolarHBondContact O-CB 3.26Å; L18-F22 WeakPolarHBondContact O-CD2 3.4Å; L18-F22 WeakPolarHBondContact O-CG 3.43Å; L18-F22 PolarHBondContact O-N 3.45Å; F22-M25 HydrophobicContact CD1-SD 4.3Å; F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 PolarHBondContact O-N 3.25Å; F22-R26 VanDerWaalsContact O-N 3.11Å; F22-I86 HydrophobicContact CD1-CD1 4.11Å; F22-I86 HydrophobicContact CE1-CD1 4.19Å; F22-I86 HydrophobicContact CE1-CG2 4.18Å; F22-I86 HydrophobicContact CZ-CG2 4.08Å
23	T	96.4	Very high	94	Very high	93 Å²	93	81.7 Å²	81.7	57%	0.571	39%	0.388	S	S	*	.	H	α-helix	trans	-70.8	-47.7	172.3	-57.3	0	0	0	0	110.6	R19 D20 R21 M25 R26 E27	R19-T23 WeakPolarHBondContact O-CB 3.13Å; R19-T23 PolarHBondContact O-N 2.98Å; R19-T23 PolarHBondContact O-OG1 2.96Å; D20-T23 WeakPolarHBondContact O-CB 3.47Å; D20-T23 PolarHBondContact O-N 3.16Å; R21-T23 VanDerWaalsContact C-N 3.31Å; T23-M25 VanDerWaalsContact C-N 3.34Å; T23-M25 PolarHBondContact O-N 2.96Å; T23-R26 PolarHBondContact O-N 3.45Å; T23-R26 VanDerWaalsContact O-N 3.1Å; T23-E27 PolarHBondContact O-N 3.38Å
24	E	96.3	Very high	94.6	Very high	75 Å²	75	80.4 Å²	80.4	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-58.6	-42.7	173.9	-169.2	-176	-149.5	0	0	111.5	D20 R21 R26 E27 M28 L82	D20-E24 WeakPolarHBondContact O-CB 3.41Å; D20-E24 PolarHBondContact O-N 3.26Å; R21-E24 VanDerWaalsContact CD-OE2 3.26Å; R21-E24 WeakPolarHBondContact CD-OE2 3.18Å; R21-E24 IonicContact CZ-OE2 2.63Å; R21-E24 IonicContact NE-OE2 2.65Å; R21-E24 VanDerWaalsContact NH1-CD 3.29Å; R21-E24 IonicContact NH1-OE1 2.62Å; R21-E24 PolarHBondContact NH1-OE1 3.23Å; R21-E24 VanDerWaalsContact NH1-OE1 3.13Å; R21-E24 IonicContact NH1-OE2 2.79Å; R21-E24 PolarHBondContact NH1-OE2 2.88Å; E24-R26 VanDerWaalsContact C-N 3.31Å; E24-R26 PolarHBondContact O-N 2.88Å; E24-E27 PolarHBondContact O-N 3.42Å; E24-M28 WeakPolarHBondContact O-CG 3.43Å; E24-M28 PolarHBondContact O-N 2.9Å; E24-L82 HydrophobicContact CB-CD2 3.94Å; E24-L82 HydrophobicContact CG-CD2 3.64Å; E24-L82 WeakPolarHBondContact OE2-CD1 3.3Å
25	M	96.6	Very high	95.1	Very high	37 Å²	37	80 Å²	80	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-60.5	-39.4	173.9	174.1	172.1	-82.4	0	0	112.2	R21 F22 T23 M28 D29 L82 A83 I86	R21-M25 VanDerWaalsContact O-CB 3.31Å; R21-M25 WeakPolarHBondContact O-CB 3.45Å; R21-M25 PolarHBondContact O-N 2.87Å; F22-M25 HydrophobicContact CD1-SD 4.3Å; T23-M25 VanDerWaalsContact C-N 3.34Å; T23-M25 PolarHBondContact O-N 2.96Å; M25-M28 PolarHBondContact O-N 2.96Å; M25-D29 WeakPolarHBondContact O-CB 3.48Å; M25-D29 VanDerWaalsContact O-CG 3.29Å; M25-D29 PolarHBondContact O-N 3.38Å; M25-L82 HydrophobicContact CB-CD2 4.04Å; M25-A83 HydrophobicContact CE-CB 3.58Å; M25-I86 HydrophobicContact CB-CD1 4.43Å; M25-I86 HydrophobicContact CE-CD1 3.73Å; M25-I86 HydrophobicContact SD-CD1 4.26Å
26	R	97.4	Very high	95.4	Very high	186 Å²	186	81.3 Å²	81.3	70%	0.702	39%	0.387	S	S	*	.	H	α-helix	trans	-73.2	-27.8	178.3	-169.5	170.9	-173.8	76.7	3	112.8	F22 T23 E24 L30	F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 PolarHBondContact O-N 3.25Å; F22-R26 VanDerWaalsContact O-N 3.11Å; T23-R26 PolarHBondContact O-N 3.45Å; T23-R26 VanDerWaalsContact O-N 3.1Å; E24-R26 VanDerWaalsContact C-N 3.31Å; E24-R26 PolarHBondContact O-N 2.88Å; R26-L30 WeakPolarHBondContact O-CB 3.41Å; R26-L30 PolarHBondContact O-N 3.26Å
27	E	96.6	Very high	95.7	Very high	135 Å²	135	81 Å²	81	63%	0.631	39%	0.387	S	S	*	.	H	α-helix	trans	-70.1	-44	169.9	-172.4	162	-158.9	0	0	110.7	T23 E24 L30 Q31	T23-E27 PolarHBondContact O-N 3.38Å; E24-E27 PolarHBondContact O-N 3.42Å; E27-L30 PolarHBondContact O-N 3.5Å; E27-Q31 PolarHBondContact O-N 3.16Å
28	M	95.8	Very high	95.9	Very high	24 Å²	24	84.1 Å²	84.1	12%	0.118	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-40	173.7	-67.7	-58	-64.1	0	0	113.1	E24 M25 L30 Q31 V32 D75 E78 K79 L82	E24-M28 WeakPolarHBondContact O-CG 3.43Å; E24-M28 PolarHBondContact O-N 2.9Å; M25-M28 PolarHBondContact O-N 2.96Å; M28-L30 VanDerWaalsContact C-N 3.29Å; M28-L30 PolarHBondContact O-N 3.24Å; M28-Q31 PolarHBondContact O-N 3.45Å; M28-V32 WeakPolarHBondContact O-CG2 3.41Å; M28-V32 PolarHBondContact O-N 3.48Å; M28-D75 WeakPolarHBondContact CE-O 3.42Å; M28-E78 HydrophobicContact CE-CB 3.57Å; M28-K79 HydrophobicContact CB-CB 4.16Å; M28-L82 HydrophobicContact CG-CD2 4.32Å
29	D	96.8	Very high	96.1	Very high	52 Å²	52	83.1 Å²	83.1	28%	0.278	40%	0.395	S	S	.	.	H	α-helix	trans	-53.4	-48.6	170.7	-80.1	-27.7	0	0	0	111.1	M25 Q33 K79	M25-D29 WeakPolarHBondContact O-CB 3.48Å; M25-D29 VanDerWaalsContact O-CG 3.29Å; M25-D29 PolarHBondContact O-N 3.38Å; D29-Q33 WeakPolarHBondContact O-CB 3.48Å; D29-Q33 PolarHBondContact O-N 3.05Å; D29-K79 WeakPolarHBondContact OD1-CD 3.45Å; D29-K79 WeakPolarHBondContact OD1-CE 3.42Å; D29-K79 IonicContact OD1-NZ 3.36Å; D29-K79 PolarHBondContact OD1-NZ 2.89Å
30	L	97.1	Very high	96.2	Very high	100 Å²	100	83.5 Å²	83.5	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-70.4	-34.7	-178.9	-176.1	59.3	0	0	0	111.8	R26 E27 M28 N34	R26-L30 WeakPolarHBondContact O-CB 3.41Å; R26-L30 PolarHBondContact O-N 3.26Å; E27-L30 PolarHBondContact O-N 3.5Å; M28-L30 VanDerWaalsContact C-N 3.29Å; M28-L30 PolarHBondContact O-N 3.24Å; L30-N34 WeakPolarHBondContact CD1-ND2 3.37Å; L30-N34 WeakPolarHBondContact CG-ND2 3.42Å; L30-N34 VanDerWaalsContact O-CB 3.26Å; L30-N34 WeakPolarHBondContact O-CB 3.28Å; L30-N34 VanDerWaalsContact O-CG 3.27Å; L30-N34 PolarHBondContact O-N 2.9Å; L30-N34 PolarHBondContact O-ND2 2.89Å
31	Q	96.3	Very high	96.2	Very high	78 Å²	78	84.3 Å²	84.3	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-50.7	173.8	177.4	160.9	-47.8	0	0	111.4	E27 M28 Q33 N34 A35 D75	E27-Q31 PolarHBondContact O-N 3.16Å; M28-Q31 PolarHBondContact O-N 3.45Å; Q31-Q33 PolarHBondContact O-N 2.95Å; Q31-N34 PolarHBondContact O-N 3.21Å; Q31-A35 WeakPolarHBondContact O-CB 3.16Å; Q31-A35 PolarHBondContact O-N 3.32Å; Q31-D75 PolarHBondContact NE2-OD1 3.26Å
32	V	96.8	Very high	96.2	Very high	23 Å²	23	82.4 Å²	82.4	14%	0.139	40%	0.396	C	S	.	.	H	α-helix	trans	-60.6	-45.4	177.4	173.2	0	0	0	0	110.9	M28 A35 M36 D75 A76	M28-V32 WeakPolarHBondContact O-CG2 3.41Å; M28-V32 PolarHBondContact O-N 3.48Å; V32-A35 PolarHBondContact O-N 3.07Å; V32-M36 WeakPolarHBondContact O-CG 3.5Å; V32-M36 PolarHBondContact O-N 2.93Å; V32-D75 VanDerWaalsContact CG2-C 3.49Å; V32-D75 HydrophobicContact CG2-CB 3.76Å; V32-D75 WeakPolarHBondContact CG2-O 3.3Å; V32-A76 HydrophobicContact CG1-CB 4.3Å; V32-A76 HydrophobicContact CG2-CB 4.25Å
33	Q	96.9	Very high	96.1	Very high	117 Å²	117	79.3 Å²	79.3	55%	0.547	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-46.8	179.5	-172.8	164.6	2.8	0	0	111.9	D29 Q31 A35 M36 D37	D29-Q33 WeakPolarHBondContact O-CB 3.48Å; D29-Q33 PolarHBondContact O-N 3.05Å; Q31-Q33 PolarHBondContact O-N 2.95Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 2.95Å; Q33-M36 PolarHBondContact O-N 3.47Å; Q33-D37 VanDerWaalsContact O-CG 3.27Å; Q33-D37 PolarHBondContact O-N 3.43Å
34	N	96.7	Very high	96	Very high	75 Å²	75	78.2 Å²	78.2	40%	0.401	38%	0.382	S	S	.	.	H	α-helix	trans	-60.2	-35.3	174.8	-79	-53.6	0	0	0	112.7	L30 Q31 Q38	L30-N34 WeakPolarHBondContact CD1-ND2 3.37Å; L30-N34 WeakPolarHBondContact CG-ND2 3.42Å; L30-N34 VanDerWaalsContact O-CB 3.26Å; L30-N34 WeakPolarHBondContact O-CB 3.28Å; L30-N34 VanDerWaalsContact O-CG 3.27Å; L30-N34 PolarHBondContact O-N 2.9Å; L30-N34 PolarHBondContact O-ND2 2.89Å; Q31-N34 PolarHBondContact O-N 3.21Å; N34-Q38 WeakPolarHBondContact O-CB 3.46Å; N34-Q38 VanDerWaalsContact O-CG 3.24Å; N34-Q38 WeakPolarHBondContact O-CG 3.47Å; N34-Q38 PolarHBondContact O-N 3.41Å; N34-Q38 VanDerWaalsContact O-N 3.13Å; N34-Q38 PolarHBondContact O-NE2 3.31Å
35	A	95.6	Very high	95.8	Very high	19 Å²	19	78.7 Å²	78.7	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-68.7	-40.4	176.8	0	0	0	0	0	111.8	Q31 V32 Q33 L39 A72	Q31-A35 WeakPolarHBondContact O-CB 3.16Å; Q31-A35 PolarHBondContact O-N 3.32Å; V32-A35 PolarHBondContact O-N 3.07Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 2.95Å; A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 PolarHBondContact O-N 3.37Å; A35-A72 HydrophobicContact CB-CB 3.96Å
36	M	96.5	Very high	95.6	Very high	84 Å²	84	78.3 Å²	78.3	41%	0.414	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-44.8	175.4	-75.2	-55.6	-49.5	0	0	112.7	V32 Q33 Q38 L39 E40 A72	V32-M36 WeakPolarHBondContact O-CG 3.5Å; V32-M36 PolarHBondContact O-N 2.93Å; Q33-M36 PolarHBondContact O-N 3.47Å; M36-Q38 VanDerWaalsContact C-N 3.33Å; M36-Q38 PolarHBondContact O-N 3.41Å; M36-L39 HydrophobicContact CE-CD2 4.19Å; M36-L39 WeakPolarHBondContact O-CA 3.37Å; M36-L39 WeakPolarHBondContact O-CB 3.48Å; M36-L39 PolarHBondContact O-N 2.67Å; M36-L39 HydrophobicContact SD-CD2 4.31Å; M36-E40 PolarHBondContact O-N 2.78Å; M36-A72 HydrophobicContact SD-CB 4.03Å
37	D	96.3	Very high	95.2	Very high	82 Å²	82	76.2 Å²	76.2	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-41.6	177.8	-65.6	-8.2	0	0	0	110.9	Q33 L39 E40 Q41	Q33-D37 VanDerWaalsContact O-CG 3.27Å; Q33-D37 PolarHBondContact O-N 3.43Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.33Å; D37-E40 PolarHBondContact O-N 2.9Å; D37-Q41 WeakPolarHBondContact O-CB 3.41Å; D37-Q41 PolarHBondContact O-N 3.48Å
38	Q	95.1	Very high	94.9	Very high	114 Å²	114	75.8 Å²	75.8	53%	0.533	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-25	173.4	-76.6	171.9	78.4	0	0	113.8	N34 M36 R42	N34-Q38 WeakPolarHBondContact O-CB 3.46Å; N34-Q38 VanDerWaalsContact O-CG 3.24Å; N34-Q38 WeakPolarHBondContact O-CG 3.47Å; N34-Q38 PolarHBondContact O-N 3.41Å; N34-Q38 VanDerWaalsContact O-N 3.13Å; N34-Q38 PolarHBondContact O-NE2 3.31Å; M36-Q38 VanDerWaalsContact C-N 3.33Å; M36-Q38 PolarHBondContact O-N 3.41Å; Q38-R42 WeakPolarHBondContact O-CG 3.35Å; Q38-R42 PolarHBondContact O-N 3.01Å; Q38-R42 PolarHBondContact O-NE 2.89Å
39	L	95.8	Very high	94.5	Very high	13 Å²	13	76.9 Å²	76.9	7%	0.068	38%	0.384	C	S	.	.	H	α-helix	trans	-76.3	-48	173.3	-174.5	69.8	0	0	0	110.4	A35 M36 D37 Q41 R42 V43 I65 Y69	A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 PolarHBondContact O-N 3.37Å; M36-L39 HydrophobicContact CE-CD2 4.19Å; M36-L39 WeakPolarHBondContact O-CA 3.37Å; M36-L39 WeakPolarHBondContact O-CB 3.48Å; M36-L39 PolarHBondContact O-N 2.67Å; M36-L39 HydrophobicContact SD-CD2 4.31Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.09Å; L39-R42 PolarHBondContact O-N 2.9Å; L39-V43 HydrophobicContact CG-CG2 4.5Å; L39-V43 WeakPolarHBondContact O-CB 3.34Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 3.04Å; L39-I65 HydrophobicContact CD1-CB 4.5Å; L39-I65 HydrophobicContact CD1-CG2 3.9Å; L39-I65 WeakPolarHBondContact CD1-O 3.42Å; L39-Y69 HydrophobicContact CD2-CD2 3.73Å; L39-Y69 HydrophobicContact CD2-CG 4.3Å
40	E	95.6	Very high	93.7	Very high	142 Å²	142	75.5 Å²	75.5	66%	0.664	38%	0.38	S	S	*	.	H	α-helix	trans	-59.4	-44.9	177	-175.5	173.2	-164.4	0	0	111.3	M36 D37 R42 V43 S44	M36-E40 PolarHBondContact O-N 2.78Å; D37-E40 PolarHBondContact O-N 2.9Å; E40-R42 PolarHBondContact O-N 2.99Å; E40-V43 PolarHBondContact O-N 3.35Å; E40-S44 WeakPolarHBondContact O-CB 3.4Å; E40-S44 PolarHBondContact O-N 2.78Å
41	Q	95.6	Very high	93	Very high	115 Å²	115	80.3 Å²	80.3	54%	0.537	40%	0.396	S	S	.	.	H	α-helix	trans	-56.1	-48.7	176.1	-178	179.2	-19.6	0	0	111.6	D37 L39 S44 E45	D37-Q41 WeakPolarHBondContact O-CB 3.41Å; D37-Q41 PolarHBondContact O-N 3.48Å; L39-Q41 PolarHBondContact O-N 3.09Å; Q41-S44 WeakPolarHBondContact O-CB 3.47Å; Q41-S44 PolarHBondContact O-N 3.03Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.47Å; Q41-E45 PolarHBondContact NE2-OE1 3.13Å; Q41-E45 WeakPolarHBondContact O-CG 3.45Å; Q41-E45 PolarHBondContact O-N 2.75Å
42	R	93.6	Very high	92.4	Very high	55 Å²	55	84.1 Å²	84.1	21%	0.208	41%	0.412	C	S	.	.	H	α-helix	trans	-72.1	-30.1	-178.9	-71.2	178.4	-58.4	123.7	6.6	113.2	Q38 L39 E40 F46 S64 I65 D68	Q38-R42 WeakPolarHBondContact O-CG 3.35Å; Q38-R42 PolarHBondContact O-N 3.01Å; Q38-R42 PolarHBondContact O-NE 2.89Å; L39-R42 PolarHBondContact O-N 2.9Å; E40-R42 PolarHBondContact O-N 2.99Å; R42-F46 WeakPolarHBondContact O-CB 3.41Å; R42-F46 PolarHBondContact O-N 2.96Å; R42-S64 PolarHBondContact NH1-OG 3.02Å; R42-I65 HydrophobicContact CB-CG1 4.33Å; R42-D68 IonicContact CZ-OD2 3.56Å; R42-D68 IonicContact NH1-OD2 2.66Å; R42-D68 PolarHBondContact NH1-OD2 3.4Å; R42-D68 IonicContact NH2-OD2 3.8Å; R42-D68 PolarHBondContact NH2-OD2 3.35Å
43	V	94.6	Very high	91.8	Very high	47 Å²	47	86 Å²	86	29%	0.285	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-43.3	169.6	169.2	0	0	0	0	110.4	L39 E40 F46 F47 I65	L39-V43 HydrophobicContact CG-CG2 4.5Å; L39-V43 WeakPolarHBondContact O-CB 3.34Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.48Å; L39-V43 PolarHBondContact O-N 3.04Å; E40-V43 PolarHBondContact O-N 3.35Å; V43-F46 WeakPolarHBondContact O-CB 3.34Å; V43-F46 PolarHBondContact O-N 3.43Å; V43-F47 HydrophobicContact CG1-CD2 3.82Å; V43-F47 HydrophobicContact CG1-CE2 3.61Å; V43-F47 WeakPolarHBondContact O-CD2 3.28Å; V43-F47 PolarHBondContact O-N 3.42Å; V43-I65 HydrophobicContact CG2-CD1 4.28Å; V43-I65 HydrophobicContact CG2-CG2 3.7Å
44	S	94.2	Very high	91.5	Very high	69 Å²	69	87.7 Å²	87.7	48%	0.483	43%	0.427	S	S	.	.	H	α-helix	trans	-63.5	-48.8	175.5	-171.3	0	0	0	0	112.2	E40 Q41 F46 F47 M48	E40-S44 WeakPolarHBondContact O-CB 3.4Å; E40-S44 PolarHBondContact O-N 2.78Å; Q41-S44 WeakPolarHBondContact O-CB 3.47Å; Q41-S44 PolarHBondContact O-N 3.03Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 PolarHBondContact O-N 3.33Å; S44-F47 PolarHBondContact O-N 3.07Å; S44-M48 PolarHBondContact O-N 3.24Å
45	E	91.3	Very high	91	Very high	86 Å²	86	87.6 Å²	87.6	40%	0.402	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-39.9	175.3	-73.3	-179.5	-158.5	0	0	112.3	Q41 M48 N49	Q41-E45 WeakPolarHBondContact CG-OE1 3.47Å; Q41-E45 PolarHBondContact NE2-OE1 3.13Å; Q41-E45 WeakPolarHBondContact O-CG 3.45Å; Q41-E45 PolarHBondContact O-N 2.75Å; E45-M48 PolarHBondContact O-N 2.91Å; E45-N49 VanDerWaalsContact O-CB 3.29Å; E45-N49 WeakPolarHBondContact O-CB 3.3Å; E45-N49 PolarHBondContact O-N 3.22Å; E45-N49 PolarHBondContact O-ND2 3.02Å
46	F	92.3	Very high	90.7	Very high	28 Å²	28	93.7 Å²	93.7	12%	0.123	46%	0.455	C	S	.	.	H	α-helix	trans	-59	-49.7	173.2	172	-98.6	0	0	0	111	R42 V43 S44 M48 N49 A50 W57 R58 Q61 I65	R42-F46 WeakPolarHBondContact O-CB 3.41Å; R42-F46 PolarHBondContact O-N 2.96Å; V43-F46 WeakPolarHBondContact O-CB 3.34Å; V43-F46 PolarHBondContact O-N 3.43Å; S44-F46 VanDerWaalsContact C-N 3.33Å; S44-F46 PolarHBondContact O-N 3.33Å; F46-M48 PolarHBondContact O-N 3.26Å; F46-N49 PolarHBondContact O-N 3.17Å; F46-A50 WeakPolarHBondContact O-CA 3.48Å; F46-A50 WeakPolarHBondContact O-CB 3.48Å; F46-A50 PolarHBondContact O-N 2.84Å; F46-W57 HydrophobicContact CD2-CZ3 4.41Å; F46-R58 HydrophobicContact CE2-CB 4.01Å; F46-R58 HydrophobicContact CE2-CG 4.22Å; F46-R58 WeakPolarHBondContact CE2-O 3.1Å; F46-R58 HydrophobicContact CZ-CB 4.48Å; F46-Q61 HydrophobicContact CD2-CB 3.79Å; F46-Q61 HydrophobicContact CE2-CB 4.24Å; F46-I65 HydrophobicContact CB-CD1 3.71Å; F46-I65 HydrophobicContact CD2-CD1 4.32Å; F46-I65 HydrophobicContact CG-CD1 3.97Å
47	F	90	Very high	90.4	Very high	142 Å²	142	93 Å²	93	62%	0.623	45%	0.448	S	S	*	.	H	α-helix	trans	-65.8	-36.4	178.1	-77.1	-60.3	0	0	0	113.4	V43 S44 N49	V43-F47 HydrophobicContact CG1-CD2 3.82Å; V43-F47 HydrophobicContact CG1-CE2 3.61Å; V43-F47 WeakPolarHBondContact O-CD2 3.28Å; V43-F47 PolarHBondContact O-N 3.42Å; S44-F47 PolarHBondContact O-N 3.07Å; F47-N49 VanDerWaalsContact C-N 3.34Å; F47-N49 PolarHBondContact O-N 2.98Å
48	M	89.1	Confident	90	Very high	126 Å²	126	93.8 Å²	93.8	62%	0.621	45%	0.445	S	S	*	.	H	α-helix	trans	-63	-36.8	173.3	-94.1	178.5	44.6	0	0	113.2	S44 E45 F46	S44-M48 PolarHBondContact O-N 3.24Å; E45-M48 PolarHBondContact O-N 2.91Å; F46-M48 PolarHBondContact O-N 3.26Å
49	N	87.3	Confident	89.8	Confident	47 Å²	47	95 Å²	95	25%	0.251	45%	0.451	S	S	.	.	H	α-helix	trans	-100.7	-17.4	-172.6	-67	-27.8	0	0	0	113.9	E45 F46 F47 K51 K52 N53 W57	E45-N49 VanDerWaalsContact O-CB 3.29Å; E45-N49 WeakPolarHBondContact O-CB 3.3Å; E45-N49 PolarHBondContact O-N 3.22Å; E45-N49 PolarHBondContact O-ND2 3.02Å; F46-N49 PolarHBondContact O-N 3.17Å; F47-N49 VanDerWaalsContact C-N 3.34Å; F47-N49 PolarHBondContact O-N 2.98Å; N49-K51 PolarHBondContact O-N 3.02Å; N49-K51 VanDerWaalsContact O-N 3.14Å; N49-K52 PolarHBondContact O-N 3.18Å; N49-N53 PolarHBondContact O-N 3.29Å; N49-W57 HydrophobicContact CB-CH2 3.68Å; N49-W57 HydrophobicContact CB-CZ3 4.03Å
50	A	81.2	Confident	89.6	Confident	23 Å²	23	100.6 Å²	100.6	19%	0.19	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.5	-179.3	0	0	0	0	0	114	F46 K52 R58	F46-A50 WeakPolarHBondContact O-CA 3.48Å; F46-A50 WeakPolarHBondContact O-CB 3.48Å; F46-A50 PolarHBondContact O-N 2.84Å; A50-K52 VanDerWaalsContact C-N 3.32Å; A50-R58 HydrophobicContact CB-CG 4.33Å; A50-R58 WeakPolarHBondContact O-CD 3.37Å
51	K	81.6	Confident	89.5	Confident	202 Å²	202	96.2 Å²	96.2	88%	0.878	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.9	175	-67.5	-176.6	-179.4	175.7	0	114.1	N49	N49-K51 PolarHBondContact O-N 3.02Å; N49-K51 VanDerWaalsContact O-N 3.14Å
52	K	83.8	Confident	89.3	Confident	158 Å²	158	95.7 Å²	95.7	69%	0.687	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-27.6	-176.1	-60.6	171.8	-174.5	164.5	0	112.8	N49 A50	N49-K52 PolarHBondContact O-N 3.18Å; A50-K52 VanDerWaalsContact C-N 3.32Å
53	N	85.6	Confident	89.3	Confident	63 Å²	63	96 Å²	96	34%	0.337	47%	0.469	S	S	.	.	S	Bend	trans	-99.6	158.4	-169.1	-69.1	-5.8	0	0	0	113.7	N49 W57	N49-N53 PolarHBondContact O-N 3.29Å; N53-W57 HydrophobicContact CB-CB 4.47Å; N53-W57 HydrophobicContact CB-CD2 3.85Å; N53-W57 HydrophobicContact CB-CE3 3.39Å; N53-W57 HydrophobicContact CB-CG 4.34Å; N53-W57 HydrophobicContact CB-CZ3 3.93Å; N53-W57 VanDerWaalsContact ND2-CD2 3.29Å; N53-W57 VanDerWaalsContact ND2-CE2 3.35Å; N53-W57 VanDerWaalsContact ND2-CH2 3.29Å; N53-W57 WeakPolarHBondContact ND2-CH2 3.39Å; N53-W57 VanDerWaalsContact ND2-CZ2 3.34Å; N53-W57 WeakPolarHBondContact ND2-CZ2 3.27Å; N53-W57 WeakPolarHBondContact ND2-CZ3 3.38Å
54	K	90.3	Very high	89.4	Confident	152 Å²	152	95.9 Å²	95.9	66%	0.661	47%	0.47	S	S	*	.			trans	-61	154.3	177.8	-70.9	-179.2	178.3	179.9	0	112.2	E56 W57 R58	K54-E56 VanDerWaalsContact C-N 3.33Å; K54-E56 PolarHBondContact O-N 2.67Å; K54-W57 PolarHBondContact O-N 2.92Å; K54-R58 PolarHBondContact O-N 3.1Å
55	P	85.6	Confident	89.4	Confident	73 Å²	73	93.4 Å²	93.4	47%	0.474	45%	0.451	S	S	.	.	H	α-helix	trans	-57.7	-42.8	176.4	23.1	-33.6	0	0	0	112.9	W57 R58 E59	P55-W57 PolarHBondContact O-N 3.44Å; P55-R58 CarbonylContact O-C 3.56Å; P55-R58 WeakPolarHBondContact O-CA 3.32Å; P55-R58 WeakPolarHBondContact O-CB 3.29Å; P55-R58 PolarHBondContact O-N 3.18Å; P55-E59 PolarHBondContact O-N 3.44Å
56	E	89.3	Confident	89.6	Confident	146 Å²	146	94.6 Å²	94.6	68%	0.682	46%	0.455	S	S	*	.	H	α-helix	trans	-51.4	-48.2	176.1	-174.7	175	-145.3	0	0	112.8	K54 R58 E59 E60	K54-E56 VanDerWaalsContact C-N 3.33Å; K54-E56 PolarHBondContact O-N 2.67Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 2.89Å; E56-E59 PolarHBondContact O-N 3.08Å; E56-E60 PolarHBondContact O-N 3.39Å
57	W	90.6	Very high	89.8	Confident	71 Å²	71	100.2 Å²	100.2	27%	0.269	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-33.8	174.8	-179.1	87.5	0	0	0	112.6	F46 N49 N53 K54 P55 Q61	F46-W57 HydrophobicContact CD2-CZ3 4.41Å; N49-W57 HydrophobicContact CB-CH2 3.68Å; N49-W57 HydrophobicContact CB-CZ3 4.03Å; N53-W57 HydrophobicContact CB-CB 4.47Å; N53-W57 HydrophobicContact CB-CD2 3.85Å; N53-W57 HydrophobicContact CB-CE3 3.39Å; N53-W57 HydrophobicContact CB-CG 4.34Å; N53-W57 HydrophobicContact CB-CZ3 3.93Å; N53-W57 VanDerWaalsContact ND2-CD2 3.29Å; N53-W57 VanDerWaalsContact ND2-CE2 3.35Å; N53-W57 VanDerWaalsContact ND2-CH2 3.29Å; N53-W57 WeakPolarHBondContact ND2-CH2 3.39Å; N53-W57 VanDerWaalsContact ND2-CZ2 3.34Å; N53-W57 WeakPolarHBondContact ND2-CZ2 3.27Å; N53-W57 WeakPolarHBondContact ND2-CZ3 3.38Å; K54-W57 PolarHBondContact O-N 2.92Å; P55-W57 PolarHBondContact O-N 3.44Å; W57-Q61 HydrophobicContact CD2-CG 3.79Å; W57-Q61 VanDerWaalsContact CE2-CG 3.49Å; W57-Q61 HydrophobicContact CE3-CG 4.05Å; W57-Q61 HydrophobicContact CG-CG 4.43Å; W57-Q61 HydrophobicContact CH2-CG 3.82Å; W57-Q61 HydrophobicContact CZ2-CG 3.54Å; W57-Q61 HydrophobicContact CZ3-CG 4.06Å; W57-Q61 WeakPolarHBondContact O-CB 3.37Å; W57-Q61 VanDerWaalsContact O-CG 3.28Å; W57-Q61 WeakPolarHBondContact O-CG 3.39Å; W57-Q61 PolarHBondContact O-N 3.36Å
58	R	88.3	Confident	90	Very high	98 Å²	98	95.3 Å²	95.3	37%	0.37	46%	0.46	S	S	.	.	H	α-helix	trans	-68.1	-37.3	175.3	-69.7	-170	-71.5	110.6	-1.6	111.8	F46 A50 K54 P55 E56 M62	F46-R58 HydrophobicContact CE2-CB 4.01Å; F46-R58 HydrophobicContact CE2-CG 4.22Å; F46-R58 WeakPolarHBondContact CE2-O 3.1Å; F46-R58 HydrophobicContact CZ-CB 4.48Å; A50-R58 HydrophobicContact CB-CG 4.33Å; A50-R58 WeakPolarHBondContact O-CD 3.37Å; K54-R58 PolarHBondContact O-N 3.1Å; P55-R58 CarbonylContact O-C 3.56Å; P55-R58 WeakPolarHBondContact O-CA 3.32Å; P55-R58 WeakPolarHBondContact O-CB 3.29Å; P55-R58 PolarHBondContact O-N 3.18Å; E56-R58 VanDerWaalsContact C-N 3.34Å; E56-R58 PolarHBondContact O-N 2.89Å; R58-M62 WeakPolarHBondContact O-CB 3.43Å; R58-M62 PolarHBondContact O-N 3.24Å
59	E	90.4	Very high	90.4	Very high	140 Å²	140	94.8 Å²	94.8	65%	0.654	45%	0.452	S	S	*	.	H	α-helix	trans	-68.1	-42.8	176.5	-72.3	170.2	-156.8	0	0	111.2	P55 E56 M62 A63	P55-E59 PolarHBondContact O-N 3.44Å; E56-E59 PolarHBondContact O-N 3.08Å; E59-M62 PolarHBondContact O-N 2.83Å; E59-A63 WeakPolarHBondContact O-CB 3.32Å; E59-A63 PolarHBondContact O-N 2.79Å
60	E	92.2	Very high	90.8	Very high	129 Å²	129	98.1 Å²	98.1	60%	0.603	46%	0.462	S	S	*	.	H	α-helix	trans	-61.4	-47.9	174.3	-175.6	177.3	-134.7	0	0	112.5	E56 A63 S64	E56-E60 PolarHBondContact O-N 3.39Å; E60-A63 WeakPolarHBondContact O-CB 3.07Å; E60-A63 PolarHBondContact O-N 3.48Å; E60-S64 PolarHBondContact O-N 3.3Å
61	Q	92.6	Very high	91.5	Very high	50 Å²	50	101.4 Å²	101.4	23%	0.234	47%	0.472	C	S	.	.	H	α-helix	trans	-66.7	-39.1	177.8	-68.6	-58.7	-44.7	0	0	112.6	F46 W57 A63 S64 I65	F46-Q61 HydrophobicContact CD2-CB 3.79Å; F46-Q61 HydrophobicContact CE2-CB 4.24Å; W57-Q61 HydrophobicContact CD2-CG 3.79Å; W57-Q61 VanDerWaalsContact CE2-CG 3.49Å; W57-Q61 HydrophobicContact CE3-CG 4.05Å; W57-Q61 HydrophobicContact CG-CG 4.43Å; W57-Q61 HydrophobicContact CH2-CG 3.82Å; W57-Q61 HydrophobicContact CZ2-CG 3.54Å; W57-Q61 HydrophobicContact CZ3-CG 4.06Å; W57-Q61 WeakPolarHBondContact O-CB 3.37Å; W57-Q61 VanDerWaalsContact O-CG 3.28Å; W57-Q61 WeakPolarHBondContact O-CG 3.39Å; W57-Q61 PolarHBondContact O-N 3.36Å; Q61-A63 VanDerWaalsContact C-N 3.27Å; Q61-A63 PolarHBondContact O-N 3.38Å; Q61-S64 PolarHBondContact O-N 3.35Å; Q61-I65 WeakPolarHBondContact O-CB 3.37Å; Q61-I65 VanDerWaalsContact O-CG1 3.32Å; Q61-I65 WeakPolarHBondContact O-CG1 3.24Å; Q61-I65 PolarHBondContact O-N 2.69Å
62	M	91	Very high	92.2	Very high	105 Å²	105	92 Å²	92	52%	0.517	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-36.4	174.1	-171.5	67.9	-170.7	0	0	111.4	R58 E59 K66	R58-M62 WeakPolarHBondContact O-CB 3.43Å; R58-M62 PolarHBondContact O-N 3.24Å; E59-M62 PolarHBondContact O-N 2.83Å; M62-K66 VanDerWaalsContact O-CB 3.26Å; M62-K66 WeakPolarHBondContact O-CB 3.26Å; M62-K66 PolarHBondContact O-N 2.91Å
63	A	94.8	Very high	92.8	Very high	61 Å²	61	88 Å²	88	50%	0.504	42%	0.417	S	S	.	.	H	α-helix	trans	-67	-40.9	174.2	0	0	0	0	0	112.4	E59 E60 Q61 K67	E59-A63 WeakPolarHBondContact O-CB 3.32Å; E59-A63 PolarHBondContact O-N 2.79Å; E60-A63 WeakPolarHBondContact O-CB 3.07Å; E60-A63 PolarHBondContact O-N 3.48Å; Q61-A63 VanDerWaalsContact C-N 3.27Å; Q61-A63 PolarHBondContact O-N 3.38Å; A63-K67 WeakPolarHBondContact O-CB 3.35Å; A63-K67 PolarHBondContact O-N 3.3Å
64	S	95	Very high	93.3	Very high	45 Å²	45	90.7 Å²	90.7	32%	0.315	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-54	172.9	-168.1	0	0	0	0	111.2	R42 E60 Q61 K66 K67 D68	R42-S64 PolarHBondContact NH1-OG 3.02Å; E60-S64 PolarHBondContact O-N 3.3Å; Q61-S64 PolarHBondContact O-N 3.35Å; S64-K66 PolarHBondContact O-N 2.63Å; S64-K67 WeakPolarHBondContact O-CB 3.33Å; S64-K67 PolarHBondContact O-N 3.18Å; S64-D68 PolarHBondContact O-N 3.42Å; S64-D68 PolarHBondContact OG-OD2 3.05Å
65	I	95.6	Very high	93.5	Very high	16 Å²	16	83.8 Å²	83.8	8%	0.082	40%	0.398	C	S	.	.	H	α-helix	trans	-52.4	-44.6	178.6	-72	167.5	0	0	0	110.6	L39 R42 V43 F46 Q61 D68 Y69	L39-I65 HydrophobicContact CD1-CB 4.5Å; L39-I65 HydrophobicContact CD1-CG2 3.9Å; L39-I65 WeakPolarHBondContact CD1-O 3.42Å; R42-I65 HydrophobicContact CB-CG1 4.33Å; V43-I65 HydrophobicContact CG2-CD1 4.28Å; V43-I65 HydrophobicContact CG2-CG2 3.7Å; F46-I65 HydrophobicContact CB-CD1 3.71Å; F46-I65 HydrophobicContact CD2-CD1 4.32Å; F46-I65 HydrophobicContact CG-CD1 3.97Å; Q61-I65 WeakPolarHBondContact O-CB 3.37Å; Q61-I65 VanDerWaalsContact O-CG1 3.32Å; Q61-I65 WeakPolarHBondContact O-CG1 3.24Å; Q61-I65 PolarHBondContact O-N 2.69Å; I65-D68 PolarHBondContact O-N 3.29Å; I65-Y69 WeakPolarHBondContact O-CB 3.33Å; I65-Y69 PolarHBondContact O-N 3.37Å
66	K	95.3	Very high	94	Very high	111 Å²	111	81.8 Å²	81.8	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-65.8	-41.6	177	-168.7	179.3	-174.2	-170.2	0	113.3	M62 S64 Y70	M62-K66 VanDerWaalsContact O-CB 3.26Å; M62-K66 WeakPolarHBondContact O-CB 3.26Å; M62-K66 PolarHBondContact O-N 2.91Å; S64-K66 PolarHBondContact O-N 2.63Å; K66-Y70 HydrophobicContact CD-CE2 4.19Å; K66-Y70 WeakPolarHBondContact CE-OH 3.48Å; K66-Y70 HydrophobicContact CG-CD2 4.3Å; K66-Y70 HydrophobicContact CG-CE2 3.78Å; K66-Y70 WeakPolarHBondContact O-CD2 3.42Å; K66-Y70 PolarHBondContact O-N 2.96Å
67	K	96.1	Very high	94.4	Very high	146 Å²	146	79 Å²	79	64%	0.635	38%	0.378	S	S	*	.	H	α-helix	trans	-60.5	-47.3	176	-178.7	-158.7	170.9	-158	0	110.9	A63 S64 Y70 K71	A63-K67 WeakPolarHBondContact O-CB 3.35Å; A63-K67 PolarHBondContact O-N 3.3Å; S64-K67 WeakPolarHBondContact O-CB 3.33Å; S64-K67 PolarHBondContact O-N 3.18Å; K67-Y70 PolarHBondContact O-N 2.93Å; K67-K71 PolarHBondContact O-N 3.43Å
68	D	94.8	Very high	94.7	Very high	39 Å²	39	80.7 Å²	80.7	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-77.3	-25.2	-173.3	-54.5	-44.7	0	0	0	111.7	R42 S64 I65 K71 A72	R42-D68 IonicContact CZ-OD2 3.56Å; R42-D68 IonicContact NH1-OD2 2.66Å; R42-D68 PolarHBondContact NH1-OD2 3.4Å; R42-D68 IonicContact NH2-OD2 3.8Å; R42-D68 PolarHBondContact NH2-OD2 3.35Å; S64-D68 PolarHBondContact O-N 3.42Å; S64-D68 PolarHBondContact OG-OD2 3.05Å; I65-D68 PolarHBondContact O-N 3.29Å; D68-K71 PolarHBondContact O-N 2.86Å; D68-A72 PolarHBondContact O-N 3.16Å
69	Y	96.5	Very high	95.1	Very high	116 Å²	116	79.4 Å²	79.4	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-44.4	164.4	173	-100.5	0	0	0	112.2	L39 I65 K71 A72 L73	L39-Y69 HydrophobicContact CD2-CD2 3.73Å; L39-Y69 HydrophobicContact CD2-CG 4.3Å; I65-Y69 WeakPolarHBondContact O-CB 3.33Å; I65-Y69 PolarHBondContact O-N 3.37Å; Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 2.94Å; Y69-A72 PolarHBondContact O-N 3.27Å; Y69-L73 PolarHBondContact O-N 3.41Å; Y69-L73 VanDerWaalsContact O-N 3.07Å
70	Y	96.5	Very high	95.4	Very high	117 Å²	117	76.5 Å²	76.5	46%	0.459	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-39.2	173.7	-69.8	-54.1	0	0	0	111.8	K66 K67 A72 L73 E74	K66-Y70 HydrophobicContact CD-CE2 4.19Å; K66-Y70 WeakPolarHBondContact CE-OH 3.48Å; K66-Y70 HydrophobicContact CG-CD2 4.3Å; K66-Y70 HydrophobicContact CG-CE2 3.78Å; K66-Y70 WeakPolarHBondContact O-CD2 3.42Å; K66-Y70 PolarHBondContact O-N 2.96Å; K67-Y70 PolarHBondContact O-N 2.93Å; Y70-A72 PolarHBondContact O-N 3.48Å; Y70-L73 WeakPolarHBondContact O-CB 3.47Å; Y70-L73 PolarHBondContact O-N 3.29Å; Y70-L73 VanDerWaalsContact O-N 3.16Å; Y70-E74 WeakPolarHBondContact O-CG 3.4Å; Y70-E74 PolarHBondContact O-N 2.93Å
71	K	95.4	Very high	95.6	Very high	91 Å²	91	75.6 Å²	75.6	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-43.9	174.4	-165.2	-151.1	171.3	-67.1	0	112.1	K67 D68 Y69 L73 E74 D75	K67-K71 PolarHBondContact O-N 3.43Å; D68-K71 PolarHBondContact O-N 2.86Å; Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 2.94Å; K71-L73 PolarHBondContact O-N 3.45Å; K71-E74 WeakPolarHBondContact O-CB 3.48Å; K71-E74 PolarHBondContact O-N 2.99Å; K71-D75 IonicContact NZ-OD1 2.69Å; K71-D75 PolarHBondContact NZ-OD1 2.65Å; K71-D75 IonicContact NZ-OD2 3.13Å; K71-D75 PolarHBondContact NZ-OD2 2.77Å; K71-D75 PolarHBondContact O-N 3.2Å; K71-D75 VanDerWaalsContact O-OD2 3.12Å
72	A	95.9	Very high	95.8	Very high	5 Å²	5	73.7 Å²	73.7	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-26.5	176.7	0	0	0	0	0	112.8	A35 M36 D68 Y69 Y70 A76	A35-A72 HydrophobicContact CB-CB 3.96Å; M36-A72 HydrophobicContact SD-CB 4.03Å; D68-A72 PolarHBondContact O-N 3.16Å; Y69-A72 PolarHBondContact O-N 3.27Å; Y70-A72 PolarHBondContact O-N 3.48Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 2.8Å
73	L	96.8	Very high	96.1	Very high	74 Å²	74	70.6 Å²	70.6	39%	0.387	36%	0.356	S	S	.	.	H	α-helix	trans	-77	-40.9	172.8	-170.3	148.5	0	0	0	111.6	Y69 Y70 K71 A76 D77	Y69-L73 PolarHBondContact O-N 3.41Å; Y69-L73 VanDerWaalsContact O-N 3.07Å; Y70-L73 WeakPolarHBondContact O-CB 3.47Å; Y70-L73 PolarHBondContact O-N 3.29Å; Y70-L73 VanDerWaalsContact O-N 3.16Å; K71-L73 PolarHBondContact O-N 3.45Å; L73-A76 PolarHBondContact O-N 3.2Å; L73-A76 VanDerWaalsContact O-N 3.17Å; L73-D77 PolarHBondContact O-N 3.09Å
74	E	96.3	Very high	96.1	Very high	119 Å²	119	72 Å²	72	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-59.2	-47	170.4	-69.3	167.1	169.6	0	0	111.2	Y70 K71 A76 D77 E78	Y70-E74 WeakPolarHBondContact O-CG 3.4Å; Y70-E74 PolarHBondContact O-N 2.93Å; K71-E74 WeakPolarHBondContact O-CB 3.48Å; K71-E74 PolarHBondContact O-N 2.99Å; E74-A76 PolarHBondContact O-N 3.39Å; E74-D77 PolarHBondContact O-N 3.09Å; E74-E78 PolarHBondContact O-N 3.03Å
75	D	95.3	Very high	96.2	Very high	7 Å²	7	74.5 Å²	74.5	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-56.3	-36.4	174.1	-67	-43.1	0	0	0	111.8	M28 Q31 V32 K71 K79	M28-D75 WeakPolarHBondContact CE-O 3.42Å; Q31-D75 PolarHBondContact NE2-OD1 3.26Å; V32-D75 VanDerWaalsContact CG2-C 3.49Å; V32-D75 HydrophobicContact CG2-CB 3.76Å; V32-D75 WeakPolarHBondContact CG2-O 3.3Å; K71-D75 IonicContact NZ-OD1 2.69Å; K71-D75 PolarHBondContact NZ-OD1 2.65Å; K71-D75 IonicContact NZ-OD2 3.13Å; K71-D75 PolarHBondContact NZ-OD2 2.77Å; K71-D75 PolarHBondContact O-N 3.2Å; K71-D75 VanDerWaalsContact O-OD2 3.12Å; D75-K79 PolarHBondContact O-N 3.31Å
76	A	96.5	Very high	96.1	Very high	31 Å²	31	74.4 Å²	74.4	26%	0.256	36%	0.361	S	S	.	.	H	α-helix	trans	-77.9	-36.6	179.8	0	0	0	0	0	113	V32 A72 L73 E74 E78 K79 V80	V32-A76 HydrophobicContact CG1-CB 4.3Å; V32-A76 HydrophobicContact CG2-CB 4.25Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 2.8Å; L73-A76 PolarHBondContact O-N 3.2Å; L73-A76 VanDerWaalsContact O-N 3.17Å; E74-A76 PolarHBondContact O-N 3.39Å; A76-E78 VanDerWaalsContact C-N 3.34Å; A76-K79 WeakPolarHBondContact O-CB 3.1Å; A76-K79 PolarHBondContact O-N 3.18Å; A76-V80 WeakPolarHBondContact O-CG2 3.48Å; A76-V80 PolarHBondContact O-N 3.3Å
77	D	97.3	Very high	96.1	Very high	88 Å²	88	76.9 Å²	76.9	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-34	174	-80.3	-21.8	0	0	0	111.6	L73 E74 V80 Q81	L73-D77 PolarHBondContact O-N 3.09Å; E74-D77 PolarHBondContact O-N 3.09Å; D77-V80 PolarHBondContact O-N 3.11Å; D77-Q81 WeakPolarHBondContact O-CG 3.39Å; D77-Q81 PolarHBondContact O-N 3.31Å; D77-Q81 PolarHBondContact O-NE2 2.99Å; D77-Q81 VanDerWaalsContact O-NE2 3.07Å
78	E	96.1	Very high	96.1	Very high	106 Å²	106	74 Å²	74	50%	0.495	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-43.1	171.3	-73.5	-175.3	173.2	0	0	111.8	M28 E74 A76 V80 Q81 L82	M28-E78 HydrophobicContact CE-CB 3.57Å; E74-E78 PolarHBondContact O-N 3.03Å; A76-E78 VanDerWaalsContact C-N 3.34Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.4Å; E78-Q81 WeakPolarHBondContact O-CB 3.49Å; E78-Q81 PolarHBondContact O-N 3Å; E78-L82 PolarHBondContact O-N 2.97Å
79	K	96.1	Very high	96	Very high	72 Å²	72	73.1 Å²	73.1	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-57	-42.5	171.4	166.8	179.1	162.8	171.3	0	112.3	M28 D29 D75 A76 L82 A83	M28-K79 HydrophobicContact CB-CB 4.16Å; D29-K79 WeakPolarHBondContact OD1-CD 3.45Å; D29-K79 WeakPolarHBondContact OD1-CE 3.42Å; D29-K79 IonicContact OD1-NZ 3.36Å; D29-K79 PolarHBondContact OD1-NZ 2.89Å; D75-K79 PolarHBondContact O-N 3.31Å; A76-K79 WeakPolarHBondContact O-CB 3.1Å; A76-K79 PolarHBondContact O-N 3.18Å; K79-L82 PolarHBondContact O-N 3.27Å; K79-A83 PolarHBondContact O-N 3.03Å
80	V	97.6	Very high	95.8	Very high	79 Å²	79	70.6 Å²	70.6	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-66.1	-40.4	177	170.9	0	0	0	0	111.1	A76 D77 E78 L82 A83 N84	A76-V80 WeakPolarHBondContact O-CG2 3.48Å; A76-V80 PolarHBondContact O-N 3.3Å; D77-V80 PolarHBondContact O-N 3.11Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.4Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.33Å; V80-A83 PolarHBondContact O-N 3.24Å; V80-N84 PolarHBondContact O-N 3.26Å; V80-N84 VanDerWaalsContact O-N 3.16Å; V80-N84 PolarHBondContact O-ND2 3.36Å
81	Q	96.8	Very high	95.7	Very high	110 Å²	110	66.9 Å²	66.9	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-42	174.3	-73.1	166.9	76.4	0	0	112	D77 E78 N84 Q85	D77-Q81 WeakPolarHBondContact O-CG 3.39Å; D77-Q81 PolarHBondContact O-N 3.31Å; D77-Q81 PolarHBondContact O-NE2 2.99Å; D77-Q81 VanDerWaalsContact O-NE2 3.07Å; E78-Q81 WeakPolarHBondContact O-CB 3.49Å; E78-Q81 PolarHBondContact O-N 3Å; Q81-N84 PolarHBondContact O-N 3.13Å; Q81-Q85 WeakPolarHBondContact O-CG 3.47Å; Q81-Q85 PolarHBondContact O-N 3.47Å
82	L	96.4	Very high	95.5	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.047	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-38.1	176.5	-179.7	58.4	0	0	0	112.8	E24 M25 M28 E78 K79 V80 N84 Q85 I86	E24-L82 HydrophobicContact CB-CD2 3.94Å; E24-L82 HydrophobicContact CG-CD2 3.64Å; E24-L82 WeakPolarHBondContact OE2-CD1 3.3Å; M25-L82 HydrophobicContact CB-CD2 4.04Å; M28-L82 HydrophobicContact CG-CD2 4.32Å; E78-L82 PolarHBondContact O-N 2.97Å; K79-L82 PolarHBondContact O-N 3.27Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.33Å; L82-N84 VanDerWaalsContact C-N 3.31Å; L82-N84 PolarHBondContact O-N 2.93Å; L82-Q85 PolarHBondContact O-N 2.72Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 2.91Å
83	A	96.6	Very high	95.1	Very high	41 Å²	41	70 Å²	70	34%	0.339	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-41.7	173.6	0	0	0	0	0	112.3	M25 K79 V80 I86 Y87	M25-A83 HydrophobicContact CE-CB 3.58Å; K79-A83 PolarHBondContact O-N 3.03Å; V80-A83 PolarHBondContact O-N 3.24Å; A83-I86 PolarHBondContact O-N 3.07Å; A83-Y87 PolarHBondContact O-N 2.99Å; A83-Y87 VanDerWaalsContact O-N 3.11Å
84	N	96.6	Very high	94.8	Very high	89 Å²	89	70.9 Å²	70.9	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-65.2	-40.4	174.3	-69.5	-68.4	0	0	0	111.9	V80 Q81 L82 I86 Y87 D88	V80-N84 PolarHBondContact O-N 3.26Å; V80-N84 VanDerWaalsContact O-N 3.16Å; V80-N84 PolarHBondContact O-ND2 3.36Å; Q81-N84 PolarHBondContact O-N 3.13Å; L82-N84 VanDerWaalsContact C-N 3.31Å; L82-N84 PolarHBondContact O-N 2.93Å; N84-I86 VanDerWaalsContact C-N 3.3Å; N84-I86 PolarHBondContact O-N 2.81Å; N84-Y87 PolarHBondContact O-N 3.02Å; N84-Y87 VanDerWaalsContact O-N 3.16Å; N84-D88 WeakPolarHBondContact O-CB 3.44Å; N84-D88 PolarHBondContact O-N 2.84Å
85	Q	95.4	Very high	94.6	Very high	99 Å²	99	72 Å²	72	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-35.5	175.9	-69.7	174.6	44.6	0	0	113.1	Q81 L82 L89	Q81-Q85 WeakPolarHBondContact O-CG 3.47Å; Q81-Q85 PolarHBondContact O-N 3.47Å; L82-Q85 PolarHBondContact O-N 2.72Å; Q85-L89 WeakPolarHBondContact O-CB 3.47Å; Q85-L89 PolarHBondContact O-N 2.82Å
86	I	94.6	Very high	94.2	Very high	13 Å²	13	76.4 Å²	76.4	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-67.5	-44.3	173.8	-67.3	170.2	0	0	0	110.6	L18 R21 F22 M25 L82 A83 N84 L89 V90	L18-I86 HydrophobicContact CD2-CG2 4.1Å; R21-I86 HydrophobicContact CB-CD1 3.84Å; R21-I86 HydrophobicContact CB-CG1 3.59Å; R21-I86 HydrophobicContact CG-CG1 4.36Å; F22-I86 HydrophobicContact CD1-CD1 4.11Å; F22-I86 HydrophobicContact CE1-CD1 4.19Å; F22-I86 HydrophobicContact CE1-CG2 4.18Å; F22-I86 HydrophobicContact CZ-CG2 4.08Å; M25-I86 HydrophobicContact CB-CD1 4.43Å; M25-I86 HydrophobicContact CE-CD1 3.73Å; M25-I86 HydrophobicContact SD-CD1 4.26Å; L82-I86 WeakPolarHBondContact O-CG1 3.37Å; L82-I86 PolarHBondContact O-N 2.91Å; A83-I86 PolarHBondContact O-N 3.07Å; N84-I86 VanDerWaalsContact C-N 3.3Å; N84-I86 PolarHBondContact O-N 2.81Å; I86-L89 WeakPolarHBondContact O-CB 3.43Å; I86-L89 PolarHBondContact O-N 3.27Å; I86-V90 WeakPolarHBondContact O-CG2 3.48Å; I86-V90 PolarHBondContact O-N 2.89Å
87	Y	95.1	Very high	93.8	Very high	164 Å²	164	76.6 Å²	76.6	64%	0.643	37%	0.368	S	S	*	.	H	α-helix	trans	-60.9	-49.2	176.4	-172.1	-89.3	0	0	0	111.6	A83 N84 L89 V90 D91	A83-Y87 PolarHBondContact O-N 2.99Å; A83-Y87 VanDerWaalsContact O-N 3.11Å; N84-Y87 PolarHBondContact O-N 3.02Å; N84-Y87 VanDerWaalsContact O-N 3.16Å; Y87-L89 PolarHBondContact O-N 3.29Å; Y87-V90 PolarHBondContact O-N 2.96Å; Y87-V90 VanDerWaalsContact O-N 3.17Å; Y87-D91 WeakPolarHBondContact O-CB 3.42Å; Y87-D91 PolarHBondContact O-N 3.37Å
88	D	95.4	Very high	93.4	Very high	85 Å²	85	76.6 Å²	76.6	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-24.2	177	-75.6	-13.6	0	0	0	113.1	N84 R92	N84-D88 WeakPolarHBondContact O-CB 3.44Å; N84-D88 PolarHBondContact O-N 2.84Å; D88-R92 VanDerWaalsContact C-NH2 3.35Å; D88-R92 WeakPolarHBondContact O-CB 3.31Å; D88-R92 PolarHBondContact O-N 3.21Å; D88-R92 PolarHBondContact O-NE 2.84Å; D88-R92 PolarHBondContact O-NH2 3.17Å; D88-R92 VanDerWaalsContact O-NH2 3.09Å
89	L	92.2	Very high	93	Very high	20 Å²	20	77.7 Å²	77.7	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-73.5	-52	172.1	178.6	67.9	0	0	0	110.3	L14 D17 L18 Q85 I86 Y87 D91 R92 H93	L14-L89 HydrophobicContact CD1-CD2 4.37Å; L14-L89 HydrophobicContact CD1-CG 4.24Å; D17-L89 HydrophobicContact CB-CD2 3.82Å; L18-L89 HydrophobicContact CD2-CD2 4.18Å; Q85-L89 WeakPolarHBondContact O-CB 3.47Å; Q85-L89 PolarHBondContact O-N 2.82Å; I86-L89 WeakPolarHBondContact O-CB 3.43Å; I86-L89 PolarHBondContact O-N 3.27Å; Y87-L89 PolarHBondContact O-N 3.29Å; L89-D91 PolarHBondContact O-N 3.37Å; L89-R92 PolarHBondContact O-N 3.21Å; L89-H93 PolarHBondContact O-CD2 3.23Å; L89-H93 PolarHBondContact O-N 2.81Å; L89-H93 VanDerWaalsContact O-N 3.09Å
90	V	92.7	Very high	92.5	Very high	63 Å²	63	77.2 Å²	77.2	38%	0.382	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-46.1	-179.9	175.4	0	0	0	0	111.1	L18 I86 Y87 R92 H93 L94	L18-V90 HydrophobicContact CD2-CG2 3.84Å; I86-V90 WeakPolarHBondContact O-CG2 3.48Å; I86-V90 PolarHBondContact O-N 2.89Å; Y87-V90 PolarHBondContact O-N 2.96Å; Y87-V90 VanDerWaalsContact O-N 3.17Å; V90-R92 VanDerWaalsContact C-N 3.34Å; V90-R92 PolarHBondContact O-N 3.16Å; V90-H93 PolarHBondContact O-N 3.11Å; V90-H93 VanDerWaalsContact O-N 3.12Å; V90-L94 WeakPolarHBondContact O-CB 3.45Å; V90-L94 PolarHBondContact O-N 2.92Å
91	D	93.9	Very high	91.9	Very high	39 Å²	39	78.7 Å²	78.7	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-60	-40.3	177.1	176.2	53.5	0	0	0	112.2	Y87 L89 H93 L94 R95	Y87-D91 WeakPolarHBondContact O-CB 3.42Å; Y87-D91 PolarHBondContact O-N 3.37Å; L89-D91 PolarHBondContact O-N 3.37Å; D91-H93 PolarHBondContact O-N 3.29Å; D91-L94 PolarHBondContact O-N 2.82Å; D91-R95 WeakPolarHBondContact O-CB 3.42Å; D91-R95 VanDerWaalsContact O-CG 3.28Å; D91-R95 WeakPolarHBondContact O-CG 3.17Å; D91-R95 PolarHBondContact O-N 3.04Å; D91-R95 IonicContact OD1-CZ 2.64Å; D91-R95 IonicContact OD1-NE 3.2Å; D91-R95 PolarHBondContact OD1-NE 3.38Å; D91-R95 IonicContact OD1-NH2 3.96Å; D91-R95 PolarHBondContact OD1-NH2 2.93Å; D91-R95 IonicContact OD2-CZ 3.41Å; D91-R95 IonicContact OD2-NE 2.67Å; D91-R95 PolarHBondContact OD2-NE 3.04Å; D91-R95 IonicContact OD2-NH2 2.67Å; D91-R95 PolarHBondContact OD2-NH2 3.18Å
92	R	91.1	Very high	91.4	Very high	139 Å²	139	76.2 Å²	76.2	53%	0.525	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-37.1	173.4	-93.8	176.4	-69.2	150.5	2.4	113.3	D88 L89 V90 K96	D88-R92 VanDerWaalsContact C-NH2 3.35Å; D88-R92 WeakPolarHBondContact O-CB 3.31Å; D88-R92 PolarHBondContact O-N 3.21Å; D88-R92 PolarHBondContact O-NE 2.84Å; D88-R92 PolarHBondContact O-NH2 3.17Å; D88-R92 VanDerWaalsContact O-NH2 3.09Å; L89-R92 PolarHBondContact O-N 3.21Å; V90-R92 VanDerWaalsContact C-N 3.34Å; V90-R92 PolarHBondContact O-N 3.16Å; R92-K96 WeakPolarHBondContact O-CB 3.41Å; R92-K96 VanDerWaalsContact O-CG 3.26Å; R92-K96 WeakPolarHBondContact O-CG 3.43Å; R92-K96 PolarHBondContact O-N 3.39Å
93	H	88.9	Confident	90.9	Very high	22 Å²	22	79.8 Å²	79.8	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-73.4	-43	175.9	-82.2	-101.4	0	0	0	111.4	M10 L14 L89 V90 D91 R95 K96 L97	M10-H93 PolarHBondContact O-ND1 2.69Å; L14-H93 HydrophobicContact CD1-CB 4.32Å; L14-H93 HydrophobicContact CD2-CB 3.9Å; L89-H93 PolarHBondContact O-CD2 3.23Å; L89-H93 PolarHBondContact O-N 2.81Å; L89-H93 VanDerWaalsContact O-N 3.09Å; V90-H93 PolarHBondContact O-N 3.11Å; V90-H93 VanDerWaalsContact O-N 3.12Å; D91-H93 PolarHBondContact O-N 3.29Å; H93-R95 PolarHBondContact O-N 3.35Å; H93-K96 WeakPolarHBondContact O-CB 3.45Å; H93-K96 PolarHBondContact O-N 3.22Å; H93-K96 VanDerWaalsContact O-N 3.16Å; H93-L97 VanDerWaalsContact O-CG 3.27Å; H93-L97 WeakPolarHBondContact O-CG 3.44Å; H93-L97 PolarHBondContact O-N 3.07Å
94	L	90.9	Very high	90.1	Very high	94 Å²	94	81.9 Å²	81.9	49%	0.492	39%	0.392	S	S	.	.	H	α-helix	trans	-57.3	-52.6	176.2	-175	139.9	0	0	0	111.3	V90 D91 K96 L97 D98	V90-L94 WeakPolarHBondContact O-CB 3.45Å; V90-L94 PolarHBondContact O-N 2.92Å; D91-L94 PolarHBondContact O-N 2.82Å; L94-K96 PolarHBondContact O-N 2.85Å; L94-L97 WeakPolarHBondContact O-CB 3.39Å; L94-L97 PolarHBondContact O-N 3.34Å; L94-D98 VanDerWaalsContact CD2-OD2 3.31Å; L94-D98 WeakPolarHBondContact CD2-OD2 3.32Å; L94-D98 PolarHBondContact O-N 2.94Å
95	R	91.4	Very high	89.5	Confident	143 Å²	143	81.1 Å²	81.1	54%	0.54	38%	0.384	S	S	.	.	H	α-helix	trans	-59.4	-31.2	176.9	-68.3	178.4	-162.7	-144.9	17.3	113.8	D91 H93 Q99	D91-R95 WeakPolarHBondContact O-CB 3.42Å; D91-R95 VanDerWaalsContact O-CG 3.28Å; D91-R95 WeakPolarHBondContact O-CG 3.17Å; D91-R95 PolarHBondContact O-N 3.04Å; D91-R95 IonicContact OD1-CZ 2.64Å; D91-R95 IonicContact OD1-NE 3.2Å; D91-R95 PolarHBondContact OD1-NE 3.38Å; D91-R95 IonicContact OD1-NH2 3.96Å; D91-R95 PolarHBondContact OD1-NH2 2.93Å; D91-R95 IonicContact OD2-CZ 3.41Å; D91-R95 IonicContact OD2-NE 2.67Å; D91-R95 PolarHBondContact OD2-NE 3.04Å; D91-R95 IonicContact OD2-NH2 2.67Å; D91-R95 PolarHBondContact OD2-NH2 3.18Å; H93-R95 PolarHBondContact O-N 3.35Å; R95-Q99 WeakPolarHBondContact O-CG 3.37Å; R95-Q99 PolarHBondContact O-N 2.94Å; R95-Q99 PolarHBondContact O-NE2 3.42Å
96	K	86.8	Confident	89	Confident	98 Å²	98	82.9 Å²	82.9	43%	0.426	39%	0.394	S	S	.	.	H	α-helix	trans	-71.2	-42.6	175.1	-82.8	173.8	169.5	-170.2	0	111.5	M10 R92 H93 L94 D98 Q99 E100	M10-K96 HydrophobicContact CE-CB 3.94Å; M10-K96 HydrophobicContact CG-CD 4.42Å; M10-K96 HydrophobicContact SD-CB 3.72Å; M10-K96 HydrophobicContact SD-CD 3.87Å; M10-K96 HydrophobicContact SD-CG 4.2Å; R92-K96 WeakPolarHBondContact O-CB 3.41Å; R92-K96 VanDerWaalsContact O-CG 3.26Å; R92-K96 WeakPolarHBondContact O-CG 3.43Å; R92-K96 PolarHBondContact O-N 3.39Å; H93-K96 WeakPolarHBondContact O-CB 3.45Å; H93-K96 PolarHBondContact O-N 3.22Å; H93-K96 VanDerWaalsContact O-N 3.16Å; L94-K96 PolarHBondContact O-N 2.85Å; K96-D98 VanDerWaalsContact C-N 3.34Å; K96-Q99 PolarHBondContact O-N 3.5Å; K96-E100 PolarHBondContact O-N 2.85Å
97	L	87	Confident	88.5	Confident	35 Å²	35	85.7 Å²	85.7	18%	0.183	41%	0.407	C	S	.	.	H	α-helix	trans	-63.9	-41.2	176.8	-65	166.3	0	0	0	110.7	Y7 M10 I11 H93 L94 Q99 E100 L101	Y7-L97 HydrophobicContact CD2-CD2 3.84Å; Y7-L97 HydrophobicContact CE2-CD2 3.49Å; Y7-L97 VanDerWaalsContact CE2-CD2 3.49Å; M10-L97 HydrophobicContact CE-CD2 3.9Å; M10-L97 HydrophobicContact CE-CG 4.44Å; I11-L97 HydrophobicContact CD1-CD1 4.22Å; I11-L97 HydrophobicContact CD1-CD2 3.78Å; I11-L97 HydrophobicContact CG1-CD1 4.31Å; I11-L97 HydrophobicContact CG1-CD2 3.76Å; H93-L97 VanDerWaalsContact O-CG 3.27Å; H93-L97 WeakPolarHBondContact O-CG 3.44Å; H93-L97 PolarHBondContact O-N 3.07Å; L94-L97 WeakPolarHBondContact O-CB 3.39Å; L94-L97 PolarHBondContact O-N 3.34Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 3.46Å; L97-E100 PolarHBondContact O-N 3.49Å; L97-L101 WeakPolarHBondContact O-CB 3.28Å; L97-L101 PolarHBondContact O-N 2.95Å
98	D	89.3	Confident	87.8	Confident	89 Å²	89	79.9 Å²	79.9	48%	0.476	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-41	172.7	-64	-30.6	0	0	0	112.4	L94 K96 A102	L94-D98 VanDerWaalsContact CD2-OD2 3.31Å; L94-D98 WeakPolarHBondContact CD2-OD2 3.32Å; L94-D98 PolarHBondContact O-N 2.94Å; K96-D98 VanDerWaalsContact C-N 3.34Å; D98-A102 VanDerWaalsContact O-CB 3.25Å; D98-A102 WeakPolarHBondContact O-CB 3.05Å; D98-A102 PolarHBondContact O-N 3.12Å
99	Q	88.6	Confident	87.2	Confident	128 Å²	128	79.8 Å²	79.8	60%	0.598	38%	0.383	S	S	*	.	H	α-helix	trans	-66.3	-45.5	178.3	-81.5	166.3	86.3	0	0	112.3	R95 K96 L97 A102 K103	R95-Q99 WeakPolarHBondContact O-CG 3.37Å; R95-Q99 PolarHBondContact O-N 2.94Å; R95-Q99 PolarHBondContact O-NE2 3.42Å; K96-Q99 PolarHBondContact O-N 3.5Å; L97-Q99 VanDerWaalsContact C-N 3.34Å; L97-Q99 PolarHBondContact O-N 3.46Å; Q99-A102 PolarHBondContact O-N 3.41Å; Q99-K103 VanDerWaalsContact O-CB 3.3Å; Q99-K103 WeakPolarHBondContact O-CB 3.2Å; Q99-K103 PolarHBondContact O-N 2.88Å
100	E	84.7	Confident	86.8	Confident	63 Å²	63	82.9 Å²	82.9	29%	0.294	41%	0.412	S	S	.	.	H	α-helix	trans	-69.5	-35.7	177.2	-75.3	-61.7	143	0	0	112.1	M10 K96 L97 K103 F104	M10-E100 HydrophobicContact CE-CB 4.14Å; M10-E100 HydrophobicContact CE-CG 3.69Å; K96-E100 PolarHBondContact O-N 2.85Å; L97-E100 PolarHBondContact O-N 3.49Å; E100-K103 PolarHBondContact O-N 3.45Å; E100-K103 IonicContact OE1-NZ 2.69Å; E100-K103 PolarHBondContact OE1-NZ 2.97Å; E100-K103 WeakPolarHBondContact OE2-CD 3.36Å; E100-K103 WeakPolarHBondContact OE2-CE 3.42Å; E100-K103 IonicContact OE2-NZ 3.17Å; E100-K103 PolarHBondContact OE2-NZ 3.17Å; E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.31Å; E100-F104 PolarHBondContact O-N 3.11Å
101	L	85.6	Confident	86.1	Confident	110 Å²	110	85.8 Å²	85.8	58%	0.576	43%	0.426	S	S	*	.	H	α-helix	trans	-65.7	-40.7	172.6	-176.8	141.3	0	0	0	112.1	L97 K105	L97-L101 WeakPolarHBondContact O-CB 3.28Å; L97-L101 PolarHBondContact O-N 2.95Å; L101-K105 WeakPolarHBondContact O-CB 3.28Å; L101-K105 PolarHBondContact O-N 3.47Å
102	A	86.6	Confident	85.4	Confident	58 Å²	58	88.4 Å²	88.4	48%	0.479	44%	0.44	S	S	.	.	H	α-helix	trans	-67	-41.2	175.2	0	0	0	0	0	112.4	D98 Q99 K105 M106	D98-A102 VanDerWaalsContact O-CB 3.25Å; D98-A102 WeakPolarHBondContact O-CB 3.05Å; D98-A102 PolarHBondContact O-N 3.12Å; Q99-A102 PolarHBondContact O-N 3.41Å; A102-K105 PolarHBondContact O-N 3.05Å; A102-M106 PolarHBondContact O-N 3.24Å
103	K	84.8	Confident	84.9	Confident	84 Å²	84	86.4 Å²	86.4	37%	0.365	45%	0.452	S	S	.	.	H	α-helix	trans	-59.8	-49.2	173.1	170.9	-179.2	155.5	-143.1	0	111.1	Q99 E100 K105 M106 E107	Q99-K103 VanDerWaalsContact O-CB 3.3Å; Q99-K103 WeakPolarHBondContact O-CB 3.2Å; Q99-K103 PolarHBondContact O-N 2.88Å; E100-K103 PolarHBondContact O-N 3.45Å; E100-K103 IonicContact OE1-NZ 2.69Å; E100-K103 PolarHBondContact OE1-NZ 2.97Å; E100-K103 WeakPolarHBondContact OE2-CD 3.36Å; E100-K103 WeakPolarHBondContact OE2-CE 3.42Å; E100-K103 IonicContact OE2-NZ 3.17Å; E100-K103 PolarHBondContact OE2-NZ 3.17Å; K103-K105 PolarHBondContact O-N 3.04Å; K103-M106 PolarHBondContact O-N 3.1Å; K103-E107 WeakPolarHBondContact O-CB 3.44Å; K103-E107 PolarHBondContact O-N 2.79Å
104	F	81	Confident	84.4	Confident	85 Å²	85	86.9 Å²	86.9	37%	0.373	46%	0.464	S	S	.	.	H	α-helix	trans	-61.5	-40.4	176.1	-179.8	-111.7	0	0	0	112.7	Y3 E100 E107 L108	Y3-F104 HydrophobicContact CD1-CD2 4.08Å; Y3-F104 HydrophobicContact CD2-CD2 4.41Å; Y3-F104 HydrophobicContact CD2-CE2 4.08Å; Y3-F104 AromaticContact CG-CD2 3.96Å; Y3-F104 HydrophobicContact CG-CD2 3.96Å; Y3-F104 HydrophobicContact CG-CE2 4.04Å; E100-F104 VanDerWaalsContact O-CB 3.27Å; E100-F104 WeakPolarHBondContact O-CB 3.31Å; E100-F104 PolarHBondContact O-N 3.11Å; F104-E107 PolarHBondContact O-N 3.31Å; F104-L108 HydrophobicContact CD1-CD1 4.04Å; F104-L108 HydrophobicContact CE1-CD1 3.49Å; F104-L108 VanDerWaalsContact CE1-CD1 3.49Å; F104-L108 HydrophobicContact CE1-CG 4.23Å; F104-L108 HydrophobicContact CE2-CD1 4.27Å; F104-L108 HydrophobicContact CE2-CD2 4.4Å; F104-L108 HydrophobicContact CE2-CG 4.17Å; F104-L108 HydrophobicContact CZ-CD1 3.63Å; F104-L108 HydrophobicContact CZ-CD2 4.29Å; F104-L108 HydrophobicContact CZ-CG 4.02Å; F104-L108 WeakPolarHBondContact O-CG 3.46Å; F104-L108 PolarHBondContact O-N 2.88Å
105	K	84.2	Confident	83.9	Confident	73 Å²	73	85.4 Å²	85.4	32%	0.317	46%	0.456	S	S	.	.	H	α-helix	trans	-60.6	-45.5	174.1	-173.3	167.1	179.8	161.7	0	111.5	L101 A102 K103 L108 E109 T116 E120	L101-K105 WeakPolarHBondContact O-CB 3.28Å; L101-K105 PolarHBondContact O-N 3.47Å; A102-K105 PolarHBondContact O-N 3.05Å; K103-K105 PolarHBondContact O-N 3.04Å; K105-L108 PolarHBondContact O-N 2.96Å; K105-E109 WeakPolarHBondContact CE-OE1 3.46Å; K105-E109 WeakPolarHBondContact CG-OE1 3.5Å; K105-E109 WeakPolarHBondContact O-CB 3.33Å; K105-E109 PolarHBondContact O-N 2.77Å; K105-T116 HydrophobicContact CB-CG2 4.49Å; K105-T116 HydrophobicContact CG-CG2 3.73Å; K105-T116 WeakPolarHBondContact O-CG2 3.11Å; K105-E120 IonicContact NZ-OE1 2.8Å; K105-E120 IonicContact NZ-OE2 2.85Å; K105-E120 PolarHBondContact NZ-OE2 3.24Å
106	M	84.3	Confident	83.3	Confident	136 Å²	136	79.2 Å²	79.2	67%	0.67	43%	0.433	S	S	*	.	H	α-helix	trans	-65.8	-37.3	177.6	-170	-178.1	70.5	0	0	112.6	A102 K103 E109 A110	A102-M106 PolarHBondContact O-N 3.24Å; K103-M106 PolarHBondContact O-N 3.1Å; M106-E109 PolarHBondContact O-N 3.26Å; M106-A110 WeakPolarHBondContact O-CB 3.43Å; M106-A110 PolarHBondContact O-N 2.93Å
107	E	84.1	Confident	83	Confident	72 Å²	72	79.7 Å²	79.7	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-68.4	-43.9	177.9	-164.6	167.9	171.1	0	0	111.5	Y3 K103 F104 E109 A110 D111	Y3-E107 WeakPolarHBondContact CE1-OE1 3.47Å; Y3-E107 WeakPolarHBondContact CE1-OE2 3.44Å; Y3-E107 PolarHBondContact OH-OE1 3.09Å; K103-E107 WeakPolarHBondContact O-CB 3.44Å; K103-E107 PolarHBondContact O-N 2.79Å; F104-E107 PolarHBondContact O-N 3.31Å; E107-E109 PolarHBondContact O-N 3.4Å; E107-A110 PolarHBondContact O-N 3.38Å; E107-D111 PolarHBondContact O-N 3.09Å
108	L	80.6	Confident	82.5	Confident	42 Å²	42	83 Å²	83	22%	0.22	45%	0.454	C	S	.	.	H	α-helix	trans	-61.7	-38.8	171.8	-75.2	-179.3	0	0	0	113.2	F104 K105 A110 N112 T116 L119	F104-L108 HydrophobicContact CD1-CD1 4.04Å; F104-L108 HydrophobicContact CE1-CD1 3.49Å; F104-L108 VanDerWaalsContact CE1-CD1 3.49Å; F104-L108 HydrophobicContact CE1-CG 4.23Å; F104-L108 HydrophobicContact CE2-CD1 4.27Å; F104-L108 HydrophobicContact CE2-CD2 4.4Å; F104-L108 HydrophobicContact CE2-CG 4.17Å; F104-L108 HydrophobicContact CZ-CD1 3.63Å; F104-L108 HydrophobicContact CZ-CD2 4.29Å; F104-L108 HydrophobicContact CZ-CG 4.02Å; F104-L108 WeakPolarHBondContact O-CG 3.46Å; F104-L108 PolarHBondContact O-N 2.88Å; K105-L108 PolarHBondContact O-N 2.96Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-N112 CarbonylContact O-C 3.43Å; L108-N112 PolarHBondContact O-N 2.66Å; L108-T116 HydrophobicContact CB-CG2 3.64Å; L108-T116 HydrophobicContact CD1-CG2 4.13Å; L108-L119 HydrophobicContact CD1-CD1 4Å
109	E	83.3	Confident	82	Confident	82 Å²	82	83.1 Å²	83.1	38%	0.383	45%	0.454	S	S	.	.	H	α-helix	trans	-70	-30.1	177	-84	165.2	-148.7	0	0	113	K105 M106 E107 A113 T116	K105-E109 WeakPolarHBondContact CE-OE1 3.46Å; K105-E109 WeakPolarHBondContact CG-OE1 3.5Å; K105-E109 WeakPolarHBondContact O-CB 3.33Å; K105-E109 PolarHBondContact O-N 2.77Å; M106-E109 PolarHBondContact O-N 3.26Å; E107-E109 PolarHBondContact O-N 3.4Å; E109-A113 VanDerWaalsContact O-CA 3.32Å; E109-A113 WeakPolarHBondContact O-CA 3.44Å; E109-A113 PolarHBondContact O-N 3.13Å; E109-T116 VanDerWaalsContact CD-OG1 3.3Å; E109-T116 HydrophobicContact CG-CG2 3.73Å; E109-T116 VanDerWaalsContact CG-OG1 3.22Å; E109-T116 WeakPolarHBondContact CG-OG1 3.26Å; E109-T116 WeakPolarHBondContact OE1-CB 3.49Å; E109-T116 PolarHBondContact OE1-OG1 2.88Å
110	A	82.2	Confident	81.7	Confident	85 Å²	85	81.7 Å²	81.7	70%	0.702	45%	0.447	S	S	*	.	H	α-helix	trans	-72.4	-44	174.6	0	0	0	0	0	112.2	M106 E107 L108	M106-A110 WeakPolarHBondContact O-CB 3.43Å; M106-A110 PolarHBondContact O-N 2.93Å; E107-A110 PolarHBondContact O-N 3.38Å; L108-A110 VanDerWaalsContact C-N 3.35Å
111	D	79.4	Confident	81.5	Confident	125 Å²	125	84.8 Å²	84.8	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-71.8	-40.9	177.4	-89.7	2.6	0	0	0	112.4	E107	E107-D111 PolarHBondContact O-N 3.09Å
112	N	78.2	Confident	81.2	Confident	94 Å²	94	87.2 Å²	87.2	50%	0.503	46%	0.458	S	S	.	.	S	Bend	trans	-147	86	-178	-70.9	-84.1	0	0	0	111.9	L108 G114 I115	L108-N112 CarbonylContact O-C 3.43Å; L108-N112 PolarHBondContact O-N 2.66Å; N112-G114 PolarHBondContact O-N 2.82Å; N112-I115 HydrophobicContact CB-CB 4.11Å; N112-I115 HydrophobicContact CB-CD1 3.42Å; N112-I115 VanDerWaalsContact CB-CD1 3.42Å; N112-I115 HydrophobicContact CB-CG1 3.71Å; N112-I115 WeakPolarHBondContact O-CB 3.26Å; N112-I115 PolarHBondContact O-N 3.38Å
113	A	81.4	Confident	80.9	Confident	96 Å²	96	87 Å²	87	79%	0.793	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	122.2	178.8	0	0	0	0	0	113.2	E109	E109-A113 VanDerWaalsContact O-CA 3.32Å; E109-A113 WeakPolarHBondContact O-CA 3.44Å; E109-A113 PolarHBondContact O-N 3.13Å
114	G	77.1	Confident	80.5	Confident	33 Å²	33	88.5 Å²	88.5	34%	0.34	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-5.3	179.2	0	0	0	0	0	116.2	N112 T116 E117 I118	N112-G114 PolarHBondContact O-N 2.82Å; G114-T116 VanDerWaalsContact C-N 3.25Å; G114-T116 PolarHBondContact O-N 3.43Å; G114-E117 PolarHBondContact O-N 2.69Å; G114-I118 WeakPolarHBondContact O-CG1 3.46Å; G114-I118 PolarHBondContact O-N 2.64Å
115	I	82.1	Confident	80.2	Confident	63 Å²	63	90.4 Å²	90.4	32%	0.323	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-30.9	176	-82.7	-166.2	0	0	0	112.5	N112 I118 L119	N112-I115 HydrophobicContact CB-CB 4.11Å; N112-I115 HydrophobicContact CB-CD1 3.42Å; N112-I115 VanDerWaalsContact CB-CD1 3.42Å; N112-I115 HydrophobicContact CB-CG1 3.71Å; N112-I115 WeakPolarHBondContact O-CB 3.26Å; N112-I115 PolarHBondContact O-N 3.38Å; I115-I118 PolarHBondContact O-N 3.41Å; I115-L119 HydrophobicContact CG2-CD1 3.71Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CG 3.2Å; I115-L119 PolarHBondContact O-N 3.44Å
116	T	78.6	Confident	79.4	Confident	12 Å²	12	93.3 Å²	93.3	7%	0.074	49%	0.493	C	S	.	.	H	α-helix	trans	-64.3	-45.7	178.2	51.6	0	0	0	0	112.3	K105 L108 E109 G114 I118 L119 E120	K105-T116 HydrophobicContact CB-CG2 4.49Å; K105-T116 HydrophobicContact CG-CG2 3.73Å; K105-T116 WeakPolarHBondContact O-CG2 3.11Å; L108-T116 HydrophobicContact CB-CG2 3.64Å; L108-T116 HydrophobicContact CD1-CG2 4.13Å; E109-T116 VanDerWaalsContact CD-OG1 3.3Å; E109-T116 HydrophobicContact CG-CG2 3.73Å; E109-T116 VanDerWaalsContact CG-OG1 3.22Å; E109-T116 WeakPolarHBondContact CG-OG1 3.26Å; E109-T116 WeakPolarHBondContact OE1-CB 3.49Å; E109-T116 PolarHBondContact OE1-OG1 2.88Å; G114-T116 VanDerWaalsContact C-N 3.25Å; G114-T116 PolarHBondContact O-N 3.43Å; T116-I118 VanDerWaalsContact C-N 3.26Å; T116-I118 PolarHBondContact O-N 3.02Å; T116-L119 PolarHBondContact O-N 3Å; T116-E120 VanDerWaalsContact O-CB 3.24Å; T116-E120 WeakPolarHBondContact O-CB 3.38Å; T116-E120 PolarHBondContact O-N 3.42Å
117	E	79.1	Confident	78.7	Confident	109 Å²	109	93 Å²	93	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-61.7	-35.1	174.4	-163.9	-155.6	121.1	0	0	111.9	G114 R121	G114-E117 PolarHBondContact O-N 2.69Å; E117-R121 WeakPolarHBondContact O-CB 3.31Å; E117-R121 PolarHBondContact O-N 3.19Å; E117-R121 IonicContact OE1-CZ 3.37Å; E117-R121 IonicContact OE1-NH1 2.84Å; E117-R121 PolarHBondContact OE1-NH1 2.87Å; E117-R121 IonicContact OE1-NH2 3.54Å; E117-R121 PolarHBondContact OE1-NH2 3.05Å
118	I	78.4	Confident	78.2	Confident	105 Å²	105	94 Å²	94	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-70.4	-39.4	176.7	-64.7	167.2	0	0	0	111.1	G114 I115 T116 R122	G114-I118 WeakPolarHBondContact O-CG1 3.46Å; G114-I118 PolarHBondContact O-N 2.64Å; I115-I118 PolarHBondContact O-N 3.41Å; T116-I118 VanDerWaalsContact C-N 3.26Å; T116-I118 PolarHBondContact O-N 3.02Å; I118-R122 VanDerWaalsContact O-CB 3.26Å; I118-R122 WeakPolarHBondContact O-CB 3.32Å; I118-R122 PolarHBondContact O-N 2.97Å
119	L	78.4	Confident	76.9	Confident	90 Å²	90	97.5 Å²	97.5	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-67.5	-46	174.5	-78.8	163.2	0	0	0	111.9	L108 I115 T116 R122 S123	L108-L119 HydrophobicContact CD1-CD1 4Å; I115-L119 HydrophobicContact CG2-CD1 3.71Å; I115-L119 HydrophobicContact CG2-CG 4.32Å; I115-L119 WeakPolarHBondContact O-CG 3.2Å; I115-L119 PolarHBondContact O-N 3.44Å; T116-L119 PolarHBondContact O-N 3Å; L119-R122 CarbonylContact O-C 3.54Å; L119-R122 WeakPolarHBondContact O-CA 3.15Å; L119-R122 PolarHBondContact O-N 3.18Å; L119-R122 VanDerWaalsContact O-N 3.07Å; L119-S123 PolarHBondContact O-N 3.42Å; L119-S123 PolarHBondContact O-OG 2.95Å
120	E	81.3	Confident	75.2	Confident	98 Å²	98	99.4 Å²	99.4	46%	0.458	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-39.8	-178.4	-170.2	169.7	170.4	0	0	111.8	K105 T116 R122 S123 L124	K105-E120 IonicContact NZ-OE1 2.8Å; K105-E120 IonicContact NZ-OE2 2.85Å; K105-E120 PolarHBondContact NZ-OE2 3.24Å; T116-E120 VanDerWaalsContact O-CB 3.24Å; T116-E120 WeakPolarHBondContact O-CB 3.38Å; T116-E120 PolarHBondContact O-N 3.42Å; E120-R122 VanDerWaalsContact C-N 3.32Å; E120-R122 PolarHBondContact O-N 3.16Å; E120-S123 PolarHBondContact O-OG 2.99Å; E120-L124 WeakPolarHBondContact O-CD1 3.49Å; E120-L124 VanDerWaalsContact O-CG 3.31Å; E120-L124 WeakPolarHBondContact O-CG 3.27Å; E120-L124 PolarHBondContact O-N 3.38Å
121	R	80.6	Confident	73.8	Confident	128 Å²	128	103.8 Å²	103.8	48%	0.483	56%	0.558	S	S	.	*	H	α-helix	trans	-60.4	-41.7	168.4	-179.7	174.5	-69.7	113.8	2.8	111.8	E117 L124 E125	E117-R121 WeakPolarHBondContact O-CB 3.31Å; E117-R121 PolarHBondContact O-N 3.19Å; E117-R121 IonicContact OE1-CZ 3.37Å; E117-R121 IonicContact OE1-NH1 2.84Å; E117-R121 PolarHBondContact OE1-NH1 2.87Å; E117-R121 IonicContact OE1-NH2 3.54Å; E117-R121 PolarHBondContact OE1-NH2 3.05Å; R121-L124 PolarHBondContact O-N 2.91Å; R121-E125 WeakPolarHBondContact O-CG 3.43Å; R121-E125 PolarHBondContact O-N 3.07Å; R121-E125 VanDerWaalsContact O-N 3.12Å
122	R	79.9	Confident	72.2	Confident	161 Å²	161	103.7 Å²	103.7	61%	0.608	57%	0.565	S	S	*	*	H	α-helix	trans	-76	-29.4	-176.2	-170.8	174.9	-176.3	174.3	1.7	113.9	I118 L119 E120 L126	I118-R122 VanDerWaalsContact O-CB 3.26Å; I118-R122 WeakPolarHBondContact O-CB 3.32Å; I118-R122 PolarHBondContact O-N 2.97Å; L119-R122 CarbonylContact O-C 3.54Å; L119-R122 WeakPolarHBondContact O-CA 3.15Å; L119-R122 PolarHBondContact O-N 3.18Å; L119-R122 VanDerWaalsContact O-N 3.07Å; E120-R122 VanDerWaalsContact C-N 3.32Å; E120-R122 PolarHBondContact O-N 3.16Å; R122-L126 WeakPolarHBondContact O-CG 3.21Å; R122-L126 PolarHBondContact O-N 3.27Å
123	S	80.3	Confident	70.7	Confident	54 Å²	54	105.7 Å²	105.7	38%	0.378	58%	0.58	S	S	.	*	H	α-helix	trans	-67.7	-44.2	170.8	50.1	0	0	0	0	110.8	L119 E120 E125 L126 D127	L119-S123 PolarHBondContact O-N 3.42Å; L119-S123 PolarHBondContact O-OG 2.95Å; E120-S123 PolarHBondContact O-OG 2.99Å; S123-E125 VanDerWaalsContact C-N 3.28Å; S123-E125 PolarHBondContact O-N 3.48Å; S123-L126 WeakPolarHBondContact O-CA 3.33Å; S123-L126 WeakPolarHBondContact O-CB 3.25Å; S123-L126 PolarHBondContact O-N 2.71Å; S123-D127 PolarHBondContact O-N 3.38Å
124	L	77	Confident	68.7	Low	116 Å²	116	107 Å²	107	61%	0.607	57%	0.574	S	S	*	*	H	α-helix	trans	-60.3	-36.2	175.6	-67.3	167.9	0	0	0	112.6	E120 R121 L126 T128	E120-L124 WeakPolarHBondContact O-CD1 3.49Å; E120-L124 VanDerWaalsContact O-CG 3.31Å; E120-L124 WeakPolarHBondContact O-CG 3.27Å; E120-L124 PolarHBondContact O-N 3.38Å; R121-L124 PolarHBondContact O-N 2.91Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 3.48Å; L124-T128 PolarHBondContact O-N 3.24Å; L124-T128 PolarHBondContact O-OG1 2.74Å
125	E	73.9	Confident	67.3	Low	124 Å²	124	112.6 Å²	112.6	58%	0.579	60%	0.596	S	S	*	*	H	α-helix	trans	-67.2	-26.7	172.4	-74.3	170.6	-170.7	0	0	113.6	R121 S123 T128	R121-E125 WeakPolarHBondContact O-CG 3.43Å; R121-E125 PolarHBondContact O-N 3.07Å; R121-E125 VanDerWaalsContact O-N 3.12Å; S123-E125 VanDerWaalsContact C-N 3.28Å; S123-E125 PolarHBondContact O-N 3.48Å; E125-T128 PolarHBondContact O-OG1 3.08Å
126	L	66.9	Low	65.5	Low	135 Å²	135	116.8 Å²	116.8	71%	0.707	61%	0.614	S	S	*	*	H	α-helix	trans	-85.5	-31.3	177.5	-73	167	0	0	0	112.9	R122 S123 L124 T128	R122-L126 WeakPolarHBondContact O-CG 3.21Å; R122-L126 PolarHBondContact O-N 3.27Å; S123-L126 WeakPolarHBondContact O-CA 3.33Å; S123-L126 WeakPolarHBondContact O-CB 3.25Å; S123-L126 PolarHBondContact O-N 2.71Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 3.48Å; L126-T128 VanDerWaalsContact C-N 3.3Å
127	D	70.8	Confident	63.8	Low	130 Å²	130	123.2 Å²	123.2	70%	0.695	64%	0.643	S	S	*	*	H	α-helix	trans	-74.7	-19.5	175.3	-70.1	-38	0	0	0	112.5	S123 P129	S123-D127 PolarHBondContact O-N 3.38Å; D127-P129 WeakPolarHBondContact O-CD 3.36Å
128	T	72.2	Confident	61.7	Low	92 Å²	92	122.4 Å²	122.4	56%	0.564	66%	0.655	S	S	*	*	S	Bend	trans	-65.8	117.4	166.4	22	0	0	0	0	111.2	L124 E125 L126 S130	L124-T128 PolarHBondContact O-N 3.24Å; L124-T128 PolarHBondContact O-OG1 2.74Å; E125-T128 PolarHBondContact O-OG1 3.08Å; L126-T128 VanDerWaalsContact C-N 3.3Å; T128-S130 PolarHBondContact O-N 3.23Å
129	P	53.9	Low	59.8	Low	115 Å²	115	124.2 Å²	124.2	75%	0.747	66%	0.661	S	S	*	*			trans	-63.6	131.9	177.7	26.3	-34.1	0	0	0	110.4	D127 Q131	D127-P129 WeakPolarHBondContact O-CD 3.36Å; P129-Q131 PolarHBondContact O-N 3.23Å
130	S	48.8	Very low	57.8	Low	122 Å²	122	125.3 Å²	125.3	85%	0.853	68%	0.676	S	S	*	*			trans	-53.4	105.2	-174.1	-47.8	0	0	0	0	112.2	T128	T128-S130 PolarHBondContact O-N 3.23Å
131	Q	52	Low	55.8	Low	177 Å²	177	129 Å²	129	83%	0.827	69%	0.693	S	S	*	*			trans	-60.5	138.6	172.5	-73.4	-163.6	-0.2	0	0	109.9	P129 V133	P129-Q131 PolarHBondContact O-N 3.23Å; Q131-V133 PolarHBondContact O-N 2.82Å; Q131-V133 VanDerWaalsContact O-N 3.16Å
132	P	45.2	Very low	53.8	Low	123 Å²	123	128.5 Å²	128.5	80%	0.799	70%	0.704	S	S	*	*			trans	-63.2	120.9	177.7	26.2	-33.5	0	0	0	109.4	N134	P132-N134 PolarHBondContact O-N 3.12Å
133	V	48	Very low	51.9	Low	137 Å²	137	126.8 Å²	126.8	83%	0.83	71%	0.713	S	S	*	*			trans	-62.1	92	-179.7	-79	0	0	0	0	111.3	Q131 N135	Q131-V133 PolarHBondContact O-N 2.82Å; Q131-V133 VanDerWaalsContact O-N 3.16Å; V133-N135 PolarHBondContact O-N 2.95Å
134	N	39.3	Very low	49.8	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	73%	0.729	S	S	*	*			trans	-69.9	101.2	177.1	-173.5	19.6	0	0	0	109.7	P132 H136	P132-N134 PolarHBondContact O-N 3.12Å; N134-H136 VanDerWaalsContact C-N 3.29Å; N134-H136 PolarHBondContact ND2-CD2 2.82Å; N134-H136 PolarHBondContact ND2-NE2 3.29Å; N134-H136 PolarHBondContact O-N 3.34Å
135	N	47.7	Very low	47.9	Very low	150 Å²	150	133.2 Å²	133.2	80%	0.802	74%	0.742	S	S	*	*			trans	-83.2	66.1	-160.6	-158.9	12.1	0	0	0	112.5	V133 H137	V133-N135 PolarHBondContact O-N 2.95Å; N135-H137 PolarHBondContact O-N 3.12Å
136	H	43.3	Very low	46.1	Very low	151 Å²	151	136 Å²	136	70%	0.699	75%	0.753	S	S	*	*			trans	-89.1	93.9	176.9	-75.5	-40.2	0	0	0	112.3	N134 A138	N134-H136 VanDerWaalsContact C-N 3.29Å; N134-H136 PolarHBondContact ND2-CD2 2.82Å; N134-H136 PolarHBondContact ND2-NE2 3.29Å; N134-H136 PolarHBondContact O-N 3.34Å; H136-A138 PolarHBondContact O-N 3.31Å
137	H	43.2	Very low	44.5	Very low	146 Å²	146	141 Å²	141	68%	0.676	76%	0.762	S	S	*	*			trans	-66.8	86.7	170.8	-173.7	83.3	0	0	0	111.4	N135 H139	N135-H137 PolarHBondContact O-N 3.12Å; H137-H139 AromaticContact CD2-CE1 3.34Å; H137-H139 PolarHBondContact CD2-CE1 3.25Å; H137-H139 AromaticContact CD2-ND1 3.65Å; H137-H139 AromaticContact CD2-NE2 3.68Å; H137-H139 AromaticContact NE2-CE1 3.27Å; H137-H139 PolarHBondContact NE2-CE1 3.49Å; H137-H139 VanDerWaalsContact NE2-CE1 3.27Å; H137-H139 AromaticContact NE2-ND1 3.42Å; H137-H139 PolarHBondContact NE2-ND1 3.49Å; H137-H139 PolarHBondContact O-N 3.33Å
138	A	35.8	Very low	42.5	Very low	92 Å²	92	144.6 Å²	144.6	76%	0.76	77%	0.771	S	S	*	*			trans	-77	106.7	175.9	0	0	0	0	0	111	H136 S140	H136-A138 PolarHBondContact O-N 3.31Å; A138-S140 PolarHBondContact O-N 2.94Å; A138-S140 VanDerWaalsContact O-N 3.15Å
139	H	38.6	Very low	40.6	Very low	144 Å²	144	150.3 Å²	150.3	67%	0.667	78%	0.784	S	S	*	*			trans	-64.5	110.3	178.2	-72.5	-68.6	0	0	0	112.3	H137 H141	H137-H139 AromaticContact CD2-CE1 3.34Å; H137-H139 PolarHBondContact CD2-CE1 3.25Å; H137-H139 AromaticContact CD2-ND1 3.65Å; H137-H139 AromaticContact CD2-NE2 3.68Å; H137-H139 AromaticContact NE2-CE1 3.27Å; H137-H139 PolarHBondContact NE2-CE1 3.49Å; H137-H139 VanDerWaalsContact NE2-CE1 3.27Å; H137-H139 AromaticContact NE2-ND1 3.42Å; H137-H139 PolarHBondContact NE2-ND1 3.49Å; H137-H139 PolarHBondContact O-N 3.33Å; H139-H141 PolarHBondContact O-N 2.94Å; H139-H141 VanDerWaalsContact O-N 3.09Å
140	S	34.5	Very low	39.3	Very low	112 Å²	112	151.3 Å²	151.3	78%	0.783	78%	0.783	S	S	*	*			trans	-79.5	83.5	174.2	46	0	0	0	0	112.1	A138 T142	A138-S140 PolarHBondContact O-N 2.94Å; A138-S140 VanDerWaalsContact O-N 3.15Å; S140-T142 PolarHBondContact O-N 2.79Å
141	H	40.2	Very low	39.6	Very low	176 Å²	176	150.1 Å²	150.1	82%	0.815	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-67.5	119.1	169.5	-88.4	-87.6	0	0	0	111.4	H139	H139-H141 PolarHBondContact O-N 2.94Å; H139-H141 VanDerWaalsContact O-N 3.09Å
142	T	38.9	Very low	38.5	Very low	118 Å²	118	147.7 Å²	147.7	72%	0.724	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-94.1	130.4	175.2	49.4	0	0	0	0	111.6	S140	S140-T142 PolarHBondContact O-N 2.79Å
143	P	40.2	Very low	37.8	Very low	124 Å²	124	145.8 Å²	145.8	81%	0.805	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-84.6	135.2	164.1	-9.6	27.6	0	0	0	110.8
144	V	36.6	Very low	37.1	Very low	116 Å²	116	147.8 Å²	147.8	70%	0.703	76%	0.759	S	S	*	*			trans	-110	115.3	175.3	175.4	0	0	0	0	110.1
145	E	35.8	Very low	36.8	Very low	190 Å²	190	149.2 Å²	149.2	89%	0.888	76%	0.762	S	S	*	*			trans	-117.9	155.2	172	-79.9	-105.2	108.9	0	0	111.2
146	K	35.5	Very low	35.8	Very low	183 Å²	183	148.4 Å²	148.4	80%	0.796	76%	0.762	S	S	*	*			trans	-128.8	107.9	-160.7	-66	173.7	-176.7	168.5	0	114.6
147	R	33.9	Very low	35.3	Very low	240 Å²	240	147.2 Å²	147.2	91%	0.906	77%	0.766	S	S	*	*			trans	47.9	117.3	131.2	-172.3	-171.7	-153.3	172.8	9.5	119.6
148	K	30	Very low	34.8	Very low	205 Å²	205	146.8 Å²	146.8	89%	0.891	77%	0.774	S	S	*	*			trans	-166	113.8	139.4	-108.8	159.9	-174.7	-179.2	0	116
149	Y	30.4	Very low	34.5	Very low	212 Å²	212	150 Å²	150	83%	0.831	78%	0.778	S	S	*	*			trans	47.6	103.2	139.5	-110.5	-96.9	0	0	0	124
150	N	28.6	Very low	34.2	Very low	136 Å²	136	151.6 Å²	151.6	73%	0.727	79%	0.786	S	S	*	*				34.3	157.5	109.2	-130	30	0	0	0	122.1
151	P	53.4	Low	34.3	Very low	96 Å²	96	153.8 Å²	153.8	62%	0.623	79%	0.787	S	S	*	*			cis	-132.7	179.8	-22.7	31.4	-11	0	0	0	115.3
152	T	30.6	Very low	34.2	Very low	126 Å²	126	150.3 Å²	150.3	77%	0.773	78%	0.78	S	S	*	*				159.8	128.1	119.6	-63.9	0	0	0	0	115.6
153	S	29.9	Very low	33.9	Very low	84 Å²	84	152.9 Å²	152.9	59%	0.587	78%	0.784	S	S	*	*			trans	5.1	132.7	156.1	-163.2	0	0	0	0	122.6
154	H	33.9	Very low	33.8	Very low	179 Å²	179	156.2 Å²	156.2	83%	0.829	79%	0.785	S	S	*	*				-173.9	172.2	96.7	-99.7	-72.4	0	0	0	113.3
155	H	31.1	Very low	33.9	Very low	154 Å²	154	159.8 Å²	159.8	71%	0.713	79%	0.791	S	S	*	*			trans	-91.2	165.1	-169	76.7	-8	0	0	0	115.4
156	T	28.4	Very low	33.9	Very low	132 Å²	132	158.9 Å²	158.9	81%	0.81	79%	0.785	S	S	*	*				-162.9	165	118	22.3	0	0	0	0	110.6
157	T	31.6	Very low	34.5	Very low	126 Å²	126	158.8 Å²	158.8	77%	0.773	78%	0.784	S	S	*	*			trans	-100.3	138.5	-167.4	48.9	0	0	0	0	115.3
158	T	33.2	Very low	35.2	Very low	138 Å²	138	150.9 Å²	150.9	85%	0.847	77%	0.766	S	S	*	*			trans	-156.2	170.7	144.9	-6.7	0	0	0	0	110.9
159	D	29.8	Very low	35.7	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	76%	0.761	S	S	*	*			trans	-79	163.2	-150.5	-64.2	-87.7	0	0	0	119.7
160	H	31.7	Very low	36.4	Very low	179 Å²	179	142.5 Å²	142.5	83%	0.829	75%	0.75	S	S	*	*			trans	-86.3	134.3	177.4	-100.6	-80.7	0	0	0	113.3
161	I	36.2	Very low	37.2	Very low	158 Å²	158	141 Å²	141	81%	0.81	74%	0.742	S	S	*	*			trans	-125.1	119.8	152.1	-62.7	178.2	0	0	0	108
162	P	39.6	Very low	37	Very low	103 Å²	103	142 Å²	142	67%	0.669	74%	0.741	S	S	*	*			trans	-98.4	94.9	-177.8	34.9	-31.3	0	0	0	112.8	K164	P162-K164 PolarHBondContact O-N 2.98Å
163	E	32.5	Very low	37.5	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	73%	0.73	S	S	*	*			trans	-64.4	115.4	166.1	-70.3	-168.6	146.9	0	0	111.1	K165	E163-K165 PolarHBondContact O-N 2.99Å
164	K	36.8	Very low	38.3	Very low	194 Å²	194	140.1 Å²	140.1	84%	0.843	73%	0.729	S	S	*	*			trans	-85.8	96.2	174	-71.9	-179.2	179.6	174.7	0	110.4	P162 F166	P162-K164 PolarHBondContact O-N 2.98Å; K164-F166 PolarHBondContact O-N 3.32Å
165	K	40.4	Very low	38.7	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	73%	0.727	S	S	*	*			trans	-63.5	96.3	165.9	-70.8	-171.6	175.7	-175	0	110.2	E163	E163-K165 PolarHBondContact O-N 2.99Å
166	F	35.3	Very low	39.6	Very low	171 Å²	171	136.7 Å²	136.7	75%	0.75	73%	0.726	S	S	*	*			trans	-75.6	135.5	176.8	-163.7	-97.5	0	0	0	110.2	K164 S168 L171	K164-F166 PolarHBondContact O-N 3.32Å; F166-S168 PolarHBondContact O-N 3.38Å; F166-L171 HydrophobicContact CE1-CD1 4.42Å
167	K	48	Very low	40.3	Very low	181 Å²	181	134.6 Å²	134.6	79%	0.787	72%	0.717	S	S	*	*			trans	-91.8	85.7	-175	-65.7	-177.9	179.3	-178.1	0	110.6
168	S	47.2	Very low	40.5	Very low	74 Å²	74	136 Å²	136	52%	0.517	72%	0.719	S	S	.	*			trans	-73.4	-32.7	-177.4	46.3	0	0	0	0	114.6	F166 A170 L171	F166-S168 PolarHBondContact O-N 3.38Å; S168-A170 PolarHBondContact O-N 2.85Å; S168-A170 VanDerWaalsContact O-N 3.14Å; S168-L171 PolarHBondContact O-N 3.48Å; S168-L171 VanDerWaalsContact O-N 3.1Å
169	E	41.9	Very low	40.8	Very low	168 Å²	168	133.6 Å²	133.6	79%	0.785	71%	0.714	S	S	*	*	H	α-helix	trans	-54.6	-37.1	-174.8	-65	-177.2	120.1	0	0	113.8	L171 L172	E169-L171 PolarHBondContact O-N 3.07Å; E169-L172 PolarHBondContact O-N 3.36Å
170	A	44.4	Very low	41.3	Very low	74 Å²	74	131 Å²	131	61%	0.612	71%	0.708	S	S	*	*	H	α-helix	trans	-71	-14.5	-176.4	0	0	0	0	0	114.5	S168	S168-A170 PolarHBondContact O-N 2.85Å; S168-A170 VanDerWaalsContact O-N 3.14Å
171	L	45.5	Very low	41.4	Very low	105 Å²	105	131.6 Å²	131.6	55%	0.55	71%	0.708	S	S	.	*	H	α-helix	trans	-96.1	-29.5	177.5	-64.2	176.1	0	0	0	112.4	F166 S168 E169 S173 T174	F166-L171 HydrophobicContact CE1-CD1 4.42Å; S168-L171 PolarHBondContact O-N 3.48Å; S168-L171 VanDerWaalsContact O-N 3.1Å; E169-L171 PolarHBondContact O-N 3.07Å; L171-S173 VanDerWaalsContact C-N 3.34Å; L171-S173 PolarHBondContact O-N 3.36Å; L171-T174 PolarHBondContact O-N 3.17Å
172	L	49.2	Very low	41.1	Very low	116 Å²	116	132.5 Å²	132.5	61%	0.607	71%	0.709	S	S	*	*	H	α-helix	trans	-63.6	-38.6	179.9	-116.2	71.8	0	0	0	112.3	E169 T174 L175 T176	E169-L172 PolarHBondContact O-N 3.36Å; L172-T174 PolarHBondContact O-N 3.45Å; L172-L175 PolarHBondContact O-N 3.36Å; L172-T176 PolarHBondContact O-N 3.26Å
173	S	40.8	Very low	40.7	Very low	76 Å²	76	133.3 Å²	133.3	53%	0.531	71%	0.707	S	S	.	*	H	α-helix	trans	-63.2	-23.4	177.9	-53.8	0	0	0	0	113.9	L171 T176 S177	L171-S173 VanDerWaalsContact C-N 3.34Å; L171-S173 PolarHBondContact O-N 3.36Å; S173-T176 PolarHBondContact O-OG1 2.84Å; S173-S177 WeakPolarHBondContact O-CB 3.45Å; S173-S177 PolarHBondContact O-OG 2.58Å
174	T	47.8	Very low	40.6	Very low	94 Å²	94	131.9 Å²	131.9	58%	0.577	71%	0.71	S	S	*	*	H	α-helix	trans	-75.3	-42.1	178.4	-52.1	0	0	0	0	111.2	L171 L172 T176 S177	L171-T174 PolarHBondContact O-N 3.17Å; L172-T174 PolarHBondContact O-N 3.45Å; T174-T176 VanDerWaalsContact C-N 3.32Å; T174-T176 PolarHBondContact O-N 3.2Å; T174-S177 PolarHBondContact O-N 3.2Å
175	L	41.6	Very low	40.2	Very low	149 Å²	149	130.2 Å²	130.2	78%	0.78	71%	0.71	S	S	*	*	H	α-helix	trans	-69.3	-27.7	-179.3	-65.6	174.4	0	0	0	113.2	L172	L172-L175 PolarHBondContact O-N 3.36Å
176	T	49.3	Very low	39.6	Very low	113 Å²	113	124.5 Å²	124.5	69%	0.693	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-0.9	178.7	58.6	0	0	0	0	114.4	L172 S173 T174	L172-T176 PolarHBondContact O-N 3.26Å; S173-T176 PolarHBondContact O-OG1 2.84Å; T174-T176 VanDerWaalsContact C-N 3.32Å; T174-T176 PolarHBondContact O-N 3.2Å
177	S	44.2	Very low	39.2	Very low	88 Å²	88	122.2 Å²	122.2	62%	0.615	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-14	-172.7	-65.5	0	0	0	0	114.7	S173 T174	S173-S177 WeakPolarHBondContact O-CB 3.45Å; S173-S177 PolarHBondContact O-OG 2.58Å; T174-S177 PolarHBondContact O-N 3.2Å
178	D	34.8	Very low	38.2	Very low	155 Å²	155	124.3 Å²	124.3	83%	0.829	71%	0.712	S	S	*	*	S	Bend	trans	-106.1	38.1	-171.2	-132.4	-33.7	0	0	0	113.6
179	A	39.1	Very low	37.3	Very low	88 Å²	88	127.1 Å²	127.1	73%	0.727	72%	0.721	S	S	*	*	S	Bend	trans	-125.1	20.5	178.9	0	0	0	0	0	112.8
180	S	42.1	Very low	36.7	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	72%	0.72	S	S	*	*	S	Bend	trans	-155.8	54.8	-172.1	-73.9	0	0	0	0	114.8
181	K	33.6	Very low	35.9	Very low	192 Å²	192	129.3 Å²	129.3	84%	0.835	73%	0.728	S	S	*	*			trans	-161.4	137.5	153.2	-101.9	131.2	-167.1	171.4	0	112.8
182	E	30.1	Very low	35.1	Very low	176 Å²	176	129.7 Å²	129.7	82%	0.822	74%	0.74	S	S	*	*			trans	62.8	144.1	169	-62.3	-177	93.9	0	0	114.7
183	N	29.6	Very low	34.1	Very low	120 Å²	120	130.6 Å²	130.6	64%	0.642	75%	0.751	S	S	*	*			cis	-140.1	129.6	32	-176.6	-6.9	0	0	0	112.7
184	T	30.5	Very low	33.5	Very low	141 Å²	141	131.7 Å²	131.7	87%	0.865	76%	0.764	S	S	*	*			trans	-155.4	86.8	157.2	-26.1	0	0	0	0	111
185	L	29.6	Very low	32.8	Very low	159 Å²	159	133 Å²	133	83%	0.832	78%	0.777	S	S	*	*			trans	-74.3	121.2	174.8	-81.7	152.8	0	0	0	111.5
186	G	26.8	Very low	32.3	Very low	72 Å²	72	131.7 Å²	131.7	74%	0.742	78%	0.781	S	S	*	*			trans	-159.1	28.7	-166.7	0	0	0	0	0	119.4
187	C	27.8	Very low	31.4	Very low	122 Å²	122	133.3 Å²	133.3	82%	0.824	79%	0.785	S	S	*	*			trans	63	100.1	163.4	-70.4	0	0	0	0	121.4
188	R	25.8	Very low	30.8	Very low	225 Å²	225	137.1 Å²	137.1	85%	0.849	80%	0.798	S	S	*	*				56.5	117.9	123.7	-76.2	-178.1	154.6	161.1	-5.2	122.7
189	N	28.6	Very low	30.6	Very low	133 Å²	133	133.8 Å²	133.8	71%	0.711	79%	0.792	S	S	*	*				60.7	147.1	127.9	-63.2	75.6	0	0	0	120
190	N	28.8	Very low	30.3	Very low	141 Å²	141	140.1 Å²	140.1	75%	0.754	80%	0.799	S	S	*	*			cis	-151.9	166.2	16	-133	8.6	0	0	0	113.1
191	N	28.6	Very low	29.7	Very low	147 Å²	147	141.9 Å²	141.9	79%	0.786	80%	0.8	S	S	*	*			trans	-59	156.6	178.5	-69.5	-13.3	0	0	0	115.3
192	S	28.9	Very low	29.5	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	80%	0.795	S	S	*	*				-169.7	144	111.3	-79.1	0	0	0	0	115.3
193	T	28.6	Very low	29.5	Very low	136 Å²	136	136.8 Å²	136.8	83%	0.834	79%	0.791	S	S	*	*			trans	-17.3	147.7	160.4	55	0	0	0	0	117.8
194	A	28.2	Very low	29.5	Very low	99 Å²	99	136.5 Å²	136.5	82%	0.818	80%	0.799	S	S	*	*				-177.1	169	62.2	0	0	0	0	0	113.3
195	S	31.5	Very low	29.6	Very low	121 Å²	121	134.5 Å²	134.5	85%	0.846	79%	0.791	S	S	*	*			trans	-96.1	144.3	172.8	-42.6	0	0	0	0	112.7
196	S	30.9	Very low	29.9	Very low	122 Å²	122	133.9 Å²	133.9	85%	0.853	78%	0.784	S	S	*	*			trans	-168.9	148.6	150.3	41.2	0	0	0	0	113.6
197	N	31.8	Very low	30.8	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	79%	0.786	S	S	*	*			trans	-93.3	145.5	167.2	-61.5	-55.2	0	0	0	109.8
198	N	30.8	Very low	31.3	Very low	168 Å²	168	137.6 Å²	137.6	90%	0.898	78%	0.784	S	S	*	*				170.7	167.1	116.8	-91.6	-43.3	0	0	0	112.7
199	A	31.6	Very low	31.5	Very low	84 Å²	84	130 Å²	130	69%	0.694	78%	0.776	S	S	*	*			trans	-117.8	142.7	-173.6	0	0	0	0	0	113.8
200	Y	31.5	Very low	31.9	Very low	222 Å²	222	128.6 Å²	128.6	87%	0.871	78%	0.776	S	S	*	*			trans	-145.5	126.9	153.1	-66.1	-72.3	0	0	0	105.6
201	N	29.3	Very low	32.2	Very low	140 Å²	140	133.1 Å²	133.1	75%	0.749	79%	0.785	S	S	*	*				54.7	130.7	84	-138.3	17.9	0	0	0	112.4
202	V	30.8	Very low	32.5	Very low	119 Å²	119	133.6 Å²	133.6	72%	0.721	79%	0.787	S	S	*	*			cis	-153.3	152.9	31.3	-142.8	0	0	0	0	113.5
203	N	29.3	Very low	33	Very low	141 Å²	141	136 Å²	136	75%	0.754	79%	0.79	S	S	*	*			trans	41.9	120.6	141.2	-166.2	39.2	0	0	0	122.5
204	S	30.3	Very low	33.1	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	79%	0.786	S	S	*	*				-162.3	164.8	116.3	-150.9	0	0	0	0	113.3
205	S	31.6	Very low	33.4	Very low	99 Å²	99	134 Å²	134	69%	0.692	79%	0.786	S	S	*	*			trans	-90.3	142.5	-160.4	55	0	0	0	0	117.7
206	Q	35.9	Very low	33.5	Very low	147 Å²	147	136 Å²	136	69%	0.687	79%	0.787	S	S	*	*				-2.8	158.7	123.5	-72.7	-85.3	-21.7	0	0	117.9
207	P	47	Very low	33.5	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	78%	0.779	S	S	*	*			cis	-142	177.6	31.7	41.5	-21.8	0	0	0	119.4
208	L	37.6	Very low	33.7	Very low	149 Å²	149	134.8 Å²	134.8	78%	0.78	78%	0.784	S	S	*	*			trans	-73	167.9	169.4	-68	134.8	0	0	0	113.8
209	G	30.1	Very low	33.6	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	77%	0.772	S	S	*	*			trans	-144.1	130	161.5	0	0	0	0	0	111.7
210	S	35.7	Very low	33.8	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	78%	0.784	S	S	*	*			trans	-127.3	142.3	-179.1	-54.8	0	0	0	0	110.6
211	Y	36.7	Very low	33.9	Very low	236 Å²	236	126.4 Å²	126.4	93%	0.925	78%	0.782	S	S	*	*			trans	-136.7	163.2	172.4	-64.1	-67.4	0	0	0	111.8
212	N	34.5	Very low	34.7	Very low	158 Å²	158	125.1 Å²	125.1	85%	0.845	79%	0.791	S	S	*	*			trans	-121.7	171.2	-154.4	-163.5	6.4	0	0	0	112.8
213	I	38.8	Very low	35.6	Very low	164 Å²	164	121.9 Å²	121.9	84%	0.841	78%	0.782	S	S	*	*			trans	-81.7	154.6	-177	-149.5	167.9	0	0	0	112.7
214	G	31.5	Very low	36.4	Very low	74 Å²	74	119.6 Å²	119.6	76%	0.763	78%	0.783	S	S	*	*			trans	-160.8	142.6	-177.6	0	0	0	0	0	115.2
215	S	33.3	Very low	37.2	Very low	117 Å²	117	121.5 Å²	121.5	82%	0.818	78%	0.782	S	S	*	*			trans	-74.8	135.3	-163.4	53.3	0	0	0	0	119.5
216	L	34.5	Very low	38.1	Very low	165 Å²	165	122.3 Å²	122.3	86%	0.864	78%	0.783	S	S	*	*				50.7	125.9	123.3	-163.6	63	0	0	0	123.1
217	S	31.4	Very low	38.8	Very low	98 Å²	98	122.3 Å²	122.3	69%	0.685	79%	0.785	S	S	*	*			trans	105.3	133.4	138.2	-105.8	0	0	0	0	124
218	T	34.4	Very low	38.6	Very low	145 Å²	145	120.4 Å²	120.4	89%	0.89	78%	0.78	S	S	*	*			trans	83.6	125.7	155.6	-27	0	0	0	0	119.4
219	G	28.7	Very low	38.7	Very low	63 Å²	63	116.8 Å²	116.8	65%	0.649	77%	0.771	S	S	*	*			trans	128.1	89.7	153.1	0	0	0	0	0	117.9
220	T	36.8	Very low	39.7	Very low	153 Å²	153	116.6 Å²	116.6	94%	0.939	76%	0.763	S	S	*	*			trans	9.5	119.3	149.4	52.5	0	0	0	0	120.3
221	G	33.8	Very low	40.6	Very low	81 Å²	81	119.7 Å²	119.7	84%	0.835	77%	0.766	S	S	*	*			trans	169.4	135.8	160.7	0	0	0	0	0	113.7
222	A	46.2	Very low	40.8	Very low	113 Å²	113	112.1 Å²	112.1	93%	0.934	75%	0.752	S	S	*	*			trans	-88.9	149.8	174.8	0	0	0	0	0	111.5
223	G	49.6	Very low	41.5	Very low	52 Å²	52	109.7 Å²	109.7	54%	0.536	74%	0.743	S	S	.	*			trans	157.7	-9	168.4	0	0	0	0	0	119.4	I225	G223-I225 PolarHBondContact O-N 3.44Å
224	A	46.5	Very low	41.9	Very low	92 Å²	92	110 Å²	110	76%	0.76	74%	0.741	S	S	*	*	S	Bend	trans	-72.1	-28.1	-165.5	0	0	0	0	0	116.7
225	I	46.7	Very low	42.6	Very low	155 Å²	155	110.7 Å²	110.7	80%	0.795	74%	0.74	S	S	*	*	S	Bend	trans	-77.8	-31.9	-165.4	-54.9	177.4	0	0	0	112.5	G223 M227	G223-I225 PolarHBondContact O-N 3.44Å; I225-M227 PolarHBondContact O-N 3.01Å
226	T	50.4	Low	43.4	Very low	116 Å²	116	111 Å²	111	71%	0.712	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-27.4	-167.9	-42.9	0	0	0	0	114.3
227	M	49.9	Very low	44.3	Very low	147 Å²	147	107 Å²	107	72%	0.724	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-27	-173.8	-79.5	-176.6	-78.5	0	0	114.4	I225 A230	I225-M227 PolarHBondContact O-N 3.01Å; M227-A230 PolarHBondContact O-N 3.35Å
228	A	44.4	Very low	45.5	Very low	82 Å²	82	110.4 Å²	110.4	68%	0.678	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-37.3	-179.4	0	0	0	0	0	112.7	A230	A228-A230 VanDerWaalsContact C-N 3.29Å; A228-A230 PolarHBondContact O-N 3.46Å
229	A	39.8	Very low	45.6	Very low	73 Å²	73	112.9 Å²	112.9	60%	0.603	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-23.7	-179	0	0	0	0	0	113.7
230	A	50.8	Low	46.2	Very low	62 Å²	62	119.7 Å²	119.7	51%	0.512	75%	0.748	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-26.6	-173	0	0	0	0	0	114.1	M227 A228	M227-A230 PolarHBondContact O-N 3.35Å; A228-A230 VanDerWaalsContact C-N 3.29Å; A228-A230 PolarHBondContact O-N 3.46Å
231	Q	53	Low	46.7	Very low	167 Å²	167	121.8 Å²	121.8	78%	0.78	75%	0.747	S	S	*	*	S	Bend	trans	-82.7	-19	-174	-70.3	-173.9	-22.4	0	0	114.1	V233	Q231-V233 PolarHBondContact O-N 2.94Å
232	A	42.2	Very low	46.9	Very low	77 Å²	77	121.4 Å²	121.4	64%	0.636	74%	0.743	S	S	*	*	S	Bend	trans	-72.4	-25.3	179.3	0	0	0	0	0	113.8
233	V	47.9	Very low	46.6	Very low	108 Å²	108	127.7 Å²	127.7	66%	0.655	74%	0.743	S	S	*	*	S	Bend	trans	-83.9	-22.7	-169.2	-176.4	0	0	0	0	113.2	Q231	Q231-V233 PolarHBondContact O-N 2.94Å
234	Q	47.6	Very low	46.3	Very low	169 Å²	169	137 Å²	137	79%	0.79	76%	0.762	S	S	*	*	S	Bend	trans	-86.7	-15.1	-176	-67.4	-174.7	-16.9	0	0	114	T236	Q234-T236 PolarHBondContact O-N 3.02Å
235	A	47	Very low	46.3	Very low	90 Å²	90	139.2 Å²	139.2	74%	0.744	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-12.5	-173.2	0	0	0	0	0	115.1
236	T	49.3	Very low	46	Very low	123 Å²	123	137.5 Å²	137.5	76%	0.755	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-2.3	-172.8	52	0	0	0	0	114.4	Q234	Q234-T236 PolarHBondContact O-N 3.02Å
237	A	54.7	Low	45.9	Very low	80 Å²	80	136.7 Å²	136.7	66%	0.661	77%	0.766	S	S	*	*	S	Bend	trans	-86	-6.4	-167.1	0	0	0	0	0	115.9
238	Q	55.3	Low	45.8	Very low	170 Å²	170	137.8 Å²	137.8	79%	0.794	78%	0.775	S	S	*	*			trans	-145.8	89	-171.2	-61.9	-173	17.6	0	0	114.4
239	M	36.5	Very low	45.7	Very low	197 Å²	197	142 Å²	142	97%	0.97	78%	0.777	S	S	*	*			trans	-166.5	129.4	135.1	-109.4	163.8	-95.6	0	0	113.2
240	K	41.7	Very low	45.8	Very low	207 Å²	207	143 Å²	143	90%	0.9	79%	0.786	S	S	*	*			trans	-47.3	159.2	-165.7	-71.3	170.7	172.2	177	0	119.5
241	E	48	Very low	45.3	Very low	197 Å²	197	145.7 Å²	145.7	92%	0.921	80%	0.801	S	S	*	*			trans	-64.5	153.5	169.6	-58.9	140.6	104.8	0	0	113.9
242	G	36.4	Very low	44.6	Very low	72 Å²	72	148.5 Å²	148.5	74%	0.742	81%	0.806	S	S	*	*			trans	-171.2	89.8	174.6	0	0	0	0	0	114.6
243	R	41.1	Very low	44.4	Very low	246 Å²	246	152.5 Å²	152.5	93%	0.928	81%	0.812	S	S	*	*			trans	49.1	84.6	160.1	-164.6	-173.3	-125.8	-166.5	1.7	117.1
244	R	42.3	Very low	44.1	Very low	248 Å²	248	151.4 Å²	151.4	94%	0.936	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-93.1	137.1	155.1	-84.9	-178.1	162.2	142.5	-3.5	110.8
245	T	46.5	Very low	43.6	Very low	137 Å²	137	153.7 Å²	153.7	84%	0.84	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81.9	168.3	168	41.6	0	0	0	0	111.1
246	S	42.1	Very low	43.2	Very low	119 Å²	119	158.4 Å²	158.4	83%	0.832	83%	0.825	S	S	*	*	S	Bend	trans	-85.6	133.6	-162.5	50.7	0	0	0	0	115.6
247	S	48.2	Very low	42.4	Very low	99 Å²	99	159.7 Å²	159.7	69%	0.692	83%	0.828	S	S	*	*			trans	-158.8	-39.7	153	58.5	0	0	0	0	113.4	K249	S247-K249 PolarHBondContact O-N 3.24Å; S247-K249 VanDerWaalsContact O-N 3.12Å
248	L	46.3	Very low	41.3	Very low	171 Å²	171	164.1 Å²	164.1	90%	0.895	84%	0.84	S	S	*	*	S	Bend	trans	-89.3	59.6	-171.2	-61.1	177.5	0	0	0	115
249	K	42.5	Very low	40	Very low	169 Å²	169	162.4 Å²	162.4	74%	0.735	84%	0.837	S	S	*	*			trans	-142.2	60.7	163.6	-158.5	-163.1	170.9	-167.1	0	112.7	S247 E253	S247-K249 PolarHBondContact O-N 3.24Å; S247-K249 VanDerWaalsContact O-N 3.12Å; K249-E253 VanDerWaalsContact CE-OE2 3.3Å; K249-E253 WeakPolarHBondContact CE-OE2 3.47Å; K249-E253 IonicContact NZ-OE1 2.92Å; K249-E253 IonicContact NZ-OE2 3.8Å; K249-E253 PolarHBondContact NZ-OE2 3.5Å
250	A	43	Very low	39.6	Very low	95 Å²	95	160.9 Å²	160.9	79%	0.785	83%	0.825	S	S	*	*	S	Bend	trans	-147.8	38.4	-177.5	0	0	0	0	0	114.6
251	S	40	Very low	39.1	Very low	119 Å²	119	157.3 Å²	157.3	83%	0.832	81%	0.811	S	S	*	*	S	Bend	trans	-151.6	5.8	-179.9	54.7	0	0	0	0	116.7
252	Y	37.3	Very low	38.2	Very low	226 Å²	226	155.5 Å²	155.5	89%	0.886	81%	0.807	S	S	*	*	S	Bend	trans	-141.8	41.2	-174.7	-147.2	-95.3	0	0	0	114.7
253	E	38.9	Very low	37.9	Very low	160 Å²	160	155.2 Å²	155.2	75%	0.748	81%	0.805	S	S	*	*			trans	-152.3	53.1	179.7	-137.1	155.9	-140.5	0	0	111.5	K249	K249-E253 VanDerWaalsContact CE-OE2 3.3Å; K249-E253 WeakPolarHBondContact CE-OE2 3.47Å; K249-E253 IonicContact NZ-OE1 2.92Å; K249-E253 IonicContact NZ-OE2 3.8Å; K249-E253 PolarHBondContact NZ-OE2 3.5Å
254	A	41.4	Very low	37.8	Very low	86 Å²	86	151.8 Å²	151.8	71%	0.711	80%	0.796	S	S	*	*			trans	-141.3	15.2	-169.2	0	0	0	0	0	117.1
255	F	36.6	Very low	37.2	Very low	217 Å²	217	146.2 Å²	146.2	95%	0.952	78%	0.781	S	S	*	*	S	Bend	trans	-136	36.5	-179.3	-80.9	-67.5	0	0	0	114.5
256	K	38.5	Very low	36.5	Very low	188 Å²	188	147.3 Å²	147.3	82%	0.817	77%	0.774	S	S	*	*	S	Bend	trans	-142.1	122.7	171.3	-155.4	165.5	-173.6	176.9	0	111.7
257	N	33.6	Very low	35.9	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	77%	0.769	S	S	*	*			trans	70.2	89.8	178.7	-53	-3.8	0	0	0	116
258	N	31.8	Very low	35.1	Very low	172 Å²	172	149.6 Å²	149.6	92%	0.92	77%	0.774	S	S	*	*				-141.8	156.8	112.5	-141.5	-8.1	0	0	0	110.2
259	D	28.5	Very low	34.4	Very low	135 Å²	135	145.9 Å²	145.9	72%	0.722	77%	0.769	S	S	*	*			trans	-134	169.3	-167.2	179	35.2	0	0	0	110.5
260	F	27	Very low	33.8	Very low	165 Å²	165	149.3 Å²	149.3	72%	0.724	78%	0.777	S	S	*	*			trans	72.5	129.8	168.5	-131.6	-114	0	0	0	115.3
261	Q	31.6	Very low	33.1	Very low	131 Å²	131	152.7 Å²	152.7	61%	0.612	78%	0.776	S	S	*	*			cis	-167.9	157.5	-3	-171.4	65.2	-23.9	0	0	112.1
262	L	29.6	Very low	32.6	Very low	159 Å²	159	152.9 Å²	152.9	83%	0.832	77%	0.773	S	S	*	*			trans	86.8	126.5	149.8	-134.2	71.7	0	0	0	122.2
263	G	29.7	Very low	32.4	Very low	67 Å²	67	148.9 Å²	148.9	69%	0.691	77%	0.772	S	S	*	*			trans	85.9	96.3	160.7	0	0	0	0	0	115.8
264	K	38.2	Very low	31.9	Very low	173 Å²	173	144.4 Å²	144.4	75%	0.752	77%	0.768	S	S	*	*			cis	55.9	132	43	-96.4	-173.3	161.3	-79.9	0	113.1
265	E	30.9	Very low	31.4	Very low	131 Å²	131	151.2 Å²	151.2	61%	0.612	78%	0.777	S	S	*	*			cis	-117.5	-178.8	1	-54.4	-73	178.7	0	0	109.5
266	F	30.2	Very low	31.1	Very low	160 Å²	160	145.9 Å²	145.9	70%	0.702	77%	0.767	S	S	*	*			cis	-155.3	-179.5	2.7	-162	-126	0	0	0	109.9	M268	F266-M268 HydrophobicContact CE1-CE 4.26Å; F266-M268 HydrophobicContact CE1-CG 3.86Å; F266-M268 HydrophobicContact CE1-SD 4.49Å
267	S	30.8	Very low	30.7	Very low	103 Å²	103	143 Å²	143	72%	0.72	77%	0.77	S	S	*	*			trans	-157.6	158.5	166.2	-160.2	0	0	0	0	112.4
268	M	29.9	Very low	30.7	Very low	163 Å²	163	141 Å²	141	80%	0.803	77%	0.769	S	S	*	*			trans	-150.5	143.2	169.4	-81.9	-170.1	155.6	0	0	111.1	F266	F266-M268 HydrophobicContact CE1-CE 4.26Å; F266-M268 HydrophobicContact CE1-CG 3.86Å; F266-M268 HydrophobicContact CE1-SD 4.49Å
269	A	32.5	Very low	30.8	Very low	94 Å²	94	138.6 Å²	138.6	78%	0.777	77%	0.765	S	S	*	*			cis	-170.2	145.2	-21.7	0	0	0	0	0	108
270	R	30.2	Very low	30.9	Very low	240 Å²	240	136.6 Å²	136.6	91%	0.906	77%	0.767	S	S	*	*			trans	162.2	112.9	144.8	179.5	167.7	-176	172.9	-0.6	113.1
271	E	27.2	Very low	31	Very low	166 Å²	166	136.4 Å²	136.4	78%	0.776	77%	0.773	S	S	*	*			trans	-81.8	152.3	163.4	-69.8	178.8	153.3	0	0	108.9
272	T	30.5	Very low	30.9	Very low	123 Å²	123	138.2 Å²	138.2	76%	0.755	78%	0.783	S	S	*	*			cis	58.8	138.7	49.5	74.8	0	0	0	0	111.8
273	V	32.3	Very low	30.9	Very low	143 Å²	143	135.4 Å²	135.4	87%	0.867	77%	0.773	S	S	*	*			cis	-138.8	176.8	0.6	-76.6	0	0	0	0	108.1
274	G	28.5	Very low	30.9	Very low	66 Å²	66	137.4 Å²	137.4	68%	0.68	77%	0.772	S	S	*	*			cis	157.9	171.4	-7.2	0	0	0	0	0	112.5
275	Y	30.8	Very low	30.6	Very low	229 Å²	229	136.6 Å²	136.6	90%	0.898	78%	0.775	S	S	*	*			trans	76.4	126.2	164.8	-93.4	-98	0	0	0	123.4
276	S	31.4	Very low	30.6	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	77%	0.773	S	S	*	*			trans	54.7	135	148.9	-67.1	0	0	0	0	123.3
277	S	29.8	Very low	31	Very low	127 Å²	127	135.7 Å²	135.7	89%	0.888	78%	0.78	S	S	*	*			trans	-151.9	133.8	156.5	-79.7	0	0	0	0	110.5
278	S	33.9	Very low	31.1	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	78%	0.781	S	S	*	*			trans	-146.3	110.1	169.7	58.9	0	0	0	0	110.6
279	S	33.1	Very low	31.2	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	77%	0.773	S	S	*	*			trans	42.9	113.3	159.1	60.6	0	0	0	0	120.3
280	A	30.5	Very low	31.2	Very low	93 Å²	93	134.3 Å²	134.3	77%	0.769	77%	0.773	S	S	*	*				179.6	130	120.8	0	0	0	0	0	114.8
281	L	29.6	Very low	31.4	Very low	161 Å²	161	127.3 Å²	127.3	84%	0.843	76%	0.761	S	S	*	*			trans	52.6	113.4	135.7	-57.8	175	0	0	0	122.9
282	M	28.8	Very low	31.8	Very low	168 Å²	168	124.9 Å²	124.9	83%	0.828	76%	0.763	S	S	*	*				80.2	126.7	111.6	-167.1	165.8	178.4	0	0	122.9
283	T	30.1	Very low	31.9	Very low	101 Å²	101	123.2 Å²	123.2	62%	0.62	76%	0.761	S	S	*	*			trans	72.5	104.2	148.5	-64.6	0	0	0	0	121.5
284	T	29.5	Very low	32	Very low	109 Å²	109	120.9 Å²	120.9	67%	0.669	76%	0.757	S	S	*	*				44	117.1	120.7	-36.6	0	0	0	0	121.1
285	L	31.4	Very low	32.1	Very low	155 Å²	155	124.2 Å²	124.2	81%	0.812	76%	0.76	S	S	*	*				-166.4	107.9	116.7	-118.9	76.8	0	0	0	109
286	T	32	Very low	32.2	Very low	93 Å²	93	117.1 Å²	117.1	57%	0.571	74%	0.743	S	S	*	*				69.6	136.4	99.8	66.6	0	0	0	0	118.3
287	Q	37.3	Very low	32.5	Very low	180 Å²	180	122.5 Å²	122.5	84%	0.841	75%	0.748	S	S	*	*			trans	74.3	148.9	156.9	-68.4	177.8	93.6	0	0	118.7
288	N	33.5	Very low	32.6	Very low	142 Å²	142	122.2 Å²	122.2	76%	0.759	75%	0.745	S	S	*	*			cis	-165.4	162.3	-29	-169.5	24.7	0	0	0	109
289	A	31.8	Very low	32.4	Very low	77 Å²	77	120.9 Å²	120.9	64%	0.636	75%	0.75	S	S	*	*			trans	64.6	151.1	163.7	0	0	0	0	0	115.2
290	S	33.6	Very low	32.7	Very low	111 Å²	111	126.7 Å²	126.7	78%	0.776	75%	0.753	S	S	*	*			cis	171.6	154.8	-12.3	-93	0	0	0	0	103
291	S	34.3	Very low	32.7	Very low	93 Å²	93	132 Å²	132	65%	0.65	76%	0.759	S	S	*	*			cis	-173.6	168.8	-8.6	48.6	0	0	0	0	106.9
292	S	34.8	Very low	32.9	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	76%	0.757	S	S	*	*			trans	61.3	145.4	158.2	47.7	0	0	0	0	117.8
293	A	33.3	Very low	33.2	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	76%	0.756	S	S	*	*			cis	-138.8	153.8	-4.5	0	0	0	0	0	107.4
294	A	34.2	Very low	33.2	Very low	95 Å²	95	131.8 Å²	131.8	79%	0.785	76%	0.758	S	S	*	*				50.4	131.3	78.3	0	0	0	0	0	113.5
295	D	30.2	Very low	33.3	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	76%	0.757	S	S	*	*			cis	-164.8	162.7	-1.8	-161.2	-27.8	0	0	0	109
296	S	33.9	Very low	33.3	Very low	79 Å²	79	131.3 Å²	131.3	55%	0.552	75%	0.752	S	S	*	*			trans	67	159.8	144.8	-78.7	0	0	0	0	120.4
297	R	37	Very low	33.2	Very low	218 Å²	218	135 Å²	135	82%	0.823	76%	0.761	S	S	*	*			cis	-163.2	150.8	-24.1	-112.6	168.3	-162.9	-160.8	1.9	109
298	S	31.3	Very low	33.1	Very low	120 Å²	120	131.4 Å²	131.4	84%	0.839	76%	0.755	S	S	*	*			trans	31.3	131.3	150.2	64.6	0	0	0	0	122.1
299	G	30.1	Very low	33.2	Very low	84 Å²	84	129.6 Å²	129.6	87%	0.866	75%	0.753	S	S	*	*			trans	-163.8	44.9	176.7	0	0	0	0	0	120
300	R	39.2	Very low	33.3	Very low	243 Å²	243	129.8 Å²	129.8	92%	0.917	75%	0.75	S	S	*	*			trans	-17	120.4	172.7	-69.3	175	171.4	177.7	-2.7	119.4
301	K	31.5	Very low	33.6	Very low	204 Å²	204	131.9 Å²	131.9	89%	0.887	75%	0.748	S	S	*	*				50.7	115.3	120.5	-176.3	-172.6	-175.9	175.8	0	120.1
302	S	33.1	Very low	33.8	Very low	115 Å²	115	135 Å²	135	80%	0.804	75%	0.752	S	S	*	*				-169.5	158.1	127.3	-157.2	0	0	0	0	115.6
303	K	36.4	Very low	34	Very low	185 Å²	185	133.8 Å²	133.8	80%	0.804	74%	0.743	S	S	*	*			trans	-40.4	162	160.9	-83.2	169.5	164.1	174.4	0	113.8
304	N	30	Very low	34.3	Very low	125 Å²	125	134.6 Å²	134.6	67%	0.668	74%	0.744	S	S	*	*			cis	-171.8	154.9	45.8	-152.7	22.2	0	0	0	115.7
305	N	31	Very low	34.4	Very low	120 Å²	120	135.2 Å²	135.2	64%	0.642	74%	0.742	S	S	*	*			trans	57.9	155.3	142.2	-105.4	0	0	0	0	125.6
306	N	30.3	Very low	34.8	Very low	135 Å²	135	133.3 Å²	133.3	72%	0.722	74%	0.74	S	S	*	*			trans	75.4	152.6	151.4	-69.5	-19.2	0	0	0	120.2
307	K	31.5	Very low	35	Very low	171 Å²	171	134.6 Å²	134.6	74%	0.743	75%	0.749	S	S	*	*			cis	-174.4	138.1	-25.3	175.9	173.5	175.7	179.1	0	109.5
308	S	34.6	Very low	35.2	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	74%	0.741	S	S	*	*			trans	58.1	173.5	171.2	55.6	0	0	0	0	114.1
309	S	36	Very low	35.5	Very low	103 Å²	103	127.9 Å²	127.9	72%	0.72	74%	0.735	S	S	*	*			cis	-164.5	162.7	4.2	8.5	0	0	0	0	107.2
310	S	34.1	Very low	35.9	Very low	81 Å²	81	128.6 Å²	128.6	57%	0.566	73%	0.727	S	S	*	*			cis	176.5	167.9	-17.2	58	0	0	0	0	107.7
311	Q	39.9	Very low	35.7	Very low	155 Å²	155	121.9 Å²	121.9	72%	0.724	72%	0.717	S	S	*	*			trans	69.9	154.9	165.9	-63	165.9	81.5	0	0	114.2
312	Q	38	Very low	35.8	Very low	160 Å²	160	119.8 Å²	119.8	75%	0.748	72%	0.715	S	S	*	*			cis	-164.3	167	-8.7	-106.7	162.6	5.8	0	0	106.3
313	S	38.7	Very low	36	Very low	89 Å²	89	118.8 Å²	118.8	62%	0.622	71%	0.708	S	S	*	*			cis	-168.5	173.3	-7.7	49.4	0	0	0	0	109.4
314	S	39.7	Very low	35.8	Very low	105 Å²	105	115.6 Å²	115.6	73%	0.734	71%	0.709	S	S	*	*			trans	63.5	148.3	150.1	44.5	0	0	0	0	118.3
315	S	37	Very low	35.6	Very low	107 Å²	107	115 Å²	115	75%	0.748	71%	0.713	S	S	*	*			cis	-174.7	157.4	-2.6	39	0	0	0	0	107.8
316	S	38	Very low	35.6	Very low	96 Å²	96	114.3 Å²	114.3	67%	0.671	72%	0.718	S	S	*	*			cis	-175.6	143.3	-9.8	46.7	0	0	0	0	110.3
317	S	37.9	Very low	35.9	Very low	106 Å²	106	113.7 Å²	113.7	74%	0.741	72%	0.724	S	S	*	*			trans	59.5	158.7	147.2	66.4	0	0	0	0	119.4
318	S	41	Very low	36.2	Very low	94 Å²	94	110.7 Å²	110.7	66%	0.657	73%	0.725	S	S	*	*			cis	-149.6	149.9	17.3	-45.5	0	0	0	0	113.3
319	S	36.7	Very low	36.3	Very low	103 Å²	103	110.7 Å²	110.7	72%	0.72	73%	0.725	S	S	*	*			trans	32.7	143.9	138.8	61.1	0	0	0	0	122
320	S	39.2	Very low	36.1	Very low	100 Å²	100	111.8 Å²	111.8	70%	0.699	73%	0.727	S	S	*	*			cis	-151.2	142.3	24.8	-18.3	0	0	0	0	110.1
321	S	36	Very low	36	Very low	101 Å²	101	115.1 Å²	115.1	71%	0.706	74%	0.744	S	S	*	*				64.6	132.9	78.3	-43	0	0	0	0	112.8
322	L	32.1	Very low	35.8	Very low	161 Å²	161	113.6 Å²	113.6	84%	0.843	75%	0.745	S	S	*	*			cis	-138.5	134.1	33.4	-68.3	157.8	0	0	0	110.3
323	S	37.6	Very low	35.7	Very low	94 Å²	94	115.5 Å²	115.5	66%	0.657	75%	0.754	S	S	*	*				75.9	104.6	76.5	-54.6	0	0	0	0	114.5
324	S	32.6	Very low	35.5	Very low	117 Å²	117	119.2 Å²	119.2	82%	0.818	76%	0.761	S	S	*	*				89.7	143.8	93.3	-59.5	0	0	0	0	112.7
325	C	26.6	Very low	35.3	Very low	113 Å²	113	121.3 Å²	121.3	76%	0.764	76%	0.763	S	S	*	*			cis	-148.2	167.6	23.4	49.9	0	0	0	0	109.6
326	S	31.3	Very low	35.1	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	76%	0.758	S	S	*	*			cis	73	131	35.5	-35.2	0	0	0	0	113
327	S	35.3	Very low	35	Very low	122 Å²	122	124 Å²	124	85%	0.853	76%	0.763	S	S	*	*			cis	-151.9	169.4	19	-61.9	0	0	0	0	113.7
328	S	38.2	Very low	34.8	Very low	109 Å²	109	126.7 Å²	126.7	76%	0.762	76%	0.764	S	S	*	*			trans	-73.9	164.9	174.7	-30.3	0	0	0	0	114.5
329	S	36.3	Very low	34.1	Very low	104 Å²	104	127.5 Å²	127.5	73%	0.727	77%	0.765	S	S	*	*				171	135.1	111.1	-73.5	0	0	0	0	116.6
330	T	31.5	Very low	33.9	Very low	126 Å²	126	128.8 Å²	128.8	77%	0.773	77%	0.769	S	S	*	*			trans	39.3	128.8	141.2	63.5	0	0	0	0	123.4
331	V	32.3	Very low	33.5	Very low	150 Å²	150	130.3 Å²	130.3	91%	0.909	77%	0.774	S	S	*	*			trans	-141.2	159.6	135.6	-157.8	0	0	0	0	109
332	V	35.8	Very low	33.7	Very low	123 Å²	123	131.8 Å²	131.8	75%	0.745	78%	0.778	S	S	*	*			trans	-131.7	140.8	-174.8	173.2	0	0	0	0	110.6
333	Q	35.4	Very low	34.6	Very low	201 Å²	201	129 Å²	129	94%	0.939	77%	0.769	S	S	*	*			trans	-157.4	175.1	149.7	-131.9	158.5	-21.9	0	0	113.3
334	E	35.4	Very low	34.4	Very low	166 Å²	166	133 Å²	133	78%	0.776	78%	0.777	S	S	*	*			trans	-143.2	-176.7	-147	-152.6	-163.6	121.9	0	0	113.4
335	I	34.8	Very low	34.8	Very low	150 Å²	150	132 Å²	132	77%	0.769	77%	0.771	S	S	*	*			trans	83.7	139.2	161.1	-75.4	163.6	0	0	0	118.4
336	S	34.2	Very low	35	Very low	93 Å²	93	134.2 Å²	134.2	65%	0.65	78%	0.775	S	S	*	*			cis	-173.5	166.9	-23.8	-166.9	0	0	0	0	112.3
337	Q	33.9	Very low	35.5	Very low	165 Å²	165	134.3 Å²	134.3	77%	0.771	78%	0.776	S	S	*	*			trans	75.2	149	166	-44.6	-177	119.7	0	0	117
338	Q	33.8	Very low	35.4	Very low	163 Å²	163	135.1 Å²	135.1	76%	0.762	77%	0.771	S	S	*	*			cis	-155.8	128.7	1.2	-138.7	169.6	3.8	0	0	114.9
339	T	28.2	Very low	35.8	Very low	112 Å²	112	135.7 Å²	135.7	69%	0.687	77%	0.774	S	S	*	*			trans	41.6	121	136.6	-47.6	0	0	0	0	124.9
340	T	31.1	Very low	35.8	Very low	130 Å²	130	138.1 Å²	138.1	80%	0.798	77%	0.774	S	S	*	*			trans	66	152.2	156.6	57.8	0	0	0	0	118.9
341	V	31.3	Very low	36.4	Very low	132 Å²	132	137.1 Å²	137.1	80%	0.8	77%	0.768	S	S	*	*			cis	-138	164.2	21.8	178.8	0	0	0	0	111.5
342	V	40.7	Very low	36.6	Very low	132 Å²	132	136 Å²	136	80%	0.8	76%	0.757	S	S	*	*			trans	-133.9	138.2	170.3	172.8	0	0	0	0	106.1
343	P	50.4	Low	36.8	Very low	101 Å²	101	140.6 Å²	140.6	66%	0.656	76%	0.761	S	S	*	*				-133.4	-166.2	51.3	44.6	-26	0	0	0	113.2
344	E	34.3	Very low	37.6	Very low	178 Å²	178	136.6 Å²	136.6	83%	0.832	75%	0.75	S	S	*	*			cis	-150.5	-172.3	11.6	-151.7	145.6	-155.6	0	0	112.1
345	S	39.5	Very low	38.3	Very low	98 Å²	98	134.4 Å²	134.4	69%	0.685	74%	0.736	S	S	*	*			trans	-54.9	149.8	-176.3	55.2	0	0	0	0	116.9
346	D	30.8	Very low	39.3	Very low	159 Å²	159	132.1 Å²	132.1	85%	0.85	73%	0.725	S	S	*	*				-155	169.4	107.2	-136.5	-33.4	0	0	0	113
347	S	42.3	Very low	41	Very low	107 Å²	107	134 Å²	134	75%	0.748	74%	0.735	S	S	*	*			trans	-115.6	123.8	-170.8	-49.2	0	0	0	0	112.1
348	N	34.1	Very low	42.6	Very low	139 Å²	139	132.8 Å²	132.8	74%	0.743	73%	0.734	S	S	*	*			trans	-153.6	118.4	158	-162.6	12	0	0	0	113	Q350	N348-Q350 VanDerWaalsContact C-N 3.32Å; N348-Q350 PolarHBondContact O-N 3.46Å; N348-Q350 VanDerWaalsContact O-N 3.11Å
349	S	45.2	Very low	44.5	Very low	120 Å²	120	128.5 Å²	128.5	84%	0.839	71%	0.714	S	S	*	*			trans	-84.3	71.5	174	-59.3	0	0	0	0	110.4	V351	S349-V351 PolarHBondContact O-N 2.95Å; S349-V351 VanDerWaalsContact O-N 3.16Å
350	Q	37.6	Very low	46.7	Very low	155 Å²	155	126.6 Å²	126.6	72%	0.724	70%	0.703	S	S	*	*			trans	-76.5	104.3	176.2	-174.3	163.5	-12.5	0	0	110.5	N348 D352	N348-Q350 VanDerWaalsContact C-N 3.32Å; N348-Q350 PolarHBondContact O-N 3.46Å; N348-Q350 VanDerWaalsContact O-N 3.11Å; Q350-D352 PolarHBondContact O-N 2.9Å
351	V	43.7	Very low	49.1	Very low	105 Å²	105	127.3 Å²	127.3	64%	0.636	69%	0.691	S	S	*	*			trans	-61.7	118.3	165.3	-179.9	0	0	0	0	108	S349 W353	S349-V351 PolarHBondContact O-N 2.95Å; S349-V351 VanDerWaalsContact O-N 3.16Å; V351-W353 VanDerWaalsContact C-N 3.27Å; V351-W353 PolarHBondContact O-N 2.87Å
352	D	37	Very low	51.7	Low	127 Å²	127	124.1 Å²	124.1	68%	0.679	67%	0.665	S	S	*	*			trans	-75.3	80.9	178	-171.1	33.5	0	0	0	110.4	Q350 T354	Q350-D352 PolarHBondContact O-N 2.9Å; D352-T354 VanDerWaalsContact C-N 3.3Å; D352-T354 PolarHBondContact O-N 2.94Å
353	W	39.8	Very low	53.9	Low	219 Å²	219	117.9 Å²	117.9	83%	0.83	63%	0.628	S	S	*	*			trans	-64.9	97.3	158	-70.4	98.1	0	0	0	107.3	V351 Y355	V351-W353 VanDerWaalsContact C-N 3.27Å; V351-W353 PolarHBondContact O-N 2.87Å; W353-Y355 VanDerWaalsContact C-N 3.27Å; W353-Y355 PolarHBondContact O-N 3.45Å
354	T	50.6	Low	55.5	Low	117 Å²	117	117.2 Å²	117.2	72%	0.718	62%	0.618	S	S	*	*			trans	-59.4	90.8	176.4	51.9	0	0	0	0	109.7	D352 D356	D352-T354 VanDerWaalsContact C-N 3.3Å; D352-T354 PolarHBondContact O-N 2.94Å; T354-D356 PolarHBondContact O-N 2.8Å; T354-D356 VanDerWaalsContact O-N 3.09Å
355	Y	50.1	Low	58	Low	120 Å²	120	110.9 Å²	110.9	47%	0.471	59%	0.592	S	S	.	*			trans	-67.6	105	-172.1	-162.6	-76.4	0	0	0	108.6	W353 P357 Q367 V368	W353-Y355 VanDerWaalsContact C-N 3.27Å; W353-Y355 PolarHBondContact O-N 3.45Å; Y355-P357 WeakPolarHBondContact O-CD 3.3Å; Y355-Q367 PolarHBondContact OH-OE1 2.93Å; Y355-V368 HydrophobicContact CE1-CG1 4.03Å; Y355-V368 WeakPolarHBondContact OH-CG1 3.38Å
356	D	56.9	Low	60	Low	103 Å²	103	111 Å²	111	55%	0.551	59%	0.585	S	S	*	*			trans	-57.2	115.1	-178.9	-171.3	-27.2	0	0	0	109	T354 N358 E359	T354-D356 PolarHBondContact O-N 2.8Å; T354-D356 VanDerWaalsContact O-N 3.09Å; D356-N358 PolarHBondContact O-N 3.41Å; D356-N358 VanDerWaalsContact OD1-CB 3.28Å; D356-N358 WeakPolarHBondContact OD1-CB 3.42Å; D356-N358 PolarHBondContact OD1-N 3.27Å; D356-E359 PolarHBondContact O-N 3.06Å
357	P	69.4	Low	62.4	Low	132 Å²	132	107 Å²	107	86%	0.857	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-9.2	-177.1	-22.2	35	0	0	0	113.9	Y355	Y355-P357 WeakPolarHBondContact O-CD 3.3Å
358	N	67.3	Low	64.5	Low	140 Å²	140	103 Å²	103	75%	0.749	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	1.2	-174.3	-162.7	66.8	0	0	0	114.2	D356	D356-N358 PolarHBondContact O-N 3.41Å; D356-N358 VanDerWaalsContact OD1-CB 3.28Å; D356-N358 WeakPolarHBondContact OD1-CB 3.42Å; D356-N358 PolarHBondContact OD1-N 3.27Å
359	E	74.3	Confident	66.7	Low	73 Å²	73	99.3 Å²	99.3	34%	0.341	52%	0.518	S	S	.	.	S	Bend	trans	-67.6	127.5	174.6	-165.6	-171.9	155	0	0	111.1	D356 V368 S369	D356-E359 PolarHBondContact O-N 3.06Å; E359-V368 HydrophobicContact CB-CG1 3.95Å; E359-V368 VanDerWaalsContact CD-CB 3.49Å; E359-V368 HydrophobicContact CG-CB 4.47Å; E359-V368 HydrophobicContact CG-CG1 4.06Å; E359-V368 WeakPolarHBondContact OE1-CB 3.4Å; E359-V368 WeakPolarHBondContact OE2-CB 3.47Å; E359-V368 VanDerWaalsContact OE2-CG1 3.29Å; E359-V368 WeakPolarHBondContact OE2-CG1 3.46Å; E359-S369 WeakPolarHBondContact OE1-CB 3.34Å; E359-S369 PolarHBondContact OE1-N 2.93Å; E359-S369 PolarHBondContact OE1-OG 3.08Å
360	P	74.7	Confident	68.5	Low	71 Å²	71	99 Å²	99	46%	0.461	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-61.3	138.3	177.1	24.3	-34.5	0	0	0	112.4	Y362	P360-Y362 HydrophobicContact CB-CE2 4.19Å; P360-Y362 HydrophobicContact CG-CE2 3.88Å; P360-Y362 VanDerWaalsContact CG-OH 3.27Å; P360-Y362 WeakPolarHBondContact CG-OH 3.24Å; P360-Y362 WeakPolarHBondContact O-CD2 3.22Å; P360-Y362 WeakPolarHBondContact O-CE2 3.5Å
361	R	82.3	Confident	70.7	Confident	146 Å²	146	95.4 Å²	95.4	55%	0.551	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-94	127.2	-178.5	-71.7	171.1	177.5	-101.6	-1.1	111.3	N366 Q367	R361-N366 VanDerWaalsContact CD-O 3.3Å; R361-N366 WeakPolarHBondContact CD-O 3.47Å; R361-N366 WeakPolarHBondContact CG-O 3.47Å; R361-N366 PolarHBondContact NH1-O 3.09Å; R361-Q367 CarbonylContact C-O 3.59Å; R361-Q367 WeakPolarHBondContact CA-O 3.22Å
362	Y	84.7	Confident	72.6	Confident	64 Å²	64	96.3 Å²	96.3	25%	0.251	50%	0.501	S	S	.	.	B	Isolated β-bridge	trans	-114.6	173.9	-177.6	-58.4	-70.8	0	0	0	112.1	P360 N366 Q367 M373 W385	P360-Y362 HydrophobicContact CB-CE2 4.19Å; P360-Y362 HydrophobicContact CG-CE2 3.88Å; P360-Y362 VanDerWaalsContact CG-OH 3.27Å; P360-Y362 WeakPolarHBondContact CG-OH 3.24Å; P360-Y362 WeakPolarHBondContact O-CD2 3.22Å; P360-Y362 WeakPolarHBondContact O-CE2 3.5Å; Y362-N366 PolarHBondContact O-N 2.62Å; Y362-Q367 PolarHBondContact N-O 3.31Å; Y362-Q367 PolarHBondContact O-N 3.16Å; Y362-M373 HydrophobicContact CD2-CE 4.17Å; Y362-M373 HydrophobicContact CG-CE 4.06Å; Y362-W385 HydrophobicContact CD1-CB 3.94Å; Y362-W385 HydrophobicContact CD1-CG 4.33Å; Y362-W385 AromaticContact CE1-CD1 3.96Å; Y362-W385 HydrophobicContact CG-CB 4.23Å
363	C	86.6	Confident	75.1	Confident	2 Å²	2	92.3 Å²	92.3	1%	0.014	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	176.4	-179.6	-158.3	0	0	0	0	115.6	C365 N366 I383 W385 F386 H387 C390	C363-C365 PolarHBondContact O-N 3.26Å; C363-N366 PolarHBondContact O-N 2.85Å; C363-I383 VanDerWaalsContact N-CG2 3.3Å; C363-W385 VanDerWaalsContact CA-O 3.28Å; C363-W385 WeakPolarHBondContact CA-O 3.35Å; C363-W385 PolarHBondContact N-O 3.06Å; C363-F386 HydrophobicContact CB-CB 4.44Å; C363-F386 HydrophobicContact CB-CD1 4.36Å; C363-F386 VanDerWaalsContact SG-CA 3.58Å; C363-H387 WeakPolarHBondContact CB-ND1 3.35Å; C363-H387 PolarHBondContact SG-N 2.93Å; C363-H387 VanDerWaalsContact SG-N 3.44Å; C363-C390 WeakPolarHBondContact SG-CB 3.38Å
364	I	85.1	Confident	77.5	Confident	87 Å²	87	82.5 Å²	82.5	45%	0.446	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.1	174.9	61.8	173.3	0	0	0	113.8	F386 C390	I364-F386 HydrophobicContact CG2-CD1 4.22Å; I364-F386 HydrophobicContact CG2-CE1 3.88Å; I364-C390 HydrophobicContact CG1-CB 4.42Å
365	C	86.9	Confident	79.4	Confident	44 Å²	44	78.2 Å²	78.2	30%	0.297	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.5	174.8	62.4	0	0	0	0	112.9	C363 Q367 H387	C363-C365 PolarHBondContact O-N 3.26Å; C365-Q367 VanDerWaalsContact C-N 3.29Å; C365-Q367 HydrophobicContact CB-CG 4.17Å; C365-Q367 PolarHBondContact O-N 3.15Å; C365-H387 PolarHBondContact SG-CE1 2.86Å; C365-H387 PolarHBondContact SG-ND1 3.38Å; C365-H387 VanDerWaalsContact SG-ND1 3.38Å
366	N	81.8	Confident	81.3	Confident	100 Å²	100	73.1 Å²	73.1	54%	0.535	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	43.6	-177.2	-68.6	59.3	0	0	0	112.9	R361 Y362 C363	R361-N366 VanDerWaalsContact CD-O 3.3Å; R361-N366 WeakPolarHBondContact CD-O 3.47Å; R361-N366 WeakPolarHBondContact CG-O 3.47Å; R361-N366 PolarHBondContact NH1-O 3.09Å; Y362-N366 PolarHBondContact O-N 2.62Å; C363-N366 PolarHBondContact O-N 2.85Å
367	Q	80.5	Confident	82.8	Confident	76 Å²	76	71.3 Å²	71.3	36%	0.355	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-111.4	167	178.1	-63.9	-63.5	-7.4	0	0	111.6	Y355 R361 Y362 C365 Y370	Y355-Q367 PolarHBondContact OH-OE1 2.93Å; R361-Q367 CarbonylContact C-O 3.59Å; R361-Q367 WeakPolarHBondContact CA-O 3.22Å; Y362-Q367 PolarHBondContact N-O 3.31Å; Y362-Q367 PolarHBondContact O-N 3.16Å; C365-Q367 VanDerWaalsContact C-N 3.29Å; C365-Q367 HydrophobicContact CB-CG 4.17Å; C365-Q367 PolarHBondContact O-N 3.15Å; Q367-Y370 HydrophobicContact CB-CD1 4.39Å; Q367-Y370 HydrophobicContact CB-CE1 3.92Å; Q367-Y370 HydrophobicContact CG-CE1 4.48Å
368	V	86.1	Confident	83.5	Confident	23 Å²	23	66.5 Å²	66.5	14%	0.139	36%	0.361	C	S	.	.			trans	-59.8	173.6	172.6	-69.2	0	0	0	0	113.7	Y355 E359 Y370 H387	Y355-V368 HydrophobicContact CE1-CG1 4.03Å; Y355-V368 WeakPolarHBondContact OH-CG1 3.38Å; E359-V368 HydrophobicContact CB-CG1 3.95Å; E359-V368 VanDerWaalsContact CD-CB 3.49Å; E359-V368 HydrophobicContact CG-CB 4.47Å; E359-V368 HydrophobicContact CG-CG1 4.06Å; E359-V368 WeakPolarHBondContact OE1-CB 3.4Å; E359-V368 WeakPolarHBondContact OE2-CB 3.47Å; E359-V368 VanDerWaalsContact OE2-CG1 3.29Å; E359-V368 WeakPolarHBondContact OE2-CG1 3.46Å; V368-Y370 WeakPolarHBondContact O-CD1 3.46Å; V368-Y370 PolarHBondContact O-N 3.36Å; V368-H387 PolarHBondContact O-NE2 2.88Å
369	S	80.9	Confident	84.2	Confident	61 Å²	61	68.2 Å²	68.2	43%	0.427	36%	0.364	S	S	.	.			trans	-64.9	118.1	174.6	-36.9	0	0	0	0	110.2	E359	E359-S369 WeakPolarHBondContact OE1-CB 3.34Å; E359-S369 PolarHBondContact OE1-N 2.93Å; E359-S369 PolarHBondContact OE1-OG 3.08Å
370	Y	81.4	Confident	84.5	Confident	115 Å²	115	70.7 Å²	70.7	45%	0.451	38%	0.38	S	S	.	.			trans	-148.5	135.2	175	71.7	-99.7	0	0	0	113.9	Q367 V368 H387	Q367-Y370 HydrophobicContact CB-CD1 4.39Å; Q367-Y370 HydrophobicContact CB-CE1 3.92Å; Q367-Y370 HydrophobicContact CG-CE1 4.48Å; V368-Y370 WeakPolarHBondContact O-CD1 3.46Å; V368-Y370 PolarHBondContact O-N 3.36Å; Y370-H387 AromaticContact CD1-CD2 3.62Å; Y370-H387 AromaticContact CD1-CE1 3.93Å; Y370-H387 AromaticContact CD1-NE2 3.32Å; Y370-H387 VanDerWaalsContact CD1-NE2 3.32Å; Y370-H387 WeakPolarHBondContact CD1-NE2 3.32Å; Y370-H387 AromaticContact CE1-CD2 3.64Å; Y370-H387 AromaticContact CE1-CE1 3.52Å; Y370-H387 AromaticContact CE1-CG 3.89Å; Y370-H387 AromaticContact CE1-ND1 3.86Å; Y370-H387 AromaticContact CE1-NE2 3.38Å; Y370-H387 WeakPolarHBondContact CE1-NE2 3.45Å; Y370-H387 HydrophobicContact CE2-CB 4.34Å; Y370-H387 AromaticContact CG-CD2 3.84Å; Y370-H387 AromaticContact CG-NE2 3.97Å; Y370-H387 AromaticContact CZ-CD2 3.88Å; Y370-H387 AromaticContact CZ-CG 3.8Å; Y370-H387 PolarHBondContact O-CD2 3.23Å; Y370-H387 VanDerWaalsContact O-CD2 3.3Å
371	G	83.6	Confident	84.9	Confident	79 Å²	79	67.7 Å²	67.7	81%	0.814	36%	0.361	S	S	*	.	S	Bend	trans	59.7	-148.6	179.5	0	0	0	0	0	113.4
372	E	85.1	Confident	84.9	Confident	123 Å²	123	66 Å²	66	58%	0.575	37%	0.369	S	S	*	.	S	Bend	trans	-79.6	130.3	179.8	-61.1	-171.3	125.8	0	0	112.2	Y388	E372-Y388 HydrophobicContact CB-CD1 3.97Å; E372-Y388 HydrophobicContact CB-CD2 3.6Å; E372-Y388 HydrophobicContact CB-CE1 3.98Å; E372-Y388 HydrophobicContact CB-CE2 3.64Å; E372-Y388 HydrophobicContact CB-CG 3.77Å; E372-Y388 HydrophobicContact CG-CD2 4.44Å; E372-Y388 HydrophobicContact CG-CE2 4.28Å; E372-Y388 WeakPolarHBondContact O-CD1 3.27Å; E372-Y388 PolarHBondContact O-N 3.34Å; E372-Y388 VanDerWaalsContact OE2-CD2 3.28Å; E372-Y388 WeakPolarHBondContact OE2-CD2 3.22Å; E372-Y388 WeakPolarHBondContact OE2-CE2 3.42Å
373	M	89.4	Confident	84.8	Confident	44 Å²	44	65 Å²	65	22%	0.217	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.8	-178.1	-61.2	-178.5	75.5	0	0	111.2	Y362 W385 F386	Y362-M373 HydrophobicContact CD2-CE 4.17Å; Y362-M373 HydrophobicContact CG-CE 4.06Å; M373-W385 HydrophobicContact CE-CB 3.88Å; M373-F386 CarbonylContact C-O 3.57Å; M373-F386 VanDerWaalsContact CA-O 3.3Å; M373-F386 WeakPolarHBondContact CA-O 3.48Å
374	V	89.8	Confident	84.9	Confident	12 Å²	12	70 Å²	70	7%	0.073	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.2	176.5	62.5	0	0	0	0	110.4	W385 F386 Y388 V391 L393 P397 W401	V374-W385 WeakPolarHBondContact O-CA 3.26Å; V374-F386 HydrophobicContact CG1-CB 4.11Å; V374-F386 WeakPolarHBondContact CG1-O 3.45Å; V374-F386 PolarHBondContact N-O 2.96Å; V374-F386 PolarHBondContact O-N 3.19Å; V374-Y388 HydrophobicContact CB-CD1 4.25Å; V374-Y388 HydrophobicContact CB-CE1 3.91Å; V374-Y388 HydrophobicContact CG1-CD1 4.48Å; V374-V391 HydrophobicContact CG1-CG2 4.07Å; V374-L393 HydrophobicContact CB-CD1 4.11Å; V374-L393 HydrophobicContact CG1-CD1 3.73Å; V374-L393 HydrophobicContact CG2-CD1 4.31Å; V374-P397 HydrophobicContact CG2-CG 3.85Å; V374-W401 HydrophobicContact CB-CE3 4.36Å; V374-W401 HydrophobicContact CB-CZ3 4.46Å; V374-W401 HydrophobicContact CG1-CD2 4.18Å; V374-W401 HydrophobicContact CG1-CE3 3.88Å; V374-W401 HydrophobicContact CG1-CH2 3.6Å; V374-W401 HydrophobicContact CG1-CZ2 3.93Å; V374-W401 HydrophobicContact CG1-CZ3 3.58Å; V374-W401 HydrophobicContact CG2-CB 4.29Å; V374-W401 HydrophobicContact CG2-CD2 3.73Å; V374-W401 HydrophobicContact CG2-CE3 3.57Å; V374-W401 HydrophobicContact CG2-CG 4.06Å; V374-W401 HydrophobicContact CG2-CZ3 4.12Å
375	G	89.8	Confident	85.1	Confident	28 Å²	28	71.4 Å²	71.4	29%	0.289	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	141.6	169.8	0	0	0	0	0	111.8	E384	G375-E384 CarbonylContact C-O 3.59Å; G375-E384 WeakPolarHBondContact CA-O 3.43Å
376	C	90.4	Very high	85.3	Confident	13 Å²	13	69.3 Å²	69.3	9%	0.088	38%	0.376	C	S	.	.			trans	-89.4	117.6	175.7	-179.5	0	0	0	0	110.8	N378 C381 E384 F386 W401 C403 C406	C376-N378 PolarHBondContact O-N 3.16Å; C376-C381 HydrophobicContact CB-CB 4.33Å; C376-E384 WeakPolarHBondContact CB-O 3.37Å; C376-E384 PolarHBondContact N-O 3.07Å; C376-F386 HydrophobicContact CB-CD2 4.48Å; C376-F386 HydrophobicContact CB-CE2 3.96Å; C376-W401 HydrophobicContact CB-CE3 4.39Å; C376-W401 HydrophobicContact CB-CZ3 4.1Å; C376-C403 HydrophobicContact CB-CB 4.34Å; C376-C403 PolarHBondContact SG-N 2.89Å; C376-C403 VanDerWaalsContact SG-N 3.36Å; C376-C406 VanDerWaalsContact SG-SG 3.7Å
377	D	88.6	Confident	85.7	Confident	65 Å²	65	64.7 Å²	64.7	35%	0.348	35%	0.351	S	S	.	.	S	Bend	trans	-60.1	-11.8	-178.2	-84.9	-82.5	0	0	0	115.2	Q379 K400 W401 Y402	D377-Q379 PolarHBondContact O-N 3.31Å; D377-K400 WeakPolarHBondContact OD2-CA 3.46Å; D377-K400 WeakPolarHBondContact OD2-CB 3.42Å; D377-W401 PolarHBondContact N-O 3.14Å; D377-W401 PolarHBondContact OD2-N 2.99Å; D377-Y402 HydrophobicContact CB-CD1 3.95Å; D377-Y402 HydrophobicContact CB-CE1 3.48Å; D377-Y402 VanDerWaalsContact CB-CE1 3.48Å
378	N	84.8	Confident	86.1	Confident	31 Å²	31	62.5 Å²	62.5	17%	0.166	34%	0.34	C	S	.	.			trans	-82.1	107	179.9	-177.9	85.5	0	0	0	110.7	C376 D380 C381 Y402 C406 M410	C376-N378 PolarHBondContact O-N 3.16Å; N378-D380 VanDerWaalsContact ND2-C 3.27Å; N378-D380 WeakPolarHBondContact ND2-CA 2.99Å; N378-D380 WeakPolarHBondContact ND2-CB 3.45Å; N378-D380 PolarHBondContact ND2-N 3.23Å; N378-D380 PolarHBondContact O-N 2.92Å; N378-C381 PolarHBondContact ND2-N 2.9Å; N378-C381 WeakPolarHBondContact O-CB 3.28Å; N378-C381 PolarHBondContact O-N 3.04Å; N378-Y402 HydrophobicContact CB-CD1 3.92Å; N378-Y402 HydrophobicContact CB-CE1 4.27Å; N378-C406 HydrophobicContact CB-CB 4.1Å; N378-M410 HydrophobicContact CB-CE 4.19Å; N378-M410 WeakPolarHBondContact OD1-CE 3.46Å
379	Q	81.4	Confident	86.1	Confident	175 Å²	175	64.8 Å²	64.8	82%	0.818	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-23.2	-179.6	-56.6	-67.8	-75.1	0	0	114.1	D377 C381	D377-Q379 PolarHBondContact O-N 3.31Å; Q379-C381 VanDerWaalsContact C-N 3.25Å; Q379-C381 PolarHBondContact O-N 3.2Å
380	D	80.7	Confident	86.3	Confident	126 Å²	126	63.8 Å²	63.8	67%	0.674	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	25.6	172.8	-52.2	-40.9	0	0	0	113.1	N378	N378-D380 VanDerWaalsContact ND2-C 3.27Å; N378-D380 WeakPolarHBondContact ND2-CA 2.99Å; N378-D380 WeakPolarHBondContact ND2-CB 3.45Å; N378-D380 PolarHBondContact ND2-N 3.23Å; N378-D380 PolarHBondContact O-N 2.92Å
381	C	83.8	Confident	86.5	Confident	7 Å²	7	59.8 Å²	59.8	5%	0.047	35%	0.348	C	S	.	.			trans	-93.7	120.3	-176.1	-167	0	0	0	0	111.9	C376 N378 Q379 I383 E384	C376-C381 HydrophobicContact CB-CB 4.33Å; N378-C381 PolarHBondContact ND2-N 2.9Å; N378-C381 WeakPolarHBondContact O-CB 3.28Å; N378-C381 PolarHBondContact O-N 3.04Å; Q379-C381 VanDerWaalsContact C-N 3.25Å; Q379-C381 PolarHBondContact O-N 3.2Å; C381-I383 PolarHBondContact O-N 2.89Å; C381-E384 WeakPolarHBondContact O-CG 3.42Å
382	P	81.4	Confident	86.6	Confident	112 Å²	112	59.3 Å²	59.3	73%	0.727	34%	0.343	S	S	*	.	S	Bend	trans	-78.2	0.2	-173.2	32.5	-37.9	0	0	0	115.3
383	I	82.4	Confident	86.5	Confident	42 Å²	42	55.2 Å²	55.2	22%	0.215	33%	0.325	C	S	.	.	S	Bend	trans	-123.4	-29.1	-177.5	-64	172.6	0	0	0	111.2	C363 C381 W385 F386	C363-I383 VanDerWaalsContact N-CG2 3.3Å; C381-I383 PolarHBondContact O-N 2.89Å; I383-W385 WeakPolarHBondContact CG2-O 3.46Å; I383-W385 PolarHBondContact O-N 3.27Å; I383-F386 HydrophobicContact CB-CE1 4.21Å; I383-F386 HydrophobicContact CB-CE2 4.4Å; I383-F386 HydrophobicContact CB-CZ 3.74Å; I383-F386 HydrophobicContact CD1-CE1 4.29Å; I383-F386 HydrophobicContact CD1-CZ 4.45Å; I383-F386 HydrophobicContact CG2-CD1 4.4Å; I383-F386 HydrophobicContact CG2-CE1 3.8Å; I383-F386 HydrophobicContact CG2-CE2 4.22Å; I383-F386 HydrophobicContact CG2-CZ 3.69Å
384	E	88.3	Confident	86.1	Confident	107 Å²	107	59.1 Å²	59.1	50%	0.5	35%	0.352	S	S	.	.			trans	57.9	-52.9	-177.5	-58.5	-174.8	168.9	0	0	116.2	G375 C376 C381 F386	G375-E384 CarbonylContact C-O 3.59Å; G375-E384 WeakPolarHBondContact CA-O 3.43Å; C376-E384 WeakPolarHBondContact CB-O 3.37Å; C376-E384 PolarHBondContact N-O 3.07Å; C381-E384 WeakPolarHBondContact O-CG 3.42Å; E384-F386 WeakPolarHBondContact O-CE2 3.29Å
385	W	89.7	Confident	85.7	Confident	116 Å²	116	64.7 Å²	64.7	44%	0.439	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.3	-169.3	-60.6	89.7	0	0	0	113.2	Y362 C363 M373 V374 I383	Y362-W385 HydrophobicContact CD1-CB 3.94Å; Y362-W385 HydrophobicContact CD1-CG 4.33Å; Y362-W385 AromaticContact CE1-CD1 3.96Å; Y362-W385 HydrophobicContact CG-CB 4.23Å; C363-W385 VanDerWaalsContact CA-O 3.28Å; C363-W385 WeakPolarHBondContact CA-O 3.35Å; C363-W385 PolarHBondContact N-O 3.06Å; M373-W385 HydrophobicContact CE-CB 3.88Å; V374-W385 WeakPolarHBondContact O-CA 3.26Å; I383-W385 WeakPolarHBondContact CG2-O 3.46Å; I383-W385 PolarHBondContact O-N 3.27Å
386	F	91	Very high	85.5	Confident	1 Å²	1	66.3 Å²	66.3	0%	0.004	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.9	-175.4	-58.6	-98.1	0	0	0	112	C363 I364 M373 V374 C376 I383 E384 V391 W401 C403	C363-F386 HydrophobicContact CB-CB 4.44Å; C363-F386 HydrophobicContact CB-CD1 4.36Å; C363-F386 VanDerWaalsContact SG-CA 3.58Å; I364-F386 HydrophobicContact CG2-CD1 4.22Å; I364-F386 HydrophobicContact CG2-CE1 3.88Å; M373-F386 CarbonylContact C-O 3.57Å; M373-F386 VanDerWaalsContact CA-O 3.3Å; M373-F386 WeakPolarHBondContact CA-O 3.48Å; V374-F386 HydrophobicContact CG1-CB 4.11Å; V374-F386 WeakPolarHBondContact CG1-O 3.45Å; V374-F386 PolarHBondContact N-O 2.96Å; V374-F386 PolarHBondContact O-N 3.19Å; C376-F386 HydrophobicContact CB-CD2 4.48Å; C376-F386 HydrophobicContact CB-CE2 3.96Å; I383-F386 HydrophobicContact CB-CE1 4.21Å; I383-F386 HydrophobicContact CB-CE2 4.4Å; I383-F386 HydrophobicContact CB-CZ 3.74Å; I383-F386 HydrophobicContact CD1-CE1 4.29Å; I383-F386 HydrophobicContact CD1-CZ 4.45Å; I383-F386 HydrophobicContact CG2-CD1 4.4Å; I383-F386 HydrophobicContact CG2-CE1 3.8Å; I383-F386 HydrophobicContact CG2-CE2 4.22Å; I383-F386 HydrophobicContact CG2-CZ 3.69Å; E384-F386 WeakPolarHBondContact O-CE2 3.29Å; F386-V391 HydrophobicContact CB-CG1 3.71Å; F386-V391 HydrophobicContact CD1-CG1 4.07Å; F386-V391 HydrophobicContact CG-CG1 4.13Å; F386-W401 HydrophobicContact CB-CH2 4.21Å; F386-W401 AromaticContact CD2-CH2 3.99Å; F386-W401 HydrophobicContact CD2-CH2 3.99Å; F386-W401 AromaticContact CD2-CZ3 3.85Å; F386-W401 HydrophobicContact CD2-CZ3 3.85Å; F386-W401 HydrophobicContact CE2-CZ3 4.45Å; F386-W401 HydrophobicContact CG-CH2 4.12Å; F386-W401 HydrophobicContact CG-CZ3 4.42Å; F386-C403 HydrophobicContact CD1-CB 4.41Å; F386-C403 HydrophobicContact CD2-CB 4Å; F386-C403 HydrophobicContact CE1-CB 3.93Å; F386-C403 HydrophobicContact CE2-CB 3.48Å; F386-C403 VanDerWaalsContact CE2-CB 3.48Å; F386-C403 HydrophobicContact CG-CB 4.46Å; F386-C403 HydrophobicContact CZ-CB 3.45Å; F386-C403 VanDerWaalsContact CZ-CB 3.45Å
387	H	91	Very high	85	Confident	3 Å²	3	67.9 Å²	67.9	1%	0.014	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138.2	174.2	-41.9	95.7	0	0	0	111	C363 C365 V368 Y370 G389 C390 V391	C363-H387 WeakPolarHBondContact CB-ND1 3.35Å; C363-H387 PolarHBondContact SG-N 2.93Å; C363-H387 VanDerWaalsContact SG-N 3.44Å; C365-H387 PolarHBondContact SG-CE1 2.86Å; C365-H387 PolarHBondContact SG-ND1 3.38Å; C365-H387 VanDerWaalsContact SG-ND1 3.38Å; V368-H387 PolarHBondContact O-NE2 2.88Å; Y370-H387 AromaticContact CD1-CD2 3.62Å; Y370-H387 AromaticContact CD1-CE1 3.93Å; Y370-H387 AromaticContact CD1-NE2 3.32Å; Y370-H387 VanDerWaalsContact CD1-NE2 3.32Å; Y370-H387 WeakPolarHBondContact CD1-NE2 3.32Å; Y370-H387 AromaticContact CE1-CD2 3.64Å; Y370-H387 AromaticContact CE1-CE1 3.52Å; Y370-H387 AromaticContact CE1-CG 3.89Å; Y370-H387 AromaticContact CE1-ND1 3.86Å; Y370-H387 AromaticContact CE1-NE2 3.38Å; Y370-H387 WeakPolarHBondContact CE1-NE2 3.45Å; Y370-H387 HydrophobicContact CE2-CB 4.34Å; Y370-H387 AromaticContact CG-CD2 3.84Å; Y370-H387 AromaticContact CG-NE2 3.97Å; Y370-H387 AromaticContact CZ-CD2 3.88Å; Y370-H387 AromaticContact CZ-CG 3.8Å; Y370-H387 PolarHBondContact O-CD2 3.23Å; Y370-H387 VanDerWaalsContact O-CD2 3.3Å; H387-G389 PolarHBondContact O-N 3.27Å; H387-C390 HydrophobicContact CB-CB 4.38Å; H387-C390 WeakPolarHBondContact O-CB 3.43Å; H387-C390 PolarHBondContact O-N 3.34Å; H387-V391 PolarHBondContact O-N 3.32Å
388	Y	89.5	Confident	84.3	Confident	29 Å²	29	74.3 Å²	74.3	11%	0.114	42%	0.422	C	S	.	.	H	α-helix	trans	-51.8	-50.7	-174.9	-84	22.6	0	0	0	113.1	E372 V374 C390 V391 G392 L393 A396	E372-Y388 HydrophobicContact CB-CD1 3.97Å; E372-Y388 HydrophobicContact CB-CD2 3.6Å; E372-Y388 HydrophobicContact CB-CE1 3.98Å; E372-Y388 HydrophobicContact CB-CE2 3.64Å; E372-Y388 HydrophobicContact CB-CG 3.77Å; E372-Y388 HydrophobicContact CG-CD2 4.44Å; E372-Y388 HydrophobicContact CG-CE2 4.28Å; E372-Y388 WeakPolarHBondContact O-CD1 3.27Å; E372-Y388 PolarHBondContact O-N 3.34Å; E372-Y388 VanDerWaalsContact OE2-CD2 3.28Å; E372-Y388 WeakPolarHBondContact OE2-CD2 3.22Å; E372-Y388 WeakPolarHBondContact OE2-CE2 3.42Å; V374-Y388 HydrophobicContact CB-CD1 4.25Å; V374-Y388 HydrophobicContact CB-CE1 3.91Å; V374-Y388 HydrophobicContact CG1-CD1 4.48Å; Y388-C390 VanDerWaalsContact C-N 3.27Å; Y388-C390 PolarHBondContact O-N 2.58Å; Y388-V391 CarbonylContact O-C 3.53Å; Y388-V391 WeakPolarHBondContact O-CG2 3.36Å; Y388-V391 PolarHBondContact O-N 3.42Å; Y388-V391 VanDerWaalsContact O-N 3.08Å; Y388-G392 PolarHBondContact O-N 3.1Å; Y388-L393 CarbonylContact C-O 3.48Å; Y388-L393 HydrophobicContact CD1-CB 4.41Å; Y388-L393 HydrophobicContact CD1-CD1 4.42Å; Y388-L393 HydrophobicContact CD2-CB 4.34Å; Y388-L393 HydrophobicContact CG-CB 4.03Å; Y388-L393 PolarHBondContact O-N 2.88Å; Y388-A396 WeakPolarHBondContact OH-CA 3.14Å; Y388-A396 WeakPolarHBondContact OH-CB 3.27Å
389	G	84.6	Confident	84.3	Confident	71 Å²	71	75.8 Å²	75.8	73%	0.732	45%	0.445	S	S	*	.	H	α-helix	trans	-62.6	-28.2	179.5	0	0	0	0	0	114.4	H387 V391	H387-G389 PolarHBondContact O-N 3.27Å; G389-V391 VanDerWaalsContact C-N 3.32Å
390	C	86.3	Confident	84.5	Confident	40 Å²	40	74.9 Å²	74.9	27%	0.27	44%	0.438	S	S	.	.	H	α-helix	trans	-78.1	-15.2	177.1	-66.3	0	0	0	0	113.4	C363 I364 H387 Y388	C363-C390 WeakPolarHBondContact SG-CB 3.38Å; I364-C390 HydrophobicContact CG1-CB 4.42Å; H387-C390 HydrophobicContact CB-CB 4.38Å; H387-C390 WeakPolarHBondContact O-CB 3.43Å; H387-C390 PolarHBondContact O-N 3.34Å; Y388-C390 VanDerWaalsContact C-N 3.27Å; Y388-C390 PolarHBondContact O-N 2.58Å
391	V	85.1	Confident	84.9	Confident	31 Å²	31	70.7 Å²	70.7	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-116.7	5.8	176.8	-63	0	0	0	0	113.7	V374 F386 H387 Y388 G389 L393 W401	V374-V391 HydrophobicContact CG1-CG2 4.07Å; F386-V391 HydrophobicContact CB-CG1 3.71Å; F386-V391 HydrophobicContact CD1-CG1 4.07Å; F386-V391 HydrophobicContact CG-CG1 4.13Å; H387-V391 PolarHBondContact O-N 3.32Å; Y388-V391 CarbonylContact O-C 3.53Å; Y388-V391 WeakPolarHBondContact O-CG2 3.36Å; Y388-V391 PolarHBondContact O-N 3.42Å; Y388-V391 VanDerWaalsContact O-N 3.08Å; G389-V391 VanDerWaalsContact C-N 3.32Å; V391-L393 VanDerWaalsContact C-N 3.35Å; V391-L393 HydrophobicContact CG2-CB 4.32Å; V391-L393 HydrophobicContact CG2-CD1 3.81Å; V391-L393 HydrophobicContact CG2-CG 3.92Å; V391-W401 HydrophobicContact CB-CH2 4.34Å; V391-W401 HydrophobicContact CB-CZ2 3.96Å; V391-W401 HydrophobicContact CG1-CH2 4.05Å; V391-W401 HydrophobicContact CG1-CZ2 4.16Å; V391-W401 HydrophobicContact CG2-CH2 4.25Å; V391-W401 HydrophobicContact CG2-CZ2 3.88Å
392	G	85.4	Confident	85.1	Confident	69 Å²	69	73.9 Å²	73.9	71%	0.711	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	23.8	178.4	0	0	0	0	0	114.4	Y388	Y388-G392 PolarHBondContact O-N 3.1Å
393	L	83.7	Confident	85.5	Confident	37 Å²	37	68.6 Å²	68.6	19%	0.194	39%	0.39	C	S	.	.			trans	-89.9	149.7	169.9	-68	173.2	0	0	0	110.3	V374 Y388 V391 P397 W401	V374-L393 HydrophobicContact CB-CD1 4.11Å; V374-L393 HydrophobicContact CG1-CD1 3.73Å; V374-L393 HydrophobicContact CG2-CD1 4.31Å; Y388-L393 CarbonylContact C-O 3.48Å; Y388-L393 HydrophobicContact CD1-CB 4.41Å; Y388-L393 HydrophobicContact CD1-CD1 4.42Å; Y388-L393 HydrophobicContact CD2-CB 4.34Å; Y388-L393 HydrophobicContact CG-CB 4.03Å; Y388-L393 PolarHBondContact O-N 2.88Å; V391-L393 VanDerWaalsContact C-N 3.35Å; V391-L393 HydrophobicContact CG2-CB 4.32Å; V391-L393 HydrophobicContact CG2-CD1 3.81Å; V391-L393 HydrophobicContact CG2-CG 3.92Å; L393-P397 HydrophobicContact CD1-CG 4.27Å; L393-W401 HydrophobicContact CD1-CZ2 4.38Å
394	T	81.3	Confident	85.7	Confident	127 Å²	127	70.2 Å²	70.2	78%	0.779	40%	0.404	S	S	*	.	S	Bend	trans	-129.8	-4.2	173	59.6	0	0	0	0	112.8
395	E	81.6	Confident	85.5	Confident	128 Å²	128	70.1 Å²	70.1	60%	0.598	40%	0.403	S	S	*	.	S	Bend	trans	-149.1	158.2	177.9	-70	-173.8	-167.7	0	0	108.6
396	A	83.9	Confident	85.4	Confident	62 Å²	62	65 Å²	65	51%	0.512	39%	0.385	S	S	.	.			trans	-60.8	124.6	175	0	0	0	0	0	112	Y388 K398	Y388-A396 WeakPolarHBondContact OH-CA 3.14Å; Y388-A396 WeakPolarHBondContact OH-CB 3.27Å; A396-K398 PolarHBondContact O-N 3.3Å
397	P	80.4	Confident	85.2	Confident	46 Å²	46	68.3 Å²	68.3	30%	0.299	41%	0.406	S	S	.	.			trans	-68	131.5	-178.4	26.1	-32.4	0	0	0	111.3	V374 L393 G399 W401	V374-P397 HydrophobicContact CG2-CG 3.85Å; L393-P397 HydrophobicContact CD1-CG 4.27Å; P397-G399 PolarHBondContact O-N 3.1Å; P397-G399 VanDerWaalsContact O-N 3.12Å; P397-W401 HydrophobicContact CB-CB 4.18Å; P397-W401 HydrophobicContact CB-CG 4.31Å; P397-W401 HydrophobicContact CG-CB 3.8Å; P397-W401 HydrophobicContact CG-CG 3.92Å
398	K	75	Confident	84.9	Confident	200 Å²	200	70.5 Å²	70.5	87%	0.87	42%	0.424	S	S	*	.	S	Bend	trans	-83.1	91.4	-175.5	-69.9	170.2	-175.8	159.4	0	110.9	A396	A396-K398 PolarHBondContact O-N 3.3Å
399	G	83.8	Confident	84.6	Confident	62 Å²	62	70.8 Å²	70.8	64%	0.639	43%	0.433	S	S	*	.	S	Bend	trans	110.8	-156.9	-179	0	0	0	0	0	111.8	P397	P397-G399 PolarHBondContact O-N 3.1Å; P397-G399 VanDerWaalsContact O-N 3.12Å
400	K	85.6	Confident	84.5	Confident	156 Å²	156	71 Å²	71	68%	0.678	42%	0.416	S	S	*	.			trans	-70.2	133.9	-173.6	-65.5	-162.4	172.4	-158.5	0	112.8	D377 Y402	D377-K400 WeakPolarHBondContact OD2-CA 3.46Å; D377-K400 WeakPolarHBondContact OD2-CB 3.42Å; K400-Y402 HydrophobicContact CB-CE2 4.42Å
401	W	89.8	Confident	84.2	Confident	39 Å²	39	77.3 Å²	77.3	15%	0.148	44%	0.438	C	S	.	.			trans	-126	141.2	-180	-175.8	90.8	0	0	0	112	V374 C376 D377 F386 V391 L393 P397 C403	V374-W401 HydrophobicContact CB-CE3 4.36Å; V374-W401 HydrophobicContact CB-CZ3 4.46Å; V374-W401 HydrophobicContact CG1-CD2 4.18Å; V374-W401 HydrophobicContact CG1-CE3 3.88Å; V374-W401 HydrophobicContact CG1-CH2 3.6Å; V374-W401 HydrophobicContact CG1-CZ2 3.93Å; V374-W401 HydrophobicContact CG1-CZ3 3.58Å; V374-W401 HydrophobicContact CG2-CB 4.29Å; V374-W401 HydrophobicContact CG2-CD2 3.73Å; V374-W401 HydrophobicContact CG2-CE3 3.57Å; V374-W401 HydrophobicContact CG2-CG 4.06Å; V374-W401 HydrophobicContact CG2-CZ3 4.12Å; C376-W401 HydrophobicContact CB-CE3 4.39Å; C376-W401 HydrophobicContact CB-CZ3 4.1Å; D377-W401 PolarHBondContact N-O 3.14Å; D377-W401 PolarHBondContact OD2-N 2.99Å; F386-W401 HydrophobicContact CB-CH2 4.21Å; F386-W401 AromaticContact CD2-CH2 3.99Å; F386-W401 HydrophobicContact CD2-CH2 3.99Å; F386-W401 AromaticContact CD2-CZ3 3.85Å; F386-W401 HydrophobicContact CD2-CZ3 3.85Å; F386-W401 HydrophobicContact CE2-CZ3 4.45Å; F386-W401 HydrophobicContact CG-CH2 4.12Å; F386-W401 HydrophobicContact CG-CZ3 4.42Å; V391-W401 HydrophobicContact CB-CH2 4.34Å; V391-W401 HydrophobicContact CB-CZ2 3.96Å; V391-W401 HydrophobicContact CG1-CH2 4.05Å; V391-W401 HydrophobicContact CG1-CZ2 4.16Å; V391-W401 HydrophobicContact CG2-CH2 4.25Å; V391-W401 HydrophobicContact CG2-CZ2 3.88Å; L393-W401 HydrophobicContact CD1-CZ2 4.38Å; P397-W401 HydrophobicContact CB-CB 4.18Å; P397-W401 HydrophobicContact CB-CG 4.31Å; P397-W401 HydrophobicContact CG-CB 3.8Å; P397-W401 HydrophobicContact CG-CG 3.92Å; W401-C403 VanDerWaalsContact CH2-CA 3.45Å; W401-C403 HydrophobicContact CH2-CB 3.68Å; W401-C403 HydrophobicContact CZ3-CB 3.85Å
402	Y	88.4	Confident	83.7	Confident	74 Å²	74	84.6 Å²	84.6	29%	0.29	46%	0.462	S	S	.	.			trans	-131.5	131.4	-179.2	-55.9	-72.9	0	0	0	110.2	D377 N378 K400 T407 M410	D377-Y402 HydrophobicContact CB-CD1 3.95Å; D377-Y402 HydrophobicContact CB-CE1 3.48Å; D377-Y402 VanDerWaalsContact CB-CE1 3.48Å; N378-Y402 HydrophobicContact CB-CD1 3.92Å; N378-Y402 HydrophobicContact CB-CE1 4.27Å; K400-Y402 HydrophobicContact CB-CE2 4.42Å; Y402-T407 PolarHBondContact O-OG1 3.26Å; Y402-T407 VanDerWaalsContact O-OG1 3.13Å; Y402-M410 HydrophobicContact CD1-CE 3.84Å; Y402-M410 HydrophobicContact CE1-CE 3.74Å; Y402-M410 HydrophobicContact CG-CE 4.33Å
403	C	89.3	Confident	83	Confident	0 Å²	0	90 Å²	90	0%	0	46%	0.461	C	S	.	.			trans	-61.7	161.1	-179.9	79	0	0	0	0	112.2	C376 F386 W401 Q405 C406 T407	C376-C403 HydrophobicContact CB-CB 4.34Å; C376-C403 PolarHBondContact SG-N 2.89Å; C376-C403 VanDerWaalsContact SG-N 3.36Å; F386-C403 HydrophobicContact CD1-CB 4.41Å; F386-C403 HydrophobicContact CD2-CB 4Å; F386-C403 HydrophobicContact CE1-CB 3.93Å; F386-C403 HydrophobicContact CE2-CB 3.48Å; F386-C403 VanDerWaalsContact CE2-CB 3.48Å; F386-C403 HydrophobicContact CG-CB 4.46Å; F386-C403 HydrophobicContact CZ-CB 3.45Å; F386-C403 VanDerWaalsContact CZ-CB 3.45Å; W401-C403 VanDerWaalsContact CH2-CA 3.45Å; W401-C403 HydrophobicContact CH2-CB 3.68Å; W401-C403 HydrophobicContact CZ3-CB 3.85Å; C403-Q405 PolarHBondContact O-N 3.09Å; C403-Q405 VanDerWaalsContact O-N 3.1Å; C403-C406 PolarHBondContact O-N 2.83Å; C403-T407 PolarHBondContact O-N 3.43Å; C403-T407 PolarHBondContact O-OG1 3.43Å
404	P	85.9	Confident	82	Confident	77 Å²	77	90.9 Å²	90.9	50%	0.5	48%	0.479	S	S	.	.	H	α-helix	trans	-54.3	-35.7	-176.7	-28.7	36	0	0	0	113.9	A408	P404-A408 VanDerWaalsContact O-CB 3.3Å; P404-A408 WeakPolarHBondContact O-CB 3.39Å; P404-A408 PolarHBondContact O-N 3.42Å
405	Q	85.3	Confident	80.9	Confident	105 Å²	105	89.6 Å²	89.6	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-68.1	-46.3	177.7	-59.1	-176	7.1	0	0	112.2	C403 A408 A409	C403-Q405 PolarHBondContact O-N 3.09Å; C403-Q405 VanDerWaalsContact O-N 3.1Å; Q405-A408 PolarHBondContact O-N 2.91Å; Q405-A409 WeakPolarHBondContact O-CB 3.42Å; Q405-A409 PolarHBondContact O-N 3.06Å
406	C	87.7	Confident	79.7	Confident	9 Å²	9	94 Å²	94	6%	0.061	49%	0.487	C	S	.	.	H	α-helix	trans	-65.7	-43.8	178.2	-68.2	0	0	0	0	111.2	C376 N378 C403 A408 A409 M410	C376-C406 VanDerWaalsContact SG-SG 3.7Å; N378-C406 HydrophobicContact CB-CB 4.1Å; C403-C406 PolarHBondContact O-N 2.83Å; C406-A408 VanDerWaalsContact C-N 3.34Å; C406-A408 PolarHBondContact O-N 3.45Å; C406-A409 WeakPolarHBondContact O-CB 3.38Å; C406-A409 PolarHBondContact O-N 3.22Å; C406-A409 VanDerWaalsContact O-N 3.11Å; C406-M410 WeakPolarHBondContact O-CG 3.37Å; C406-M410 PolarHBondContact O-N 3.44Å
407	T	86.3	Confident	78.3	Confident	70 Å²	70	99.7 Å²	99.7	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-58	-44.1	174.5	-64.3	0	0	0	0	111.7	Y402 C403 K411	Y402-T407 PolarHBondContact O-OG1 3.26Å; Y402-T407 VanDerWaalsContact O-OG1 3.13Å; C403-T407 PolarHBondContact O-N 3.43Å; C403-T407 PolarHBondContact O-OG1 3.43Å; T407-K411 WeakPolarHBondContact O-CB 3.48Å; T407-K411 PolarHBondContact O-N 3.41Å
408	A	84.6	Confident	76.6	Confident	49 Å²	49	110 Å²	110	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-68.4	-31.7	175.2	0	0	0	0	0	113.5	P404 Q405 C406 R412	P404-A408 VanDerWaalsContact O-CB 3.3Å; P404-A408 WeakPolarHBondContact O-CB 3.39Å; P404-A408 PolarHBondContact O-N 3.42Å; Q405-A408 PolarHBondContact O-N 2.91Å; C406-A408 VanDerWaalsContact C-N 3.34Å; C406-A408 PolarHBondContact O-N 3.45Å; A408-R412 WeakPolarHBondContact O-CG 3.3Å; A408-R412 PolarHBondContact O-N 3.23Å; A408-R412 PolarHBondContact O-NE 3.36Å
409	A	83	Confident	76.7	Confident	35 Å²	35	105.5 Å²	105.5	29%	0.289	53%	0.526	S	S	.	.	H	α-helix	trans	-68.9	-46.5	174	0	0	0	0	0	111.9	Q405 C406 R412 R413	Q405-A409 WeakPolarHBondContact O-CB 3.42Å; Q405-A409 PolarHBondContact O-N 3.06Å; C406-A409 WeakPolarHBondContact O-CB 3.38Å; C406-A409 PolarHBondContact O-N 3.22Å; C406-A409 VanDerWaalsContact O-N 3.11Å; A409-R412 PolarHBondContact O-N 3.43Å; A409-R413 PolarHBondContact O-N 3.45Å; A409-R413 VanDerWaalsContact O-N 3.09Å
410	M	81.7	Confident	76.3	Confident	76 Å²	76	107.7 Å²	107.7	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-45.9	176.2	-68.6	-176.6	-176.5	0	0	111.6	N378 Y402 C406 R412 R413 G414	N378-M410 HydrophobicContact CB-CE 4.19Å; N378-M410 WeakPolarHBondContact OD1-CE 3.46Å; Y402-M410 HydrophobicContact CD1-CE 3.84Å; Y402-M410 HydrophobicContact CE1-CE 3.74Å; Y402-M410 HydrophobicContact CG-CE 4.33Å; C406-M410 WeakPolarHBondContact O-CG 3.37Å; C406-M410 PolarHBondContact O-N 3.44Å; M410-R412 VanDerWaalsContact C-N 3.3Å; M410-R412 PolarHBondContact O-N 3.3Å; M410-R413 PolarHBondContact O-N 2.69Å; M410-R413 VanDerWaalsContact O-N 3.09Å; M410-G414 PolarHBondContact O-N 3.12Å
411	K	79.7	Confident	75.8	Confident	171 Å²	171	105.1 Å²	105.1	74%	0.743	51%	0.511	S	S	*	.	H	α-helix	trans	-58.5	-38.5	177.7	-169.4	172.1	-177.5	176.4	0	112.7	T407 S415	T407-K411 WeakPolarHBondContact O-CB 3.48Å; T407-K411 PolarHBondContact O-N 3.41Å; K411-S415 PolarHBondContact O-N 2.8Å
412	R	75	Confident	74.9	Confident	185 Å²	185	108.9 Å²	108.9	70%	0.698	53%	0.532	S	S	*	.	H	α-helix	trans	-70.3	-35	174.8	-73.7	-174.9	-63.5	154.7	-0.4	113.5	A408 A409 M410	A408-R412 WeakPolarHBondContact O-CG 3.3Å; A408-R412 PolarHBondContact O-N 3.23Å; A408-R412 PolarHBondContact O-NE 3.36Å; A409-R412 PolarHBondContact O-N 3.43Å; M410-R412 VanDerWaalsContact C-N 3.3Å; M410-R412 PolarHBondContact O-N 3.3Å
413	R	70.6	Confident	74.1	Confident	181 Å²	181	111.1 Å²	111.1	68%	0.683	55%	0.548	S	S	*	.	H	α-helix	trans	-67.1	-44.4	174.9	-73.7	-178.2	174.4	172.9	-0	111.3	A409 M410 S415 R416	A409-R413 PolarHBondContact O-N 3.45Å; A409-R413 VanDerWaalsContact O-N 3.09Å; M410-R413 PolarHBondContact O-N 2.69Å; M410-R413 VanDerWaalsContact O-N 3.09Å; R413-S415 VanDerWaalsContact C-N 3.34Å; R413-S415 PolarHBondContact O-N 3.35Å; R413-R416 PolarHBondContact O-N 3.48Å
414	G	64.1	Low	73.1	Confident	56 Å²	56	118.5 Å²	118.5	58%	0.577	58%	0.584	S	S	*	*	H	α-helix	trans	-62.3	-34.5	178.5	0	0	0	0	0	114.3	M410 R416	M410-G414 PolarHBondContact O-N 3.12Å; G414-R416 PolarHBondContact O-N 3.49Å
415	S	58.2	Low	72.2	Confident	100 Å²	100	121.5 Å²	121.5	70%	0.699	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-0.5	177.7	-166.8	0	0	0	0	114.8	K411 R413	K411-S415 PolarHBondContact O-N 2.8Å; R413-S415 VanDerWaalsContact C-N 3.34Å; R413-S415 PolarHBondContact O-N 3.35Å
416	R	56.3	Low	71.2	Confident	222 Å²	222	122.8 Å²	122.8	84%	0.838	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	12.8	-175.4	-149	175.2	-173	169.8	2	113.4	R413 G414	R413-R416 PolarHBondContact O-N 3.48Å; G414-R416 PolarHBondContact O-N 3.49Å
417	H	54.4	Low	69.8	Low	181 Å²	181	132.3 Å²	132.3	84%	0.838	64%	0.642	S	S	*	*			trans	-131.4	32.7	-178.7	-88.6	77.6	0	0	0	111.7
418	K	43.4	Very low	68.3	Low	261 Å²	261	137.9 Å²	137.9	100%	1.135	66%	0.662	S	S	*	*			trans	-142.2	0	176.7	-171.1	177.2	-178.2	-178.1	0	110

Retrieved 418 of 418 residues in 51.1 ms (Link to these results)

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