A0A077ZCJ5_TRITR Loading...

Transcription state regulatory protein AbrB

AlphaFold DB , UniProt , Accession A0A077ZCJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 aa.

						>A0A077ZCJ5_TRITR|A0A077ZCJ5
MKQIFVLLILSGYACAQLFPPGGYSVLQSVIAARPPGFQLYDRSFYGGKNACEALSDVADRQLQWARTSNLPSDQKKRYMDTLRTIKREAKKAGRKNQDLMQCSQFLNLYMRPAGGYGYGYRPGYPRPIYPGWG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	45.3	Very low	244 Å²	244	153.1 Å²	153.1	100%	1.202	78%	0.775	S	S	*	*				0	73.2	0	-60.9	179.1	-143.8	0	0	110.1
2	K	42.4	Very low	44.7	Very low	209 Å²	209	145.2 Å²	145.2	91%	0.909	76%	0.76	S	S	*	*			trans	-143.2	59.7	-178.4	-77.9	-174.5	174.5	178.1	0	110
3	Q	48.1	Very low	44.3	Very low	180 Å²	180	149.2 Å²	149.2	84%	0.841	76%	0.761	S	S	*	*			trans	-147.2	16.6	175.4	-97.2	-165	-7.9	0	0	114.2
4	I	52.5	Low	44	Very low	151 Å²	151	144.9 Å²	144.9	77%	0.774	76%	0.76	S	S	*	*	S	Bend	trans	-94.4	-8.7	178.3	-63.4	173.2	0	0	0	112.1
5	F	43.3	Very low	44.1	Very low	178 Å²	178	140.5 Å²	140.5	78%	0.781	75%	0.745	S	S	*	*	S	Bend	trans	-89.6	-4.4	-174	-107.6	-87.2	0	0	0	116.2
6	V	46.9	Very low	44.9	Very low	110 Å²	110	136.4 Å²	136.4	67%	0.667	74%	0.737	S	S	*	*	S	Bend	trans	-91	-16.9	-177.3	-176.5	0	0	0	0	112.6
7	L	43.1	Very low	46.2	Very low	136 Å²	136	135.9 Å²	135.9	71%	0.712	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-9.7	-178.4	-80.6	163.1	0	0	0	114.9	L10	L7-L10 HydrophobicContact CD2-CD1 4.49Å
8	L	44.2	Very low	47.6	Very low	124 Å²	124	130.2 Å²	130.2	65%	0.649	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-2.3	177.5	-81.1	165.3	0	0	0	114.4	S11	L8-S11 PolarHBondContact O-OG 3.14Å
9	I	48.4	Very low	49.2	Very low	126 Å²	126	123.8 Å²	123.8	65%	0.646	66%	0.663	S	S	*	*	S	Bend	trans	-94.5	-12.4	175.6	-50.4	-179.8	0	0	0	111.3
10	L	43.3	Very low	50.6	Low	135 Å²	135	121 Å²	121	71%	0.707	65%	0.652	S	S	*	*	S	Bend	trans	-85.9	-10.7	177.8	-88.7	145.9	0	0	0	114.4	L7	L7-L10 HydrophobicContact CD2-CD1 4.49Å
11	S	42.1	Very low	51.5	Low	91 Å²	91	120.4 Å²	120.4	64%	0.636	65%	0.654	S	S	*	*	S	Bend	trans	-95.2	-7.9	-177.2	52.4	0	0	0	0	114.8	L8	L8-S11 PolarHBondContact O-OG 3.14Å
12	G	38	Very low	53.2	Low	58 Å²	58	110.7 Å²	110.7	60%	0.598	62%	0.617	S	S	*	*	S	Bend	trans	-95.9	-14.1	-175.2	0	0	0	0	0	116.2
13	Y	39.3	Very low	55	Low	197 Å²	197	100.9 Å²	100.9	77%	0.773	58%	0.575	S	S	*	*			trans	-127.8	6.7	-166.1	-71.1	-81.3	0	0	0	115.7	C15	Y13-C15 PolarHBondContact O-N 3.07Å
14	A	40.7	Very low	56.8	Low	90 Å²	90	96.1 Å²	96.1	74%	0.744	55%	0.55	S	S	*	*			trans	-74.2	68.5	158.4	0	0	0	0	0	108.3	A16	A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 2.87Å
15	C	45.9	Very low	58.3	Low	79 Å²	79	92.2 Å²	92.2	53%	0.534	54%	0.536	S	S	.	.			trans	-53.1	103.1	157.3	-82.6	0	0	0	0	105.4	Y13 Q17 Q98	Y13-C15 PolarHBondContact O-N 3.07Å; C15-Q17 VanDerWaalsContact C-N 3.27Å; C15-Q17 PolarHBondContact O-N 3.4Å; C15-Q98 PolarHBondContact SG-NE2 3.27Å; C15-Q98 VanDerWaalsContact SG-NE2 3.37Å
16	A	57	Low	60.3	Low	75 Å²	75	85.2 Å²	85.2	62%	0.62	51%	0.508	S	S	*	.			trans	-57.9	98.1	177.4	0	0	0	0	0	106.9	A14 L18 Q102	A14-A16 VanDerWaalsContact C-N 3.26Å; A14-A16 PolarHBondContact O-N 2.87Å; A16-L18 PolarHBondContact O-N 3.29Å; A16-L18 VanDerWaalsContact O-N 3.15Å; A16-Q102 PolarHBondContact O-NE2 2.69Å
17	Q	66.1	Low	62.3	Low	128 Å²	128	80 Å²	80	60%	0.598	48%	0.476	S	S	*	.			trans	-69.6	113.4	179	-78	-174.7	-22	0	0	106.1	C15 F19	C15-Q17 VanDerWaalsContact C-N 3.27Å; C15-Q17 PolarHBondContact O-N 3.4Å; Q17-F19 PolarHBondContact O-N 3.12Å
18	L	72.2	Confident	64.4	Low	32 Å²	32	78.1 Å²	78.1	17%	0.168	46%	0.464	C	S	.	.	S	Bend	trans	-66.6	-28	-178.5	-165.6	77	0	0	0	110.6	A16 E89 A93 D99	A16-L18 PolarHBondContact O-N 3.29Å; A16-L18 VanDerWaalsContact O-N 3.15Å; L18-E89 HydrophobicContact CG-CB 4.12Å; L18-E89 WeakPolarHBondContact O-CG 3.35Å; L18-A93 HydrophobicContact CD1-CB 3.69Å; L18-A93 HydrophobicContact CD2-CB 3.39Å; L18-A93 HydrophobicContact CG-CB 4.16Å; L18-D99 HydrophobicContact CD2-CB 4.47Å
19	F	77.2	Confident	66.4	Low	9 Å²	9	75 Å²	75	4%	0.039	45%	0.452	C	S	.	.	S	Bend	trans	-121.4	150.9	-179	-51.5	-63.2	0	0	0	111.2	Q17 L55 I86 E89 A90 Q102 F106	Q17-F19 PolarHBondContact O-N 3.12Å; F19-L55 HydrophobicContact CE2-CD2 4Å; F19-L55 HydrophobicContact CZ-CD2 3.65Å; F19-I86 HydrophobicContact CD1-CB 4.24Å; F19-I86 HydrophobicContact CD1-CG1 3.73Å; F19-I86 HydrophobicContact CE1-CB 4.06Å; F19-I86 HydrophobicContact CE1-CG1 4.01Å; F19-I86 HydrophobicContact CE1-CG2 3.92Å; F19-I86 HydrophobicContact CG-CG1 4.29Å; F19-I86 HydrophobicContact CZ-CG2 4.26Å; F19-E89 HydrophobicContact CD1-CB 4.04Å; F19-E89 HydrophobicContact CE1-CB 3.81Å; F19-A90 HydrophobicContact CE1-CB 4.43Å; F19-A90 HydrophobicContact CZ-CB 4.25Å; F19-Q102 HydrophobicContact CE2-CB 4.45Å; F19-F106 HydrophobicContact CB-CE1 4.24Å; F19-F106 HydrophobicContact CB-CE2 4.15Å; F19-F106 HydrophobicContact CB-CZ 3.73Å; F19-F106 HydrophobicContact CD2-CD1 4.42Å; F19-F106 AromaticContact CD2-CD2 3.7Å; F19-F106 HydrophobicContact CD2-CD2 3.7Å; F19-F106 HydrophobicContact CD2-CE1 4.35Å; F19-F106 AromaticContact CD2-CE2 3.59Å; F19-F106 HydrophobicContact CD2-CE2 3.59Å; F19-F106 HydrophobicContact CD2-CG 4.13Å; F19-F106 AromaticContact CD2-CZ 3.93Å; F19-F106 HydrophobicContact CD2-CZ 3.93Å; F19-F106 HydrophobicContact CE2-CD2 4.08Å; F19-F106 HydrophobicContact CE2-CE2 4.42Å; F19-F106 HydrophobicContact CE2-CG 4.29Å; F19-F106 HydrophobicContact CG-CE1 4.36Å; F19-F106 HydrophobicContact CG-CE2 4.22Å; F19-F106 HydrophobicContact CG-CZ 4.09Å
20	P	76.8	Confident	68.1	Low	67 Å²	67	69 Å²	69	44%	0.435	42%	0.422	S	S	.	.			trans	-60.3	142.6	176.2	-16.7	27.9	0	0	0	111.1	G22 G23 T85	P20-G22 PolarHBondContact O-N 3.33Å; P20-G22 VanDerWaalsContact O-N 3.1Å; P20-G23 PolarHBondContact O-N 3.35Å; P20-T85 HydrophobicContact CG-CG2 3.96Å
21	P	71.2	Confident	70.2	Confident	109 Å²	109	62.9 Å²	62.9	71%	0.708	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27	-175.5	18.7	-30	0	0	0	113.8
22	G	79.5	Confident	72.2	Confident	40 Å²	40	62 Å²	62	41%	0.412	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.2	174.9	0	0	0	0	0	115.2	P20 Y24 S25 V26	P20-G22 PolarHBondContact O-N 3.33Å; P20-G22 VanDerWaalsContact O-N 3.1Å; G22-Y24 PolarHBondContact O-N 2.86Å; G22-S25 PolarHBondContact O-OG 2.91Å; G22-V26 WeakPolarHBondContact O-CG2 3.47Å; G22-V26 PolarHBondContact O-N 3.1Å
23	G	80.2	Confident	74.4	Confident	4 Å²	4	62.6 Å²	62.6	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-65.1	-40.2	-176.7	0	0	0	0	0	112.3	P20 S25 V26 L27	P20-G23 PolarHBondContact O-N 3.35Å; G23-S25 PolarHBondContact O-N 3.06Å; G23-V26 PolarHBondContact O-N 3.11Å; G23-L27 WeakPolarHBondContact O-CG 3.32Å; G23-L27 PolarHBondContact O-N 3.26Å
24	Y	84.3	Confident	76.4	Confident	80 Å²	80	58.8 Å²	58.8	31%	0.314	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-45.3	-178.7	-168	-89	0	0	0	112.1	G22 L27 Q28 F106 L109	G22-Y24 PolarHBondContact O-N 2.86Å; Y24-L27 PolarHBondContact O-N 2.65Å; Y24-Q28 VanDerWaalsContact O-CB 3.28Å; Y24-Q28 WeakPolarHBondContact O-CB 3.3Å; Y24-Q28 PolarHBondContact O-N 3.35Å; Y24-F106 HydrophobicContact CD2-CD1 4.3Å; Y24-F106 AromaticContact CD2-CD2 3.89Å; Y24-F106 HydrophobicContact CD2-CD2 3.89Å; Y24-F106 HydrophobicContact CD2-CE1 4.19Å; Y24-F106 AromaticContact CD2-CE2 3.78Å; Y24-F106 HydrophobicContact CD2-CE2 3.78Å; Y24-F106 HydrophobicContact CD2-CG 4.16Å; Y24-F106 AromaticContact CD2-CZ 3.95Å; Y24-F106 HydrophobicContact CD2-CZ 3.95Å; Y24-F106 HydrophobicContact CG-CZ 4.33Å; Y24-L109 HydrophobicContact CD1-CD1 4.43Å; Y24-L109 HydrophobicContact CD2-CD1 3.81Å; Y24-L109 HydrophobicContact CE1-CD1 4.2Å; Y24-L109 HydrophobicContact CE1-CD2 4.08Å; Y24-L109 HydrophobicContact CE2-CD1 3.54Å; Y24-L109 HydrophobicContact CE2-CD2 4.19Å; Y24-L109 HydrophobicContact CE2-CG 3.81Å; Y24-L109 HydrophobicContact CG-CD1 4.26Å; Y24-L109 WeakPolarHBondContact OH-CD2 3.38Å
25	S	85.1	Confident	78.3	Confident	68 Å²	68	55.5 Å²	55.5	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-67.8	-38.3	-179.2	59.5	0	0	0	0	112.3	G22 G23 Q28 S29	G22-S25 PolarHBondContact O-OG 2.91Å; G23-S25 PolarHBondContact O-N 3.06Å; S25-Q28 PolarHBondContact O-N 2.97Å; S25-S29 WeakPolarHBondContact O-CB 3.35Å; S25-S29 PolarHBondContact O-N 3.14Å; S25-S29 PolarHBondContact O-OG 3.39Å
26	V	85.5	Confident	79.8	Confident	32 Å²	32	57.8 Å²	57.8	19%	0.194	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-49.3	173.3	172.2	0	0	0	0	110.3	G22 G23 S29 V30 R78 Y79	G22-V26 WeakPolarHBondContact O-CG2 3.47Å; G22-V26 PolarHBondContact O-N 3.1Å; G23-V26 PolarHBondContact O-N 3.11Å; V26-S29 PolarHBondContact O-N 3.21Å; V26-S29 PolarHBondContact O-OG 3.29Å; V26-V30 PolarHBondContact O-N 2.95Å; V26-R78 HydrophobicContact CG1-CB 4.36Å; V26-Y79 HydrophobicContact CG1-CD2 4.43Å
27	L	87.9	Confident	81	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-50.5	177.4	-66.1	-164.9	0	0	0	111.5	G23 Y24 S29 V30 I31 Y79 T82 L83 I86 F106 L109 Y110	G23-L27 WeakPolarHBondContact O-CG 3.32Å; G23-L27 PolarHBondContact O-N 3.26Å; Y24-L27 PolarHBondContact O-N 2.65Å; L27-S29 VanDerWaalsContact C-N 3.25Å; L27-S29 PolarHBondContact O-N 2.99Å; L27-V30 PolarHBondContact O-N 3.25Å; L27-I31 HydrophobicContact CB-CD1 4.02Å; L27-I31 WeakPolarHBondContact O-CB 3.19Å; L27-I31 WeakPolarHBondContact O-CD1 3.48Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 2.89Å; L27-Y79 HydrophobicContact CD2-CD2 3.74Å; L27-Y79 HydrophobicContact CD2-CE2 3.4Å; L27-Y79 VanDerWaalsContact CD2-CE2 3.4Å; L27-T82 HydrophobicContact CD2-CG2 3.74Å; L27-T82 HydrophobicContact CG-CG2 3.96Å; L27-L83 HydrophobicContact CD2-CD2 3.97Å; L27-L83 HydrophobicContact CD2-CG 4.33Å; L27-I86 HydrophobicContact CD1-CD1 3.38Å; L27-I86 HydrophobicContact CD2-CD1 4.33Å; L27-I86 HydrophobicContact CG-CD1 4.04Å; L27-F106 HydrophobicContact CD1-CD1 3.79Å; L27-F106 HydrophobicContact CD1-CE1 4.27Å; L27-L109 HydrophobicContact CB-CD1 4.04Å; L27-Y110 HydrophobicContact CD1-CE2 3.75Å; L27-Y110 WeakPolarHBondContact CD1-OH 3.37Å; L27-Y110 WeakPolarHBondContact CD2-OH 3.41Å
28	Q	87.9	Confident	81.8	Confident	97 Å²	97	51.9 Å²	51.9	45%	0.453	33%	0.331	S	S	.	.	H	α-helix	trans	-55.7	-41.2	-179.3	-173.5	178.3	5.7	0	0	111.5	Y24 S25 I31 A32 L109	Y24-Q28 VanDerWaalsContact O-CB 3.28Å; Y24-Q28 WeakPolarHBondContact O-CB 3.3Å; Y24-Q28 PolarHBondContact O-N 3.35Å; S25-Q28 PolarHBondContact O-N 2.97Å; Q28-I31 PolarHBondContact O-N 3.44Å; Q28-A32 WeakPolarHBondContact O-CB 3.4Å; Q28-A32 PolarHBondContact O-N 2.98Å; Q28-L109 HydrophobicContact CB-CD1 4.49Å; Q28-L109 HydrophobicContact CB-CD2 4.34Å; Q28-L109 HydrophobicContact CG-CD2 4.31Å
29	S	86.1	Confident	82.4	Confident	58 Å²	58	56.6 Å²	56.6	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-45	178.6	73.6	0	0	0	0	113	S25 V26 L27 A33	S25-S29 WeakPolarHBondContact O-CB 3.35Å; S25-S29 PolarHBondContact O-N 3.14Å; S25-S29 PolarHBondContact O-OG 3.39Å; V26-S29 PolarHBondContact O-N 3.21Å; V26-S29 PolarHBondContact O-OG 3.29Å; L27-S29 VanDerWaalsContact C-N 3.25Å; L27-S29 PolarHBondContact O-N 2.99Å; S29-A33 WeakPolarHBondContact O-CB 3.45Å; S29-A33 PolarHBondContact O-N 3.28Å
30	V	84.7	Confident	82.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-42	179.9	175.1	0	0	0	0	110.6	V26 L27 A33 R34 P35 W65 L71 Q75 Y79	V26-V30 PolarHBondContact O-N 2.95Å; L27-V30 PolarHBondContact O-N 3.25Å; V30-A33 PolarHBondContact O-N 3.27Å; V30-R34 PolarHBondContact O-N 2.95Å; V30-P35 HydrophobicContact CG1-CG 4.4Å; V30-P35 WeakPolarHBondContact O-CD 3.48Å; V30-W65 HydrophobicContact CG1-CH2 4.3Å; V30-W65 HydrophobicContact CG1-CZ3 4.33Å; V30-L71 HydrophobicContact CG1-CD1 4.2Å; V30-L71 HydrophobicContact CG1-CD2 4.39Å; V30-Q75 HydrophobicContact CG2-CG 3.96Å; V30-Y79 HydrophobicContact CB-CD2 3.75Å; V30-Y79 HydrophobicContact CB-CE2 3.75Å; V30-Y79 HydrophobicContact CB-CG 4.38Å; V30-Y79 HydrophobicContact CG1-CD1 4.35Å; V30-Y79 HydrophobicContact CG1-CD2 3.99Å; V30-Y79 HydrophobicContact CG1-CE1 4.19Å; V30-Y79 HydrophobicContact CG1-CE2 3.81Å; V30-Y79 HydrophobicContact CG1-CG 4.26Å; V30-Y79 HydrophobicContact CG2-CD2 3.55Å; V30-Y79 HydrophobicContact CG2-CE2 4.11Å; V30-Y79 HydrophobicContact CG2-CG 3.93Å
31	I	86.9	Confident	83.4	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-42.1	-178.9	-66	169	0	0	0	110.6	L27 Q28 A33 R34 F38 L109 Y110	L27-I31 HydrophobicContact CB-CD1 4.02Å; L27-I31 WeakPolarHBondContact O-CB 3.19Å; L27-I31 WeakPolarHBondContact O-CD1 3.48Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 2.89Å; Q28-I31 PolarHBondContact O-N 3.44Å; I31-A33 VanDerWaalsContact C-N 3.35Å; I31-R34 VanDerWaalsContact CG2-NH1 3.32Å; I31-R34 VanDerWaalsContact O-CD 3.26Å; I31-R34 WeakPolarHBondContact O-CD 3.48Å; I31-R34 WeakPolarHBondContact O-CG 3Å; I31-R34 PolarHBondContact O-N 3.05Å; I31-R34 PolarHBondContact O-NE 3.14Å; I31-R34 PolarHBondContact O-NH1 3.02Å; I31-F38 HydrophobicContact CB-CZ 4.3Å; I31-F38 HydrophobicContact CG1-CE2 4.11Å; I31-F38 HydrophobicContact CG1-CZ 3.71Å; I31-F38 HydrophobicContact CG2-CE1 4.37Å; I31-F38 HydrophobicContact CG2-CZ 4.28Å; I31-L109 HydrophobicContact CD1-CB 3.58Å; I31-L109 HydrophobicContact CD1-CD1 4.27Å; I31-L109 VanDerWaalsContact CG2-O 3.23Å; I31-L109 WeakPolarHBondContact CG2-O 3.47Å; I31-Y110 HydrophobicContact CD1-CD1 3.86Å; I31-Y110 HydrophobicContact CD1-CD2 4.24Å; I31-Y110 HydrophobicContact CD1-CE1 3.49Å; I31-Y110 VanDerWaalsContact CD1-CE1 3.49Å; I31-Y110 HydrophobicContact CD1-CE2 3.94Å; I31-Y110 HydrophobicContact CD1-CG 4.21Å; I31-Y110 HydrophobicContact CG1-CD1 4.3Å; I31-Y110 HydrophobicContact CG1-CE1 3.84Å
32	A	83.9	Confident	84	Confident	74 Å²	74	55 Å²	55	61%	0.612	33%	0.332	S	S	*	.	H	α-helix	trans	-66.1	-36.5	178.2	0	0	0	0	0	112.1	Q28 R34	Q28-A32 WeakPolarHBondContact O-CB 3.4Å; Q28-A32 PolarHBondContact O-N 2.98Å; A32-R34 PolarHBondContact O-N 3.22Å
33	A	83.8	Confident	83.9	Confident	70 Å²	70	60.7 Å²	60.7	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-67.1	-16	177	0	0	0	0	0	113.8	S29 V30 I31	S29-A33 WeakPolarHBondContact O-CB 3.45Å; S29-A33 PolarHBondContact O-N 3.28Å; V30-A33 PolarHBondContact O-N 3.27Å; I31-A33 VanDerWaalsContact C-N 3.35Å
34	R	80.9	Confident	83.9	Confident	116 Å²	116	65.2 Å²	65.2	44%	0.438	37%	0.373	S	S	.	.			trans	42.5	55	180	-63.9	-67.9	-175.7	-140.7	-7.6	113.3	V30 I31 A32 L40	V30-R34 PolarHBondContact O-N 2.95Å; I31-R34 VanDerWaalsContact CG2-NH1 3.32Å; I31-R34 VanDerWaalsContact O-CD 3.26Å; I31-R34 WeakPolarHBondContact O-CD 3.48Å; I31-R34 WeakPolarHBondContact O-CG 3Å; I31-R34 PolarHBondContact O-N 3.05Å; I31-R34 PolarHBondContact O-NE 3.14Å; I31-R34 PolarHBondContact O-NH1 3.02Å; A32-R34 PolarHBondContact O-N 3.22Å; R34-L40 VanDerWaalsContact NH1-CG 3.34Å
35	P	80.7	Confident	83.6	Confident	22 Å²	22	63 Å²	63	14%	0.143	36%	0.364	C	S	.	.			trans	-60.2	155.3	-177.7	25.3	-33.8	0	0	0	111.6	V30 G37 F38 W65 L71	V30-P35 HydrophobicContact CG1-CG 4.4Å; V30-P35 WeakPolarHBondContact O-CD 3.48Å; P35-G37 PolarHBondContact O-N 3.1Å; P35-F38 HydrophobicContact CG-CB 4.09Å; P35-F38 WeakPolarHBondContact O-CB 3.5Å; P35-F38 PolarHBondContact O-N 2.92Å; P35-W65 HydrophobicContact CB-CH2 4.44Å; P35-W65 HydrophobicContact CB-CZ2 4.31Å; P35-W65 HydrophobicContact CG-CH2 3.51Å; P35-W65 HydrophobicContact CG-CZ2 3.72Å; P35-L71 HydrophobicContact CB-CD2 4.13Å; P35-L71 HydrophobicContact CG-CD2 4.03Å
36	P	78.9	Confident	83.1	Confident	127 Å²	127	62 Å²	62	83%	0.825	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	134.4	-178.5	-28.4	35	0	0	0	113	F38	P36-F38 PolarHBondContact O-N 3.45Å
37	G	80.9	Confident	82.6	Confident	56 Å²	56	63.6 Å²	63.6	58%	0.577	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-4.8	-177.7	0	0	0	0	0	115.1	P35 W65	P35-G37 PolarHBondContact O-N 3.1Å; G37-W65 VanDerWaalsContact C-NE1 3.33Å; G37-W65 PolarHBondContact O-NE1 3.08Å
38	F	84.5	Confident	82.2	Confident	23 Å²	23	67.9 Å²	67.9	10%	0.101	42%	0.417	C	S	.	.			trans	-69.4	132.5	171.7	-172.1	-81.5	0	0	0	110.3	I31 P35 P36 L40 Q62 W65 Y110	I31-F38 HydrophobicContact CB-CZ 4.3Å; I31-F38 HydrophobicContact CG1-CE2 4.11Å; I31-F38 HydrophobicContact CG1-CZ 3.71Å; I31-F38 HydrophobicContact CG2-CE1 4.37Å; I31-F38 HydrophobicContact CG2-CZ 4.28Å; P35-F38 HydrophobicContact CG-CB 4.09Å; P35-F38 WeakPolarHBondContact O-CB 3.5Å; P35-F38 PolarHBondContact O-N 2.92Å; P36-F38 PolarHBondContact O-N 3.45Å; F38-L40 HydrophobicContact CE1-CD2 4.32Å; F38-Q62 VanDerWaalsContact CE2-OE1 3.22Å; F38-W65 HydrophobicContact CB-CH2 4.36Å; F38-W65 HydrophobicContact CB-CZ2 3.93Å; F38-W65 HydrophobicContact CD2-CE3 4.19Å; F38-W65 AromaticContact CD2-CH2 3.76Å; F38-W65 HydrophobicContact CD2-CH2 3.76Å; F38-W65 HydrophobicContact CD2-CZ2 4.1Å; F38-W65 AromaticContact CD2-CZ3 3.8Å; F38-W65 HydrophobicContact CD2-CZ3 3.8Å; F38-W65 HydrophobicContact CE2-CZ3 4.37Å; F38-Y110 HydrophobicContact CE2-CE1 4.19Å; F38-Y110 AromaticContact CZ-CD1 3.85Å; F38-Y110 HydrophobicContact CZ-CD1 3.85Å; F38-Y110 AromaticContact CZ-CE1 3.85Å; F38-Y110 HydrophobicContact CZ-CE1 3.85Å
39	Q	83.7	Confident	82.1	Confident	130 Å²	130	66.8 Å²	66.8	61%	0.607	41%	0.411	S	S	*	.			trans	-124.1	141.5	178.2	-64.5	-177.6	-1	0	0	111.3
40	L	86.8	Confident	82.2	Confident	44 Å²	44	66.2 Å²	66.2	23%	0.23	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-84.2	153	166.2	-73.1	173	0	0	0	110	R34 F38 Y110 R112	R34-L40 VanDerWaalsContact NH1-CG 3.34Å; F38-L40 HydrophobicContact CE1-CD2 4.32Å; L40-Y110 VanDerWaalsContact CD2-O 3.24Å; L40-Y110 WeakPolarHBondContact CD2-O 3.19Å; L40-R112 HydrophobicContact CB-CG 3.57Å; L40-R112 HydrophobicContact CD1-CG 4.02Å; L40-R112 HydrophobicContact CG-CG 4.47Å
41	Y	87.6	Confident	82.5	Confident	27 Å²	27	66.9 Å²	66.9	11%	0.106	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-98.5	144.5	177.4	-56.9	-88.9	0	0	0	110.3	F45 V58 R61 Q62 Y110 M111 R112	Y41-F45 AromaticContact CD1-CD2 3.51Å; Y41-F45 HydrophobicContact CD1-CD2 3.51Å; Y41-F45 AromaticContact CD1-CE2 3.56Å; Y41-F45 HydrophobicContact CD1-CE2 3.56Å; Y41-F45 HydrophobicContact CD1-CG 4.17Å; Y41-F45 HydrophobicContact CD1-CZ 4.31Å; Y41-F45 HydrophobicContact CE1-CD2 4.24Å; Y41-F45 AromaticContact CE1-CE2 3.82Å; Y41-F45 HydrophobicContact CE1-CE2 3.82Å; Y41-F45 HydrophobicContact CE1-CZ 4.4Å; Y41-F45 HydrophobicContact CG-CD2 4.21Å; Y41-F45 HydrophobicContact CG-CE2 4.46Å; Y41-F45 HydrophobicContact CG-CG 4.44Å; Y41-V58 HydrophobicContact CD2-CG1 4.16Å; Y41-V58 HydrophobicContact CD2-CG2 3.9Å; Y41-V58 HydrophobicContact CE2-CB 4.31Å; Y41-V58 HydrophobicContact CE2-CG1 3.66Å; Y41-V58 HydrophobicContact CE2-CG2 3.96Å; Y41-V58 HydrophobicContact CG-CG2 4.17Å; Y41-R61 WeakPolarHBondContact OH-CB 3.44Å; Y41-Q62 HydrophobicContact CE2-CG 4.46Å; Y41-Q62 PolarHBondContact OH-NE2 3.47Å; Y41-Y110 HydrophobicContact CE2-CD1 4.32Å; Y41-Y110 PolarHBondContact N-O 3.02Å; Y41-M111 CarbonylContact O-C 3.57Å; Y41-M111 WeakPolarHBondContact O-CA 3.38Å; Y41-R112 PolarHBondContact O-N 3.25Å
42	D	84.4	Confident	82.7	Confident	81 Å²	81	66.6 Å²	66.6	43%	0.433	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-76.3	153.2	169.3	-71.7	-55.2	0	0	0	110.3	S44 F45 R112	D42-S44 PolarHBondContact O-N 3.08Å; D42-S44 VanDerWaalsContact O-N 3.1Å; D42-F45 WeakPolarHBondContact O-CB 3.37Å; D42-F45 PolarHBondContact O-N 3.29Å; D42-R112 WeakPolarHBondContact OD1-CD 3.44Å
43	R	78.2	Confident	83.1	Confident	159 Å²	159	67.6 Å²	67.6	60%	0.6	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-59.6	-23.7	176.2	-72.8	-173.1	177.6	-178.8	-1.9	113.1	F45 Y46	R43-F45 PolarHBondContact O-N 2.91Å; R43-F45 VanDerWaalsContact O-N 3.11Å; R43-Y46 WeakPolarHBondContact O-CD2 3.12Å; R43-Y46 PolarHBondContact O-N 3.37Å
44	S	79.5	Confident	83.4	Confident	100 Å²	100	64.3 Å²	64.3	70%	0.699	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-60.6	-17.1	171.7	57.4	0	0	0	0	113.2	D42 Y46 G47	D42-S44 PolarHBondContact O-N 3.08Å; D42-S44 VanDerWaalsContact O-N 3.1Å; S44-Y46 PolarHBondContact O-N 2.98Å; S44-G47 PolarHBondContact O-N 3.3Å; S44-G47 VanDerWaalsContact O-N 3.12Å
45	F	77.8	Confident	84	Confident	33 Å²	33	58.8 Å²	58.8	15%	0.145	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.5	175.2	-173.6	-87.7	0	0	0	113.2	Y41 D42 R43 G47 D57 V58 R61 M111	Y41-F45 AromaticContact CD1-CD2 3.51Å; Y41-F45 HydrophobicContact CD1-CD2 3.51Å; Y41-F45 AromaticContact CD1-CE2 3.56Å; Y41-F45 HydrophobicContact CD1-CE2 3.56Å; Y41-F45 HydrophobicContact CD1-CG 4.17Å; Y41-F45 HydrophobicContact CD1-CZ 4.31Å; Y41-F45 HydrophobicContact CE1-CD2 4.24Å; Y41-F45 AromaticContact CE1-CE2 3.82Å; Y41-F45 HydrophobicContact CE1-CE2 3.82Å; Y41-F45 HydrophobicContact CE1-CZ 4.4Å; Y41-F45 HydrophobicContact CG-CD2 4.21Å; Y41-F45 HydrophobicContact CG-CE2 4.46Å; Y41-F45 HydrophobicContact CG-CG 4.44Å; D42-F45 WeakPolarHBondContact O-CB 3.37Å; D42-F45 PolarHBondContact O-N 3.29Å; R43-F45 PolarHBondContact O-N 2.91Å; R43-F45 VanDerWaalsContact O-N 3.11Å; F45-G47 PolarHBondContact O-N 3.34Å; F45-D57 HydrophobicContact CE1-CB 3.97Å; F45-D57 HydrophobicContact CZ-CB 3.88Å; F45-V58 HydrophobicContact CD1-CG2 3.97Å; F45-V58 HydrophobicContact CE1-CG2 3.47Å; F45-V58 VanDerWaalsContact CE1-CG2 3.47Å; F45-V58 HydrophobicContact CZ-CG2 3.83Å; F45-R61 VanDerWaalsContact CE2-CZ 3.43Å; F45-M111 HydrophobicContact CD1-CE 4.48Å
46	Y	75.3	Confident	84.5	Confident	47 Å²	47	57.9 Å²	57.9	18%	0.184	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58.8	-39.1	176	-78.7	-102.1	0	0	0	111.1	R43 S44 G48 K49 A51 A54 L107 M111	R43-Y46 WeakPolarHBondContact O-CD2 3.12Å; R43-Y46 PolarHBondContact O-N 3.37Å; S44-Y46 PolarHBondContact O-N 2.98Å; Y46-G48 PolarHBondContact O-N 3.31Å; Y46-K49 WeakPolarHBondContact O-CB 3.43Å; Y46-K49 WeakPolarHBondContact O-CG 3.44Å; Y46-K49 PolarHBondContact O-N 3.12Å; Y46-A51 HydrophobicContact CE1-CB 4.29Å; Y46-A54 HydrophobicContact CD1-CB 3.93Å; Y46-A54 HydrophobicContact CE1-CB 4.27Å; Y46-A54 HydrophobicContact CG-CB 4.32Å; Y46-L107 HydrophobicContact CD1-CD2 4.18Å; Y46-L107 HydrophobicContact CE1-CD2 3.33Å; Y46-L107 HydrophobicContact CE1-CG 4.41Å; Y46-L107 HydrophobicContact CE2-CD2 3.87Å; Y46-L107 HydrophobicContact CE2-CG 4.24Å; Y46-L107 WeakPolarHBondContact OH-CD2 3.36Å; Y46-L107 WeakPolarHBondContact OH-CG 3.15Å; Y46-M111 HydrophobicContact CD2-CE 4.3Å; Y46-M111 HydrophobicContact CD2-SD 4.39Å; Y46-M111 HydrophobicContact CE2-CE 3.8Å; Y46-M111 HydrophobicContact CE2-CG 4.24Å; Y46-M111 HydrophobicContact CE2-SD 3.86Å
47	G	73.8	Confident	85.2	Confident	65 Å²	65	54.4 Å²	54.4	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	-132.4	-167.3	0	0	0	0	0	110.6	S44 F45	S44-G47 PolarHBondContact O-N 3.3Å; S44-G47 VanDerWaalsContact O-N 3.12Å; F45-G47 PolarHBondContact O-N 3.34Å
48	G	79.8	Confident	85.7	Confident	90 Å²	90	51.8 Å²	51.8	93%	0.928	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	10.4	172.1	0	0	0	0	0	115.1	Y46	Y46-G48 PolarHBondContact O-N 3.31Å
49	K	86.1	Confident	86.1	Confident	75 Å²	75	50.7 Å²	50.7	33%	0.326	29%	0.288	S	S	.	.			trans	-82.4	153	-177.3	-59.5	172.5	-176.2	166.7	0	111.5	Y46 E53 D57	Y46-K49 WeakPolarHBondContact O-CB 3.43Å; Y46-K49 WeakPolarHBondContact O-CG 3.44Å; Y46-K49 PolarHBondContact O-N 3.12Å; K49-E53 WeakPolarHBondContact CA-OE2 3.32Å; K49-E53 HydrophobicContact CB-CB 3.93Å; K49-E53 WeakPolarHBondContact CB-OE2 3.43Å; K49-E53 HydrophobicContact CG-CB 4.49Å; K49-D57 IonicContact NZ-OD2 3.89Å; K49-D57 PolarHBondContact NZ-OD2 2.82Å
50	N	89.1	Confident	86.6	Confident	46 Å²	46	46.8 Å²	46.8	25%	0.246	27%	0.272	C	S	.	.			trans	-76.1	167.4	170.6	73.9	57.5	0	0	0	111.6	C52 E53 A54 L100	N50-C52 VanDerWaalsContact C-N 3.29Å; N50-C52 PolarHBondContact O-N 3.42Å; N50-C52 WeakPolarHBondContact OD1-CA 3.2Å; N50-C52 WeakPolarHBondContact OD1-CB 3.15Å; N50-C52 PolarHBondContact OD1-N 3.18Å; N50-E53 PolarHBondContact N-OE2 2.99Å; N50-E53 WeakPolarHBondContact ND2-CG 3.41Å; N50-E53 PolarHBondContact ND2-OE1 3.33Å; N50-E53 PolarHBondContact ND2-OE2 3.49Å; N50-E53 PolarHBondContact O-N 3.44Å; N50-E53 PolarHBondContact OD1-N 3.43Å; N50-A54 WeakPolarHBondContact O-CB 3.09Å; N50-A54 PolarHBondContact O-N 2.9Å; N50-L100 HydrophobicContact CB-CD2 3.79Å
51	A	89.8	Confident	86.8	Confident	14 Å²	14	48.6 Å²	48.6	12%	0.116	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-33.7	-175.9	0	0	0	0	0	113.9	Y46 L55 C103 L107	Y46-A51 HydrophobicContact CE1-CB 4.29Å; A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.24Å; A51-L55 PolarHBondContact O-N 3.21Å; A51-C103 HydrophobicContact CB-CB 4.14Å; A51-L107 WeakPolarHBondContact O-CD2 3.33Å
52	C	91.4	Very high	87	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-75	-40.4	178.8	-65.2	0	0	0	0	112	N50 L55 S56 A90 C103	N50-C52 VanDerWaalsContact C-N 3.29Å; N50-C52 PolarHBondContact O-N 3.42Å; N50-C52 WeakPolarHBondContact OD1-CA 3.2Å; N50-C52 WeakPolarHBondContact OD1-CB 3.15Å; N50-C52 PolarHBondContact OD1-N 3.18Å; C52-L55 PolarHBondContact O-N 2.86Å; C52-S56 PolarHBondContact O-N 2.91Å; C52-A90 HydrophobicContact CB-CB 4.36Å; C52-A90 WeakPolarHBondContact CB-O 3.3Å; C52-A90 WeakPolarHBondContact O-CB 3.31Å; C52-C103 WeakPolarHBondContact CA-SG 3.42Å; C52-C103 HydrophobicContact CB-CB 3.86Å; C52-C103 WeakPolarHBondContact CB-SG 3.46Å; C52-C103 WeakPolarHBondContact SG-CB 3.45Å; C52-C103 CovalentContact SG-SG 2.04Å; C52-C103 PolarHBondContact SG-SG 3.06Å
53	E	91.3	Very high	87.5	Confident	95 Å²	95	43.8 Å²	43.8	44%	0.444	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-49.8	172.7	-73.6	170.8	166.2	0	0	111.3	K49 N50 L55 S56 D57	K49-E53 WeakPolarHBondContact CA-OE2 3.32Å; K49-E53 HydrophobicContact CB-CB 3.93Å; K49-E53 WeakPolarHBondContact CB-OE2 3.43Å; K49-E53 HydrophobicContact CG-CB 4.49Å; N50-E53 PolarHBondContact N-OE2 2.99Å; N50-E53 WeakPolarHBondContact ND2-CG 3.41Å; N50-E53 PolarHBondContact ND2-OE1 3.33Å; N50-E53 PolarHBondContact ND2-OE2 3.49Å; N50-E53 PolarHBondContact O-N 3.44Å; N50-E53 PolarHBondContact OD1-N 3.43Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 2.98Å; E53-S56 WeakPolarHBondContact O-CB 3.46Å; E53-S56 PolarHBondContact O-N 2.86Å; E53-S56 VanDerWaalsContact O-N 3.14Å; E53-D57 PolarHBondContact O-N 3.44Å; E53-D57 VanDerWaalsContact O-N 3.08Å
54	A	91.8	Very high	88.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-40.5	177.4	0	0	0	0	0	111.8	Y46 N50 S56 D57 V58 L107	Y46-A54 HydrophobicContact CD1-CB 3.93Å; Y46-A54 HydrophobicContact CE1-CB 4.27Å; Y46-A54 HydrophobicContact CG-CB 4.32Å; N50-A54 WeakPolarHBondContact O-CB 3.09Å; N50-A54 PolarHBondContact O-N 2.9Å; A54-S56 VanDerWaalsContact C-N 3.35Å; A54-S56 PolarHBondContact O-N 2.04Å; A54-D57 PolarHBondContact O-N 3.22Å; A54-V58 WeakPolarHBondContact O-CG2 3.07Å; A54-V58 PolarHBondContact O-N 3.49Å; A54-L107 HydrophobicContact CB-CD2 3.55Å
55	L	92.3	Very high	88.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-38.4	175.3	-179.3	62.5	0	0	0	112.6	F19 A51 C52 E53 D57 V58 A59 I86 A90 C103 F106 L107	F19-L55 HydrophobicContact CE2-CD2 4Å; F19-L55 HydrophobicContact CZ-CD2 3.65Å; A51-L55 VanDerWaalsContact O-CB 3.24Å; A51-L55 WeakPolarHBondContact O-CB 3.24Å; A51-L55 PolarHBondContact O-N 3.21Å; C52-L55 PolarHBondContact O-N 2.86Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 2.98Å; L55-D57 VanDerWaalsContact C-N 3.34Å; L55-V58 PolarHBondContact O-N 3.17Å; L55-A59 WeakPolarHBondContact O-CB 3.4Å; L55-A59 PolarHBondContact O-N 3.18Å; L55-I86 HydrophobicContact CD1-CG2 4.04Å; L55-I86 HydrophobicContact CD2-CG2 3.7Å; L55-I86 HydrophobicContact CG-CG2 3.65Å; L55-A90 HydrophobicContact CD2-CB 4.38Å; L55-A90 HydrophobicContact CG-CB 4.49Å; L55-C103 HydrophobicContact CD2-CB 4.02Å; L55-F106 HydrophobicContact CD1-CB 3.97Å; L55-F106 HydrophobicContact CD2-CB 3.69Å; L55-L107 HydrophobicContact CB-CB 4.36Å; L55-L107 HydrophobicContact CB-CD1 4.38Å; L55-L107 HydrophobicContact CB-CD2 4.47Å; L55-L107 HydrophobicContact CD1-CB 4.2Å; L55-L107 HydrophobicContact CD1-CD1 4.28Å
56	S	92.5	Very high	89.5	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-43	176.5	-165.7	0	0	0	0	111.9	C52 E53 A54 A59 D60 K87 K91	C52-S56 PolarHBondContact O-N 2.91Å; E53-S56 WeakPolarHBondContact O-CB 3.46Å; E53-S56 PolarHBondContact O-N 2.86Å; E53-S56 VanDerWaalsContact O-N 3.14Å; A54-S56 VanDerWaalsContact C-N 3.35Å; A54-S56 PolarHBondContact O-N 2.04Å; S56-A59 PolarHBondContact O-N 3.35Å; S56-D60 PolarHBondContact O-N 3.41Å; S56-K87 PolarHBondContact OG-O 2.86Å; S56-K91 WeakPolarHBondContact OG-CE 3.38Å; S56-K91 WeakPolarHBondContact OG-CG 3.41Å
57	D	92.3	Very high	90.2	Very high	55 Å²	55	41.5 Å²	41.5	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-66.3	-43.1	177.8	-75	-5.4	0	0	0	111.8	F45 K49 E53 A54 L55 A59 D60 R61	F45-D57 HydrophobicContact CE1-CB 3.97Å; F45-D57 HydrophobicContact CZ-CB 3.88Å; K49-D57 IonicContact NZ-OD2 3.89Å; K49-D57 PolarHBondContact NZ-OD2 2.82Å; E53-D57 PolarHBondContact O-N 3.44Å; E53-D57 VanDerWaalsContact O-N 3.08Å; A54-D57 PolarHBondContact O-N 3.22Å; L55-D57 VanDerWaalsContact C-N 3.34Å; D57-A59 VanDerWaalsContact C-N 3.31Å; D57-A59 PolarHBondContact O-N 2.84Å; D57-D60 PolarHBondContact O-N 3.34Å; D57-R61 WeakPolarHBondContact O-CG 3.5Å; D57-R61 PolarHBondContact O-N 3.4Å
58	V	91.7	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-45.7	172.9	165.4	0	0	0	0	110.4	Y41 F45 A54 L55 D60 R61 Q62 L107 Y110 M111	Y41-V58 HydrophobicContact CD2-CG1 4.16Å; Y41-V58 HydrophobicContact CD2-CG2 3.9Å; Y41-V58 HydrophobicContact CE2-CB 4.31Å; Y41-V58 HydrophobicContact CE2-CG1 3.66Å; Y41-V58 HydrophobicContact CE2-CG2 3.96Å; Y41-V58 HydrophobicContact CG-CG2 4.17Å; F45-V58 HydrophobicContact CD1-CG2 3.97Å; F45-V58 HydrophobicContact CE1-CG2 3.47Å; F45-V58 VanDerWaalsContact CE1-CG2 3.47Å; F45-V58 HydrophobicContact CZ-CG2 3.83Å; A54-V58 WeakPolarHBondContact O-CG2 3.07Å; A54-V58 PolarHBondContact O-N 3.49Å; L55-V58 PolarHBondContact O-N 3.17Å; V58-D60 VanDerWaalsContact C-N 3.27Å; V58-D60 PolarHBondContact O-N 3.17Å; V58-R61 PolarHBondContact O-N 3.49Å; V58-Q62 HydrophobicContact CG1-CG 4.15Å; V58-Q62 WeakPolarHBondContact O-CB 3.45Å; V58-Q62 VanDerWaalsContact O-CG 3.25Å; V58-Q62 WeakPolarHBondContact O-CG 3.18Å; V58-Q62 PolarHBondContact O-N 3.44Å; V58-L107 HydrophobicContact CB-CD1 4.21Å; V58-L107 HydrophobicContact CG2-CD1 3.69Å; V58-Y110 HydrophobicContact CG1-CD1 3.82Å; V58-Y110 HydrophobicContact CG1-CD2 3.61Å; V58-Y110 HydrophobicContact CG1-CE1 4.25Å; V58-Y110 HydrophobicContact CG1-CE2 4.02Å; V58-Y110 HydrophobicContact CG1-CG 3.48Å; V58-Y110 VanDerWaalsContact CG1-CG 3.48Å; V58-M111 HydrophobicContact CG2-CE 4.43Å
59	A	93	Very high	91.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-37	179.5	0	0	0	0	0	111.9	L55 S56 D57 L63 L83 I86 K87	L55-A59 WeakPolarHBondContact O-CB 3.4Å; L55-A59 PolarHBondContact O-N 3.18Å; S56-A59 PolarHBondContact O-N 3.35Å; D57-A59 VanDerWaalsContact C-N 3.31Å; D57-A59 PolarHBondContact O-N 2.84Å; A59-L63 WeakPolarHBondContact O-CB 3.03Å; A59-L63 VanDerWaalsContact O-CG 3.3Å; A59-L63 WeakPolarHBondContact O-CG 3.41Å; A59-L63 PolarHBondContact O-N 3Å; A59-L83 HydrophobicContact CB-CD2 4.24Å; A59-I86 HydrophobicContact CB-CG2 4.25Å; A59-K87 HydrophobicContact CB-CB 3.95Å
60	D	93.3	Very high	91.8	Very high	47 Å²	47	44.8 Å²	44.8	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-68.4	-44.2	176.9	-154.1	21	0	0	0	112.7	S56 D57 V58 Q62 L63 Q64 K87	S56-D60 PolarHBondContact O-N 3.41Å; D57-D60 PolarHBondContact O-N 3.34Å; V58-D60 VanDerWaalsContact C-N 3.27Å; V58-D60 PolarHBondContact O-N 3.17Å; D60-Q62 VanDerWaalsContact C-N 3.34Å; D60-Q62 PolarHBondContact O-N 2.94Å; D60-L63 WeakPolarHBondContact O-CB 3.24Å; D60-L63 PolarHBondContact O-N 2.67Å; D60-Q64 WeakPolarHBondContact O-CG 3.31Å; D60-Q64 PolarHBondContact O-N 3.19Å; D60-K87 HydrophobicContact CB-CD 4.25Å; D60-K87 IonicContact OD1-NZ 2.65Å; D60-K87 PolarHBondContact OD1-NZ 3.24Å; D60-K87 IonicContact OD2-NZ 2.69Å; D60-K87 PolarHBondContact OD2-NZ 3.34Å
61	R	91.4	Very high	91.8	Very high	82 Å²	82	43.4 Å²	43.4	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-62	-43.1	174.9	-70.2	-179	-176.2	-142.7	3.9	111.5	Y41 F45 D57 V58 L63 Q64 W65 Y130	Y41-R61 WeakPolarHBondContact OH-CB 3.44Å; F45-R61 VanDerWaalsContact CE2-CZ 3.43Å; D57-R61 WeakPolarHBondContact O-CG 3.5Å; D57-R61 PolarHBondContact O-N 3.4Å; V58-R61 PolarHBondContact O-N 3.49Å; R61-L63 VanDerWaalsContact C-N 3.3Å; R61-L63 PolarHBondContact O-N 2.96Å; R61-Q64 WeakPolarHBondContact O-CB 3.42Å; R61-Q64 PolarHBondContact O-N 3.05Å; R61-W65 PolarHBondContact O-N 3.43Å; R61-Y130 PolarHBondContact NH1-OH 3.31Å
62	Q	92.5	Very high	91.9	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-31.7	176.3	-71	-66.8	-22.1	0	0	112.3	F38 Y41 V58 D60 W65 A66 Y79 L83 Y110	F38-Q62 VanDerWaalsContact CE2-OE1 3.22Å; Y41-Q62 HydrophobicContact CE2-CG 4.46Å; Y41-Q62 PolarHBondContact OH-NE2 3.47Å; V58-Q62 HydrophobicContact CG1-CG 4.15Å; V58-Q62 WeakPolarHBondContact O-CB 3.45Å; V58-Q62 VanDerWaalsContact O-CG 3.25Å; V58-Q62 WeakPolarHBondContact O-CG 3.18Å; V58-Q62 PolarHBondContact O-N 3.44Å; D60-Q62 VanDerWaalsContact C-N 3.34Å; D60-Q62 PolarHBondContact O-N 2.94Å; Q62-W65 VanDerWaalsContact OE1-CE3 3.23Å; Q62-A66 WeakPolarHBondContact O-CB 3.45Å; Q62-A66 PolarHBondContact O-N 3.2Å; Q62-Y79 PolarHBondContact OE1-OH 3.2Å; Q62-L83 HydrophobicContact CB-CD1 3.68Å; Q62-L83 HydrophobicContact CB-CD2 3.91Å; Q62-L83 HydrophobicContact CB-CG 4.48Å; Q62-Y110 HydrophobicContact CG-CD1 4.14Å; Q62-Y110 HydrophobicContact CG-CE1 3.61Å
63	L	94	Very high	91.9	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-41.6	171.4	-81.5	166.2	0	0	0	112	A59 D60 R61 R67 M80 L83 R84 K87	A59-L63 WeakPolarHBondContact O-CB 3.03Å; A59-L63 VanDerWaalsContact O-CG 3.3Å; A59-L63 WeakPolarHBondContact O-CG 3.41Å; A59-L63 PolarHBondContact O-N 3Å; D60-L63 WeakPolarHBondContact O-CB 3.24Å; D60-L63 PolarHBondContact O-N 2.67Å; R61-L63 VanDerWaalsContact C-N 3.3Å; R61-L63 PolarHBondContact O-N 2.96Å; L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.41Å; L63-R67 PolarHBondContact O-N 3.48Å; L63-R67 VanDerWaalsContact O-N 3.13Å; L63-M80 HydrophobicContact CD2-CB 4.13Å; L63-M80 HydrophobicContact CD2-CE 4.33Å; L63-M80 HydrophobicContact CD2-CG 4.3Å; L63-L83 HydrophobicContact CD1-CB 4.29Å; L63-L83 HydrophobicContact CD2-CB 3.75Å; L63-L83 HydrophobicContact CD2-CD1 4.12Å; L63-L83 HydrophobicContact CG-CB 3.72Å; L63-L83 HydrophobicContact CG-CD1 4.04Å; L63-R84 HydrophobicContact CD1-CG 4.18Å; L63-R84 HydrophobicContact CD2-CG 4Å; L63-K87 HydrophobicContact CD1-CD 4.17Å
64	Q	92.5	Very high	91.9	Very high	113 Å²	113	51.6 Å²	51.6	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-46	176.3	-67.6	174.5	1.2	0	0	111.4	D60 R61 R67	D60-Q64 WeakPolarHBondContact O-CG 3.31Å; D60-Q64 PolarHBondContact O-N 3.19Å; R61-Q64 WeakPolarHBondContact O-CB 3.42Å; R61-Q64 PolarHBondContact O-N 3.05Å; Q64-R67 PolarHBondContact O-N 2.86Å
65	W	92.5	Very high	91.8	Very high	39 Å²	39	54 Å²	54	15%	0.148	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-49	174.3	168.7	77.9	0	0	0	111.7	V30 P35 G37 F38 R61 Q62 R67 T68 S69 L71 Y79	V30-W65 HydrophobicContact CG1-CH2 4.3Å; V30-W65 HydrophobicContact CG1-CZ3 4.33Å; P35-W65 HydrophobicContact CB-CH2 4.44Å; P35-W65 HydrophobicContact CB-CZ2 4.31Å; P35-W65 HydrophobicContact CG-CH2 3.51Å; P35-W65 HydrophobicContact CG-CZ2 3.72Å; G37-W65 VanDerWaalsContact C-NE1 3.33Å; G37-W65 PolarHBondContact O-NE1 3.08Å; F38-W65 HydrophobicContact CB-CH2 4.36Å; F38-W65 HydrophobicContact CB-CZ2 3.93Å; F38-W65 HydrophobicContact CD2-CE3 4.19Å; F38-W65 AromaticContact CD2-CH2 3.76Å; F38-W65 HydrophobicContact CD2-CH2 3.76Å; F38-W65 HydrophobicContact CD2-CZ2 4.1Å; F38-W65 AromaticContact CD2-CZ3 3.8Å; F38-W65 HydrophobicContact CD2-CZ3 3.8Å; F38-W65 HydrophobicContact CE2-CZ3 4.37Å; R61-W65 PolarHBondContact O-N 3.43Å; Q62-W65 VanDerWaalsContact OE1-CE3 3.23Å; W65-R67 PolarHBondContact O-N 3.31Å; W65-R67 VanDerWaalsContact O-N 3.17Å; W65-T68 PolarHBondContact O-N 3.36Å; W65-T68 PolarHBondContact O-OG1 3.05Å; W65-S69 PolarHBondContact O-N 3.33Å; W65-L71 HydrophobicContact CH2-CD1 3.83Å; W65-L71 HydrophobicContact CH2-CD2 4.48Å; W65-L71 HydrophobicContact CH2-CG 4.18Å; W65-L71 HydrophobicContact CZ3-CD1 3.98Å; W65-Y79 HydrophobicContact CE3-CE1 4.16Å; W65-Y79 HydrophobicContact CZ3-CD1 4.39Å; W65-Y79 AromaticContact CZ3-CE1 3.69Å; W65-Y79 HydrophobicContact CZ3-CE1 3.69Å
66	A	92.2	Very high	91.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-32.6	-176.9	0	0	0	0	0	112.3	Q62 T68 S69 K76 Y79 M80	Q62-A66 WeakPolarHBondContact O-CB 3.45Å; Q62-A66 PolarHBondContact O-N 3.2Å; A66-T68 VanDerWaalsContact C-N 3.27Å; A66-T68 PolarHBondContact O-N 3.14Å; A66-S69 PolarHBondContact O-N 3.39Å; A66-S69 PolarHBondContact O-OG 2.9Å; A66-S69 VanDerWaalsContact O-OG 3.06Å; A66-K76 WeakPolarHBondContact O-CE 3.3Å; A66-K76 PolarHBondContact O-NZ 3.26Å; A66-Y79 HydrophobicContact CB-CD1 3.91Å; A66-Y79 HydrophobicContact CB-CE1 4.05Å; A66-M80 HydrophobicContact CB-CG 3.75Å; A66-M80 HydrophobicContact CB-SD 4.35Å
67	R	92.1	Very high	91.8	Very high	139 Å²	139	63 Å²	63	53%	0.525	32%	0.32	S	S	.	.	H	α-helix	trans	-58.9	-38.4	175.4	-77.5	172.3	-176.8	126.9	-4.4	112.6	L63 Q64 W65 K76 M80	L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.41Å; L63-R67 PolarHBondContact O-N 3.48Å; L63-R67 VanDerWaalsContact O-N 3.13Å; Q64-R67 PolarHBondContact O-N 2.86Å; W65-R67 PolarHBondContact O-N 3.31Å; W65-R67 VanDerWaalsContact O-N 3.17Å; R67-K76 PolarHBondContact O-NZ 3.05Å; R67-M80 HydrophobicContact CG-CE 3.62Å
68	T	91.6	Very high	91.8	Very high	117 Å²	117	67 Å²	67	72%	0.718	33%	0.331	S	S	*	.	H	α-helix	trans	-100.6	-4.3	-176.7	55.8	0	0	0	0	113.4	W65 A66	W65-T68 PolarHBondContact O-N 3.36Å; W65-T68 PolarHBondContact O-OG1 3.05Å; A66-T68 VanDerWaalsContact C-N 3.27Å; A66-T68 PolarHBondContact O-N 3.14Å
69	S	90.8	Very high	91.9	Very high	12 Å²	12	67 Å²	67	8%	0.084	33%	0.331	C	S	.	.	S	Bend	trans	-74.7	152.8	179.4	74.7	0	0	0	0	112.9	W65 A66 L71 K76	W65-S69 PolarHBondContact O-N 3.33Å; A66-S69 PolarHBondContact O-N 3.39Å; A66-S69 PolarHBondContact O-OG 2.9Å; A66-S69 VanDerWaalsContact O-OG 3.06Å; S69-L71 PolarHBondContact O-N 2.85Å; S69-L71 WeakPolarHBondContact OG-CD1 3.47Å; S69-L71 WeakPolarHBondContact OG-CG 3.44Å; S69-K76 PolarHBondContact O-NZ 2.83Å
70	N	90.9	Very high	91.9	Very high	169 Å²	169	67.8 Å²	67.8	90%	0.904	34%	0.335	S	S	*	.			trans	-85.8	31.5	174.5	-70.5	-16.1	0	0	0	112.7
71	L	89	Confident	92	Very high	18 Å²	18	68.7 Å²	68.7	9%	0.094	34%	0.34	C	S	.	.			trans	-64.5	142.7	173.6	-74.2	175	0	0	0	110.3	V30 P35 W65 S69 S73 K76 Y79	V30-L71 HydrophobicContact CG1-CD1 4.2Å; V30-L71 HydrophobicContact CG1-CD2 4.39Å; P35-L71 HydrophobicContact CB-CD2 4.13Å; P35-L71 HydrophobicContact CG-CD2 4.03Å; W65-L71 HydrophobicContact CH2-CD1 3.83Å; W65-L71 HydrophobicContact CH2-CD2 4.48Å; W65-L71 HydrophobicContact CH2-CG 4.18Å; W65-L71 HydrophobicContact CZ3-CD1 3.98Å; S69-L71 PolarHBondContact O-N 2.85Å; S69-L71 WeakPolarHBondContact OG-CD1 3.47Å; S69-L71 WeakPolarHBondContact OG-CG 3.44Å; L71-S73 PolarHBondContact O-N 3.22Å; L71-K76 HydrophobicContact CB-CB 3.79Å; L71-K76 HydrophobicContact CB-CD 4.38Å; L71-K76 HydrophobicContact CB-CG 4.35Å; L71-Y79 HydrophobicContact CD1-CD1 4.19Å
72	P	91.5	Very high	92.1	Very high	85 Å²	85	65.8 Å²	65.8	55%	0.552	33%	0.331	S	S	*	.			trans	-51.5	137.9	171.1	-25.1	33.3	0	0	0	111	D74 Q75 K76	P72-D74 VanDerWaalsContact C-N 3.3Å; P72-D74 PolarHBondContact O-N 2.91Å; P72-D74 VanDerWaalsContact O-N 3.15Å; P72-Q75 HydrophobicContact CB-CB 4.34Å; P72-Q75 PolarHBondContact O-N 3.38Å; P72-K76 WeakPolarHBondContact O-CB 3.42Å; P72-K76 PolarHBondContact O-N 3.32Å
73	S	90.9	Very high	92.1	Very high	93 Å²	93	65.7 Å²	65.7	65%	0.65	33%	0.331	S	S	*	.	H	α-helix	trans	-48.7	-47.4	-170.6	50.6	0	0	0	0	113.5	L71 K76 K77	L71-S73 PolarHBondContact O-N 3.22Å; S73-K76 PolarHBondContact O-N 3.46Å; S73-K77 WeakPolarHBondContact O-CB 3.46Å; S73-K77 PolarHBondContact O-N 3.15Å
74	D	91	Very high	92.2	Very high	103 Å²	103	71 Å²	71	55%	0.551	35%	0.35	S	S	*	.	H	α-helix	trans	-68.1	-40.8	-178.7	-68.4	-21.2	0	0	0	112.6	P72 R78	P72-D74 VanDerWaalsContact C-N 3.3Å; P72-D74 PolarHBondContact O-N 2.91Å; P72-D74 VanDerWaalsContact O-N 3.15Å; D74-R78 WeakPolarHBondContact O-CG 3.48Å; D74-R78 PolarHBondContact O-N 2.96Å; D74-R78 VanDerWaalsContact O-N 3.13Å
75	Q	89.7	Confident	92.2	Very high	50 Å²	50	68.1 Å²	68.1	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-43.5	176.7	-170.6	178.1	23.3	0	0	110.4	V30 P72 K77 R78 Y79	V30-Q75 HydrophobicContact CG2-CG 3.96Å; P72-Q75 HydrophobicContact CB-CB 4.34Å; P72-Q75 PolarHBondContact O-N 3.38Å; Q75-K77 PolarHBondContact O-N 2.83Å; Q75-R78 PolarHBondContact O-N 3.31Å; Q75-Y79 WeakPolarHBondContact O-CB 3.41Å; Q75-Y79 PolarHBondContact O-N 3.29Å
76	K	92.1	Very high	92.1	Very high	49 Å²	49	66.3 Å²	66.3	21%	0.213	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-46.8	176.7	-176.6	165.7	169	155	0	111.4	A66 R67 S69 L71 P72 S73 Y79 M80	A66-K76 WeakPolarHBondContact O-CE 3.3Å; A66-K76 PolarHBondContact O-NZ 3.26Å; R67-K76 PolarHBondContact O-NZ 3.05Å; S69-K76 PolarHBondContact O-NZ 2.83Å; L71-K76 HydrophobicContact CB-CB 3.79Å; L71-K76 HydrophobicContact CB-CD 4.38Å; L71-K76 HydrophobicContact CB-CG 4.35Å; P72-K76 WeakPolarHBondContact O-CB 3.42Å; P72-K76 PolarHBondContact O-N 3.32Å; S73-K76 PolarHBondContact O-N 3.46Å; K76-Y79 PolarHBondContact O-N 3.26Å; K76-M80 HydrophobicContact CG-SD 4.02Å; K76-M80 WeakPolarHBondContact O-CB 3.49Å; K76-M80 VanDerWaalsContact O-CG 3.27Å; K76-M80 WeakPolarHBondContact O-CG 3.22Å; K76-M80 PolarHBondContact O-N 2.96Å
77	K	93.3	Very high	92.1	Very high	142 Å²	142	68.6 Å²	68.6	62%	0.617	34%	0.344	S	S	*	.	H	α-helix	trans	-59.2	-54.5	177.1	-174.7	-177	176.7	-166.9	0	111.2	S73 Q75 Y79 M80 D81	S73-K77 WeakPolarHBondContact O-CB 3.46Å; S73-K77 PolarHBondContact O-N 3.15Å; Q75-K77 PolarHBondContact O-N 2.83Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 3.29Å; K77-M80 PolarHBondContact O-N 3.42Å; K77-D81 WeakPolarHBondContact O-CB 3.25Å; K77-D81 PolarHBondContact O-N 3.01Å
78	R	92.1	Very high	92.1	Very high	139 Å²	139	69.8 Å²	69.8	53%	0.525	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-41	179.1	-72.4	-172.4	-67.2	-100.7	1.5	112.4	V26 D74 Q75 T82	V26-R78 HydrophobicContact CG1-CB 4.36Å; D74-R78 WeakPolarHBondContact O-CG 3.48Å; D74-R78 PolarHBondContact O-N 2.96Å; D74-R78 VanDerWaalsContact O-N 3.13Å; Q75-R78 PolarHBondContact O-N 3.31Å; R78-T82 WeakPolarHBondContact O-CB 3.34Å; R78-T82 PolarHBondContact O-N 3.47Å; R78-T82 PolarHBondContact O-OG1 3.13Å
79	Y	93.1	Very high	92	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-50.4	178.1	-174.7	-114.9	0	0	0	111.5	V26 L27 V30 Q62 W65 A66 L71 Q75 K76 K77 D81 T82 L83 Y110	V26-Y79 HydrophobicContact CG1-CD2 4.43Å; L27-Y79 HydrophobicContact CD2-CD2 3.74Å; L27-Y79 HydrophobicContact CD2-CE2 3.4Å; L27-Y79 VanDerWaalsContact CD2-CE2 3.4Å; V30-Y79 HydrophobicContact CB-CD2 3.75Å; V30-Y79 HydrophobicContact CB-CE2 3.75Å; V30-Y79 HydrophobicContact CB-CG 4.38Å; V30-Y79 HydrophobicContact CG1-CD1 4.35Å; V30-Y79 HydrophobicContact CG1-CD2 3.99Å; V30-Y79 HydrophobicContact CG1-CE1 4.19Å; V30-Y79 HydrophobicContact CG1-CE2 3.81Å; V30-Y79 HydrophobicContact CG1-CG 4.26Å; V30-Y79 HydrophobicContact CG2-CD2 3.55Å; V30-Y79 HydrophobicContact CG2-CE2 4.11Å; V30-Y79 HydrophobicContact CG2-CG 3.93Å; Q62-Y79 PolarHBondContact OE1-OH 3.2Å; W65-Y79 HydrophobicContact CE3-CE1 4.16Å; W65-Y79 HydrophobicContact CZ3-CD1 4.39Å; W65-Y79 AromaticContact CZ3-CE1 3.69Å; W65-Y79 HydrophobicContact CZ3-CE1 3.69Å; A66-Y79 HydrophobicContact CB-CD1 3.91Å; A66-Y79 HydrophobicContact CB-CE1 4.05Å; L71-Y79 HydrophobicContact CD1-CD1 4.19Å; Q75-Y79 WeakPolarHBondContact O-CB 3.41Å; Q75-Y79 PolarHBondContact O-N 3.29Å; K76-Y79 PolarHBondContact O-N 3.26Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 3.29Å; Y79-D81 PolarHBondContact O-N 3.36Å; Y79-T82 WeakPolarHBondContact O-CB 3.27Å; Y79-T82 PolarHBondContact O-N 3.37Å; Y79-L83 HydrophobicContact CD1-CD1 3.78Å; Y79-L83 HydrophobicContact CD1-CG 4.46Å; Y79-L83 HydrophobicContact CE1-CD1 3.39Å; Y79-L83 HydrophobicContact CE1-CG 4.19Å; Y79-L83 HydrophobicContact CE2-CD1 4.48Å; Y79-L83 HydrophobicContact CE2-CG 4.45Å; Y79-L83 HydrophobicContact CG-CD1 4.45Å; Y79-L83 WeakPolarHBondContact O-CG 3.11Å; Y79-L83 PolarHBondContact O-N 2.79Å; Y79-Y110 PolarHBondContact OH-OH 3.42Å
80	M	94.6	Very high	92	Very high	18 Å²	18	66.2 Å²	66.2	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-40.2	178.6	-72	-177.8	69.9	0	0	112.7	L63 A66 R67 K76 K77 T82 L83 R84	L63-M80 HydrophobicContact CD2-CB 4.13Å; L63-M80 HydrophobicContact CD2-CE 4.33Å; L63-M80 HydrophobicContact CD2-CG 4.3Å; A66-M80 HydrophobicContact CB-CG 3.75Å; A66-M80 HydrophobicContact CB-SD 4.35Å; R67-M80 HydrophobicContact CG-CE 3.62Å; K76-M80 HydrophobicContact CG-SD 4.02Å; K76-M80 WeakPolarHBondContact O-CB 3.49Å; K76-M80 VanDerWaalsContact O-CG 3.27Å; K76-M80 WeakPolarHBondContact O-CG 3.22Å; K76-M80 PolarHBondContact O-N 2.96Å; K77-M80 PolarHBondContact O-N 3.42Å; M80-T82 VanDerWaalsContact C-N 3.32Å; M80-L83 PolarHBondContact O-N 3.15Å; M80-R84 VanDerWaalsContact O-CG 3.3Å; M80-R84 WeakPolarHBondContact O-CG 3.32Å; M80-R84 PolarHBondContact O-N 3.31Å
81	D	94.6	Very high	91.9	Very high	66 Å²	66	64.8 Å²	64.8	35%	0.353	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-42.4	176.3	-72.2	-20.9	0	0	0	111.1	K77 Y79 L83 R84 T85	K77-D81 WeakPolarHBondContact O-CB 3.25Å; K77-D81 PolarHBondContact O-N 3.01Å; Y79-D81 PolarHBondContact O-N 3.36Å; D81-L83 PolarHBondContact O-N 3.17Å; D81-R84 PolarHBondContact O-N 3.46Å; D81-R84 IonicContact OD1-CZ 2.67Å; D81-R84 IonicContact OD1-NH1 4Å; D81-R84 PolarHBondContact OD1-NH1 3.33Å; D81-T85 PolarHBondContact O-N 3.21Å; D81-T85 VanDerWaalsContact O-N 3.08Å; D81-T85 PolarHBondContact O-OG1 3.31Å
82	T	92.7	Very high	91.8	Very high	22 Å²	22	70.9 Å²	70.9	14%	0.135	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-45.5	175.2	-60.3	0	0	0	0	111.5	L27 R78 Y79 M80 R84 T85 I86	L27-T82 HydrophobicContact CD2-CG2 3.74Å; L27-T82 HydrophobicContact CG-CG2 3.96Å; R78-T82 WeakPolarHBondContact O-CB 3.34Å; R78-T82 PolarHBondContact O-N 3.47Å; R78-T82 PolarHBondContact O-OG1 3.13Å; Y79-T82 WeakPolarHBondContact O-CB 3.27Å; Y79-T82 PolarHBondContact O-N 3.37Å; M80-T82 VanDerWaalsContact C-N 3.32Å; T82-R84 PolarHBondContact O-N 3.43Å; T82-T85 PolarHBondContact O-N 3.08Å; T82-I86 HydrophobicContact CG2-CD1 3.79Å; T82-I86 WeakPolarHBondContact O-CG1 3.38Å; T82-I86 PolarHBondContact O-N 3.33Å
83	L	93.8	Very high	91.4	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-38.9	177.2	-71.6	175	0	0	0	112.8	L27 A59 Q62 L63 Y79 M80 D81 I86 K87 Y110	L27-L83 HydrophobicContact CD2-CD2 3.97Å; L27-L83 HydrophobicContact CD2-CG 4.33Å; A59-L83 HydrophobicContact CB-CD2 4.24Å; Q62-L83 HydrophobicContact CB-CD1 3.68Å; Q62-L83 HydrophobicContact CB-CD2 3.91Å; Q62-L83 HydrophobicContact CB-CG 4.48Å; L63-L83 HydrophobicContact CD1-CB 4.29Å; L63-L83 HydrophobicContact CD2-CB 3.75Å; L63-L83 HydrophobicContact CD2-CD1 4.12Å; L63-L83 HydrophobicContact CG-CB 3.72Å; L63-L83 HydrophobicContact CG-CD1 4.04Å; Y79-L83 HydrophobicContact CD1-CD1 3.78Å; Y79-L83 HydrophobicContact CD1-CG 4.46Å; Y79-L83 HydrophobicContact CE1-CD1 3.39Å; Y79-L83 HydrophobicContact CE1-CG 4.19Å; Y79-L83 HydrophobicContact CE2-CD1 4.48Å; Y79-L83 HydrophobicContact CE2-CG 4.45Å; Y79-L83 HydrophobicContact CG-CD1 4.45Å; Y79-L83 WeakPolarHBondContact O-CG 3.11Å; Y79-L83 PolarHBondContact O-N 2.79Å; M80-L83 PolarHBondContact O-N 3.15Å; D81-L83 PolarHBondContact O-N 3.17Å; L83-I86 PolarHBondContact O-N 2.93Å; L83-K87 VanDerWaalsContact O-CB 3.27Å; L83-K87 WeakPolarHBondContact O-CB 3.42Å; L83-K87 PolarHBondContact O-N 2.99Å; L83-Y110 WeakPolarHBondContact CD2-OH 3.38Å
84	R	94.8	Very high	90.6	Very high	115 Å²	115	63.9 Å²	63.9	43%	0.434	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-44.5	175.8	-73.8	168.8	-174.4	142.4	-3.5	111.3	L63 M80 D81 T82 R88	L63-R84 HydrophobicContact CD1-CG 4.18Å; L63-R84 HydrophobicContact CD2-CG 4Å; M80-R84 VanDerWaalsContact O-CG 3.3Å; M80-R84 WeakPolarHBondContact O-CG 3.32Å; M80-R84 PolarHBondContact O-N 3.31Å; D81-R84 PolarHBondContact O-N 3.46Å; D81-R84 IonicContact OD1-CZ 2.67Å; D81-R84 IonicContact OD1-NH1 4Å; D81-R84 PolarHBondContact OD1-NH1 3.33Å; T82-R84 PolarHBondContact O-N 3.43Å; R84-R88 WeakPolarHBondContact O-CB 3.26Å; R84-R88 PolarHBondContact O-N 2.92Å
85	T	92.2	Very high	89.8	Confident	53 Å²	53	70.4 Å²	70.4	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-50.7	176.2	-61.2	0	0	0	0	110.4	P20 D81 T82 K87 R88 E89	P20-T85 HydrophobicContact CG-CG2 3.96Å; D81-T85 PolarHBondContact O-N 3.21Å; D81-T85 VanDerWaalsContact O-N 3.08Å; D81-T85 PolarHBondContact O-OG1 3.31Å; T82-T85 PolarHBondContact O-N 3.08Å; T85-K87 PolarHBondContact O-N 2.91Å; T85-R88 PolarHBondContact O-N 3.36Å; T85-R88 VanDerWaalsContact O-N 3.14Å; T85-E89 HydrophobicContact CG2-CG 4.23Å; T85-E89 WeakPolarHBondContact O-CG 3.47Å; T85-E89 PolarHBondContact O-N 3.41Å
86	I	90.7	Very high	89.5	Confident	2 Å²	2	75 Å²	75	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-47.4	179.3	-70.5	166.4	0	0	0	111.4	F19 L27 L55 A59 T82 L83 R88 E89 A90 F106	F19-I86 HydrophobicContact CD1-CB 4.24Å; F19-I86 HydrophobicContact CD1-CG1 3.73Å; F19-I86 HydrophobicContact CE1-CB 4.06Å; F19-I86 HydrophobicContact CE1-CG1 4.01Å; F19-I86 HydrophobicContact CE1-CG2 3.92Å; F19-I86 HydrophobicContact CG-CG1 4.29Å; F19-I86 HydrophobicContact CZ-CG2 4.26Å; L27-I86 HydrophobicContact CD1-CD1 3.38Å; L27-I86 HydrophobicContact CD2-CD1 4.33Å; L27-I86 HydrophobicContact CG-CD1 4.04Å; L55-I86 HydrophobicContact CD1-CG2 4.04Å; L55-I86 HydrophobicContact CD2-CG2 3.7Å; L55-I86 HydrophobicContact CG-CG2 3.65Å; A59-I86 HydrophobicContact CB-CG2 4.25Å; T82-I86 HydrophobicContact CG2-CD1 3.79Å; T82-I86 WeakPolarHBondContact O-CG1 3.38Å; T82-I86 PolarHBondContact O-N 3.33Å; L83-I86 PolarHBondContact O-N 2.93Å; I86-R88 VanDerWaalsContact C-N 3.29Å; I86-R88 PolarHBondContact O-N 3.48Å; I86-E89 PolarHBondContact O-N 2.91Å; I86-A90 WeakPolarHBondContact O-CB 3.12Å; I86-A90 PolarHBondContact O-N 3.46Å; I86-F106 HydrophobicContact CD1-CD1 3.6Å; I86-F106 HydrophobicContact CD1-CE1 3.74Å; I86-F106 HydrophobicContact CG1-CD1 4.29Å; I86-F106 HydrophobicContact CG1-CE1 4.33Å
87	K	92.6	Very high	88.9	Confident	48 Å²	48	78.8 Å²	78.8	21%	0.209	35%	0.349	C	S	.	.	H	α-helix	trans	-55.1	-46.9	177.4	-177.7	-177.7	-179.3	177.5	0	111	S56 A59 D60 L63 L83 T85 K91	S56-K87 PolarHBondContact OG-O 2.86Å; A59-K87 HydrophobicContact CB-CB 3.95Å; D60-K87 HydrophobicContact CB-CD 4.25Å; D60-K87 IonicContact OD1-NZ 2.65Å; D60-K87 PolarHBondContact OD1-NZ 3.24Å; D60-K87 IonicContact OD2-NZ 2.69Å; D60-K87 PolarHBondContact OD2-NZ 3.34Å; L63-K87 HydrophobicContact CD1-CD 4.17Å; L83-K87 VanDerWaalsContact O-CB 3.27Å; L83-K87 WeakPolarHBondContact O-CB 3.42Å; L83-K87 PolarHBondContact O-N 2.99Å; T85-K87 PolarHBondContact O-N 2.91Å; K87-K91 WeakPolarHBondContact O-CG 3.46Å; K87-K91 PolarHBondContact O-N 3.17Å
88	R	91.8	Very high	88.5	Confident	163 Å²	163	75.7 Å²	75.7	62%	0.615	34%	0.337	S	S	*	.	H	α-helix	trans	-65.2	-49.8	-178.3	-178	-175.6	-66.2	-178.9	-1.1	111.6	R84 T85 I86 K91 K92	R84-R88 WeakPolarHBondContact O-CB 3.26Å; R84-R88 PolarHBondContact O-N 2.92Å; T85-R88 PolarHBondContact O-N 3.36Å; T85-R88 VanDerWaalsContact O-N 3.14Å; I86-R88 VanDerWaalsContact C-N 3.29Å; I86-R88 PolarHBondContact O-N 3.48Å; R88-K91 PolarHBondContact O-N 3.26Å; R88-K92 WeakPolarHBondContact O-CG 3.36Å; R88-K92 PolarHBondContact O-N 3.33Å
89	E	90.4	Very high	88.2	Confident	53 Å²	53	70.3 Å²	70.3	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-71	-41	-175.8	-62.2	-50.4	127.2	0	0	111.2	L18 F19 T85 I86 K91 K92 A93	L18-E89 HydrophobicContact CG-CB 4.12Å; L18-E89 WeakPolarHBondContact O-CG 3.35Å; F19-E89 HydrophobicContact CD1-CB 4.04Å; F19-E89 HydrophobicContact CE1-CB 3.81Å; T85-E89 HydrophobicContact CG2-CG 4.23Å; T85-E89 WeakPolarHBondContact O-CG 3.47Å; T85-E89 PolarHBondContact O-N 3.41Å; I86-E89 PolarHBondContact O-N 2.91Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.07Å; E89-K92 PolarHBondContact O-N 3.43Å; E89-K92 VanDerWaalsContact O-N 3.12Å; E89-K92 IonicContact OE1-NZ 2.92Å; E89-A93 VanDerWaalsContact O-CB 3.22Å; E89-A93 WeakPolarHBondContact O-CB 3.23Å; E89-A93 PolarHBondContact O-N 3.48Å
90	A	90	Very high	87.9	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-32	175.8	0	0	0	0	0	113	F19 C52 L55 I86	F19-A90 HydrophobicContact CE1-CB 4.43Å; F19-A90 HydrophobicContact CZ-CB 4.25Å; C52-A90 HydrophobicContact CB-CB 4.36Å; C52-A90 WeakPolarHBondContact CB-O 3.3Å; C52-A90 WeakPolarHBondContact O-CB 3.31Å; L55-A90 HydrophobicContact CD2-CB 4.38Å; L55-A90 HydrophobicContact CG-CB 4.49Å; I86-A90 WeakPolarHBondContact O-CB 3.12Å; I86-A90 PolarHBondContact O-N 3.46Å
91	K	88.3	Confident	87.6	Confident	139 Å²	139	77.2 Å²	77.2	60%	0.604	35%	0.353	S	S	*	.	H	α-helix	trans	-68.8	-34	173.6	-79.8	-169.2	178.3	-161.7	0	113.6	S56 K87 R88 E89	S56-K91 WeakPolarHBondContact OG-CE 3.38Å; S56-K91 WeakPolarHBondContact OG-CG 3.41Å; K87-K91 WeakPolarHBondContact O-CG 3.46Å; K87-K91 PolarHBondContact O-N 3.17Å; R88-K91 PolarHBondContact O-N 3.26Å; E89-K91 VanDerWaalsContact C-N 3.3Å; E89-K91 PolarHBondContact O-N 3.07Å
92	K	87	Confident	87.2	Confident	146 Å²	146	75.4 Å²	75.4	64%	0.635	34%	0.343	S	S	*	.	H	α-helix	trans	-80.3	-30	179.4	-68.2	176.1	-179.9	177.6	0	111.4	R88 E89	R88-K92 WeakPolarHBondContact O-CG 3.36Å; R88-K92 PolarHBondContact O-N 3.33Å; E89-K92 PolarHBondContact O-N 3.43Å; E89-K92 VanDerWaalsContact O-N 3.12Å; E89-K92 IonicContact OE1-NZ 2.92Å
93	A	84	Confident	87.1	Confident	17 Å²	17	74.4 Å²	74.4	14%	0.14	34%	0.336	C	S	.	.			trans	-82.6	-175.3	179.7	0	0	0	0	0	112.5	L18 E89 D99	L18-A93 HydrophobicContact CD1-CB 3.69Å; L18-A93 HydrophobicContact CD2-CB 3.39Å; L18-A93 HydrophobicContact CG-CB 4.16Å; E89-A93 VanDerWaalsContact O-CB 3.22Å; E89-A93 WeakPolarHBondContact O-CB 3.23Å; E89-A93 PolarHBondContact O-N 3.48Å; A93-D99 HydrophobicContact CB-CB 3.95Å
94	G	73.5	Confident	86.9	Confident	15 Å²	15	76.2 Å²	76.2	16%	0.155	35%	0.349	C	S	.	.			trans	106.9	2.4	173.8	0	0	0	0	0	114.8
95	R	74.8	Confident	86.6	Confident	239 Å²	239	76.2 Å²	76.2	90%	0.902	35%	0.354	S	S	*	.	S	Bend	trans	-92.6	-27.2	173.2	-60.3	-173.6	-170.6	-179.7	2.3	113.3
96	K	82.9	Confident	86.4	Confident	146 Å²	146	74.4 Å²	74.4	64%	0.635	34%	0.342	S	S	*	.	S	Bend	trans	-105.5	141.2	-177.2	-59.8	179.3	-178.8	178.9	0	110.6	Q98 D99 L100	K96-Q98 PolarHBondContact O-N 3.45Å; K96-D99 WeakPolarHBondContact O-CB 3.2Å; K96-D99 PolarHBondContact O-N 2.9Å; K96-L100 PolarHBondContact O-N 3.1Å; K96-L100 VanDerWaalsContact O-N 3.14Å
97	N	80.8	Confident	86.4	Confident	129 Å²	129	74.3 Å²	74.3	69%	0.69	34%	0.341	S	S	*	.	H	α-helix	trans	-56.9	-35.9	176.8	-76.2	-14.2	0	0	0	112.8	D99 L100 M101	N97-D99 VanDerWaalsContact C-N 3.32Å; N97-D99 PolarHBondContact O-N 3.36Å; N97-L100 PolarHBondContact O-N 2.74Å; N97-M101 WeakPolarHBondContact O-CG 3.45Å; N97-M101 PolarHBondContact O-N 3.23Å
98	Q	83.6	Confident	86.2	Confident	78 Å²	78	76 Å²	76	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-38.6	177.4	-171.8	173.5	0.6	0	0	112.5	C15 K96 M101 Q102	C15-Q98 PolarHBondContact SG-NE2 3.27Å; C15-Q98 VanDerWaalsContact SG-NE2 3.37Å; K96-Q98 PolarHBondContact O-N 3.45Å; Q98-M101 PolarHBondContact O-N 3.18Å; Q98-Q102 WeakPolarHBondContact O-CG 3.35Å; Q98-Q102 PolarHBondContact O-N 2.83Å
99	D	85.9	Confident	86	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.134	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-44.8	175.9	-57.9	-19.4	0	0	0	110.3	L18 A93 K96 N97 M101 Q102 C103	L18-D99 HydrophobicContact CD2-CB 4.47Å; A93-D99 HydrophobicContact CB-CB 3.95Å; K96-D99 WeakPolarHBondContact O-CB 3.2Å; K96-D99 PolarHBondContact O-N 2.9Å; N97-D99 VanDerWaalsContact C-N 3.32Å; N97-D99 PolarHBondContact O-N 3.36Å; D99-M101 VanDerWaalsContact C-N 3.28Å; D99-M101 PolarHBondContact O-N 2.83Å; D99-Q102 PolarHBondContact O-N 3.42Å; D99-Q102 VanDerWaalsContact O-N 3.17Å; D99-C103 WeakPolarHBondContact O-CB 3.38Å; D99-C103 PolarHBondContact O-N 3.25Å; D99-C103 PolarHBondContact O-SG 2.91Å
100	L	87.7	Confident	85.9	Confident	45 Å²	45	67 Å²	67	24%	0.236	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-39.6	178.8	-65.9	176.6	0	0	0	111.8	N50 K96 N97 S104	N50-L100 HydrophobicContact CB-CD2 3.79Å; K96-L100 PolarHBondContact O-N 3.1Å; K96-L100 VanDerWaalsContact O-N 3.14Å; N97-L100 PolarHBondContact O-N 2.74Å; L100-S104 VanDerWaalsContact O-CB 3.31Å; L100-S104 WeakPolarHBondContact O-CB 3.09Å; L100-S104 PolarHBondContact O-N 3.44Å
101	M	87.2	Confident	85.8	Confident	119 Å²	119	67.5 Å²	67.5	59%	0.586	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-47	174.9	-72.5	-170.9	-67.8	0	0	112	N97 Q98 D99 C103 S104 Q105	N97-M101 WeakPolarHBondContact O-CG 3.45Å; N97-M101 PolarHBondContact O-N 3.23Å; Q98-M101 PolarHBondContact O-N 3.18Å; D99-M101 VanDerWaalsContact C-N 3.28Å; D99-M101 PolarHBondContact O-N 2.83Å; M101-C103 PolarHBondContact O-N 2.89Å; M101-S104 PolarHBondContact O-N 3.33Å; M101-Q105 WeakPolarHBondContact O-CG 3.33Å; M101-Q105 PolarHBondContact O-N 3.5Å
102	Q	87.7	Confident	85.4	Confident	28 Å²	28	65.8 Å²	65.8	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-44.6	177.2	-70.2	-176.7	63	0	0	111.3	A16 F19 Q98 D99 S104 Q105 F106	A16-Q102 PolarHBondContact O-NE2 2.69Å; F19-Q102 HydrophobicContact CE2-CB 4.45Å; Q98-Q102 WeakPolarHBondContact O-CG 3.35Å; Q98-Q102 PolarHBondContact O-N 2.83Å; D99-Q102 PolarHBondContact O-N 3.42Å; D99-Q102 VanDerWaalsContact O-N 3.17Å; Q102-S104 VanDerWaalsContact C-N 3.32Å; Q102-S104 PolarHBondContact O-N 3.28Å; Q102-Q105 PolarHBondContact O-N 2.84Å; Q102-F106 WeakPolarHBondContact O-CD2 3.28Å; Q102-F106 PolarHBondContact O-N 3.43Å
103	C	89.7	Confident	84.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-42.8	174.9	-66.5	0	0	0	0	111.5	A51 C52 L55 D99 M101 Q105 F106 L107	A51-C103 HydrophobicContact CB-CB 4.14Å; C52-C103 WeakPolarHBondContact CA-SG 3.42Å; C52-C103 HydrophobicContact CB-CB 3.86Å; C52-C103 WeakPolarHBondContact CB-SG 3.46Å; C52-C103 WeakPolarHBondContact SG-CB 3.45Å; C52-C103 CovalentContact SG-SG 2.04Å; C52-C103 PolarHBondContact SG-SG 3.06Å; L55-C103 HydrophobicContact CD2-CB 4.02Å; D99-C103 WeakPolarHBondContact O-CB 3.38Å; D99-C103 PolarHBondContact O-N 3.25Å; D99-C103 PolarHBondContact O-SG 2.91Å; M101-C103 PolarHBondContact O-N 2.89Å; C103-Q105 VanDerWaalsContact C-N 3.32Å; C103-Q105 PolarHBondContact O-N 2.8Å; C103-F106 PolarHBondContact O-N 3.05Å; C103-L107 WeakPolarHBondContact O-CB 2.91Å; C103-L107 PolarHBondContact O-N 3.41Å
104	S	88.8	Confident	83.2	Confident	39 Å²	39	66.7 Å²	66.7	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-62.7	-37.3	178	-170.9	0	0	0	0	112.4	L100 M101 Q102 L107 N108	L100-S104 VanDerWaalsContact O-CB 3.31Å; L100-S104 WeakPolarHBondContact O-CB 3.09Å; L100-S104 PolarHBondContact O-N 3.44Å; M101-S104 PolarHBondContact O-N 3.33Å; Q102-S104 VanDerWaalsContact C-N 3.32Å; Q102-S104 PolarHBondContact O-N 3.28Å; S104-L107 PolarHBondContact O-N 2.87Å; S104-N108 WeakPolarHBondContact O-CB 3.38Å; S104-N108 PolarHBondContact O-N 3.48Å; S104-N108 PolarHBondContact O-ND2 3.42Å
105	Q	88.6	Confident	81.6	Confident	115 Å²	115	69.2 Å²	69.2	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-48.8	176.8	-73.7	176.2	-11.4	0	0	111.4	M101 Q102 C103 L107 N108	M101-Q105 WeakPolarHBondContact O-CG 3.33Å; M101-Q105 PolarHBondContact O-N 3.5Å; Q102-Q105 PolarHBondContact O-N 2.84Å; C103-Q105 VanDerWaalsContact C-N 3.32Å; C103-Q105 PolarHBondContact O-N 2.8Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; Q105-N108 PolarHBondContact O-N 2.74Å
106	F	89.4	Confident	79.9	Confident	15 Å²	15	60.8 Å²	60.8	7%	0.066	35%	0.35	C	S	.	.	H	α-helix	trans	-65.5	-39.7	177.5	-84.7	-108.6	0	0	0	111.8	F19 Y24 L27 L55 I86 Q102 C103 N108 L109	F19-F106 HydrophobicContact CB-CE1 4.24Å; F19-F106 HydrophobicContact CB-CE2 4.15Å; F19-F106 HydrophobicContact CB-CZ 3.73Å; F19-F106 HydrophobicContact CD2-CD1 4.42Å; F19-F106 AromaticContact CD2-CD2 3.7Å; F19-F106 HydrophobicContact CD2-CD2 3.7Å; F19-F106 HydrophobicContact CD2-CE1 4.35Å; F19-F106 AromaticContact CD2-CE2 3.59Å; F19-F106 HydrophobicContact CD2-CE2 3.59Å; F19-F106 HydrophobicContact CD2-CG 4.13Å; F19-F106 AromaticContact CD2-CZ 3.93Å; F19-F106 HydrophobicContact CD2-CZ 3.93Å; F19-F106 HydrophobicContact CE2-CD2 4.08Å; F19-F106 HydrophobicContact CE2-CE2 4.42Å; F19-F106 HydrophobicContact CE2-CG 4.29Å; F19-F106 HydrophobicContact CG-CE1 4.36Å; F19-F106 HydrophobicContact CG-CE2 4.22Å; F19-F106 HydrophobicContact CG-CZ 4.09Å; Y24-F106 HydrophobicContact CD2-CD1 4.3Å; Y24-F106 AromaticContact CD2-CD2 3.89Å; Y24-F106 HydrophobicContact CD2-CD2 3.89Å; Y24-F106 HydrophobicContact CD2-CE1 4.19Å; Y24-F106 AromaticContact CD2-CE2 3.78Å; Y24-F106 HydrophobicContact CD2-CE2 3.78Å; Y24-F106 HydrophobicContact CD2-CG 4.16Å; Y24-F106 AromaticContact CD2-CZ 3.95Å; Y24-F106 HydrophobicContact CD2-CZ 3.95Å; Y24-F106 HydrophobicContact CG-CZ 4.33Å; L27-F106 HydrophobicContact CD1-CD1 3.79Å; L27-F106 HydrophobicContact CD1-CE1 4.27Å; L55-F106 HydrophobicContact CD1-CB 3.97Å; L55-F106 HydrophobicContact CD2-CB 3.69Å; I86-F106 HydrophobicContact CD1-CD1 3.6Å; I86-F106 HydrophobicContact CD1-CE1 3.74Å; I86-F106 HydrophobicContact CG1-CD1 4.29Å; I86-F106 HydrophobicContact CG1-CE1 4.33Å; Q102-F106 WeakPolarHBondContact O-CD2 3.28Å; Q102-F106 PolarHBondContact O-N 3.43Å; C103-F106 PolarHBondContact O-N 3.05Å; F106-N108 VanDerWaalsContact C-N 3.33Å; F106-N108 PolarHBondContact O-N 2.88Å; F106-L109 WeakPolarHBondContact O-CB 3.09Å; F106-L109 PolarHBondContact O-N 3.41Å
107	L	89.3	Confident	77.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.6	-37	-179.7	-171.7	51.7	0	0	0	112	Y46 A51 A54 L55 V58 C103 S104 Q105 L109 Y110 M111	Y46-L107 HydrophobicContact CD1-CD2 4.18Å; Y46-L107 HydrophobicContact CE1-CD2 3.33Å; Y46-L107 HydrophobicContact CE1-CG 4.41Å; Y46-L107 HydrophobicContact CE2-CD2 3.87Å; Y46-L107 HydrophobicContact CE2-CG 4.24Å; Y46-L107 WeakPolarHBondContact OH-CD2 3.36Å; Y46-L107 WeakPolarHBondContact OH-CG 3.15Å; A51-L107 WeakPolarHBondContact O-CD2 3.33Å; A54-L107 HydrophobicContact CB-CD2 3.55Å; L55-L107 HydrophobicContact CB-CB 4.36Å; L55-L107 HydrophobicContact CB-CD1 4.38Å; L55-L107 HydrophobicContact CB-CD2 4.47Å; L55-L107 HydrophobicContact CD1-CB 4.2Å; L55-L107 HydrophobicContact CD1-CD1 4.28Å; V58-L107 HydrophobicContact CB-CD1 4.21Å; V58-L107 HydrophobicContact CG2-CD1 3.69Å; C103-L107 WeakPolarHBondContact O-CB 2.91Å; C103-L107 PolarHBondContact O-N 3.41Å; S104-L107 PolarHBondContact O-N 2.87Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; L107-L109 PolarHBondContact O-N 2.78Å; L107-Y110 WeakPolarHBondContact O-CA 3.48Å; L107-Y110 WeakPolarHBondContact O-CB 3.38Å; L107-Y110 PolarHBondContact O-N 3.05Å; L107-M111 HydrophobicContact CD1-CE 3.28Å; L107-M111 HydrophobicContact CD2-CE 4.28Å; L107-M111 HydrophobicContact CG-CE 3.6Å; L107-M111 WeakPolarHBondContact O-CG 3.27Å; L107-M111 PolarHBondContact O-N 3.33Å
108	N	88.1	Confident	75.3	Confident	85 Å²	85	62.2 Å²	62.2	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-26.5	177.4	-79.5	-26.7	0	0	0	113.6	S104 Q105 F106 Y110 M111	S104-N108 WeakPolarHBondContact O-CB 3.38Å; S104-N108 PolarHBondContact O-N 3.48Å; S104-N108 PolarHBondContact O-ND2 3.42Å; Q105-N108 PolarHBondContact O-N 2.74Å; F106-N108 VanDerWaalsContact C-N 3.33Å; F106-N108 PolarHBondContact O-N 2.88Å; N108-Y110 PolarHBondContact O-N 3.28Å; N108-M111 PolarHBondContact O-N 3Å
109	L	88	Confident	73	Confident	24 Å²	24	69.7 Å²	69.7	13%	0.126	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.4	172.6	-67	175.3	0	0	0	112.3	Y24 L27 Q28 I31 F106 L107	Y24-L109 HydrophobicContact CD1-CD1 4.43Å; Y24-L109 HydrophobicContact CD2-CD1 3.81Å; Y24-L109 HydrophobicContact CE1-CD1 4.2Å; Y24-L109 HydrophobicContact CE1-CD2 4.08Å; Y24-L109 HydrophobicContact CE2-CD1 3.54Å; Y24-L109 HydrophobicContact CE2-CD2 4.19Å; Y24-L109 HydrophobicContact CE2-CG 3.81Å; Y24-L109 HydrophobicContact CG-CD1 4.26Å; Y24-L109 WeakPolarHBondContact OH-CD2 3.38Å; L27-L109 HydrophobicContact CB-CD1 4.04Å; Q28-L109 HydrophobicContact CB-CD1 4.49Å; Q28-L109 HydrophobicContact CB-CD2 4.34Å; Q28-L109 HydrophobicContact CG-CD2 4.31Å; I31-L109 HydrophobicContact CD1-CB 3.58Å; I31-L109 HydrophobicContact CD1-CD1 4.27Å; I31-L109 VanDerWaalsContact CG2-O 3.23Å; I31-L109 WeakPolarHBondContact CG2-O 3.47Å; F106-L109 WeakPolarHBondContact O-CB 3.09Å; F106-L109 PolarHBondContact O-N 3.41Å; L107-L109 PolarHBondContact O-N 2.78Å
110	Y	89.5	Confident	70.7	Confident	1 Å²	1	71.2 Å²	71.2	0%	0.004	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.9	-177.4	-69.8	-74.8	0	0	0	113.8	L27 I31 F38 L40 Y41 V58 Q62 Y79 L83 L107 N108	L27-Y110 HydrophobicContact CD1-CE2 3.75Å; L27-Y110 WeakPolarHBondContact CD1-OH 3.37Å; L27-Y110 WeakPolarHBondContact CD2-OH 3.41Å; I31-Y110 HydrophobicContact CD1-CD1 3.86Å; I31-Y110 HydrophobicContact CD1-CD2 4.24Å; I31-Y110 HydrophobicContact CD1-CE1 3.49Å; I31-Y110 VanDerWaalsContact CD1-CE1 3.49Å; I31-Y110 HydrophobicContact CD1-CE2 3.94Å; I31-Y110 HydrophobicContact CD1-CG 4.21Å; I31-Y110 HydrophobicContact CG1-CD1 4.3Å; I31-Y110 HydrophobicContact CG1-CE1 3.84Å; F38-Y110 HydrophobicContact CE2-CE1 4.19Å; F38-Y110 AromaticContact CZ-CD1 3.85Å; F38-Y110 HydrophobicContact CZ-CD1 3.85Å; F38-Y110 AromaticContact CZ-CE1 3.85Å; F38-Y110 HydrophobicContact CZ-CE1 3.85Å; L40-Y110 VanDerWaalsContact CD2-O 3.24Å; L40-Y110 WeakPolarHBondContact CD2-O 3.19Å; Y41-Y110 HydrophobicContact CE2-CD1 4.32Å; Y41-Y110 PolarHBondContact N-O 3.02Å; V58-Y110 HydrophobicContact CG1-CD1 3.82Å; V58-Y110 HydrophobicContact CG1-CD2 3.61Å; V58-Y110 HydrophobicContact CG1-CE1 4.25Å; V58-Y110 HydrophobicContact CG1-CE2 4.02Å; V58-Y110 HydrophobicContact CG1-CG 3.48Å; V58-Y110 VanDerWaalsContact CG1-CG 3.48Å; Q62-Y110 HydrophobicContact CG-CD1 4.14Å; Q62-Y110 HydrophobicContact CG-CE1 3.61Å; Y79-Y110 PolarHBondContact OH-OH 3.42Å; L83-Y110 WeakPolarHBondContact CD2-OH 3.38Å; L107-Y110 WeakPolarHBondContact O-CA 3.48Å; L107-Y110 WeakPolarHBondContact O-CB 3.38Å; L107-Y110 PolarHBondContact O-N 3.05Å; N108-Y110 PolarHBondContact O-N 3.28Å
111	M	86.9	Confident	68.2	Low	12 Å²	12	78.5 Å²	78.5	6%	0.059	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-87.4	145.8	-177.8	-66.3	-62.3	143.8	0	0	111.5	Y41 F45 Y46 V58 L107 N108	Y41-M111 CarbonylContact O-C 3.57Å; Y41-M111 WeakPolarHBondContact O-CA 3.38Å; F45-M111 HydrophobicContact CD1-CE 4.48Å; Y46-M111 HydrophobicContact CD2-CE 4.3Å; Y46-M111 HydrophobicContact CD2-SD 4.39Å; Y46-M111 HydrophobicContact CE2-CE 3.8Å; Y46-M111 HydrophobicContact CE2-CG 4.24Å; Y46-M111 HydrophobicContact CE2-SD 3.86Å; V58-M111 HydrophobicContact CG2-CE 4.43Å; L107-M111 HydrophobicContact CD1-CE 3.28Å; L107-M111 HydrophobicContact CD2-CE 4.28Å; L107-M111 HydrophobicContact CG-CE 3.6Å; L107-M111 WeakPolarHBondContact O-CG 3.27Å; L107-M111 PolarHBondContact O-N 3.33Å; N108-M111 PolarHBondContact O-N 3Å
112	R	80.3	Confident	65.9	Low	103 Å²	103	81.6 Å²	81.6	39%	0.389	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-64	134.3	166.7	-67.3	-177.6	93	147.4	-0.5	109.5	L40 Y41 D42 A114	L40-R112 HydrophobicContact CB-CG 3.57Å; L40-R112 HydrophobicContact CD1-CG 4.02Å; L40-R112 HydrophobicContact CG-CG 4.47Å; Y41-R112 PolarHBondContact O-N 3.25Å; D42-R112 WeakPolarHBondContact OD1-CD 3.44Å; R112-A114 PolarHBondContact O-N 2.9Å
113	P	71.2	Confident	63.5	Low	103 Å²	103	86.2 Å²	86.2	67%	0.669	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-60	136.8	174	23.4	-30.7	0	0	0	109.7	G115	P113-G115 PolarHBondContact O-N 2.91Å; P113-G115 VanDerWaalsContact O-N 3.08Å
114	A	52.9	Low	61	Low	80 Å²	80	89.6 Å²	89.6	66%	0.661	51%	0.506	S	S	*	.	S	Bend	trans	-73.2	2.5	-172.3	0	0	0	0	0	114.6	R112	R112-A114 PolarHBondContact O-N 2.9Å
115	G	40.1	Very low	58.3	Low	67 Å²	67	96.1 Å²	96.1	69%	0.691	53%	0.526	S	S	*	.			trans	-129.7	106.9	176.9	0	0	0	0	0	109.6	P113	P113-G115 PolarHBondContact O-N 2.91Å; P113-G115 VanDerWaalsContact O-N 3.08Å
116	G	39.7	Very low	55.7	Low	63 Å²	63	96 Å²	96	65%	0.649	54%	0.535	S	S	*	.			trans	-172.1	61.6	-179.4	0	0	0	0	0	110.8	G118	G116-G118 PolarHBondContact O-N 3.49Å; G116-G118 VanDerWaalsContact O-N 3.1Å
117	Y	34.2	Very low	53.6	Low	252 Å²	252	105 Å²	105	99%	0.988	57%	0.569	S	S	*	*	S	Bend	trans	-55.5	108.3	149.4	-76.5	-94.4	0	0	0	106.6
118	G	33.7	Very low	51.3	Low	52 Å²	52	109.6 Å²	109.6	54%	0.536	60%	0.599	S	S	.	*	S	Bend	trans	116.5	124.2	175.1	0	0	0	0	0	113.6	G116	G116-G118 PolarHBondContact O-N 3.49Å; G116-G118 VanDerWaalsContact O-N 3.1Å
119	Y	35.3	Very low	48.9	Very low	235 Å²	235	113 Å²	113	92%	0.922	62%	0.615	S	S	*	*	S	Bend	trans	80.2	72.2	173.4	-54.2	-83.9	0	0	0	116.4
120	G	37.6	Very low	46.5	Very low	58 Å²	58	118.3 Å²	118.3	60%	0.598	64%	0.635	S	S	*	*			trans	158.7	-12.9	147.7	0	0	0	0	0	118.5	R122	G120-R122 VanDerWaalsContact C-N 3.35Å; G120-R122 PolarHBondContact O-N 3.44Å
121	Y	35.1	Very low	43.8	Very low	198 Å²	198	124.4 Å²	124.4	78%	0.776	67%	0.674	S	S	*	*			trans	-77	91	168.5	-125.2	-91.4	0	0	0	108.3	P123	Y121-P123 VanDerWaalsContact O-CD 3.3Å; Y121-P123 WeakPolarHBondContact O-CD 3.4Å
122	R	37.7	Very low	41.4	Very low	184 Å²	184	127 Å²	127	69%	0.694	70%	0.704	S	S	*	*			trans	-83.8	107.3	158.8	-101.7	-173.4	175.1	-158.5	-1.2	106.7	G120 G124 Y125	G120-R122 VanDerWaalsContact C-N 3.35Å; G120-R122 PolarHBondContact O-N 3.44Å; R122-G124 PolarHBondContact O-N 2.8Å; R122-Y125 HydrophobicContact CB-CD2 3.95Å; R122-Y125 HydrophobicContact CB-CE2 4.03Å
123	P	36.8	Very low	39.3	Very low	125 Å²	125	133.6 Å²	133.6	81%	0.812	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	112.3	169.6	26.9	-29.9	0	0	0	107	Y121	Y121-P123 VanDerWaalsContact O-CD 3.3Å; Y121-P123 WeakPolarHBondContact O-CD 3.4Å
124	G	38.3	Very low	37.7	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.4	-9.3	-177.8	0	0	0	0	0	116.6	R122	R122-G124 PolarHBondContact O-N 2.8Å
125	Y	31.2	Very low	37	Very low	176 Å²	176	138.7 Å²	138.7	69%	0.69	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-91.1	121.8	169.3	-73.8	-82.3	0	0	0	110.3	R122 R127	R122-Y125 HydrophobicContact CB-CD2 3.95Å; R122-Y125 HydrophobicContact CB-CE2 4.03Å; Y125-R127 PolarHBondContact O-N 3.01Å
126	P	34	Very low	36.8	Very low	112 Å²	112	142.5 Å²	142.5	73%	0.727	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-57.4	135.6	172	-15.5	27.2	0	0	0	108.8
127	R	46.2	Very low	36.7	Very low	205 Å²	205	146.9 Å²	146.9	77%	0.774	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-53.5	135.7	165.2	-68.9	-176.6	177.3	-167.5	0.2	107.5	Y125 I129	Y125-R127 PolarHBondContact O-N 3.01Å; R127-I129 PolarHBondContact O-N 3.15Å
128	P	41.2	Very low	36.8	Very low	96 Å²	96	140.7 Å²	140.7	62%	0.623	78%	0.778	S	S	*	*			trans	-57.3	108	167.1	-18.8	29.7	0	0	0	107.7	Y130	P128-Y130 HydrophobicContact CB-CD2 4.49Å; P128-Y130 HydrophobicContact CB-CE2 4.13Å; P128-Y130 WeakPolarHBondContact O-CD2 3.42Å; P128-Y130 PolarHBondContact O-N 3.43Å; P128-Y130 VanDerWaalsContact O-N 3.07Å
129	I	37.5	Very low	37	Very low	157 Å²	157	146.3 Å²	146.3	81%	0.805	79%	0.793	S	S	*	*			trans	-69.6	103.4	169.2	-60.1	175.1	0	0	0	104.5	R127 P131	R127-I129 PolarHBondContact O-N 3.15Å; I129-P131 WeakPolarHBondContact O-CD 3.4Å
130	Y	36.3	Very low	37.1	Very low	135 Å²	135	140.3 Å²	140.3	53%	0.529	78%	0.784	S	S	.	*			trans	-75.3	115.3	166.5	-73.8	-86.1	0	0	0	106.9	R61 P128 G132	R61-Y130 PolarHBondContact NH1-OH 3.31Å; P128-Y130 HydrophobicContact CB-CD2 4.49Å; P128-Y130 HydrophobicContact CB-CE2 4.13Å; P128-Y130 WeakPolarHBondContact O-CD2 3.42Å; P128-Y130 PolarHBondContact O-N 3.43Å; P128-Y130 VanDerWaalsContact O-N 3.07Å; Y130-G132 PolarHBondContact O-N 3.13Å; Y130-G132 VanDerWaalsContact O-N 3.14Å
131	P	33.6	Very low	37.1	Very low	128 Å²	128	146.2 Å²	146.2	83%	0.831	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	115.5	176	25.9	-25.7	0	0	0	107.5	I129	I129-P131 WeakPolarHBondContact O-CD 3.4Å
132	G	36.7	Very low	37.2	Very low	67 Å²	67	142.2 Å²	142.2	69%	0.691	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	145.1	4.3	176.1	0	0	0	0	0	117.3	Y130	Y130-G132 PolarHBondContact O-N 3.13Å; Y130-G132 VanDerWaalsContact O-N 3.14Å
133	W	35.9	Very low	37.2	Very low	241 Å²	241	138.8 Å²	138.8	91%	0.913	81%	0.808	S	S	*	*			trans	-133	86.2	171.7	-76.2	78	0	0	0	109.8
134	G	38.5	Very low	37.2	Very low	152 Å²	152	140 Å²	140	100%	1.567	81%	0.808	S	S	*	*			trans	-168.6	0	175.7	0	0	0	0	0	108.2

Retrieved 134 of 134 residues in 68 ms (Link to these results)

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