A0A077Z0U9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z0U9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 aa.

						>A0A077Z0U9_TRITR|A0A077Z0U9
MNLNASANIYLRVLVDVTTPRSDAKLTHFGSVFDDRLIDLSQNCHLHCRQFVHLFSQGAYAKHQRTTAFQSIVMIRAHAQCRRLPYQRLQLGGKQAATHIQCPILGFVKRNCLHHFGHQRNVFVHFGKQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	40.4	Very low	224 Å²	224	76.5 Å²	76.5	100%	1.103	43%	0.427	S	S	*	.				0	115.5	0	-69	174.2	-173.4	0	0	108.9	L3	M1-L3 PolarHBondContact O-N 3.29Å
2	N	31.6	Very low	40.7	Very low	130 Å²	130	77.9 Å²	77.9	70%	0.695	42%	0.421	S	S	*	.			trans	-77.2	96.1	172.2	-117.9	-9.3	0	0	0	107.3	N4	N2-N4 PolarHBondContact O-N 3.01Å; N2-N4 VanDerWaalsContact O-N 3.13Å
3	L	35.9	Very low	41.1	Very low	118 Å²	118	71.9 Å²	71.9	62%	0.618	39%	0.388	S	S	*	.			trans	-82.5	88.8	176.5	-73.5	160.9	0	0	0	107.9	M1 A5	M1-L3 PolarHBondContact O-N 3.29Å; L3-A5 PolarHBondContact O-N 3.18Å
4	N	38.5	Very low	41.4	Very low	114 Å²	114	68.3 Å²	68.3	61%	0.61	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	81.5	161.1	-82.7	-9.7	0	0	0	107.6	N2 S6	N2-N4 PolarHBondContact O-N 3.01Å; N2-N4 VanDerWaalsContact O-N 3.13Å; N4-S6 PolarHBondContact O-N 2.72Å
5	A	35.3	Very low	41.6	Very low	53 Å²	53	63.9 Å²	63.9	44%	0.438	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113	171	0	0	0	0	0	107.6	L3 A7	L3-A5 PolarHBondContact O-N 3.18Å; A5-A7 PolarHBondContact O-N 2.67Å
6	S	40.9	Very low	41.5	Very low	69 Å²	69	63.6 Å²	63.6	48%	0.483	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	123.7	154.4	173.7	0	0	0	0	107.3	N4 H78	N4-S6 PolarHBondContact O-N 2.72Å; S6-H78 WeakPolarHBondContact CB-NE2 3.23Å; S6-H78 PolarHBondContact OG-CD2 3.28Å; S6-H78 PolarHBondContact OG-CE1 3.46Å; S6-H78 PolarHBondContact OG-NE2 3.14Å
7	A	43.4	Very low	41.5	Very low	31 Å²	31	62.5 Å²	62.5	26%	0.256	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.4	173	0	0	0	0	0	108.2	A5 I9	A5-A7 PolarHBondContact O-N 2.67Å; A7-I9 PolarHBondContact O-N 2.91Å
8	N	44.1	Very low	41.5	Very low	57 Å²	57	64.2 Å²	64.2	31%	0.305	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	101.6	159.8	-66.2	-45.8	0	0	0	106.3	Y10 R76	N8-Y10 HydrophobicContact CB-CE2 3.97Å; N8-R76 HydrophobicContact CB-CG 4.46Å; N8-R76 PolarHBondContact OD1-NE 3.11Å; N8-R76 PolarHBondContact OD1-NH2 3.13Å; N8-R76 VanDerWaalsContact OD1-NH2 3.09Å
9	I	46.1	Very low	41.5	Very low	5 Å²	5	66.3 Å²	66.3	3%	0.026	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.3	170.5	-66.2	169.6	0	0	0	106.9	A7 L11 I75 R76 A77 A79 C81 C102 I104 F126	A7-I9 PolarHBondContact O-N 2.91Å; I9-L11 HydrophobicContact CG2-CD1 3.7Å; I9-L11 HydrophobicContact CG2-CG 3.98Å; I9-I75 CarbonylContact C-O 3.59Å; I9-R76 WeakPolarHBondContact O-CA 3.33Å; I9-A77 PolarHBondContact N-O 3.18Å; I9-A77 VanDerWaalsContact N-O 3.15Å; I9-A77 PolarHBondContact O-N 3.25Å; I9-A77 VanDerWaalsContact O-N 3.13Å; I9-A79 HydrophobicContact CD1-CB 4.23Å; I9-C81 WeakPolarHBondContact CD1-SG 3.48Å; I9-C102 HydrophobicContact CD1-CB 3.62Å; I9-C102 WeakPolarHBondContact CD1-SG 3.49Å; I9-I104 HydrophobicContact CD1-CG2 3.64Å; I9-F126 HydrophobicContact CB-CE1 4.39Å; I9-F126 HydrophobicContact CD1-CE1 3.95Å; I9-F126 HydrophobicContact CG1-CD1 4.3Å; I9-F126 HydrophobicContact CG1-CE1 4.02Å; I9-F126 HydrophobicContact CG2-CD1 3.75Å; I9-F126 HydrophobicContact CG2-CE1 3.48Å; I9-F126 VanDerWaalsContact CG2-CE1 3.48Å; I9-F126 HydrophobicContact CG2-CZ 4.49Å
10	Y	47.6	Very low	41.1	Very low	40 Å²	40	68.9 Å²	68.9	16%	0.157	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113	161.1	-60.7	-93.4	0	0	0	107	N8 L37 I75 Q129	N8-Y10 HydrophobicContact CB-CE2 3.97Å; Y10-L37 HydrophobicContact CE1-CD2 3.99Å; Y10-I75 VanDerWaalsContact CA-O 3.26Å; Y10-I75 WeakPolarHBondContact CA-O 3.25Å; Y10-Q129 HydrophobicContact CE2-CG 4.16Å; Y10-Q129 PolarHBondContact OH-OE1 2.97Å
11	L	49.2	Very low	40.7	Very low	1 Å²	1	77.3 Å²	77.3	1%	0.005	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.5	166.5	-71.9	105	0	0	0	108.4	I9 V13 V73 M74 I75 L105 V108 V124	I9-L11 HydrophobicContact CG2-CD1 3.7Å; I9-L11 HydrophobicContact CG2-CG 3.98Å; L11-V13 HydrophobicContact CB-CG2 4.46Å; L11-V73 CarbonylContact O-C 3.6Å; L11-M74 WeakPolarHBondContact O-CA 3.41Å; L11-I75 HydrophobicContact CB-CB 4.09Å; L11-I75 HydrophobicContact CB-CD1 4.05Å; L11-I75 HydrophobicContact CB-CG1 4.2Å; L11-I75 HydrophobicContact CD1-CB 3.88Å; L11-I75 HydrophobicContact CD1-CD1 4.1Å; L11-I75 HydrophobicContact CD1-CG2 4.06Å; L11-I75 HydrophobicContact CG-CD1 4.5Å; L11-I75 PolarHBondContact N-O 3.42Å; L11-I75 PolarHBondContact O-N 3.36Å; L11-L105 HydrophobicContact CD2-CD2 4.35Å; L11-V108 HydrophobicContact CD2-CB 4.48Å; L11-V108 HydrophobicContact CD2-CG1 4.25Å; L11-V108 HydrophobicContact CD2-CG2 4.38Å; L11-V124 HydrophobicContact CB-CG1 4.27Å; L11-V124 HydrophobicContact CD2-CB 4.35Å; L11-V124 HydrophobicContact CD2-CG1 3.43Å; L11-V124 VanDerWaalsContact CD2-CG1 3.43Å; L11-V124 HydrophobicContact CD2-CG2 3.95Å; L11-V124 HydrophobicContact CG-CG1 3.83Å
12	R	44.1	Very low	41	Very low	93 Å²	93	72.2 Å²	72.2	35%	0.351	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.3	161.3	174	176	-174	-175.8	2	106.8	I72 F123 V124 H125	R12-I72 HydrophobicContact CG-CG1 4.38Å; R12-I72 HydrophobicContact CG-CG2 4.19Å; R12-F123 CarbonylContact O-C 3.54Å; R12-V124 WeakPolarHBondContact O-CA 3.48Å; R12-H125 HydrophobicContact CB-CB 4.13Å; R12-H125 PolarHBondContact O-N 3.05Å
13	V	46.7	Very low	41	Very low	0 Å²	0	73.8 Å²	73.8	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	100.7	-178.7	175.3	0	0	0	0	109.7	L11 V15 F51 F55 L113 V122	L11-V13 HydrophobicContact CB-CG2 4.46Å; V13-V15 HydrophobicContact CG1-CG2 3.89Å; V13-F51 HydrophobicContact CB-CZ 4.48Å; V13-F51 HydrophobicContact CG2-CZ 4.08Å; V13-F55 HydrophobicContact CG1-CE2 4.11Å; V13-L113 HydrophobicContact CG1-CD2 3.92Å; V13-V122 HydrophobicContact CG1-CG1 3.82Å
14	L	44.9	Very low	40.9	Very low	21 Å²	21	71.8 Å²	71.8	11%	0.11	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.7	169.5	-60.9	173	0	0	0	108.4	Q70 V122 F123	L14-Q70 HydrophobicContact CD2-CB 3.86Å; L14-Q70 HydrophobicContact CD2-CG 3.95Å; L14-V122 WeakPolarHBondContact O-CA 2.98Å; L14-F123 HydrophobicContact CB-CB 4.28Å; L14-F123 HydrophobicContact CB-CD2 4.11Å; L14-F123 HydrophobicContact CD1-CB 4.12Å; L14-F123 HydrophobicContact CD1-CD2 4.35Å; L14-F123 HydrophobicContact CD1-CG 4.48Å; L14-F123 HydrophobicContact CG-CB 4.49Å; L14-F123 PolarHBondContact N-O 3.13Å
15	V	43.8	Very low	40.5	Very low	3 Å²	3	76 Å²	76	2%	0.018	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	113.1	174.1	179.3	0	0	0	0	108.5	V13 V17 F55 H118 V122	V13-V15 HydrophobicContact CG1-CG2 3.89Å; V15-V17 HydrophobicContact CG1-CG2 3.95Å; V15-F55 HydrophobicContact CB-CE2 4.47Å; V15-F55 HydrophobicContact CB-CZ 3.67Å; V15-F55 HydrophobicContact CG1-CZ 4.35Å; V15-F55 HydrophobicContact CG2-CE1 4.14Å; V15-F55 HydrophobicContact CG2-CE2 3.69Å; V15-F55 HydrophobicContact CG2-CZ 3.21Å; V15-H118 HydrophobicContact CG1-CB 4.44Å; V15-V122 HydrophobicContact CG2-CG2 4.46Å
16	D	41	Very low	40.5	Very low	59 Å²	59	76.8 Å²	76.8	32%	0.316	42%	0.417	S	S	.	.			trans	-85.4	110.4	175.2	-175.4	20.4	0	0	0	110.2	N121	D16-N121 HydrophobicContact CB-CB 3.8Å; D16-N121 PolarHBondContact O-ND2 3.26Å
17	V	41.6	Very low	39.9	Very low	44 Å²	44	79.2 Å²	79.2	27%	0.267	43%	0.429	S	S	.	.			trans	-103.6	108.9	178.7	-177.2	0	0	0	0	108.8	V15	V15-V17 HydrophobicContact CG1-CG2 3.95Å
18	T	40.2	Very low	39.4	Very low	94 Å²	94	85.5 Å²	85.5	58%	0.577	45%	0.453	S	S	*	.			trans	-108.4	82	177.2	34.1	0	0	0	0	110.5
19	T	42.7	Very low	38.8	Very low	104 Å²	104	85 Å²	85	64%	0.638	45%	0.448	S	S	*	.			trans	-152.3	135.3	171.9	33.7	0	0	0	0	112.9
20	P	32.8	Very low	38	Very low	118 Å²	118	87.3 Å²	87.3	77%	0.766	47%	0.473	S	S	*	.			trans	-100.8	153.1	-169.7	38.3	-32.1	0	0	0	115
21	R	32.2	Very low	37.4	Very low	246 Å²	246	90 Å²	90	93%	0.928	50%	0.498	S	S	*	.			trans	71.7	107.7	160.3	-68.2	-178.2	169.9	-172.9	-3.1	119.6
22	S	38.3	Very low	36.8	Very low	117 Å²	117	93.7 Å²	93.7	82%	0.818	52%	0.52	S	S	*	.				176.4	137.2	118.6	58.8	0	0	0	0	111.2
23	D	31.6	Very low	36.6	Very low	163 Å²	163	90.5 Å²	90.5	87%	0.872	51%	0.509	S	S	*	.			trans	-38.3	129.4	-179.9	-56.4	-69	0	0	0	117.2
24	A	33.5	Very low	36.2	Very low	76 Å²	76	96 Å²	96	63%	0.628	54%	0.538	S	S	*	.			trans	161.9	115.8	133.7	0	0	0	0	0	113.5
25	K	31.4	Very low	35.9	Very low	203 Å²	203	102.5 Å²	102.5	88%	0.883	57%	0.573	S	S	*	*			trans	46.9	70.4	138.2	-59.7	-176.8	177.1	180	0	119.7
26	L	33.8	Very low	35.6	Very low	69 Å²	69	111.1 Å²	111.1	36%	0.361	61%	0.605	S	S	.	*			trans	-137.9	90.9	172.7	-83.4	149.9	0	0	0	112.7	Y60	L26-Y60 WeakPolarHBondContact CB-O 3.33Å; L26-Y60 HydrophobicContact CD1-CD1 3.17Å; L26-Y60 HydrophobicContact CD1-CE1 3.79Å; L26-Y60 HydrophobicContact CD1-CG 3.82Å; L26-Y60 WeakPolarHBondContact CD1-O 3.38Å; L26-Y60 HydrophobicContact CD2-CD1 4.16Å; L26-Y60 HydrophobicContact CG-CD1 4.25Å; L26-Y60 WeakPolarHBondContact CG-O 3.38Å
27	T	29	Very low	35.6	Very low	120 Å²	120	112.8 Å²	112.8	74%	0.736	61%	0.614	S	S	*	*			trans	-90.1	148.2	174.9	4.9	0	0	0	0	110.7
28	H	33.3	Very low	35.7	Very low	162 Å²	162	111.7 Å²	111.7	75%	0.75	61%	0.606	S	S	*	*			trans	72	92	171.1	-77.4	-83.7	0	0	0	119
29	F	32	Very low	35.9	Very low	47 Å²	47	110.5 Å²	110.5	21%	0.206	60%	0.596	C	S	.	*			trans	-144.5	82.6	153.8	-120.7	-92.4	0	0	0	112.4	V32 F33 G58 A61 K62	F29-V32 HydrophobicContact CE1-CB 4.43Å; F29-V32 HydrophobicContact CZ-CB 4.29Å; F29-V32 HydrophobicContact CZ-CG1 4.47Å; F29-F33 AromaticContact CE1-CD2 3.8Å; F29-F33 HydrophobicContact CE1-CD2 3.8Å; F29-F33 AromaticContact CE1-CE2 3.39Å; F29-F33 HydrophobicContact CE1-CE2 3.39Å; F29-F33 HydrophobicContact CE1-CZ 4.29Å; F29-F33 HydrophobicContact CZ-CD2 4.48Å; F29-F33 AromaticContact CZ-CE2 3.8Å; F29-F33 HydrophobicContact CZ-CE2 3.8Å; F29-F33 HydrophobicContact CZ-CZ 4.26Å; F29-G58 VanDerWaalsContact CE2-CA 3.41Å; F29-A61 HydrophobicContact CB-CB 3.88Å; F29-A61 HydrophobicContact CD2-CB 3.17Å; F29-A61 HydrophobicContact CE2-CB 3.98Å; F29-A61 HydrophobicContact CG-CB 3.82Å; F29-K62 WeakPolarHBondContact O-CE 3.39Å; F29-K62 PolarHBondContact O-NZ 2.94Å
30	G	29.5	Very low	36.2	Very low	53 Å²	53	106.2 Å²	106.2	55%	0.546	57%	0.569	S	S	.	*	S	Bend	trans	-153.2	126.6	161.8	0	0	0	0	0	105.6
31	S	34.3	Very low	36.7	Very low	97 Å²	97	103 Å²	103	68%	0.678	55%	0.55	S	S	*	.	S	Bend	trans	91.2	-5.6	-177.8	94.4	0	0	0	0	121.1	F33	S31-F33 VanDerWaalsContact C-N 3.31Å; S31-F33 PolarHBondContact O-N 2.95Å
32	V	35.9	Very low	37.3	Very low	78 Å²	78	98.3 Å²	98.3	47%	0.473	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.9	-175.3	-178.6	0	0	0	0	114.7	F29	F29-V32 HydrophobicContact CE1-CB 4.43Å; F29-V32 HydrophobicContact CZ-CB 4.29Å; F29-V32 HydrophobicContact CZ-CG1 4.47Å
33	F	39.4	Very low	37.7	Very low	26 Å²	26	98 Å²	98	11%	0.114	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	2.1	-178.3	-70.3	-62.3	0	0	0	115.2	F29 S31 D35 I72 V73 M74	F29-F33 AromaticContact CE1-CD2 3.8Å; F29-F33 HydrophobicContact CE1-CD2 3.8Å; F29-F33 AromaticContact CE1-CE2 3.39Å; F29-F33 HydrophobicContact CE1-CE2 3.39Å; F29-F33 HydrophobicContact CE1-CZ 4.29Å; F29-F33 HydrophobicContact CZ-CD2 4.48Å; F29-F33 AromaticContact CZ-CE2 3.8Å; F29-F33 HydrophobicContact CZ-CE2 3.8Å; F29-F33 HydrophobicContact CZ-CZ 4.26Å; S31-F33 VanDerWaalsContact C-N 3.31Å; S31-F33 PolarHBondContact O-N 2.95Å; F33-D35 PolarHBondContact O-N 3.49Å; F33-D35 VanDerWaalsContact O-N 3.13Å; F33-I72 WeakPolarHBondContact CD2-O 3.47Å; F33-V73 HydrophobicContact CE2-CG2 4.2Å; F33-V73 HydrophobicContact CZ-CG2 4.27Å; F33-M74 WeakPolarHBondContact O-CE 3.32Å
34	D	38.7	Very low	38.2	Very low	116 Å²	116	91.6 Å²	91.6	62%	0.62	50%	0.495	S	S	*	.	S	Bend	trans	-65.8	-15.2	-177.7	-83.5	-36.8	0	0	0	113.8
35	D	39.3	Very low	38.7	Very low	157 Å²	157	94.8 Å²	94.8	84%	0.84	50%	0.497	S	S	*	.	S	Bend	trans	-134.6	2.2	-178.6	-69.4	-51.1	0	0	0	116.1	F33 L37	F33-D35 PolarHBondContact O-N 3.49Å; F33-D35 VanDerWaalsContact O-N 3.13Å; D35-L37 PolarHBondContact O-N 3.09Å
36	R	36.7	Very low	39.3	Very low	185 Å²	185	90.6 Å²	90.6	70%	0.698	48%	0.484	S	S	*	.			trans	-101.6	84.5	179.2	-66.8	-168.1	-176.2	-168.6	3	111.3	I38	R36-I38 PolarHBondContact O-N 3.21Å; R36-I38 VanDerWaalsContact O-N 3.15Å
37	L	41.3	Very low	40.2	Very low	94 Å²	94	89.1 Å²	89.1	49%	0.492	48%	0.475	S	S	.	.			trans	-63.5	107.8	165.7	-75.3	160.8	0	0	0	109.4	Y10 D35 D39 R76	Y10-L37 HydrophobicContact CE1-CD2 3.99Å; D35-L37 PolarHBondContact O-N 3.09Å; L37-D39 PolarHBondContact O-N 2.88Å; L37-R76 HydrophobicContact CD2-CB 3.63Å; L37-R76 HydrophobicContact CD2-CG 4.29Å
38	I	43.3	Very low	41.2	Very low	21 Å²	21	83.9 Å²	83.9	11%	0.108	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	106.7	164.5	-57.6	173.7	0	0	0	106.1	R36 L40 H47 L54 V73 R76	R36-I38 PolarHBondContact O-N 3.21Å; R36-I38 VanDerWaalsContact O-N 3.15Å; I38-L40 HydrophobicContact CG2-CD2 3.9Å; I38-L40 HydrophobicContact CG2-CG 4.48Å; I38-L40 PolarHBondContact O-N 2.06Å; I38-H47 HydrophobicContact CG2-CB 4.35Å; I38-L54 HydrophobicContact CD1-CD1 3.63Å; I38-L54 HydrophobicContact CG1-CD1 4.39Å; I38-V73 HydrophobicContact CD1-CG1 4.33Å; I38-R76 CarbonylContact O-C 3.49Å; I38-R76 WeakPolarHBondContact O-CA 3.29Å; I38-R76 PolarHBondContact O-N 2.81Å
39	D	45.1	Very low	42.1	Very low	68 Å²	68	86.2 Å²	86.2	36%	0.364	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	111	173.8	-168.5	4.6	0	0	0	110.2	L37 S41 R76	L37-D39 PolarHBondContact O-N 2.88Å; D39-S41 VanDerWaalsContact C-N 3.28Å; D39-S41 WeakPolarHBondContact OD1-CA 3.13Å; D39-S41 WeakPolarHBondContact OD1-CB 3.41Å; D39-S41 PolarHBondContact OD1-N 2.99Å; D39-S41 PolarHBondContact OD1-OG 3.11Å; D39-S41 PolarHBondContact OD2-OG 3.04Å; D39-R76 WeakPolarHBondContact CA-O 3.11Å
40	L	48.9	Very low	43.1	Very low	14 Å²	14	88.5 Å²	88.5	7%	0.073	46%	0.456	C	S	.	.			trans	-87.6	6.7	172.4	-60.1	-171.8	0	0	0	113	I38 Q42 H47 I75 R76 A77 I104	I38-L40 HydrophobicContact CG2-CD2 3.9Å; I38-L40 HydrophobicContact CG2-CG 4.48Å; I38-L40 PolarHBondContact O-N 2.06Å; L40-Q42 PolarHBondContact O-N 3.44Å; L40-H47 HydrophobicContact CD2-CB 3.09Å; L40-I75 HydrophobicContact CD1-CG2 3.11Å; L40-I75 HydrophobicContact CD2-CG2 4.45Å; L40-I75 HydrophobicContact CG-CG2 3.49Å; L40-I75 VanDerWaalsContact CG-CG2 3.49Å; L40-R76 PolarHBondContact N-O 3.32Å; L40-A77 HydrophobicContact CB-CB 3.91Å; L40-A77 HydrophobicContact CD1-CB 4.48Å; L40-I104 HydrophobicContact CB-CD1 4Å; L40-I104 HydrophobicContact CD1-CD1 3.55Å; L40-I104 HydrophobicContact CD1-CG1 4.37Å; L40-I104 HydrophobicContact CG-CD1 4.41Å
41	S	44	Very low	44.2	Very low	51 Å²	51	86.2 Å²	86.2	36%	0.357	43%	0.431	S	S	.	.	S	Bend	trans	-62.3	-26.1	-178.6	71.2	0	0	0	0	113.1	D39	D39-S41 VanDerWaalsContact C-N 3.28Å; D39-S41 WeakPolarHBondContact OD1-CA 3.13Å; D39-S41 WeakPolarHBondContact OD1-CB 3.41Å; D39-S41 PolarHBondContact OD1-N 2.99Å; D39-S41 PolarHBondContact OD1-OG 3.11Å; D39-S41 PolarHBondContact OD2-OG 3.04Å
42	Q	43.7	Very low	45.1	Very low	147 Å²	147	82.8 Å²	82.8	69%	0.687	41%	0.406	S	S	*	.	S	Bend	trans	-126.1	131.4	177	-62	-177.1	-2.9	0	0	108	L40 H47	L40-Q42 PolarHBondContact O-N 3.44Å; Q42-H47 PolarHBondContact O-CD2 3.04Å; Q42-H47 PolarHBondContact O-NE2 3.41Å
43	N	48	Very low	46	Very low	112 Å²	112	84.1 Å²	84.1	60%	0.599	41%	0.407	S	S	*	.			trans	59.7	47.7	174.9	-57.4	-35.9	0	0	0	117.2	H45 L46 H47	N43-H45 PolarHBondContact O-N 2.8Å; N43-L46 HydrophobicContact CB-CB 4.15Å; N43-L46 HydrophobicContact CB-CD1 4.46Å; N43-L46 PolarHBondContact O-N 2.98Å; N43-H47 PolarHBondContact O-CD2 2.93Å; N43-H47 PolarHBondContact O-N 3.31Å
44	C	42.3	Very low	46.5	Very low	28 Å²	28	85.3 Å²	85.3	19%	0.189	42%	0.415	C	S	.	.	H	α-helix	trans	-45.9	-31.1	178.3	-162.4	0	0	0	0	115	C48 F107	C44-C48 PolarHBondContact O-N 3.43Å; C44-F107 HydrophobicContact CB-CE1 4.41Å; C44-F107 WeakPolarHBondContact O-CE1 3.33Å; C44-F107 VanDerWaalsContact O-CZ 3.31Å; C44-F107 WeakPolarHBondContact O-CZ 3.49Å; C44-F107 WeakPolarHBondContact SG-CD1 3.26Å; C44-F107 WeakPolarHBondContact SG-CE1 3.14Å
45	H	43.3	Very low	47.1	Very low	142 Å²	142	80 Å²	80	66%	0.657	39%	0.386	S	S	*	.	H	α-helix	trans	-67.6	-44.9	173.4	-67.6	-89.8	0	0	0	114.5	N43 H47 C48 F107	N43-H45 PolarHBondContact O-N 2.8Å; H45-H47 VanDerWaalsContact C-N 3.3Å; H45-H47 PolarHBondContact O-N 3.47Å; H45-C48 PolarHBondContact O-N 3.29Å; H45-F107 AromaticContact CE1-CE2 3.57Å; H45-F107 AromaticContact CG-CE2 3.99Å; H45-F107 AromaticContact ND1-CE2 3.56Å; H45-F107 AromaticContact NE2-CE2 3.96Å
46	L	43.3	Very low	47.6	Very low	116 Å²	116	75.3 Å²	75.3	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-64.8	-39.2	179	-109.4	100.4	0	0	0	111.1	N43 C48 R49 Q50	N43-L46 HydrophobicContact CB-CB 4.15Å; N43-L46 HydrophobicContact CB-CD1 4.46Å; N43-L46 PolarHBondContact O-N 2.98Å; L46-C48 VanDerWaalsContact C-N 3.3Å; L46-C48 PolarHBondContact O-N 2.9Å; L46-R49 PolarHBondContact O-N 2.83Å; L46-Q50 PolarHBondContact O-N 2.94Å
47	H	53.5	Low	48.1	Very low	38 Å²	38	71.7 Å²	71.7	18%	0.176	36%	0.356	C	S	.	.	H	α-helix	trans	-77.6	-15.7	-177.7	-62.6	-64.1	0	0	0	113.2	I38 L40 Q42 N43 H45 Q50 F51	I38-H47 HydrophobicContact CG2-CB 4.35Å; L40-H47 HydrophobicContact CD2-CB 3.09Å; Q42-H47 PolarHBondContact O-CD2 3.04Å; Q42-H47 PolarHBondContact O-NE2 3.41Å; N43-H47 PolarHBondContact O-CD2 2.93Å; N43-H47 PolarHBondContact O-N 3.31Å; H45-H47 VanDerWaalsContact C-N 3.3Å; H45-H47 PolarHBondContact O-N 3.47Å; H47-Q50 PolarHBondContact ND1-OE1 2.81Å; H47-Q50 PolarHBondContact O-N 2.97Å; H47-F51 WeakPolarHBondContact O-CB 3.18Å; H47-F51 PolarHBondContact O-N 3.34Å
48	C	49	Very low	48.1	Very low	9 Å²	9	67.2 Å²	67.2	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-67.7	-38.5	170.6	-169.5	0	0	0	0	111.4	C44 H45 L46 F51 V52 F107 C112	C44-C48 PolarHBondContact O-N 3.43Å; H45-C48 PolarHBondContact O-N 3.29Å; L46-C48 VanDerWaalsContact C-N 3.3Å; L46-C48 PolarHBondContact O-N 2.9Å; C48-F51 PolarHBondContact O-N 3.37Å; C48-V52 WeakPolarHBondContact O-CB 3.22Å; C48-V52 VanDerWaalsContact O-CG2 3.26Å; C48-V52 WeakPolarHBondContact O-CG2 3.27Å; C48-V52 PolarHBondContact O-N 3.22Å; C48-F107 HydrophobicContact CB-CE1 3.88Å; C48-F107 HydrophobicContact CB-CZ 3.95Å; C48-C112 WeakPolarHBondContact CB-SG 3.08Å; C48-C112 WeakPolarHBondContact SG-CA 3.21Å; C48-C112 WeakPolarHBondContact SG-CB 3.27Å; C48-C112 PolarHBondContact SG-N 2.91Å; C48-C112 VanDerWaalsContact SG-N 3.37Å; C48-C112 CovalentContact SG-SG 2.05Å; C48-C112 PolarHBondContact SG-SG 3.5Å
49	R	51.8	Low	48.1	Very low	212 Å²	212	67.6 Å²	67.6	80%	0.8	34%	0.339	S	S	*	.	H	α-helix	trans	-66	-41.2	174	-167.5	177.3	-171.3	174.2	2.7	111.2	L46 V52 H53	L46-R49 PolarHBondContact O-N 2.83Å; R49-V52 PolarHBondContact O-N 3.24Å; R49-H53 WeakPolarHBondContact O-CB 3.22Å; R49-H53 PolarHBondContact O-N 3.14Å
50	Q	53.2	Low	47.8	Very low	95 Å²	95	72.5 Å²	72.5	44%	0.444	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-40.6	173.3	-67.7	179.5	-26.3	0	0	111.7	L46 H47 H53 L54	L46-Q50 PolarHBondContact O-N 2.94Å; H47-Q50 PolarHBondContact ND1-OE1 2.81Å; H47-Q50 PolarHBondContact O-N 2.97Å; Q50-H53 PolarHBondContact O-N 3.3Å; Q50-L54 VanDerWaalsContact O-CB 3.25Å; Q50-L54 WeakPolarHBondContact O-CB 3.29Å; Q50-L54 WeakPolarHBondContact O-CG 3.44Å; Q50-L54 PolarHBondContact O-N 3.34Å
51	F	53.1	Low	47.4	Very low	4 Å²	4	72.2 Å²	72.2	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-47.8	175.4	172.8	-90.6	0	0	0	111.1	V13 H47 C48 H53 L54 F55 V73 I75 C112 F116	V13-F51 HydrophobicContact CB-CZ 4.48Å; V13-F51 HydrophobicContact CG2-CZ 4.08Å; H47-F51 WeakPolarHBondContact O-CB 3.18Å; H47-F51 PolarHBondContact O-N 3.34Å; C48-F51 PolarHBondContact O-N 3.37Å; F51-H53 VanDerWaalsContact C-N 3.32Å; F51-H53 PolarHBondContact O-N 3.1Å; F51-L54 PolarHBondContact O-N 3.46Å; F51-F55 HydrophobicContact CZ-CD2 4.31Å; F51-F55 WeakPolarHBondContact O-CB 3.4Å; F51-F55 PolarHBondContact O-N 2.91Å; F51-V73 HydrophobicContact CD2-CB 4.4Å; F51-V73 HydrophobicContact CD2-CG1 3.62Å; F51-V73 HydrophobicContact CE2-CB 3.64Å; F51-V73 HydrophobicContact CE2-CG1 3.33Å; F51-V73 HydrophobicContact CE2-CG2 4.17Å; F51-V73 HydrophobicContact CZ-CB 4.39Å; F51-V73 HydrophobicContact CZ-CG1 4.46Å; F51-I75 HydrophobicContact CD2-CD1 3.49Å; F51-I75 VanDerWaalsContact CD2-CD1 3.49Å; F51-I75 HydrophobicContact CD2-CG1 3.75Å; F51-I75 HydrophobicContact CE2-CD1 3.25Å; F51-I75 HydrophobicContact CE2-CG1 3.61Å; F51-I75 HydrophobicContact CG-CD1 4.37Å; F51-I75 HydrophobicContact CZ-CD1 3.97Å; F51-C112 HydrophobicContact CD1-CB 3.71Å; F51-C112 HydrophobicContact CE1-CB 3.94Å; F51-F116 HydrophobicContact CE1-CE2 4.09Å
52	V	53.1	Low	47.2	Very low	26 Å²	26	75.3 Å²	75.3	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-42.9	177.1	171.4	0	0	0	0	110.2	C48 R49 F55 S56 C112 H115 F116	C48-V52 WeakPolarHBondContact O-CB 3.22Å; C48-V52 VanDerWaalsContact O-CG2 3.26Å; C48-V52 WeakPolarHBondContact O-CG2 3.27Å; C48-V52 PolarHBondContact O-N 3.22Å; R49-V52 PolarHBondContact O-N 3.24Å; V52-F55 PolarHBondContact O-N 3.31Å; V52-S56 VanDerWaalsContact O-CB 3.27Å; V52-S56 WeakPolarHBondContact O-CB 3.24Å; V52-S56 PolarHBondContact O-N 2.88Å; V52-S56 PolarHBondContact O-OG 3.32Å; V52-C112 HydrophobicContact CG2-CB 4.37Å; V52-H115 HydrophobicContact CG1-CB 4.17Å; V52-H115 HydrophobicContact CG2-CB 4.18Å; V52-F116 HydrophobicContact CB-CZ 4.31Å; V52-F116 HydrophobicContact CG1-CZ 4.07Å; V52-F116 HydrophobicContact CG2-CE2 4.16Å; V52-F116 HydrophobicContact CG2-CZ 4.26Å
53	H	55.7	Low	47.2	Very low	106 Å²	106	74.5 Å²	74.5	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-48	176.5	-176.6	-88.7	0	0	0	112.4	R49 Q50 F51 S56 Q57	R49-H53 WeakPolarHBondContact O-CB 3.22Å; R49-H53 PolarHBondContact O-N 3.14Å; Q50-H53 PolarHBondContact O-N 3.3Å; F51-H53 VanDerWaalsContact C-N 3.32Å; F51-H53 PolarHBondContact O-N 3.1Å; H53-S56 PolarHBondContact O-N 3.09Å; H53-Q57 PolarHBondContact CE1-NE2 2.96Å; H53-Q57 WeakPolarHBondContact O-CB 3.2Å; H53-Q57 VanDerWaalsContact O-CG 3.27Å; H53-Q57 WeakPolarHBondContact O-CG 3.19Å; H53-Q57 PolarHBondContact O-N 3.15Å
54	L	50.1	Low	46.7	Very low	51 Å²	51	78 Å²	78	27%	0.267	37%	0.369	S	S	.	.	H	α-helix	trans	-65.9	-39.2	178.4	-72.7	169.2	0	0	0	111.9	I38 Q50 F51 Q57 G58	I38-L54 HydrophobicContact CD1-CD1 3.63Å; I38-L54 HydrophobicContact CG1-CD1 4.39Å; Q50-L54 VanDerWaalsContact O-CB 3.25Å; Q50-L54 WeakPolarHBondContact O-CB 3.29Å; Q50-L54 WeakPolarHBondContact O-CG 3.44Å; Q50-L54 PolarHBondContact O-N 3.34Å; F51-L54 PolarHBondContact O-N 3.46Å; L54-Q57 PolarHBondContact O-N 3.05Å; L54-G58 PolarHBondContact O-N 2.67Å
55	F	51	Low	46.8	Very low	5 Å²	5	88.6 Å²	88.6	2%	0.022	41%	0.405	C	S	.	.	H	α-helix	trans	-67.1	-44.6	174.9	-175.1	-72.5	0	0	0	110.7	V13 V15 F51 V52 Q57 G58 A59 V73 F116	V13-F55 HydrophobicContact CG1-CE2 4.11Å; V15-F55 HydrophobicContact CB-CE2 4.47Å; V15-F55 HydrophobicContact CB-CZ 3.67Å; V15-F55 HydrophobicContact CG1-CZ 4.35Å; V15-F55 HydrophobicContact CG2-CE1 4.14Å; V15-F55 HydrophobicContact CG2-CE2 3.69Å; V15-F55 HydrophobicContact CG2-CZ 3.21Å; F51-F55 HydrophobicContact CZ-CD2 4.31Å; F51-F55 WeakPolarHBondContact O-CB 3.4Å; F51-F55 PolarHBondContact O-N 2.91Å; V52-F55 PolarHBondContact O-N 3.31Å; F55-Q57 VanDerWaalsContact C-N 3.32Å; F55-Q57 PolarHBondContact O-N 3.44Å; F55-G58 PolarHBondContact O-N 2.71Å; F55-A59 HydrophobicContact CD1-CB 4.14Å; F55-A59 HydrophobicContact CE1-CB 3.84Å; F55-A59 WeakPolarHBondContact O-CB 3.1Å; F55-A59 PolarHBondContact O-N 3.47Å; F55-V73 HydrophobicContact CB-CG2 4.39Å; F55-V73 HydrophobicContact CD2-CG2 3.72Å; F55-F116 HydrophobicContact CB-CE1 4.28Å; F55-F116 HydrophobicContact CB-CE2 4.29Å; F55-F116 HydrophobicContact CB-CZ 3.61Å; F55-F116 AromaticContact CD1-CD1 3.7Å; F55-F116 HydrophobicContact CD1-CD1 3.7Å; F55-F116 HydrophobicContact CD1-CD2 4.46Å; F55-F116 AromaticContact CD1-CE1 3.03Å; F55-F116 HydrophobicContact CD1-CE1 3.03Å; F55-F116 AromaticContact CD1-CE2 3.89Å; F55-F116 HydrophobicContact CD1-CE2 3.89Å; F55-F116 HydrophobicContact CD1-CG 4.41Å; F55-F116 AromaticContact CD1-CZ 3.15Å; F55-F116 HydrophobicContact CD1-CZ 3.15Å; F55-F116 HydrophobicContact CD2-CZ 4.45Å; F55-F116 AromaticContact CE1-CD1 3.72Å; F55-F116 HydrophobicContact CE1-CD1 3.72Å; F55-F116 AromaticContact CE1-CE1 3.56Å; F55-F116 HydrophobicContact CE1-CE1 3.56Å; F55-F116 HydrophobicContact CE1-CE2 4.45Å; F55-F116 HydrophobicContact CE1-CG 4.31Å; F55-F116 AromaticContact CE1-CZ 3.96Å; F55-F116 HydrophobicContact CE1-CZ 3.96Å; F55-F116 AromaticContact CG-CE1 3.87Å; F55-F116 HydrophobicContact CG-CE1 3.87Å; F55-F116 AromaticContact CG-CE2 3.98Å; F55-F116 HydrophobicContact CG-CE2 3.98Å; F55-F116 AromaticContact CG-CZ 3.46Å; F55-F116 HydrophobicContact CG-CZ 3.46Å; F55-F116 VanDerWaalsContact CG-CZ 3.46Å
56	S	49.2	Very low	46.7	Very low	57 Å²	57	86.8 Å²	86.8	40%	0.399	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-38.8	176.2	-67.1	0	0	0	0	112	V52 H53 Y60	V52-S56 VanDerWaalsContact O-CB 3.27Å; V52-S56 WeakPolarHBondContact O-CB 3.24Å; V52-S56 PolarHBondContact O-N 2.88Å; V52-S56 PolarHBondContact O-OG 3.32Å; H53-S56 PolarHBondContact O-N 3.09Å; S56-Y60 PolarHBondContact O-N 3.46Å
57	Q	47	Very low	46.7	Very low	109 Å²	109	87.3 Å²	87.3	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-38	173.6	-75.2	-174.9	-23.5	0	0	112.4	H53 L54 F55	H53-Q57 PolarHBondContact CE1-NE2 2.96Å; H53-Q57 WeakPolarHBondContact O-CB 3.2Å; H53-Q57 VanDerWaalsContact O-CG 3.27Å; H53-Q57 WeakPolarHBondContact O-CG 3.19Å; H53-Q57 PolarHBondContact O-N 3.15Å; L54-Q57 PolarHBondContact O-N 3.05Å; F55-Q57 VanDerWaalsContact C-N 3.32Å; F55-Q57 PolarHBondContact O-N 3.44Å
58	G	42.5	Very low	46.1	Very low	0 Å²	0	88 Å²	88	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-79	-33.3	178.5	0	0	0	0	0	115	F29 L54 F55 Y60 A61 F69	F29-G58 VanDerWaalsContact CE2-CA 3.41Å; L54-G58 PolarHBondContact O-N 2.67Å; F55-G58 PolarHBondContact O-N 2.71Å; G58-Y60 VanDerWaalsContact C-N 3.29Å; G58-Y60 PolarHBondContact O-N 3.33Å; G58-A61 PolarHBondContact O-N 2.87Å; G58-A61 VanDerWaalsContact O-N 3.17Å; G58-F69 WeakPolarHBondContact O-CZ 3.32Å
59	A	42.3	Very low	45.7	Very low	30 Å²	30	88.5 Å²	88.5	25%	0.248	43%	0.426	C	S	.	.	H	α-helix	trans	-69.7	-28	177	0	0	0	0	0	112.8	F55 A61 F69	F55-A59 HydrophobicContact CD1-CB 4.14Å; F55-A59 HydrophobicContact CE1-CB 3.84Å; F55-A59 WeakPolarHBondContact O-CB 3.1Å; F55-A59 PolarHBondContact O-N 3.47Å; A59-A61 VanDerWaalsContact C-N 3.26Å; A59-A61 PolarHBondContact O-N 3.46Å; A59-F69 VanDerWaalsContact CA-CE1 3.45Å; A59-F69 HydrophobicContact CB-CD1 4.49Å; A59-F69 HydrophobicContact CB-CE1 3.9Å
60	Y	38.7	Very low	45.3	Very low	170 Å²	170	84 Å²	84	67%	0.667	41%	0.414	S	S	*	.	H	α-helix	trans	-66	-28.7	171.8	-116.9	-118.5	0	0	0	111.7	L26 S56 G58 K62	L26-Y60 WeakPolarHBondContact CB-O 3.33Å; L26-Y60 HydrophobicContact CD1-CD1 3.17Å; L26-Y60 HydrophobicContact CD1-CE1 3.79Å; L26-Y60 HydrophobicContact CD1-CG 3.82Å; L26-Y60 WeakPolarHBondContact CD1-O 3.38Å; L26-Y60 HydrophobicContact CD2-CD1 4.16Å; L26-Y60 HydrophobicContact CG-CD1 4.25Å; L26-Y60 WeakPolarHBondContact CG-O 3.38Å; S56-Y60 PolarHBondContact O-N 3.46Å; G58-Y60 VanDerWaalsContact C-N 3.29Å; G58-Y60 PolarHBondContact O-N 3.33Å; Y60-K62 PolarHBondContact O-N 2.05Å
61	A	40.4	Very low	44.9	Very low	8 Å²	8	79.6 Å²	79.6	7%	0.066	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	14.4	-159.6	0	0	0	0	0	118.8	F29 G58 A59	F29-A61 HydrophobicContact CB-CB 3.88Å; F29-A61 HydrophobicContact CD2-CB 3.17Å; F29-A61 HydrophobicContact CE2-CB 3.98Å; F29-A61 HydrophobicContact CG-CB 3.82Å; G58-A61 PolarHBondContact O-N 2.87Å; G58-A61 VanDerWaalsContact O-N 3.17Å; A59-A61 VanDerWaalsContact C-N 3.26Å; A59-A61 PolarHBondContact O-N 3.46Å
62	K	39.7	Very low	44.5	Very low	116 Å²	116	83 Å²	83	50%	0.504	41%	0.411	S	S	.	.			trans	-149.3	73.7	-174.5	-145.5	173.3	-173.6	165	0	113.4	F29 Y60 F69	F29-K62 WeakPolarHBondContact O-CE 3.39Å; F29-K62 PolarHBondContact O-NZ 2.94Å; Y60-K62 PolarHBondContact O-N 2.05Å; K62-F69 HydrophobicContact CB-CD2 3.72Å; K62-F69 HydrophobicContact CB-CE2 3.44Å; K62-F69 VanDerWaalsContact CB-CE2 3.44Å; K62-F69 HydrophobicContact CD-CD2 4.18Å; K62-F69 HydrophobicContact CD-CE2 3.84Å; K62-F69 HydrophobicContact CG-CD2 4.46Å; K62-F69 HydrophobicContact CG-CE2 4.27Å
63	H	45.1	Very low	44.2	Very low	131 Å²	131	81.8 Å²	81.8	61%	0.606	40%	0.404	S	S	*	.			trans	-127.7	81	173.8	-100.4	-57.5	0	0	0	111.8
64	Q	36.7	Very low	43.7	Very low	186 Å²	186	79.5 Å²	79.5	87%	0.869	39%	0.394	S	S	*	.	S	Bend	trans	-144.1	98.8	154.7	-70	-166	-1	0	0	108.7
65	R	44.4	Very low	43.6	Very low	250 Å²	250	77.1 Å²	77.1	94%	0.943	38%	0.382	S	S	*	.	S	Bend	trans	94.9	3.1	163.7	-54.6	-173.6	177.1	-173.2	-0.3	122.1
66	T	41.6	Very low	43.4	Very low	104 Å²	104	80.9 Å²	80.9	64%	0.638	40%	0.396	S	S	*	.			trans	-131.4	133.9	172.6	55.6	0	0	0	0	113.7	A68	T66-A68 PolarHBondContact O-N 2.84Å
67	T	42.1	Very low	43.3	Very low	126 Å²	126	78.2 Å²	78.2	77%	0.773	38%	0.377	S	S	*	.	S	Bend	trans	-76.7	5.4	-179.5	42.8	0	0	0	0	114.5
68	A	41.1	Very low	43.4	Very low	52 Å²	52	77.9 Å²	77.9	43%	0.43	38%	0.375	S	S	.	.			trans	-128.9	123.4	175.7	0	0	0	0	0	107.9	T66	T66-A68 PolarHBondContact O-N 2.84Å
69	F	42	Very low	43.6	Very low	20 Å²	20	78.3 Å²	78.3	9%	0.088	38%	0.379	C	S	.	.			trans	-102.4	142.7	170	176.6	-109.8	0	0	0	109.1	G58 A59 K62 S71	G58-F69 WeakPolarHBondContact O-CZ 3.32Å; A59-F69 VanDerWaalsContact CA-CE1 3.45Å; A59-F69 HydrophobicContact CB-CD1 4.49Å; A59-F69 HydrophobicContact CB-CE1 3.9Å; K62-F69 HydrophobicContact CB-CD2 3.72Å; K62-F69 HydrophobicContact CB-CE2 3.44Å; K62-F69 VanDerWaalsContact CB-CE2 3.44Å; K62-F69 HydrophobicContact CD-CD2 4.18Å; K62-F69 HydrophobicContact CD-CE2 3.84Å; K62-F69 HydrophobicContact CG-CD2 4.46Å; K62-F69 HydrophobicContact CG-CE2 4.27Å; F69-S71 WeakPolarHBondContact CE1-OG 3.37Å; F69-S71 WeakPolarHBondContact CZ-OG 3.31Å
70	Q	43	Very low	44	Very low	118 Å²	118	83.1 Å²	83.1	55%	0.551	40%	0.396	S	S	*	.			trans	-128.3	105.2	171	-67.9	-174.2	-5.9	0	0	106.9	L14	L14-Q70 HydrophobicContact CD2-CB 3.86Å; L14-Q70 HydrophobicContact CD2-CG 3.95Å
71	S	43.4	Very low	44.3	Very low	3 Å²	3	75.5 Å²	75.5	2%	0.021	37%	0.367	C	S	.	.			trans	-82.9	145.8	163.5	-104	0	0	0	0	109.7	F69	F69-S71 WeakPolarHBondContact CE1-OG 3.37Å; F69-S71 WeakPolarHBondContact CZ-OG 3.31Å
72	I	45.2	Very low	44.4	Very low	75 Å²	75	82.1 Å²	82.1	39%	0.385	39%	0.391	S	S	.	.			trans	-118.7	105.3	169.3	-60.8	175.4	0	0	0	105.1	R12 F33 M74	R12-I72 HydrophobicContact CG-CG1 4.38Å; R12-I72 HydrophobicContact CG-CG2 4.19Å; F33-I72 WeakPolarHBondContact CD2-O 3.47Å; I72-M74 HydrophobicContact CG2-CG 4.23Å
73	V	46.8	Very low	44.6	Very low	0 Å²	0	83.6 Å²	83.6	0%	0	39%	0.393	C	S	.	.			trans	-103.6	113.7	167.2	-176	0	0	0	0	106.9	L11 F33 I38 F51 F55 I75	L11-V73 CarbonylContact O-C 3.6Å; F33-V73 HydrophobicContact CE2-CG2 4.2Å; F33-V73 HydrophobicContact CZ-CG2 4.27Å; I38-V73 HydrophobicContact CD1-CG1 4.33Å; F51-V73 HydrophobicContact CD2-CB 4.4Å; F51-V73 HydrophobicContact CD2-CG1 3.62Å; F51-V73 HydrophobicContact CE2-CB 3.64Å; F51-V73 HydrophobicContact CE2-CG1 3.33Å; F51-V73 HydrophobicContact CE2-CG2 4.17Å; F51-V73 HydrophobicContact CZ-CB 4.39Å; F51-V73 HydrophobicContact CZ-CG1 4.46Å; F55-V73 HydrophobicContact CB-CG2 4.39Å; F55-V73 HydrophobicContact CD2-CG2 3.72Å; V73-I75 HydrophobicContact CG1-CG1 4.2Å
74	M	45.4	Very low	44.4	Very low	59 Å²	59	80.8 Å²	80.8	29%	0.291	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.7	171.6	-68.9	-166.7	-70.6	0	0	109.2	L11 F33 I72	L11-M74 WeakPolarHBondContact O-CA 3.41Å; F33-M74 WeakPolarHBondContact O-CE 3.32Å; I72-M74 HydrophobicContact CG2-CG 4.23Å
75	I	48.5	Very low	44.4	Very low	1 Å²	1	76.4 Å²	76.4	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.8	173.4	-55	179.7	0	0	0	107	I9 Y10 L11 L40 F51 V73 V108	I9-I75 CarbonylContact C-O 3.59Å; Y10-I75 VanDerWaalsContact CA-O 3.26Å; Y10-I75 WeakPolarHBondContact CA-O 3.25Å; L11-I75 HydrophobicContact CB-CB 4.09Å; L11-I75 HydrophobicContact CB-CD1 4.05Å; L11-I75 HydrophobicContact CB-CG1 4.2Å; L11-I75 HydrophobicContact CD1-CB 3.88Å; L11-I75 HydrophobicContact CD1-CD1 4.1Å; L11-I75 HydrophobicContact CD1-CG2 4.06Å; L11-I75 HydrophobicContact CG-CD1 4.5Å; L11-I75 PolarHBondContact N-O 3.42Å; L11-I75 PolarHBondContact O-N 3.36Å; L40-I75 HydrophobicContact CD1-CG2 3.11Å; L40-I75 HydrophobicContact CD2-CG2 4.45Å; L40-I75 HydrophobicContact CG-CG2 3.49Å; L40-I75 VanDerWaalsContact CG-CG2 3.49Å; F51-I75 HydrophobicContact CD2-CD1 3.49Å; F51-I75 VanDerWaalsContact CD2-CD1 3.49Å; F51-I75 HydrophobicContact CD2-CG1 3.75Å; F51-I75 HydrophobicContact CE2-CD1 3.25Å; F51-I75 HydrophobicContact CE2-CG1 3.61Å; F51-I75 HydrophobicContact CG-CD1 4.37Å; F51-I75 HydrophobicContact CZ-CD1 3.97Å; V73-I75 HydrophobicContact CG1-CG1 4.2Å; I75-V108 HydrophobicContact CD1-CG2 4.42Å
76	R	46.4	Very low	43.9	Very low	84 Å²	84	73.6 Å²	73.6	32%	0.317	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	165.3	176.5	173.8	177.8	-172.5	3.4	108.4	N8 I9 L37 I38 D39 L40	N8-R76 HydrophobicContact CB-CG 4.46Å; N8-R76 PolarHBondContact OD1-NE 3.11Å; N8-R76 PolarHBondContact OD1-NH2 3.13Å; N8-R76 VanDerWaalsContact OD1-NH2 3.09Å; I9-R76 WeakPolarHBondContact O-CA 3.33Å; L37-R76 HydrophobicContact CD2-CB 3.63Å; L37-R76 HydrophobicContact CD2-CG 4.29Å; I38-R76 CarbonylContact O-C 3.49Å; I38-R76 WeakPolarHBondContact O-CA 3.29Å; I38-R76 PolarHBondContact O-N 2.81Å; D39-R76 WeakPolarHBondContact CA-O 3.11Å; L40-R76 PolarHBondContact N-O 3.32Å
77	A	47.9	Very low	43.4	Very low	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.8	171.9	0	0	0	0	0	111.5	I9 L40 A79 I104	I9-A77 PolarHBondContact N-O 3.18Å; I9-A77 VanDerWaalsContact N-O 3.15Å; I9-A77 PolarHBondContact O-N 3.25Å; I9-A77 VanDerWaalsContact O-N 3.13Å; L40-A77 HydrophobicContact CB-CB 3.91Å; L40-A77 HydrophobicContact CD1-CB 4.48Å; A77-A79 PolarHBondContact O-N 3.45Å; A77-I104 HydrophobicContact CB-CD1 3.04Å; A77-I104 HydrophobicContact CB-CG1 4.4Å
78	H	47.6	Very low	42.8	Very low	102 Å²	102	82.1 Å²	82.1	47%	0.472	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	104.2	162.5	-171.5	-80	0	0	0	108.2	S6	S6-H78 WeakPolarHBondContact CB-NE2 3.23Å; S6-H78 PolarHBondContact OG-CD2 3.28Å; S6-H78 PolarHBondContact OG-CE1 3.46Å; S6-H78 PolarHBondContact OG-NE2 3.14Å
79	A	48.2	Very low	42.3	Very low	10 Å²	10	85.9 Å²	85.9	8%	0.083	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.9	176.3	0	0	0	0	0	110.4	I9 A77 C81 C102 I104	I9-A79 HydrophobicContact CD1-CB 4.23Å; A77-A79 PolarHBondContact O-N 3.45Å; A79-C81 PolarHBondContact O-N 2.78Å; A79-C102 WeakPolarHBondContact CB-SG 3.26Å; A79-I104 HydrophobicContact CB-CB 4.29Å; A79-I104 HydrophobicContact CB-CG2 4.07Å
80	Q	49.1	Very low	41.7	Very low	131 Å²	131	93.9 Å²	93.9	61%	0.612	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	99.9	169	-69.3	-178.6	-14.7	0	0	107.3	P103	Q80-P103 WeakPolarHBondContact O-CD 3.45Å
81	C	45.5	Very low	41.2	Very low	9 Å²	9	95.4 Å²	95.4	6%	0.061	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.1	178.3	-52.8	0	0	0	0	109.6	I9 A79 I100 C102	I9-C81 WeakPolarHBondContact CD1-SG 3.48Å; A79-C81 PolarHBondContact O-N 2.78Å; C81-I100 HydrophobicContact CB-CG2 3.41Å; C81-I100 VanDerWaalsContact CB-CG2 3.41Å; C81-C102 VanDerWaalsContact CA-SG 3.53Å; C81-C102 HydrophobicContact CB-CB 3.9Å; C81-C102 WeakPolarHBondContact CB-SG 3.1Å; C81-C102 WeakPolarHBondContact SG-CB 2.99Å; C81-C102 CovalentContact SG-SG 2.06Å; C81-C102 PolarHBondContact SG-SG 2.74Å
82	R	43.9	Very low	40.7	Very low	147 Å²	147	98.7 Å²	98.7	56%	0.555	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.3	170.5	-169	175.2	-178.9	-174.8	-0.6	107.6	L84 Q101	R82-L84 PolarHBondContact O-N 3.44Å; R82-L84 VanDerWaalsContact O-N 3.14Å; R82-Q101 PolarHBondContact N-O 2.93Å; R82-Q101 VanDerWaalsContact N-O 3.11Å; R82-Q101 PolarHBondContact O-N 2.84Å
83	R	43.8	Very low	40.1	Very low	148 Å²	148	99.3 Å²	99.3	56%	0.558	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	114.5	165.9	-167.1	173.9	-171.9	172.8	2	106.8
84	L	40.9	Very low	39.6	Very low	71 Å²	71	108.2 Å²	108.2	37%	0.372	53%	0.533	S	S	.	.			trans	-69.5	131.3	173.5	-69.9	175.1	0	0	0	107.8	R82 H99 Q101	R82-L84 PolarHBondContact O-N 3.44Å; R82-L84 VanDerWaalsContact O-N 3.14Å; L84-H99 HydrophobicContact CD1-CB 4.49Å; L84-Q101 HydrophobicContact CD1-CB 3.85Å; L84-Q101 HydrophobicContact CD2-CB 4.34Å; L84-Q101 HydrophobicContact CG-CB 3.89Å
85	P	35.8	Very low	38.9	Very low	95 Å²	95	115 Å²	115	62%	0.617	56%	0.564	S	S	*	*			trans	-56.6	143.5	171	24.1	-30.9	0	0	0	108.4	Q87	P85-Q87 PolarHBondContact O-N 2.99Å
86	Y	32.8	Very low	38.1	Very low	190 Å²	190	118.5 Å²	118.5	75%	0.745	59%	0.593	S	S	*	*			trans	-56.8	82.9	175	-78.7	-85.9	0	0	0	110.1
87	Q	31.7	Very low	37.8	Very low	160 Å²	160	118.2 Å²	118.2	75%	0.748	61%	0.608	S	S	*	*			trans	-79.9	119.6	158.2	-84.9	-177.1	-21.5	0	0	105.6	P85 L89	P85-Q87 PolarHBondContact O-N 2.99Å; Q87-L89 PolarHBondContact O-N 3.28Å
88	R	29.9	Very low	37.3	Very low	249 Å²	249	122.3 Å²	122.3	94%	0.94	63%	0.634	S	S	*	*			trans	-61.1	80	173	-70.6	178.2	175.8	177	-1.8	109.1	Q90	R88-Q90 PolarHBondContact O-N 3Å
89	L	31.2	Very low	37	Very low	131 Å²	131	124.1 Å²	124.1	69%	0.686	64%	0.642	S	S	*	*			trans	-84.6	92.5	164.3	-89.5	158.6	0	0	0	106.7	Q87 L91	Q87-L89 PolarHBondContact O-N 3.28Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 2.68Å
90	Q	27.8	Very low	36.9	Very low	189 Å²	189	125.9 Å²	125.9	88%	0.883	65%	0.649	S	S	*	*			trans	-72.4	86	176.4	-164.6	171.9	2.3	0	0	108.7	R88	R88-Q90 PolarHBondContact O-N 3Å
91	L	34.5	Very low	36.7	Very low	150 Å²	150	125.1 Å²	125.1	79%	0.785	65%	0.646	S	S	*	*			trans	-97.1	95	167.8	-92.1	152.1	0	0	0	108.2	L89 G93	L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 2.68Å; L91-G93 PolarHBondContact O-N 3.49Å
92	G	31.5	Very low	36.7	Very low	71 Å²	71	124.9 Å²	124.9	73%	0.732	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.2	71.2	160.2	0	0	0	0	0	117.2	K94	G92-K94 VanDerWaalsContact C-N 3.27Å; G92-K94 PolarHBondContact O-N 3.41Å
93	G	33.2	Very low	37.2	Very low	88 Å²	88	122 Å²	122	91%	0.907	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.4	5.8	152.3	0	0	0	0	0	119	L91	L91-G93 PolarHBondContact O-N 3.49Å
94	K	36.9	Very low	37.5	Very low	188 Å²	188	115.6 Å²	115.6	82%	0.817	62%	0.621	S	S	*	*	S	Bend	trans	-121.9	130.7	176.3	-68.6	-177.3	178.9	179.6	0	109.9	G92 A96	G92-K94 VanDerWaalsContact C-N 3.27Å; G92-K94 PolarHBondContact O-N 3.41Å; K94-A96 PolarHBondContact O-N 3.39Å; K94-A96 VanDerWaalsContact O-N 3.09Å
95	Q	29.6	Very low	38.2	Very low	201 Å²	201	114.5 Å²	114.5	94%	0.939	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-47.8	117.3	178.9	-74	176.8	-13.7	0	0	110.2	A97	Q95-A97 PolarHBondContact O-N 3.46Å
96	A	32.8	Very low	39.3	Very low	75 Å²	75	111.1 Å²	111.1	62%	0.62	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-69	120.6	-176.5	0	0	0	0	0	110.1	K94	K94-A96 PolarHBondContact O-N 3.39Å; K94-A96 VanDerWaalsContact O-N 3.09Å
97	A	38.4	Very low	40.4	Very low	78 Å²	78	103.2 Å²	103.2	65%	0.645	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-54.8	144.5	172.2	0	0	0	0	0	110.7	Q95 H99	Q95-A97 PolarHBondContact O-N 3.46Å; A97-H99 PolarHBondContact O-CD2 3.48Å; A97-H99 PolarHBondContact O-N 2.9Å
98	T	38.8	Very low	41.7	Very low	86 Å²	86	95.7 Å²	95.7	53%	0.528	53%	0.532	S	S	.	.			trans	-53	103.6	176.7	-43.5	0	0	0	0	110.3	I100	T98-I100 HydrophobicContact CG2-CG1 4.48Å; T98-I100 PolarHBondContact O-N 3.2Å
99	H	41.8	Very low	43	Very low	139 Å²	139	90.9 Å²	90.9	64%	0.644	52%	0.518	S	S	*	.			trans	-75.6	93.8	177.4	-84.6	-89.1	0	0	0	109.7	L84 A97 Q101	L84-H99 HydrophobicContact CD1-CB 4.49Å; A97-H99 PolarHBondContact O-CD2 3.48Å; A97-H99 PolarHBondContact O-N 2.9Å; H99-Q101 PolarHBondContact O-N 3.09Å
100	I	44.8	Very low	44.3	Very low	47 Å²	47	93.1 Å²	93.1	24%	0.241	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	109	164.3	-62.1	178.4	0	0	0	106.5	C81 T98 C102	C81-I100 HydrophobicContact CB-CG2 3.41Å; C81-I100 VanDerWaalsContact CB-CG2 3.41Å; T98-I100 HydrophobicContact CG2-CG1 4.48Å; T98-I100 PolarHBondContact O-N 3.2Å; I100-C102 HydrophobicContact CG2-CB 4.27Å; I100-C102 PolarHBondContact O-N 3.13Å; I100-C102 VanDerWaalsContact O-N 3.11Å
101	Q	44.4	Very low	45.6	Very low	116 Å²	116	87.1 Å²	87.1	54%	0.542	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	99.1	169.4	-169.1	179.7	17.6	0	0	107.4	R82 L84 H99	R82-Q101 PolarHBondContact N-O 2.93Å; R82-Q101 VanDerWaalsContact N-O 3.11Å; R82-Q101 PolarHBondContact O-N 2.84Å; L84-Q101 HydrophobicContact CD1-CB 3.85Å; L84-Q101 HydrophobicContact CD2-CB 4.34Å; L84-Q101 HydrophobicContact CG-CB 3.89Å; H99-Q101 PolarHBondContact O-N 3.09Å
102	C	47	Very low	46.4	Very low	4 Å²	4	80.1 Å²	80.1	3%	0.027	46%	0.455	C	S	.	.			trans	-108	126.5	171.7	-139.9	0	0	0	0	109.7	I9 A79 C81 I100 I104 L105	I9-C102 HydrophobicContact CD1-CB 3.62Å; I9-C102 WeakPolarHBondContact CD1-SG 3.49Å; A79-C102 WeakPolarHBondContact CB-SG 3.26Å; C81-C102 VanDerWaalsContact CA-SG 3.53Å; C81-C102 HydrophobicContact CB-CB 3.9Å; C81-C102 WeakPolarHBondContact CB-SG 3.1Å; C81-C102 WeakPolarHBondContact SG-CB 2.99Å; C81-C102 CovalentContact SG-SG 2.06Å; C81-C102 PolarHBondContact SG-SG 2.74Å; I100-C102 HydrophobicContact CG2-CB 4.27Å; I100-C102 PolarHBondContact O-N 3.13Å; I100-C102 VanDerWaalsContact O-N 3.11Å; C102-I104 HydrophobicContact CB-CG2 4.13Å; C102-I104 PolarHBondContact O-N 3.36Å; C102-L105 WeakPolarHBondContact O-CB 3.43Å; C102-L105 PolarHBondContact O-N 2.88Å
103	P	52.9	Low	47.6	Very low	87 Å²	87	77.5 Å²	77.5	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-51.2	-30.1	-179.2	-27.3	33.6	0	0	0	112.7	Q80 L105 G106 F107	Q80-P103 WeakPolarHBondContact O-CD 3.45Å; P103-L105 VanDerWaalsContact C-N 3.34Å; P103-L105 PolarHBondContact O-N 3.15Å; P103-G106 PolarHBondContact O-N 2.95Å; P103-F107 PolarHBondContact O-N 3.48Å
104	I	51.5	Low	48.7	Very low	12 Å²	12	79.1 Å²	79.1	6%	0.062	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-28.6	-179.9	-157.9	163.4	0	0	0	114.5	I9 L40 A77 A79 C102 F107 V108	I9-I104 HydrophobicContact CD1-CG2 3.64Å; L40-I104 HydrophobicContact CB-CD1 4Å; L40-I104 HydrophobicContact CD1-CD1 3.55Å; L40-I104 HydrophobicContact CD1-CG1 4.37Å; L40-I104 HydrophobicContact CG-CD1 4.41Å; A77-I104 HydrophobicContact CB-CD1 3.04Å; A77-I104 HydrophobicContact CB-CG1 4.4Å; A79-I104 HydrophobicContact CB-CB 4.29Å; A79-I104 HydrophobicContact CB-CG2 4.07Å; C102-I104 HydrophobicContact CB-CG2 4.13Å; C102-I104 PolarHBondContact O-N 3.36Å; I104-F107 PolarHBondContact O-N 2.82Å; I104-V108 HydrophobicContact CG1-CG2 4.09Å; I104-V108 WeakPolarHBondContact O-CB 3.15Å; I104-V108 VanDerWaalsContact O-CG2 3.29Å; I104-V108 WeakPolarHBondContact O-CG2 3.44Å; I104-V108 PolarHBondContact O-N 3.49Å
105	L	54.3	Low	49.4	Very low	49 Å²	49	76.6 Å²	76.6	26%	0.257	40%	0.399	S	S	.	.	H	α-helix	trans	-62	-46.6	172.4	-83.1	169.5	0	0	0	111.1	L11 C102 P103 F107 K109 V124 F126	L11-L105 HydrophobicContact CD2-CD2 4.35Å; C102-L105 WeakPolarHBondContact O-CB 3.43Å; C102-L105 PolarHBondContact O-N 2.88Å; P103-L105 VanDerWaalsContact C-N 3.34Å; P103-L105 PolarHBondContact O-N 3.15Å; L105-F107 VanDerWaalsContact C-N 3.28Å; L105-F107 PolarHBondContact O-N 3.49Å; L105-K109 VanDerWaalsContact O-CB 3.22Å; L105-K109 WeakPolarHBondContact O-CB 3.25Å; L105-K109 PolarHBondContact O-N 3.4Å; L105-V124 HydrophobicContact CD2-CB 4.24Å; L105-V124 HydrophobicContact CD2-CG1 3.83Å; L105-V124 HydrophobicContact CD2-CG2 4.28Å; L105-F126 HydrophobicContact CD1-CE2 3.98Å; L105-F126 HydrophobicContact CD1-CZ 3.51Å; L105-F126 HydrophobicContact CD2-CE2 3.98Å; L105-F126 HydrophobicContact CD2-CZ 3.59Å; L105-F126 HydrophobicContact CG-CE2 4.33Å; L105-F126 HydrophobicContact CG-CZ 3.61Å
106	G	59.5	Low	50.4	Low	23 Å²	23	68.3 Å²	68.3	24%	0.237	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-38.2	176.9	0	0	0	0	0	111.3	P103 R110	P103-G106 PolarHBondContact O-N 2.95Å; G106-R110 VanDerWaalsContact O-CB 3.22Å; G106-R110 WeakPolarHBondContact O-CB 3.44Å; G106-R110 VanDerWaalsContact O-CG 3.23Å; G106-R110 WeakPolarHBondContact O-CG 3.19Å; G106-R110 PolarHBondContact O-N 3.28Å; G106-R110 PolarHBondContact O-NE 2.75Å
107	F	56.7	Low	50.9	Low	24 Å²	24	67.9 Å²	67.9	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-52.5	175.3	178.7	-89.8	0	0	0	112.7	C44 H45 C48 P103 I104 L105 K109 R110 N111	C44-F107 HydrophobicContact CB-CE1 4.41Å; C44-F107 WeakPolarHBondContact O-CE1 3.33Å; C44-F107 VanDerWaalsContact O-CZ 3.31Å; C44-F107 WeakPolarHBondContact O-CZ 3.49Å; C44-F107 WeakPolarHBondContact SG-CD1 3.26Å; C44-F107 WeakPolarHBondContact SG-CE1 3.14Å; H45-F107 AromaticContact CE1-CE2 3.57Å; H45-F107 AromaticContact CG-CE2 3.99Å; H45-F107 AromaticContact ND1-CE2 3.56Å; H45-F107 AromaticContact NE2-CE2 3.96Å; C48-F107 HydrophobicContact CB-CE1 3.88Å; C48-F107 HydrophobicContact CB-CZ 3.95Å; P103-F107 PolarHBondContact O-N 3.48Å; I104-F107 PolarHBondContact O-N 2.82Å; L105-F107 VanDerWaalsContact C-N 3.28Å; L105-F107 PolarHBondContact O-N 3.49Å; F107-K109 VanDerWaalsContact C-N 3.32Å; F107-K109 PolarHBondContact O-N 2.78Å; F107-R110 PolarHBondContact O-N 3.31Å; F107-N111 WeakPolarHBondContact CD2-ND2 2.9Å; F107-N111 HydrophobicContact CE1-CB 4.37Å; F107-N111 HydrophobicContact CE2-CB 4.12Å; F107-N111 WeakPolarHBondContact CE2-ND2 3.13Å; F107-N111 HydrophobicContact CZ-CB 4.01Å; F107-N111 WeakPolarHBondContact O-CB 2.92Å; F107-N111 PolarHBondContact O-N 3.2Å; F107-N111 PolarHBondContact O-ND2 3.46Å
108	V	57.7	Low	51.4	Low	2 Å²	2	67.6 Å²	67.6	1%	0.012	35%	0.348	C	S	.	.	I	π-helix	trans	-61.3	-43.4	179.8	172.3	0	0	0	0	110	L11 I75 I104 C112 L113	L11-V108 HydrophobicContact CD2-CB 4.48Å; L11-V108 HydrophobicContact CD2-CG1 4.25Å; L11-V108 HydrophobicContact CD2-CG2 4.38Å; I75-V108 HydrophobicContact CD1-CG2 4.42Å; I104-V108 HydrophobicContact CG1-CG2 4.09Å; I104-V108 WeakPolarHBondContact O-CB 3.15Å; I104-V108 VanDerWaalsContact O-CG2 3.29Å; I104-V108 WeakPolarHBondContact O-CG2 3.44Å; I104-V108 PolarHBondContact O-N 3.49Å; V108-C112 HydrophobicContact CG1-CB 4.26Å; V108-C112 CarbonylContact O-C 3.54Å; V108-C112 WeakPolarHBondContact O-CA 3.27Å; V108-C112 WeakPolarHBondContact O-CB 3.16Å; V108-C112 PolarHBondContact O-N 2.89Å; V108-L113 HydrophobicContact CG1-CD1 4.32Å; V108-L113 HydrophobicContact CG1-CD2 4.49Å; V108-L113 HydrophobicContact CG1-CG 4.09Å; V108-L113 WeakPolarHBondContact O-CG 3.33Å; V108-L113 PolarHBondContact O-N 2.79Å
109	K	57.3	Low	51.7	Low	149 Å²	149	70.8 Å²	70.8	65%	0.648	36%	0.357	S	S	*	.	I	π-helix	trans	-63.6	-44.6	177.1	-170.2	177.2	-179.9	179.3	0	113.3	L105 F107 L113	L105-K109 VanDerWaalsContact O-CB 3.22Å; L105-K109 WeakPolarHBondContact O-CB 3.25Å; L105-K109 PolarHBondContact O-N 3.4Å; F107-K109 VanDerWaalsContact C-N 3.32Å; F107-K109 PolarHBondContact O-N 2.78Å; K109-L113 HydrophobicContact CB-CD1 4.33Å; K109-L113 HydrophobicContact CG-CD1 4.46Å
110	R	59.4	Low	51.6	Low	177 Å²	177	75.1 Å²	75.1	67%	0.668	37%	0.367	S	S	*	.	I	π-helix	trans	-77.4	-39.1	-177.4	-72.7	-175.9	-67.5	-125.3	2.9	113.4	G106 F107 H114	G106-R110 VanDerWaalsContact O-CB 3.22Å; G106-R110 WeakPolarHBondContact O-CB 3.44Å; G106-R110 VanDerWaalsContact O-CG 3.23Å; G106-R110 WeakPolarHBondContact O-CG 3.19Å; G106-R110 PolarHBondContact O-N 3.28Å; G106-R110 PolarHBondContact O-NE 2.75Å; F107-R110 PolarHBondContact O-N 3.31Å; R110-H114 WeakPolarHBondContact O-CB 3.2Å
111	N	53.6	Low	51.5	Low	64 Å²	64	75.1 Å²	75.1	34%	0.342	37%	0.368	S	S	.	.	I	π-helix	trans	-102.3	-38.7	-171.1	-63.4	-69.6	0	0	0	112.8	F107 H115	F107-N111 WeakPolarHBondContact CD2-ND2 2.9Å; F107-N111 HydrophobicContact CE1-CB 4.37Å; F107-N111 HydrophobicContact CE2-CB 4.12Å; F107-N111 WeakPolarHBondContact CE2-ND2 3.13Å; F107-N111 HydrophobicContact CZ-CB 4.01Å; F107-N111 WeakPolarHBondContact O-CB 2.92Å; F107-N111 PolarHBondContact O-N 3.2Å; F107-N111 PolarHBondContact O-ND2 3.46Å; N111-H115 PolarHBondContact O-CD2 3.45Å
112	C	53.3	Low	51.4	Low	3 Å²	3	71.4 Å²	71.4	2%	0.02	35%	0.353	C	S	.	.	I	π-helix	trans	-97.8	-39.5	-172.8	-48.2	0	0	0	0	112.1	C48 F51 V52 V108 F116	C48-C112 WeakPolarHBondContact CB-SG 3.08Å; C48-C112 WeakPolarHBondContact SG-CA 3.21Å; C48-C112 WeakPolarHBondContact SG-CB 3.27Å; C48-C112 PolarHBondContact SG-N 2.91Å; C48-C112 VanDerWaalsContact SG-N 3.37Å; C48-C112 CovalentContact SG-SG 2.05Å; C48-C112 PolarHBondContact SG-SG 3.5Å; F51-C112 HydrophobicContact CD1-CB 3.71Å; F51-C112 HydrophobicContact CE1-CB 3.94Å; V52-C112 HydrophobicContact CG2-CB 4.37Å; V108-C112 HydrophobicContact CG1-CB 4.26Å; V108-C112 CarbonylContact O-C 3.54Å; V108-C112 WeakPolarHBondContact O-CA 3.27Å; V108-C112 WeakPolarHBondContact O-CB 3.16Å; V108-C112 PolarHBondContact O-N 2.89Å; C112-F116 VanDerWaalsContact O-CD2 3.25Å; C112-F116 WeakPolarHBondContact O-CD2 3.4Å; C112-F116 WeakPolarHBondContact O-CE2 3.35Å
113	L	55.5	Low	51.3	Low	15 Å²	15	76.9 Å²	76.9	8%	0.079	38%	0.376	C	S	.	.	S	Bend	trans	-80.5	-25.3	-179.4	-58.3	179.1	0	0	0	113.4	V13 V108 K109 H115 F116 V122	V13-L113 HydrophobicContact CG1-CD2 3.92Å; V108-L113 HydrophobicContact CG1-CD1 4.32Å; V108-L113 HydrophobicContact CG1-CD2 4.49Å; V108-L113 HydrophobicContact CG1-CG 4.09Å; V108-L113 WeakPolarHBondContact O-CG 3.33Å; V108-L113 PolarHBondContact O-N 2.79Å; K109-L113 HydrophobicContact CB-CD1 4.33Å; K109-L113 HydrophobicContact CG-CD1 4.46Å; L113-H115 PolarHBondContact O-N 3.36Å; L113-F116 HydrophobicContact CD2-CD2 4.35Å; L113-F116 PolarHBondContact O-N 2.95Å; L113-F116 VanDerWaalsContact O-N 3.09Å; L113-V122 HydrophobicContact CD1-CB 3.78Å; L113-V122 HydrophobicContact CD1-CG1 3.3Å; L113-V122 HydrophobicContact CD1-CG2 3.93Å; L113-V122 HydrophobicContact CD2-CB 4.45Å; L113-V122 HydrophobicContact CD2-CG1 3.85Å; L113-V122 HydrophobicContact CD2-CG2 3.92Å; L113-V122 HydrophobicContact CG-CG1 4.2Å; L113-V122 HydrophobicContact CG-CG2 4.32Å
114	H	55.6	Low	51	Low	122 Å²	122	74.8 Å²	74.8	57%	0.565	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-60.1	-33.1	174.1	-173.4	-96.3	0	0	0	112	R110 F116 G117	R110-H114 WeakPolarHBondContact O-CB 3.2Å; H114-F116 PolarHBondContact O-N 3.27Å; H114-G117 PolarHBondContact O-N 3.43Å
115	H	51.7	Low	50.7	Low	135 Å²	135	79 Å²	79	63%	0.625	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.6	176.1	-76.4	-61.2	0	0	0	114.1	V52 N111 L113 G117	V52-H115 HydrophobicContact CG1-CB 4.17Å; V52-H115 HydrophobicContact CG2-CB 4.18Å; N111-H115 PolarHBondContact O-CD2 3.45Å; L113-H115 PolarHBondContact O-N 3.36Å; H115-G117 VanDerWaalsContact C-N 3.34Å
116	F	51.6	Low	50.2	Low	28 Å²	28	80.5 Å²	80.5	12%	0.123	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-85	-2.3	-178.1	-70	-63.1	0	0	0	114	F51 V52 F55 C112 L113 H114 H118	F51-F116 HydrophobicContact CE1-CE2 4.09Å; V52-F116 HydrophobicContact CB-CZ 4.31Å; V52-F116 HydrophobicContact CG1-CZ 4.07Å; V52-F116 HydrophobicContact CG2-CE2 4.16Å; V52-F116 HydrophobicContact CG2-CZ 4.26Å; F55-F116 HydrophobicContact CB-CE1 4.28Å; F55-F116 HydrophobicContact CB-CE2 4.29Å; F55-F116 HydrophobicContact CB-CZ 3.61Å; F55-F116 AromaticContact CD1-CD1 3.7Å; F55-F116 HydrophobicContact CD1-CD1 3.7Å; F55-F116 HydrophobicContact CD1-CD2 4.46Å; F55-F116 AromaticContact CD1-CE1 3.03Å; F55-F116 HydrophobicContact CD1-CE1 3.03Å; F55-F116 AromaticContact CD1-CE2 3.89Å; F55-F116 HydrophobicContact CD1-CE2 3.89Å; F55-F116 HydrophobicContact CD1-CG 4.41Å; F55-F116 AromaticContact CD1-CZ 3.15Å; F55-F116 HydrophobicContact CD1-CZ 3.15Å; F55-F116 HydrophobicContact CD2-CZ 4.45Å; F55-F116 AromaticContact CE1-CD1 3.72Å; F55-F116 HydrophobicContact CE1-CD1 3.72Å; F55-F116 AromaticContact CE1-CE1 3.56Å; F55-F116 HydrophobicContact CE1-CE1 3.56Å; F55-F116 HydrophobicContact CE1-CE2 4.45Å; F55-F116 HydrophobicContact CE1-CG 4.31Å; F55-F116 AromaticContact CE1-CZ 3.96Å; F55-F116 HydrophobicContact CE1-CZ 3.96Å; F55-F116 AromaticContact CG-CE1 3.87Å; F55-F116 HydrophobicContact CG-CE1 3.87Å; F55-F116 AromaticContact CG-CE2 3.98Å; F55-F116 HydrophobicContact CG-CE2 3.98Å; F55-F116 AromaticContact CG-CZ 3.46Å; F55-F116 HydrophobicContact CG-CZ 3.46Å; F55-F116 VanDerWaalsContact CG-CZ 3.46Å; C112-F116 VanDerWaalsContact O-CD2 3.25Å; C112-F116 WeakPolarHBondContact O-CD2 3.4Å; C112-F116 WeakPolarHBondContact O-CE2 3.35Å; L113-F116 HydrophobicContact CD2-CD2 4.35Å; L113-F116 PolarHBondContact O-N 2.95Å; L113-F116 VanDerWaalsContact O-N 3.09Å; H114-F116 PolarHBondContact O-N 3.27Å; F116-H118 PolarHBondContact O-CD2 3.32Å; F116-H118 PolarHBondContact O-N 3.21Å
117	G	43.7	Very low	49.3	Very low	66 Å²	66	81.2 Å²	81.2	68%	0.68	39%	0.393	S	S	*	.	S	Bend	trans	62.8	-13.2	179.3	0	0	0	0	0	115.4	H114 H115 Q119	H114-G117 PolarHBondContact O-N 3.43Å; H115-G117 VanDerWaalsContact C-N 3.34Å; G117-Q119 PolarHBondContact O-N 3.17Å
118	H	49.2	Very low	48.5	Very low	72 Å²	72	88.8 Å²	88.8	33%	0.333	43%	0.426	S	S	.	.			trans	-101.9	72.5	-176.3	-63	-66.7	0	0	0	109.5	V15 F116 R120	V15-H118 HydrophobicContact CG1-CB 4.44Å; F116-H118 PolarHBondContact O-CD2 3.32Å; F116-H118 PolarHBondContact O-N 3.21Å; H118-R120 PolarHBondContact O-N 3.48Å; H118-R120 VanDerWaalsContact O-N 3.1Å
119	Q	43.7	Very low	47.5	Very low	153 Å²	153	99.2 Å²	99.2	72%	0.715	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.6	175.4	-68.3	-166.4	-2.7	0	0	113.5	G117	G117-Q119 PolarHBondContact O-N 3.17Å
120	R	41	Very low	47.1	Very low	230 Å²	230	96.8 Å²	96.8	87%	0.868	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-20.5	-163.4	-63	-172.6	-179.2	-177.6	0.9	115	H118	H118-R120 PolarHBondContact O-N 3.48Å; H118-R120 VanDerWaalsContact O-N 3.1Å
121	N	42.3	Very low	46.4	Very low	47 Å²	47	92.5 Å²	92.5	25%	0.251	46%	0.455	S	S	.	.	S	Bend	trans	-128.6	35.7	-168.4	-61.7	-22.7	0	0	0	113.7	D16	D16-N121 HydrophobicContact CB-CB 3.8Å; D16-N121 PolarHBondContact O-ND2 3.26Å
122	V	42.8	Very low	46	Very low	37 Å²	37	94.1 Å²	94.1	22%	0.224	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.5	175.4	-177.3	0	0	0	0	110.9	V13 L14 V15 L113 V124	V13-V122 HydrophobicContact CG1-CG1 3.82Å; L14-V122 WeakPolarHBondContact O-CA 2.98Å; V15-V122 HydrophobicContact CG2-CG2 4.46Å; L113-V122 HydrophobicContact CD1-CB 3.78Å; L113-V122 HydrophobicContact CD1-CG1 3.3Å; L113-V122 HydrophobicContact CD1-CG2 3.93Å; L113-V122 HydrophobicContact CD2-CB 4.45Å; L113-V122 HydrophobicContact CD2-CG1 3.85Å; L113-V122 HydrophobicContact CD2-CG2 3.92Å; L113-V122 HydrophobicContact CG-CG1 4.2Å; L113-V122 HydrophobicContact CG-CG2 4.32Å; V122-V124 HydrophobicContact CG1-CG2 4.3Å
123	F	44.8	Very low	45.6	Very low	120 Å²	120	99.5 Å²	99.5	53%	0.526	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.7	170.6	-58.2	-87.2	0	0	0	108.4	R12 L14	R12-F123 CarbonylContact O-C 3.54Å; L14-F123 HydrophobicContact CB-CB 4.28Å; L14-F123 HydrophobicContact CB-CD2 4.11Å; L14-F123 HydrophobicContact CD1-CB 4.12Å; L14-F123 HydrophobicContact CD1-CD2 4.35Å; L14-F123 HydrophobicContact CD1-CG 4.48Å; L14-F123 HydrophobicContact CG-CB 4.49Å; L14-F123 PolarHBondContact N-O 3.13Å
124	V	45.1	Very low	45	Very low	43 Å²	43	104.8 Å²	104.8	26%	0.261	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.9	172.7	176.5	0	0	0	0	107.5	L11 R12 L105 V122 F126	L11-V124 HydrophobicContact CB-CG1 4.27Å; L11-V124 HydrophobicContact CD2-CB 4.35Å; L11-V124 HydrophobicContact CD2-CG1 3.43Å; L11-V124 VanDerWaalsContact CD2-CG1 3.43Å; L11-V124 HydrophobicContact CD2-CG2 3.95Å; L11-V124 HydrophobicContact CG-CG1 3.83Å; R12-V124 WeakPolarHBondContact O-CA 3.48Å; L105-V124 HydrophobicContact CD2-CB 4.24Å; L105-V124 HydrophobicContact CD2-CG1 3.83Å; L105-V124 HydrophobicContact CD2-CG2 4.28Å; V122-V124 HydrophobicContact CG1-CG2 4.3Å; V124-F126 HydrophobicContact CG1-CD2 4.37Å; V124-F126 HydrophobicContact CG1-CE2 3.85Å; V124-F126 HydrophobicContact CG1-CZ 4.13Å
125	H	47	Very low	44.3	Very low	100 Å²	100	103.6 Å²	103.6	46%	0.463	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141.1	168.7	-68.3	-95.7	0	0	0	110.2	R12	R12-H125 HydrophobicContact CB-CB 4.13Å; R12-H125 PolarHBondContact O-N 3.05Å
126	F	43.4	Very low	43.7	Very low	81 Å²	81	101.4 Å²	101.4	36%	0.355	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.1	169.8	-73.5	-89	0	0	0	109.1	I9 L105 V124	I9-F126 HydrophobicContact CB-CE1 4.39Å; I9-F126 HydrophobicContact CD1-CE1 3.95Å; I9-F126 HydrophobicContact CG1-CD1 4.3Å; I9-F126 HydrophobicContact CG1-CE1 4.02Å; I9-F126 HydrophobicContact CG2-CD1 3.75Å; I9-F126 HydrophobicContact CG2-CE1 3.48Å; I9-F126 VanDerWaalsContact CG2-CE1 3.48Å; I9-F126 HydrophobicContact CG2-CZ 4.49Å; L105-F126 HydrophobicContact CD1-CE2 3.98Å; L105-F126 HydrophobicContact CD1-CZ 3.51Å; L105-F126 HydrophobicContact CD2-CE2 3.98Å; L105-F126 HydrophobicContact CD2-CZ 3.59Å; L105-F126 HydrophobicContact CG-CE2 4.33Å; L105-F126 HydrophobicContact CG-CZ 3.61Å; V124-F126 HydrophobicContact CG1-CD2 4.37Å; V124-F126 HydrophobicContact CG1-CE2 3.85Å; V124-F126 HydrophobicContact CG1-CZ 4.13Å
127	G	40.4	Very low	43.1	Very low	38 Å²	38	107 Å²	107	39%	0.392	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.1	160.4	0	0	0	0	0	109.4
128	K	40.4	Very low	43.1	Very low	183 Å²	183	110.4 Å²	110.4	80%	0.796	52%	0.518	S	S	*	.			trans	-88.6	134.1	151.4	-71	-175.5	176.5	-173.8	0	106
129	Q	36.9	Very low	42.5	Very low	221 Å²	221	113.9 Å²	113.9	100%	1.033	54%	0.535	S	S	*	.			trans	-74.2	0	149.1	-80.7	-171.9	-20.8	0	0	107.8	Y10	Y10-Q129 HydrophobicContact CE2-CG 4.16Å; Y10-Q129 PolarHBondContact OH-OE1 2.97Å

Retrieved 129 of 129 residues in 107.4 ms (Link to these results)

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