A0A077ZJ23_TRITR Loading...

DuoxA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ23, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 aa.

						>A0A077ZJ23_TRITR|A0A077ZJ23
MDQLFVDGANTSHWCLDLKSFSSERVLGILGIHIGLSCANITLQGSTEKNSHEFMNYNERIYFTDVKTIHRNLLDSLHKGLPYPIITVIEYLAAEKAGFIWGRAYRLAGYYTDFLLW
					

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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	31.1	Very low	63.4	Low	217 Å²	217	94.9 Å²	94.9	100%	1.069	53%	0.525	S	S	*	.				0	59	0	-50.6	-54.6	-80.1	0	0	109.9
2	D	47.9	Very low	64.2	Low	120 Å²	120	94.3 Å²	94.3	64%	0.642	53%	0.532	S	S	*	.			cis	-150.9	141.7	-14	-71.4	-43.2	0	0	0	103.1	L4	D2-L4 PolarHBondContact O-N 2.98Å
3	Q	50.4	Low	64.1	Low	94 Å²	94	97.1 Å²	97.1	44%	0.439	54%	0.538	S	S	.	.			trans	-68	83.9	172.1	-66	-171.8	-66	0	0	106.8	F5	Q3-F5 HydrophobicContact CB-CD2 4.29Å; Q3-F5 PolarHBondContact O-N 3.1Å
4	L	59.2	Low	64.1	Low	95 Å²	95	99.8 Å²	99.8	50%	0.497	54%	0.536	S	S	.	.			trans	-67.7	93.5	169.3	-78.6	174.8	0	0	0	105.9	D2 V6 G35 L36 L116	D2-L4 PolarHBondContact O-N 2.98Å; L4-V6 PolarHBondContact O-N 3.05Å; L4-G35 WeakPolarHBondContact O-CA 2.95Å; L4-L36 HydrophobicContact CB-CD1 4.34Å; L4-L116 HydrophobicContact CD1-CD1 4.22Å
5	F	65.7	Low	64.1	Low	73 Å²	73	97.3 Å²	97.3	32%	0.32	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	100.6	176.1	-124.4	-65.5	0	0	0	106.5	Q3 D7 H33 I34 N40	Q3-F5 HydrophobicContact CB-CD2 4.29Å; Q3-F5 PolarHBondContact O-N 3.1Å; F5-D7 WeakPolarHBondContact CE1-O 3.33Å; F5-H33 HydrophobicContact CD1-CB 3.46Å; F5-H33 VanDerWaalsContact CD1-CB 3.46Å; F5-H33 AromaticContact CD1-CD2 3.56Å; F5-H33 AromaticContact CD1-CG 3.9Å; F5-H33 HydrophobicContact CD2-CB 4.18Å; F5-H33 HydrophobicContact CE1-CB 3.07Å; F5-H33 WeakPolarHBondContact CE1-O 3.37Å; F5-H33 HydrophobicContact CE2-CB 3.62Å; F5-H33 HydrophobicContact CG-CB 4.16Å; F5-H33 HydrophobicContact CZ-CB 3.15Å; F5-H33 WeakPolarHBondContact CZ-O 3.4Å; F5-I34 WeakPolarHBondContact CE1-O 3.26Å; F5-N40 HydrophobicContact CE2-CB 4.26Å; F5-N40 HydrophobicContact CZ-CB 4.47Å
6	V	69.2	Low	64.3	Low	83 Å²	83	93 Å²	93	50%	0.503	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-38.5	-174.2	-177.7	0	0	0	0	110.1	L4 I34 L36 Y105	L4-V6 PolarHBondContact O-N 3.05Å; V6-I34 PolarHBondContact N-O 3.42Å; V6-L36 HydrophobicContact CG2-CD1 3.87Å; V6-Y105 WeakPolarHBondContact CB-OH 3.08Å; V6-Y105 WeakPolarHBondContact CG2-OH 3.41Å
7	D	73.5	Confident	64.5	Low	98 Å²	98	91.7 Å²	91.7	52%	0.524	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	139.9	177.8	-166.8	66.9	0	0	0	111	F5 I34	F5-D7 WeakPolarHBondContact CE1-O 3.33Å; D7-I34 PolarHBondContact N-O 3.04Å; D7-I34 PolarHBondContact O-N 3.05Å
8	G	77.5	Confident	64.3	Low	42 Å²	42	89.2 Å²	89.2	43%	0.433	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	119.5	179	0	0	0	0	0	109.9	I32	G8-I32 CarbonylContact C-O 3.54Å; G8-I32 WeakPolarHBondContact CA-O 3.34Å
9	A	76.8	Confident	64.2	Low	43 Å²	43	92.5 Å²	92.5	36%	0.355	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.1	174.5	0	0	0	0	0	108.8	G31 I32	A9-G31 WeakPolarHBondContact O-CA 3.27Å; A9-I32 HydrophobicContact CB-CG2 4.02Å; A9-I32 PolarHBondContact N-O 3.05Å; A9-I32 PolarHBondContact O-N 3.3Å
10	N	77.3	Confident	64	Low	133 Å²	133	91.8 Å²	91.8	71%	0.711	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.1	164.3	65	-15.1	0	0	0	109.2
11	T	69.3	Low	63.9	Low	46 Å²	46	97.5 Å²	97.5	28%	0.282	52%	0.516	S	S	.	.			trans	-92.7	147.3	172.6	71.9	0	0	0	0	108.4	I29 L30	T11-I29 WeakPolarHBondContact O-CG2 3.48Å; T11-L30 WeakPolarHBondContact CB-O 3.36Å; T11-L30 WeakPolarHBondContact CG2-O 3.44Å; T11-L30 PolarHBondContact N-O 3.31Å; T11-L30 PolarHBondContact OG1-N 3.13Å; T11-L30 VanDerWaalsContact OG1-N 3.13Å; T11-L30 PolarHBondContact OG1-O 2.85Å
12	S	72.1	Confident	65.2	Low	87 Å²	87	89.2 Å²	89.2	61%	0.608	48%	0.479	S	S	*	.			trans	-64.7	-169.3	173.5	53.3	0	0	0	0	111.4	W14	S12-W14 PolarHBondContact O-N 2.98Å; S12-W14 PolarHBondContact O-NE1 3.03Å
13	H	63.3	Low	66	Low	131 Å²	131	88.7 Å²	88.7	61%	0.606	49%	0.485	S	S	*	.	S	Bend	trans	-57.8	114.6	174.8	-121.1	-101.2	0	0	0	110.5
14	W	64.2	Low	66.7	Low	135 Å²	135	87.7 Å²	87.7	51%	0.511	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.2	173.7	-68.3	87.1	0	0	0	110.4	S12 L16 L27 G28	S12-W14 PolarHBondContact O-N 2.98Å; S12-W14 PolarHBondContact O-NE1 3.03Å; W14-L16 HydrophobicContact CB-CD2 4.17Å; W14-L16 HydrophobicContact CB-CG 4.07Å; W14-L16 PolarHBondContact O-N 2.92Å; W14-L27 WeakPolarHBondContact O-CA 3.48Å; W14-G28 PolarHBondContact N-O 2.76Å; W14-G28 PolarHBondContact O-N 3.32Å
15	C	63.3	Low	67	Low	62 Å²	62	90.3 Å²	90.3	42%	0.419	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	101.7	167.7	178.1	0	0	0	0	107.7	R25 L27	C15-R25 VanDerWaalsContact SG-CB 3.54Å; C15-R25 WeakPolarHBondContact SG-CD 3.48Å; C15-R25 VanDerWaalsContact SG-CG 3.51Å; C15-L27 HydrophobicContact CB-CD2 3.9Å
16	L	68.2	Low	67.1	Low	29 Å²	29	87.3 Å²	87.3	15%	0.152	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.5	-175.3	-66.6	168.9	0	0	0	110.3	W14 R25 V26 L30 L43 P84	W14-L16 HydrophobicContact CB-CD2 4.17Å; W14-L16 HydrophobicContact CB-CG 4.07Å; W14-L16 PolarHBondContact O-N 2.92Å; L16-R25 CarbonylContact O-C 3.6Å; L16-R25 WeakPolarHBondContact O-CA 3.44Å; L16-V26 PolarHBondContact N-O 3.17Å; L16-V26 PolarHBondContact O-N 3.38Å; L16-L30 HydrophobicContact CD1-CB 4.42Å; L16-L43 HydrophobicContact CD1-CD1 3.47Å; L16-L43 VanDerWaalsContact CD1-CD1 3.47Å; L16-P84 HydrophobicContact CB-CG 3.7Å; L16-P84 HydrophobicContact CD1-CB 4.17Å; L16-P84 HydrophobicContact CD1-CG 4.08Å; L16-P84 HydrophobicContact CD2-CB 3.99Å; L16-P84 HydrophobicContact CD2-CG 3.93Å; L16-P84 HydrophobicContact CG-CB 4.47Å; L16-P84 HydrophobicContact CG-CG 4.11Å
17	D	68	Low	67	Low	71 Å²	71	85.6 Å²	85.6	38%	0.38	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.7	174.2	-60	-43.3	0	0	0	110.2	K19 R25 P84	D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.97Å; D17-R25 WeakPolarHBondContact OD1-CG 3.37Å; D17-R25 IonicContact OD1-NE 3.78Å; D17-P84 WeakPolarHBondContact O-CD 3.28Å
18	L	60.5	Low	67.2	Low	47 Å²	47	81 Å²	81	25%	0.246	44%	0.435	C	S	.	.	S	Bend	trans	-66.5	-30.6	-173.9	-141	151	0	0	0	111.9	E24 V26 Y83	L18-E24 HydrophobicContact CB-CB 4.26Å; L18-E24 HydrophobicContact CB-CG 4.46Å; L18-E24 WeakPolarHBondContact CB-O 3.42Å; L18-E24 HydrophobicContact CD1-CB 4.49Å; L18-E24 HydrophobicContact CD1-CG 3.82Å; L18-E24 PolarHBondContact N-O 2.88Å; L18-V26 HydrophobicContact CB-CG2 4.28Å; L18-V26 HydrophobicContact CD1-CG2 3.39Å; L18-V26 HydrophobicContact CG-CG2 3.79Å; L18-Y83 PolarHBondContact O-N 3.12Å
19	K	62.7	Low	67.4	Low	151 Å²	151	82.2 Å²	82.2	66%	0.657	43%	0.431	S	S	*	.	S	Bend	trans	-144.9	147.4	-179.4	-169.6	170.3	-177	173.3	0	109.2	D17 F21 S22	D17-K19 VanDerWaalsContact C-N 3.26Å; D17-K19 PolarHBondContact O-N 2.97Å; K19-F21 PolarHBondContact O-N 3.43Å; K19-S22 PolarHBondContact O-N 3.4Å
20	S	59.3	Low	67.9	Low	79 Å²	79	81.3 Å²	81.3	55%	0.552	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	119.3	171.7	-176.4	0	0	0	0	108.9	S22	S20-S22 PolarHBondContact O-N 2.85Å
21	F	61.4	Low	68.5	Low	212 Å²	212	75 Å²	75	93%	0.93	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	8.6	-177	-162.2	-101.9	0	0	0	117.3	K19	K19-F21 PolarHBondContact O-N 3.43Å
22	S	60.3	Low	69.4	Low	42 Å²	42	74.6 Å²	74.6	29%	0.294	38%	0.382	S	S	.	.			trans	-82.6	141	170.8	-176.1	0	0	0	0	111.5	K19 S20 E24	K19-S22 PolarHBondContact O-N 3.4Å; S20-S22 PolarHBondContact O-N 2.85Å; S22-E24 PolarHBondContact O-N 2.76Å; S22-E24 WeakPolarHBondContact OG-CB 3.48Å; S22-E24 PolarHBondContact OG-N 3.26Å; S22-E24 VanDerWaalsContact OG-N 3.17Å
23	S	63.4	Low	70.2	Confident	109 Å²	109	73.8 Å²	73.8	76%	0.762	37%	0.369	S	S	*	.	S	Bend	trans	-76	-4.8	171.6	-170.5	0	0	0	0	112.4	R25	S23-R25 PolarHBondContact O-N 2.9Å
24	E	65.1	Low	71.3	Confident	74 Å²	74	69.8 Å²	69.8	35%	0.346	35%	0.351	S	S	.	.			trans	-77.8	111.4	177.7	-164	160.3	-147.4	0	0	110.7	L18 S22	L18-E24 HydrophobicContact CB-CB 4.26Å; L18-E24 HydrophobicContact CB-CG 4.46Å; L18-E24 WeakPolarHBondContact CB-O 3.42Å; L18-E24 HydrophobicContact CD1-CB 4.49Å; L18-E24 HydrophobicContact CD1-CG 3.82Å; L18-E24 PolarHBondContact N-O 2.88Å; S22-E24 PolarHBondContact O-N 2.76Å; S22-E24 WeakPolarHBondContact OG-CB 3.48Å; S22-E24 PolarHBondContact OG-N 3.26Å; S22-E24 VanDerWaalsContact OG-N 3.17Å
25	R	65.1	Low	72.4	Confident	150 Å²	150	63.5 Å²	63.5	57%	0.566	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.9	-178.5	-73.8	164.1	172.4	-157.3	9.1	109.5	C15 L16 D17 S23	C15-R25 VanDerWaalsContact SG-CB 3.54Å; C15-R25 WeakPolarHBondContact SG-CD 3.48Å; C15-R25 VanDerWaalsContact SG-CG 3.51Å; L16-R25 CarbonylContact O-C 3.6Å; L16-R25 WeakPolarHBondContact O-CA 3.44Å; D17-R25 WeakPolarHBondContact OD1-CG 3.37Å; D17-R25 IonicContact OD1-NE 3.78Å; S23-R25 PolarHBondContact O-N 2.9Å
26	V	67.8	Low	73.3	Confident	9 Å²	9	62.6 Å²	62.6	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.2	172	-176.1	0	0	0	0	107.3	L16 L18 G28	L16-V26 PolarHBondContact N-O 3.17Å; L16-V26 PolarHBondContact O-N 3.38Å; L18-V26 HydrophobicContact CB-CG2 4.28Å; L18-V26 HydrophobicContact CD1-CG2 3.39Å; L18-V26 HydrophobicContact CG-CG2 3.79Å; V26-G28 PolarHBondContact O-N 2.91Å
27	L	68.5	Low	73.9	Confident	48 Å²	48	63.8 Å²	63.8	25%	0.251	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.3	165.9	-76.3	179.5	0	0	0	108.3	W14 C15 G45 S46 E48	W14-L27 WeakPolarHBondContact O-CA 3.48Å; C15-L27 HydrophobicContact CB-CD2 3.9Å; L27-G45 VanDerWaalsContact O-CA 3.26Å; L27-G45 WeakPolarHBondContact O-CA 3.33Å; L27-S46 PolarHBondContact O-N 3.43Å; L27-E48 HydrophobicContact CD1-CG 3.99Å; L27-E48 WeakPolarHBondContact CD1-OE1 3.48Å; L27-E48 HydrophobicContact CG-CG 4.48Å; L27-E48 WeakPolarHBondContact CG-OE1 3.38Å
28	G	76.2	Confident	74.7	Confident	2 Å²	2	61.2 Å²	61.2	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	165	-178.1	0	0	0	0	0	114.3	W14 V26 Q44	W14-G28 PolarHBondContact N-O 2.76Å; W14-G28 PolarHBondContact O-N 3.32Å; V26-G28 PolarHBondContact O-N 2.91Å; G28-Q44 CarbonylContact C-O 3.43Å; G28-Q44 WeakPolarHBondContact CA-O 3.48Å
29	I	83.3	Confident	75.9	Confident	67 Å²	67	59 Å²	59	34%	0.344	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.1	172.6	-65.7	167.8	0	0	0	106.5	T11 Q44	T11-I29 WeakPolarHBondContact O-CG2 3.48Å; I29-Q44 PolarHBondContact N-O 3.24Å; I29-Q44 PolarHBondContact O-N 2.93Å
30	L	86.6	Confident	77.1	Confident	23 Å²	23	52.6 Å²	52.6	12%	0.12	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.3	170.4	-178.1	67.1	0	0	0	107.7	T11 L16 I41 L43 P84 V88	T11-L30 WeakPolarHBondContact CB-O 3.36Å; T11-L30 WeakPolarHBondContact CG2-O 3.44Å; T11-L30 PolarHBondContact N-O 3.31Å; T11-L30 PolarHBondContact OG1-N 3.13Å; T11-L30 VanDerWaalsContact OG1-N 3.13Å; T11-L30 PolarHBondContact OG1-O 2.85Å; L16-L30 HydrophobicContact CD1-CB 4.42Å; L30-I41 HydrophobicContact CD1-CG2 3.99Å; L30-L43 HydrophobicContact CB-CD1 4.28Å; L30-L43 HydrophobicContact CD1-CB 4.18Å; L30-L43 HydrophobicContact CD1-CD1 4.17Å; L30-P84 HydrophobicContact CD2-CB 4.49Å; L30-V88 HydrophobicContact CD2-CG2 3.88Å
31	G	89.1	Confident	78.6	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134	175.9	0	0	0	0	0	110.2	A9 I41 T42	A9-G31 WeakPolarHBondContact O-CA 3.27Å; G31-I41 WeakPolarHBondContact O-CA 3.39Å; G31-T42 WeakPolarHBondContact CA-OG1 3.45Å; G31-T42 PolarHBondContact N-O 3.42Å; G31-T42 PolarHBondContact O-N 2.89Å; G31-T42 PolarHBondContact O-OG1 3.2Å
32	I	89.1	Confident	79.9	Confident	38 Å²	38	40 Å²	40	20%	0.195	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.8	165.6	-175.4	170.3	0	0	0	109	G8 A9 I34 I41 V88 L92	G8-I32 CarbonylContact C-O 3.54Å; G8-I32 WeakPolarHBondContact CA-O 3.34Å; A9-I32 HydrophobicContact CB-CG2 4.02Å; A9-I32 PolarHBondContact N-O 3.05Å; A9-I32 PolarHBondContact O-N 3.3Å; I32-I34 HydrophobicContact CD1-CG1 4.12Å; I32-I34 HydrophobicContact CG1-CG1 4.17Å; I32-I41 HydrophobicContact CD1-CG1 4.48Å; I32-I41 HydrophobicContact CG1-CG1 4.29Å; I32-V88 HydrophobicContact CD1-CG1 3.77Å; I32-L92 HydrophobicContact CD1-CD1 4.09Å; I32-L92 HydrophobicContact CD1-CD2 4.47Å
33	H	89.2	Confident	81.1	Confident	70 Å²	70	38.2 Å²	38.2	32%	0.324	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.6	177.2	-76.8	108.9	0	0	0	103.5	F5 A39 N40	F5-H33 HydrophobicContact CD1-CB 3.46Å; F5-H33 VanDerWaalsContact CD1-CB 3.46Å; F5-H33 AromaticContact CD1-CD2 3.56Å; F5-H33 AromaticContact CD1-CG 3.9Å; F5-H33 HydrophobicContact CD2-CB 4.18Å; F5-H33 HydrophobicContact CE1-CB 3.07Å; F5-H33 WeakPolarHBondContact CE1-O 3.37Å; F5-H33 HydrophobicContact CE2-CB 3.62Å; F5-H33 HydrophobicContact CG-CB 4.16Å; F5-H33 HydrophobicContact CZ-CB 3.15Å; F5-H33 WeakPolarHBondContact CZ-O 3.4Å; H33-A39 CarbonylContact O-C 3.52Å; H33-A39 WeakPolarHBondContact O-CA 3.15Å; H33-N40 HydrophobicContact CB-CB 4.11Å; H33-N40 WeakPolarHBondContact CB-O 3.41Å; H33-N40 PolarHBondContact N-O 2.86Å; H33-N40 PolarHBondContact O-N 2.76Å
34	I	86.7	Confident	82.1	Confident	47 Å²	47	37.9 Å²	37.9	24%	0.241	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120	165.6	-49.5	168.7	0	0	0	114.2	F5 V6 D7 I32 F63 Y105	F5-I34 WeakPolarHBondContact CE1-O 3.26Å; V6-I34 PolarHBondContact N-O 3.42Å; D7-I34 PolarHBondContact N-O 3.04Å; D7-I34 PolarHBondContact O-N 3.05Å; I32-I34 HydrophobicContact CD1-CG1 4.12Å; I32-I34 HydrophobicContact CG1-CG1 4.17Å; I34-F63 HydrophobicContact CG2-CE1 4.41Å; I34-F63 HydrophobicContact CG2-CZ 4.17Å; I34-Y105 HydrophobicContact CG2-CE1 3.81Å
35	G	85.7	Confident	82.7	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	177.9	169.9	0	0	0	0	0	112.1	L4 S37 C38 F63 Y105	L4-G35 WeakPolarHBondContact O-CA 2.95Å; G35-S37 VanDerWaalsContact C-N 3.32Å; G35-S37 PolarHBondContact O-N 2.82Å; G35-C38 CarbonylContact C-O 3.51Å; G35-C38 WeakPolarHBondContact CA-O 3.02Å; G35-C38 PolarHBondContact N-O 3.06Å; G35-C38 PolarHBondContact O-N 2.88Å; G35-C38 VanDerWaalsContact O-O 3.13Å; G35-F63 WeakPolarHBondContact O-CZ 3.28Å; G35-Y105 VanDerWaalsContact C-OH 3.28Å; G35-Y105 WeakPolarHBondContact O-CE1 3.35Å; G35-Y105 PolarHBondContact O-OH 2.7Å
36	L	82.5	Confident	82.8	Confident	43 Å²	43	30 Å²	30	23%	0.225	17%	0.166	C	C	.	.	S	Bend	trans	-49.4	-38.9	-169.1	-103.3	75.3	0	0	0	117.3	L4 V6 F63 T112	L4-L36 HydrophobicContact CB-CD1 4.34Å; V6-L36 HydrophobicContact CG2-CD1 3.87Å; L36-F63 WeakPolarHBondContact O-CE2 3.41Å; L36-T112 HydrophobicContact CD2-CG2 3.7Å
37	S	81.4	Confident	82.6	Confident	54 Å²	54	30.4 Å²	30.4	38%	0.378	17%	0.168	S	C	.	.	S	Bend	trans	-129.6	-5	-175.8	-159.7	0	0	0	0	113.3	G35 F63	G35-S37 VanDerWaalsContact C-N 3.32Å; G35-S37 PolarHBondContact O-N 2.82Å; S37-F63 VanDerWaalsContact CA-CE2 3.47Å; S37-F63 WeakPolarHBondContact O-CD2 3.46Å; S37-F63 PolarHBondContact O-N 3.33Å
38	C	84.9	Confident	82.3	Confident	17 Å²	17	35 Å²	35	12%	0.115	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.9	-175.1	61.4	0	0	0	0	111.9	G35 R60 I61 Y62 F63	G35-C38 CarbonylContact C-O 3.51Å; G35-C38 WeakPolarHBondContact CA-O 3.02Å; G35-C38 PolarHBondContact N-O 3.06Å; G35-C38 PolarHBondContact O-N 2.88Å; G35-C38 VanDerWaalsContact O-O 3.13Å; C38-R60 HydrophobicContact CB-CG 4.43Å; C38-I61 CarbonylContact C-O 3.48Å; C38-I61 WeakPolarHBondContact CA-O 3.43Å; C38-I61 WeakPolarHBondContact CB-O 3.37Å; C38-Y62 HydrophobicContact CB-CD1 3.8Å; C38-Y62 HydrophobicContact CB-CE1 4.05Å; C38-F63 VanDerWaalsContact CA-CE1 3.47Å
39	A	86	Confident	81.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.4	169	0	0	0	0	0	108.7	H33 R60 I61 F63 L92	H33-A39 CarbonylContact O-C 3.52Å; H33-A39 WeakPolarHBondContact O-CA 3.15Å; A39-R60 WeakPolarHBondContact O-CA 3.16Å; A39-I61 PolarHBondContact N-O 3.44Å; A39-I61 PolarHBondContact O-N 3.21Å; A39-F63 HydrophobicContact CB-CD1 4.36Å; A39-F63 HydrophobicContact CB-CE1 3.94Å; A39-F63 VanDerWaalsContact N-CE1 3.31Å; A39-L92 HydrophobicContact CB-CD1 4.15Å
40	N	88.7	Confident	80.1	Confident	18 Å²	18	43.2 Å²	43.2	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.6	174.4	-166.8	82.1	0	0	0	108.5	F5 H33 N58	F5-N40 HydrophobicContact CE2-CB 4.26Å; F5-N40 HydrophobicContact CZ-CB 4.47Å; H33-N40 HydrophobicContact CB-CB 4.11Å; H33-N40 WeakPolarHBondContact CB-O 3.41Å; H33-N40 PolarHBondContact N-O 2.86Å; H33-N40 PolarHBondContact O-N 2.76Å; N40-N58 PolarHBondContact ND2-OD1 2.9Å; N40-N58 PolarHBondContact OD1-OD1 2.82Å
41	I	89.4	Confident	78.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.1	-179.1	-57.1	171.5	0	0	0	107.6	L30 G31 I32 N58 E59 I61 I85 V88 I89 L92	L30-I41 HydrophobicContact CD1-CG2 3.99Å; G31-I41 WeakPolarHBondContact O-CA 3.39Å; I32-I41 HydrophobicContact CD1-CG1 4.48Å; I32-I41 HydrophobicContact CG1-CG1 4.29Å; I41-N58 CarbonylContact O-C 3.41Å; I41-N58 WeakPolarHBondContact O-CA 3.27Å; I41-E59 PolarHBondContact N-O 3.2Å; I41-E59 PolarHBondContact O-N 2.71Å; I41-I61 HydrophobicContact CD1-CD1 3.4Å; I41-I61 VanDerWaalsContact CD1-CD1 3.4Å; I41-I61 HydrophobicContact CD1-CG1 4.45Å; I41-I61 HydrophobicContact CG1-CD1 4.37Å; I41-I85 HydrophobicContact CG2-CG2 4.24Å; I41-V88 HydrophobicContact CD1-CB 4.05Å; I41-V88 HydrophobicContact CD1-CG1 3.6Å; I41-V88 HydrophobicContact CG1-CG1 4.23Å; I41-I89 HydrophobicContact CD1-CG1 4.16Å; I41-L92 HydrophobicContact CD1-CD1 4.44Å
42	T	88.5	Confident	77	Confident	25 Å²	25	54.9 Å²	54.9	15%	0.153	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.9	178.2	54.4	0	0	0	0	109.4	G31 Y57 N58	G31-T42 WeakPolarHBondContact CA-OG1 3.45Å; G31-T42 PolarHBondContact N-O 3.42Å; G31-T42 PolarHBondContact O-N 2.89Å; G31-T42 PolarHBondContact O-OG1 3.2Å; T42-Y57 CarbonylContact C-O 3.54Å; T42-Y57 VanDerWaalsContact CA-O 3.27Å; T42-Y57 WeakPolarHBondContact CA-O 3.45Å; T42-N58 WeakPolarHBondContact CG2-OD1 3.2Å
43	L	86.1	Confident	75.6	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.8	169.2	176.1	63.4	0	0	0	107.8	L16 L30 N56 Y57 P82 I85	L16-L43 HydrophobicContact CD1-CD1 3.47Å; L16-L43 VanDerWaalsContact CD1-CD1 3.47Å; L30-L43 HydrophobicContact CB-CD1 4.28Å; L30-L43 HydrophobicContact CD1-CB 4.18Å; L30-L43 HydrophobicContact CD1-CD1 4.17Å; L43-N56 WeakPolarHBondContact O-CA 3.44Å; L43-Y57 HydrophobicContact CD2-CD2 4.2Å; L43-Y57 PolarHBondContact N-O 3.39Å; L43-Y57 PolarHBondContact O-N 3.3Å; L43-P82 HydrophobicContact CD2-CB 4.08Å; L43-P82 HydrophobicContact CD2-CG 4.18Å; L43-I85 HydrophobicContact CB-CD1 3.86Å; L43-I85 HydrophobicContact CB-CG1 4.05Å; L43-I85 HydrophobicContact CD2-CD1 3.97Å; L43-I85 HydrophobicContact CD2-CG1 3.98Å
44	Q	83.9	Confident	74.4	Confident	102 Å²	102	63.2 Å²	63.2	48%	0.477	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	110.2	176.2	-63.1	-179.5	13.1	0	0	107.9	G28 I29	G28-Q44 CarbonylContact C-O 3.43Å; G28-Q44 WeakPolarHBondContact CA-O 3.48Å; I29-Q44 PolarHBondContact N-O 3.24Å; I29-Q44 PolarHBondContact O-N 2.93Å
45	G	77.5	Confident	73.6	Confident	7 Å²	7	63 Å²	63	7%	0.072	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.9	-179.7	0	0	0	0	0	112.3	L27 M55	L27-G45 VanDerWaalsContact O-CA 3.26Å; L27-G45 WeakPolarHBondContact O-CA 3.33Å; G45-M55 PolarHBondContact N-O 2.82Å; G45-M55 PolarHBondContact O-N 2.89Å
46	S	67.9	Low	73.4	Confident	50 Å²	50	67.9 Å²	67.9	35%	0.35	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.9	165	-175	0	0	0	0	106.8	L27 E48	L27-S46 PolarHBondContact O-N 3.43Å; S46-E48 PolarHBondContact O-N 3.34Å
47	T	63.2	Low	73.4	Confident	18 Å²	18	69.4 Å²	69.4	11%	0.11	35%	0.353	C	S	.	.			trans	-71.1	127.6	170.9	-157.7	0	0	0	0	108.1	K49 N50	T47-K49 PolarHBondContact O-N 3.26Å; T47-K49 VanDerWaalsContact O-N 3.1Å; T47-N50 HydrophobicContact CG2-CB 4.05Å
48	E	61.8	Low	73.7	Confident	144 Å²	144	71.3 Å²	71.3	67%	0.673	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.5	179.9	-63.6	178	-156.7	0	0	112	L27 S46	L27-E48 HydrophobicContact CD1-CG 3.99Å; L27-E48 WeakPolarHBondContact CD1-OE1 3.48Å; L27-E48 HydrophobicContact CG-CG 4.48Å; L27-E48 WeakPolarHBondContact CG-OE1 3.38Å; S46-E48 PolarHBondContact O-N 3.34Å
49	K	60.5	Low	73.8	Confident	141 Å²	141	72.4 Å²	72.4	61%	0.613	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-19.5	-170.1	-65.7	-178.8	-177.6	171.8	0	114.9	T47	T47-K49 PolarHBondContact O-N 3.26Å; T47-K49 VanDerWaalsContact O-N 3.1Å
50	N	54.1	Low	73.8	Confident	102 Å²	102	77.4 Å²	77.4	55%	0.545	38%	0.381	S	S	.	.			trans	-151.5	110.5	-178.2	-81.6	-46.5	0	0	0	109.9	T47 H52	T47-N50 HydrophobicContact CG2-CB 4.05Å; N50-H52 PolarHBondContact O-N 3.37Å
51	S	54.4	Low	73.6	Confident	95 Å²	95	76.7 Å²	76.7	66%	0.664	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-4.3	-179.1	53.4	0	0	0	0	115.6
52	H	54.8	Low	73.4	Confident	174 Å²	174	82 Å²	82	81%	0.806	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-13.7	-172.9	-87.3	-83.7	0	0	0	115.1	N50	N50-H52 PolarHBondContact O-N 3.37Å
53	E	59.9	Low	72.9	Confident	116 Å²	116	81.6 Å²	81.6	54%	0.542	40%	0.395	S	S	.	.			trans	-109.3	79.1	-177.7	-62.5	-173.1	-161.5	0	0	110.3	M55	E53-M55 PolarHBondContact O-N 2.94Å
54	F	64.1	Low	72.3	Confident	166 Å²	166	86.1 Å²	86.1	73%	0.728	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	103.2	161.2	-82.5	-83.9	0	0	0	108	N56	F54-N56 PolarHBondContact O-N 2.82Å
55	M	70.3	Confident	71.8	Confident	44 Å²	44	84.9 Å²	84.9	22%	0.217	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	99.2	-175.5	-173.5	172	-80.1	0	0	108.2	G45 E53 Y57	G45-M55 PolarHBondContact N-O 2.82Å; G45-M55 PolarHBondContact O-N 2.89Å; E53-M55 PolarHBondContact O-N 2.94Å; M55-Y57 HydrophobicContact CE-CE2 4.5Å; M55-Y57 HydrophobicContact CG-CD2 3.7Å; M55-Y57 HydrophobicContact CG-CE2 3.12Å; M55-Y57 HydrophobicContact SD-CD2 4.38Å; M55-Y57 HydrophobicContact SD-CE2 3.44Å; M55-Y57 WeakPolarHBondContact SD-CE2 3.25Å
56	N	80.8	Confident	71.6	Confident	103 Å²	103	88 Å²	88	55%	0.551	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	107.6	176.5	-168.3	-29.9	0	0	0	109.5	L43 F54	L43-N56 WeakPolarHBondContact O-CA 3.44Å; F54-N56 PolarHBondContact O-N 2.82Å
57	Y	83.8	Confident	72.2	Confident	75 Å²	75	93.5 Å²	93.5	29%	0.294	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.1	170.9	-66.9	-79.8	0	0	0	110	T42 L43 M55 L81 P82 I85	T42-Y57 CarbonylContact C-O 3.54Å; T42-Y57 VanDerWaalsContact CA-O 3.27Å; T42-Y57 WeakPolarHBondContact CA-O 3.45Å; L43-Y57 HydrophobicContact CD2-CD2 4.2Å; L43-Y57 PolarHBondContact N-O 3.39Å; L43-Y57 PolarHBondContact O-N 3.3Å; M55-Y57 HydrophobicContact CE-CE2 4.5Å; M55-Y57 HydrophobicContact CG-CD2 3.7Å; M55-Y57 HydrophobicContact CG-CE2 3.12Å; M55-Y57 HydrophobicContact SD-CD2 4.38Å; M55-Y57 HydrophobicContact SD-CE2 3.44Å; M55-Y57 WeakPolarHBondContact SD-CE2 3.25Å; Y57-L81 HydrophobicContact CD1-CD2 3.98Å; Y57-L81 HydrophobicContact CE1-CD2 4.36Å; Y57-P82 HydrophobicContact CD2-CG 3.71Å; Y57-P82 HydrophobicContact CE2-CG 3.21Å; Y57-P82 HydrophobicContact CG-CG 4.5Å; Y57-I85 VanDerWaalsContact CB-CD1 3.44Å; Y57-I85 HydrophobicContact CD2-CD1 4.09Å; Y57-I85 HydrophobicContact CG-CD1 3.84Å
58	N	87.8	Confident	73.1	Confident	94 Å²	94	94.8 Å²	94.8	50%	0.503	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	96.5	174.4	-178.2	47.5	0	0	0	108.3	N40 I41 T42	N40-N58 PolarHBondContact ND2-OD1 2.9Å; N40-N58 PolarHBondContact OD1-OD1 2.82Å; I41-N58 CarbonylContact O-C 3.41Å; I41-N58 WeakPolarHBondContact O-CA 3.27Å; T42-N58 WeakPolarHBondContact CG2-OD1 3.2Å
59	E	86.4	Confident	74.1	Confident	40 Å²	40	88.1 Å²	88.1	19%	0.187	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.9	178.9	-74.7	-69.2	173.7	0	0	109.7	I41 K79 L81 I85	I41-E59 PolarHBondContact N-O 3.2Å; I41-E59 PolarHBondContact O-N 2.71Å; E59-K79 IonicContact OE1-NZ 2.66Å; E59-K79 PolarHBondContact OE1-NZ 3.42Å; E59-K79 IonicContact OE2-NZ 3.44Å; E59-K79 PolarHBondContact OE2-NZ 3.05Å; E59-L81 HydrophobicContact CG-CD1 4.05Å; E59-L81 HydrophobicContact CG-CD2 3.75Å; E59-I85 HydrophobicContact CB-CG2 4.4Å; E59-I85 HydrophobicContact CG-CG2 4.41Å
60	R	86.9	Confident	75.3	Confident	105 Å²	105	86.4 Å²	86.4	40%	0.396	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.1	177.9	-175.5	-174	-65.6	-173.2	-1.2	109.8	C38 A39 Y62	C38-R60 HydrophobicContact CB-CG 4.43Å; A39-R60 WeakPolarHBondContact O-CA 3.16Å; R60-Y62 VanDerWaalsContact CD-OH 3.27Å; R60-Y62 WeakPolarHBondContact CD-OH 3.21Å; R60-Y62 HydrophobicContact CG-CE2 4.33Å
61	I	84.4	Confident	76.9	Confident	4 Å²	4	89.3 Å²	89.3	2%	0.021	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.7	-175	-53.9	173.1	0	0	0	108.5	C38 A39 I41 I69 N72 I89 L92	C38-I61 CarbonylContact C-O 3.48Å; C38-I61 WeakPolarHBondContact CA-O 3.43Å; C38-I61 WeakPolarHBondContact CB-O 3.37Å; A39-I61 PolarHBondContact N-O 3.44Å; A39-I61 PolarHBondContact O-N 3.21Å; I41-I61 HydrophobicContact CD1-CD1 3.4Å; I41-I61 VanDerWaalsContact CD1-CD1 3.4Å; I41-I61 HydrophobicContact CD1-CG1 4.45Å; I41-I61 HydrophobicContact CG1-CD1 4.37Å; I61-I69 HydrophobicContact CG2-CD1 4.36Å; I61-I69 HydrophobicContact CG2-CG1 4.14Å; I61-N72 HydrophobicContact CG2-CB 4.22Å; I61-I89 HydrophobicContact CD1-CB 4.03Å; I61-I89 HydrophobicContact CD1-CD1 3.48Å; I61-I89 VanDerWaalsContact CD1-CD1 3.48Å; I61-I89 HydrophobicContact CD1-CG1 3.38Å; I61-I89 HydrophobicContact CD1-CG2 3.93Å; I61-I89 HydrophobicContact CG1-CD1 4.26Å; I61-L92 HydrophobicContact CD1-CD1 4.49Å
62	Y	84.5	Confident	78.4	Confident	111 Å²	111	86.7 Å²	86.7	44%	0.435	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.2	171.4	-59.9	-84.9	0	0	0	109.1	C38 R60 N72	C38-Y62 HydrophobicContact CB-CD1 3.8Å; C38-Y62 HydrophobicContact CB-CE1 4.05Å; R60-Y62 VanDerWaalsContact CD-OH 3.27Å; R60-Y62 WeakPolarHBondContact CD-OH 3.21Å; R60-Y62 HydrophobicContact CG-CE2 4.33Å; Y62-N72 PolarHBondContact O-ND2 3.1Å; Y62-N72 VanDerWaalsContact O-ND2 3.13Å
63	F	77	Confident	80	Confident	16 Å²	16	79.1 Å²	79.1	7%	0.07	37%	0.373	C	S	.	.			trans	-118.3	32.9	178.5	45.8	-106.7	0	0	0	112.1	I34 G35 L36 S37 C38 A39 D65 I69 Y105 R106	I34-F63 HydrophobicContact CG2-CE1 4.41Å; I34-F63 HydrophobicContact CG2-CZ 4.17Å; G35-F63 WeakPolarHBondContact O-CZ 3.28Å; L36-F63 WeakPolarHBondContact O-CE2 3.41Å; S37-F63 VanDerWaalsContact CA-CE2 3.47Å; S37-F63 WeakPolarHBondContact O-CD2 3.46Å; S37-F63 PolarHBondContact O-N 3.33Å; C38-F63 VanDerWaalsContact CA-CE1 3.47Å; A39-F63 HydrophobicContact CB-CD1 4.36Å; A39-F63 HydrophobicContact CB-CE1 3.94Å; A39-F63 VanDerWaalsContact N-CE1 3.31Å; F63-D65 PolarHBondContact O-N 3.27Å; F63-I69 HydrophobicContact CB-CD1 4.33Å; F63-Y105 AromaticContact CE2-CD1 3.76Å; F63-Y105 HydrophobicContact CE2-CD1 3.76Å; F63-Y105 AromaticContact CE2-CE1 3.82Å; F63-Y105 HydrophobicContact CE2-CE1 3.82Å; F63-Y105 AromaticContact CZ-CD1 3.95Å; F63-Y105 HydrophobicContact CZ-CD1 3.95Å; F63-Y105 AromaticContact CZ-CE1 3.67Å; F63-Y105 HydrophobicContact CZ-CE1 3.67Å; F63-R106 HydrophobicContact CD2-CG 3.83Å; F63-R106 WeakPolarHBondContact O-CD 3.29Å; F63-R106 VanDerWaalsContact O-CG 3.25Å; F63-R106 WeakPolarHBondContact O-CG 3.41Å
64	T	73.6	Confident	81.5	Confident	102 Å²	102	77.1 Å²	77.1	63%	0.626	37%	0.365	S	S	*	.	S	Bend	trans	-59.1	-36.8	178.7	-43.6	0	0	0	0	112.1
65	D	74.1	Confident	82.7	Confident	76 Å²	76	72.7 Å²	72.7	41%	0.406	35%	0.349	S	S	.	.	S	Bend	trans	-137.4	151.3	177	-173.2	18.2	0	0	0	112.1	F63 K67 T68 I69	F63-D65 PolarHBondContact O-N 3.27Å; D65-K67 PolarHBondContact O-N 3.47Å; D65-T68 HydrophobicContact CB-CG2 3.98Å; D65-T68 PolarHBondContact N-OG1 3.05Å; D65-T68 PolarHBondContact O-N 3.05Å; D65-T68 PolarHBondContact O-OG1 2.87Å; D65-I69 PolarHBondContact O-N 3.32Å
66	V	73.3	Confident	83.5	Confident	71 Å²	71	70.9 Å²	70.9	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-56.6	-37.5	175.9	-176.9	0	0	0	0	110.5	T68 I69 H70	V66-T68 VanDerWaalsContact C-N 3.33Å; V66-T68 PolarHBondContact O-N 3.13Å; V66-I69 WeakPolarHBondContact O-CG2 3.46Å; V66-H70 PolarHBondContact O-N 2.7Å
67	K	79.9	Confident	83.9	Confident	166 Å²	166	70.5 Å²	70.5	72%	0.722	34%	0.338	S	S	*	.	H	α-helix	trans	-69.3	-33.8	178.8	-62.9	179.1	-177.9	177	0	112.1	D65 R71	D65-K67 PolarHBondContact O-N 3.47Å; K67-R71 PolarHBondContact O-N 2.81Å
68	T	82.7	Confident	84.1	Confident	46 Å²	46	74.8 Å²	74.8	28%	0.282	36%	0.36	S	S	.	.	H	α-helix	trans	-69.3	-39.7	-180	59.1	0	0	0	0	111.8	D65 V66 H70 R71 N72	D65-T68 HydrophobicContact CB-CG2 3.98Å; D65-T68 PolarHBondContact N-OG1 3.05Å; D65-T68 PolarHBondContact O-N 3.05Å; D65-T68 PolarHBondContact O-OG1 2.87Å; V66-T68 VanDerWaalsContact C-N 3.33Å; V66-T68 PolarHBondContact O-N 3.13Å; T68-H70 PolarHBondContact O-N 3.17Å; T68-R71 WeakPolarHBondContact O-CB 3.21Å; T68-R71 PolarHBondContact O-N 2.79Å; T68-N72 PolarHBondContact O-N 2.96Å; T68-N72 PolarHBondContact O-ND2 3.31Å
69	I	83.2	Confident	84.1	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-68.3	-37.6	178.1	-166.3	161	0	0	0	112.1	I61 F63 D65 V66 R71 N72 L73 L92 A93	I61-I69 HydrophobicContact CG2-CD1 4.36Å; I61-I69 HydrophobicContact CG2-CG1 4.14Å; F63-I69 HydrophobicContact CB-CD1 4.33Å; D65-I69 PolarHBondContact O-N 3.32Å; V66-I69 WeakPolarHBondContact O-CG2 3.46Å; I69-R71 VanDerWaalsContact C-N 3.35Å; I69-R71 PolarHBondContact O-N 2.68Å; I69-N72 PolarHBondContact O-N 2.95Å; I69-L73 PolarHBondContact O-N 3.33Å; I69-L92 HydrophobicContact CD1-CB 3.74Å; I69-A93 HydrophobicContact CD1-CB 4.35Å; I69-A93 HydrophobicContact CG1-CB 3.95Å; I69-A93 HydrophobicContact CG2-CB 4.26Å
70	H	85.6	Confident	84	Confident	104 Å²	104	77.4 Å²	77.4	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-65.7	-38.2	174.9	-168.3	69.7	0	0	0	112.1	V66 T68 L73 L74	V66-H70 PolarHBondContact O-N 2.7Å; T68-H70 PolarHBondContact O-N 3.17Å; H70-L73 WeakPolarHBondContact O-CB 3.42Å; H70-L73 PolarHBondContact O-N 2.84Å; H70-L74 WeakPolarHBondContact O-CG 3.49Å; H70-L74 PolarHBondContact O-N 3.25Å
71	R	88.2	Confident	83.8	Confident	163 Å²	163	73.2 Å²	73.2	62%	0.615	37%	0.369	S	S	*	.	H	α-helix	trans	-60.4	-47.8	172	-171.4	109.2	68.6	86.5	2.2	111.3	K67 T68 I69 L73 L74 D75	K67-R71 PolarHBondContact O-N 2.81Å; T68-R71 WeakPolarHBondContact O-CB 3.21Å; T68-R71 PolarHBondContact O-N 2.79Å; I69-R71 VanDerWaalsContact C-N 3.35Å; I69-R71 PolarHBondContact O-N 2.68Å; R71-L73 PolarHBondContact O-N 3.12Å; R71-L74 PolarHBondContact O-N 3.19Å; R71-L74 VanDerWaalsContact O-N 3.1Å; R71-D75 WeakPolarHBondContact O-CB 3.18Å; R71-D75 VanDerWaalsContact O-CG 3.22Å; R71-D75 PolarHBondContact O-N 2.94Å
72	N	86.2	Confident	83.6	Confident	40 Å²	40	73.3 Å²	73.3	21%	0.214	37%	0.37	C	S	.	.	H	α-helix	trans	-59.2	-36.3	177.9	-65.5	-26.7	0	0	0	111.9	I61 Y62 T68 I69 S76	I61-N72 HydrophobicContact CG2-CB 4.22Å; Y62-N72 PolarHBondContact O-ND2 3.1Å; Y62-N72 VanDerWaalsContact O-ND2 3.13Å; T68-N72 PolarHBondContact O-N 2.96Å; T68-N72 PolarHBondContact O-ND2 3.31Å; I69-N72 PolarHBondContact O-N 2.95Å; N72-S76 VanDerWaalsContact O-CB 3.29Å; N72-S76 WeakPolarHBondContact O-CB 3.19Å; N72-S76 PolarHBondContact O-N 3.5Å; N72-S76 PolarHBondContact O-OG 3.47Å
73	L	87.8	Confident	83.7	Confident	16 Å²	16	72.7 Å²	72.7	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-48.1	173.8	179.8	64.4	0	0	0	111.8	I69 H70 R71 S76 L77 I86 I89 E90 A93	I69-L73 PolarHBondContact O-N 3.33Å; H70-L73 WeakPolarHBondContact O-CB 3.42Å; H70-L73 PolarHBondContact O-N 2.84Å; R71-L73 PolarHBondContact O-N 3.12Å; L73-S76 WeakPolarHBondContact O-CB 3.34Å; L73-S76 PolarHBondContact O-N 2.9Å; L73-L77 HydrophobicContact CG-CD1 4.3Å; L73-L77 WeakPolarHBondContact O-CG 3.19Å; L73-L77 PolarHBondContact O-N 3Å; L73-I86 HydrophobicContact CD1-CG2 4.12Å; L73-I89 HydrophobicContact CB-CG2 3.88Å; L73-I89 HydrophobicContact CD1-CB 3.93Å; L73-I89 HydrophobicContact CD1-CG2 3.78Å; L73-I89 HydrophobicContact CG-CG2 4.43Å; L73-E90 HydrophobicContact CD1-CB 4.14Å; L73-A93 HydrophobicContact CD2-CB 4.26Å
74	L	90.1	Very high	84	Confident	73 Å²	73	72.6 Å²	72.6	38%	0.382	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-45.7	176.7	-68.1	174.7	0	0	0	111.3	H70 R71 S76 L77 H78	H70-L74 WeakPolarHBondContact O-CG 3.49Å; H70-L74 PolarHBondContact O-N 3.25Å; R71-L74 PolarHBondContact O-N 3.19Å; R71-L74 VanDerWaalsContact O-N 3.1Å; L74-S76 PolarHBondContact O-N 3.34Å; L74-L77 WeakPolarHBondContact O-CB 3.42Å; L74-L77 PolarHBondContact O-N 3.28Å; L74-L77 VanDerWaalsContact O-N 3.17Å; L74-H78 PolarHBondContact O-CD2 2.81Å; L74-H78 PolarHBondContact O-N 3.47Å
75	D	90.1	Very high	84.6	Confident	74 Å²	74	67.7 Å²	67.7	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-38.1	176.8	-66	-21.4	0	0	0	110.8	R71 H78 K79	R71-D75 WeakPolarHBondContact O-CB 3.18Å; R71-D75 VanDerWaalsContact O-CG 3.22Å; R71-D75 PolarHBondContact O-N 2.94Å; D75-H78 PolarHBondContact O-N 3.28Å; D75-K79 VanDerWaalsContact O-CG 3.28Å; D75-K79 WeakPolarHBondContact O-CG 3.33Å; D75-K79 PolarHBondContact O-N 3.48Å
76	S	86.6	Confident	85.3	Confident	5 Å²	5	65 Å²	65	4%	0.035	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-37.1	178	-61.3	0	0	0	0	113.1	N72 L73 L74 K79 G80 L81 I89	N72-S76 VanDerWaalsContact O-CB 3.29Å; N72-S76 WeakPolarHBondContact O-CB 3.19Å; N72-S76 PolarHBondContact O-N 3.5Å; N72-S76 PolarHBondContact O-OG 3.47Å; L73-S76 WeakPolarHBondContact O-CB 3.34Å; L73-S76 PolarHBondContact O-N 2.9Å; L74-S76 PolarHBondContact O-N 3.34Å; S76-K79 PolarHBondContact O-N 2.89Å; S76-G80 PolarHBondContact O-N 3.05Å; S76-L81 PolarHBondContact O-N 2.82Å; S76-I89 WeakPolarHBondContact OG-CD1 3.26Å
77	L	88.9	Confident	85.9	Confident	95 Å²	95	62.9 Å²	62.9	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-65.4	-41	172	-71.7	164.4	0	0	0	111.1	L73 L74 G80 I86	L73-L77 HydrophobicContact CG-CD1 4.3Å; L73-L77 WeakPolarHBondContact O-CG 3.19Å; L73-L77 PolarHBondContact O-N 3Å; L74-L77 WeakPolarHBondContact O-CB 3.42Å; L74-L77 PolarHBondContact O-N 3.28Å; L74-L77 VanDerWaalsContact O-N 3.17Å; L77-G80 PolarHBondContact O-N 2.81Å; L77-I86 HydrophobicContact CD2-CD1 4.16Å; L77-I86 HydrophobicContact CD2-CG2 3.81Å; L77-I86 HydrophobicContact CG-CG2 4.34Å
78	H	89.2	Confident	86.2	Confident	165 Å²	165	56.4 Å²	56.4	76%	0.764	29%	0.286	S	S	*	.	H	α-helix	trans	-65.8	-37.6	176.5	-82.3	-71.9	0	0	0	113.1	L74 D75 G80	L74-H78 PolarHBondContact O-CD2 2.81Å; L74-H78 PolarHBondContact O-N 3.47Å; D75-H78 PolarHBondContact O-N 3.28Å; H78-G80 PolarHBondContact O-N 2.82Å
79	K	87.4	Confident	86.4	Confident	130 Å²	130	54.2 Å²	54.2	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-66.9	-21.7	175.4	-74	172.2	178.2	-176	0	113.3	E59 D75 S76 L81	E59-K79 IonicContact OE1-NZ 2.66Å; E59-K79 PolarHBondContact OE1-NZ 3.42Å; E59-K79 IonicContact OE2-NZ 3.44Å; E59-K79 PolarHBondContact OE2-NZ 3.05Å; D75-K79 VanDerWaalsContact O-CG 3.28Å; D75-K79 WeakPolarHBondContact O-CG 3.33Å; D75-K79 PolarHBondContact O-N 3.48Å; S76-K79 PolarHBondContact O-N 2.89Å; K79-L81 HydrophobicContact CB-CD1 4.35Å; K79-L81 HydrophobicContact CB-CG 4.39Å; K79-L81 HydrophobicContact CD-CD1 4.12Å
80	G	83.7	Confident	86.5	Confident	60 Å²	60	58.8 Å²	58.8	62%	0.619	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	39	-175.3	0	0	0	0	0	113.3	S76 L77 H78	S76-G80 PolarHBondContact O-N 3.05Å; L77-G80 PolarHBondContact O-N 2.81Å; H78-G80 PolarHBondContact O-N 2.82Å
81	L	83.4	Confident	86.4	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.084	30%	0.303	C	S	.	.			trans	-59.8	154.5	175.7	-81.6	149	0	0	0	111.9	Y57 E59 S76 K79 Y83 I85 I86	Y57-L81 HydrophobicContact CD1-CD2 3.98Å; Y57-L81 HydrophobicContact CE1-CD2 4.36Å; E59-L81 HydrophobicContact CG-CD1 4.05Å; E59-L81 HydrophobicContact CG-CD2 3.75Å; S76-L81 PolarHBondContact O-N 2.82Å; K79-L81 HydrophobicContact CB-CD1 4.35Å; K79-L81 HydrophobicContact CB-CG 4.39Å; K79-L81 HydrophobicContact CD-CD1 4.12Å; L81-Y83 PolarHBondContact O-N 3.03Å; L81-I85 HydrophobicContact CD2-CD1 4.12Å; L81-I86 HydrophobicContact CB-CD1 4.09Å; L81-I86 HydrophobicContact CB-CG1 3.9Å; L81-I86 WeakPolarHBondContact O-CD1 3.08Å
82	P	81	Confident	86	Confident	7 Å²	7	57 Å²	57	5%	0.045	29%	0.287	C	S	.	.			trans	-53.2	138.8	172.1	-22.5	30.2	0	0	0	111	L43 Y57 P84 I85 I86	L43-P82 HydrophobicContact CD2-CB 4.08Å; L43-P82 HydrophobicContact CD2-CG 4.18Å; Y57-P82 HydrophobicContact CD2-CG 3.71Å; Y57-P82 HydrophobicContact CE2-CG 3.21Å; Y57-P82 HydrophobicContact CG-CG 4.5Å; P82-P84 VanDerWaalsContact C-N 3.3Å; P82-P84 VanDerWaalsContact O-N 3.16Å; P82-I85 HydrophobicContact CG-CD1 4.35Å; P82-I85 PolarHBondContact O-N 2.97Å; P82-I85 VanDerWaalsContact O-N 3.1Å; P82-I86 PolarHBondContact O-N 3.19Å
83	Y	85.2	Confident	85.6	Confident	97 Å²	97	56 Å²	56	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-49.3	-42	-177.8	-177.1	-109.5	0	0	0	114.4	L18 L81 I85 I86 T87	L18-Y83 PolarHBondContact O-N 3.12Å; L81-Y83 PolarHBondContact O-N 3.03Å; Y83-I85 VanDerWaalsContact C-N 3.31Å; Y83-I85 PolarHBondContact O-N 3.27Å; Y83-I86 PolarHBondContact O-N 3.13Å; Y83-I86 VanDerWaalsContact O-N 3.13Å; Y83-T87 WeakPolarHBondContact CE1-OG1 3.44Å; Y83-T87 PolarHBondContact O-N 3.22Å; Y83-T87 PolarHBondContact O-OG1 3.3Å; Y83-T87 VanDerWaalsContact O-OG1 3.05Å
84	P	83.5	Confident	85	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-40.8	-179.4	-24.7	33.6	0	0	0	113.6	L16 D17 L30 P82 T87 V88	L16-P84 HydrophobicContact CB-CG 3.7Å; L16-P84 HydrophobicContact CD1-CB 4.17Å; L16-P84 HydrophobicContact CD1-CG 4.08Å; L16-P84 HydrophobicContact CD2-CB 3.99Å; L16-P84 HydrophobicContact CD2-CG 3.93Å; L16-P84 HydrophobicContact CG-CB 4.47Å; L16-P84 HydrophobicContact CG-CG 4.11Å; D17-P84 WeakPolarHBondContact O-CD 3.28Å; L30-P84 HydrophobicContact CD2-CB 4.49Å; P82-P84 VanDerWaalsContact C-N 3.3Å; P82-P84 VanDerWaalsContact O-N 3.16Å; P84-T87 PolarHBondContact O-N 3.19Å; P84-V88 WeakPolarHBondContact O-CG2 3.48Å; P84-V88 PolarHBondContact O-N 3.1Å
85	I	86.9	Confident	83.8	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-50.1	178.8	-60.2	177.9	0	0	0	108.4	I41 L43 Y57 E59 L81 P82 Y83 T87 V88 I89	I41-I85 HydrophobicContact CG2-CG2 4.24Å; L43-I85 HydrophobicContact CB-CD1 3.86Å; L43-I85 HydrophobicContact CB-CG1 4.05Å; L43-I85 HydrophobicContact CD2-CD1 3.97Å; L43-I85 HydrophobicContact CD2-CG1 3.98Å; Y57-I85 VanDerWaalsContact CB-CD1 3.44Å; Y57-I85 HydrophobicContact CD2-CD1 4.09Å; Y57-I85 HydrophobicContact CG-CD1 3.84Å; E59-I85 HydrophobicContact CB-CG2 4.4Å; E59-I85 HydrophobicContact CG-CG2 4.41Å; L81-I85 HydrophobicContact CD2-CD1 4.12Å; P82-I85 HydrophobicContact CG-CD1 4.35Å; P82-I85 PolarHBondContact O-N 2.97Å; P82-I85 VanDerWaalsContact O-N 3.1Å; Y83-I85 VanDerWaalsContact C-N 3.31Å; Y83-I85 PolarHBondContact O-N 3.27Å; I85-T87 VanDerWaalsContact C-N 3.29Å; I85-T87 PolarHBondContact O-N 3.29Å; I85-V88 WeakPolarHBondContact O-CB 3.49Å; I85-V88 PolarHBondContact O-N 3.02Å; I85-I89 HydrophobicContact CG2-CD1 4.29Å; I85-I89 HydrophobicContact CG2-CG1 4.44Å; I85-I89 VanDerWaalsContact O-CG1 3.25Å; I85-I89 WeakPolarHBondContact O-CG1 3.48Å; I85-I89 PolarHBondContact O-N 3.49Å
86	I	88.3	Confident	82	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-56.7	-43.4	-179.9	-61.8	176.5	0	0	0	111	L73 L77 L81 P82 Y83 V88 I89 E90	L73-I86 HydrophobicContact CD1-CG2 4.12Å; L77-I86 HydrophobicContact CD2-CD1 4.16Å; L77-I86 HydrophobicContact CD2-CG2 3.81Å; L77-I86 HydrophobicContact CG-CG2 4.34Å; L81-I86 HydrophobicContact CB-CD1 4.09Å; L81-I86 HydrophobicContact CB-CG1 3.9Å; L81-I86 WeakPolarHBondContact O-CD1 3.08Å; P82-I86 PolarHBondContact O-N 3.19Å; Y83-I86 PolarHBondContact O-N 3.13Å; Y83-I86 VanDerWaalsContact O-N 3.13Å; I86-V88 VanDerWaalsContact C-N 3.33Å; I86-V88 PolarHBondContact O-N 2.73Å; I86-I89 WeakPolarHBondContact O-CB 3.45Å; I86-I89 PolarHBondContact O-N 3.01Å; I86-I89 VanDerWaalsContact O-N 3.12Å; I86-E90 WeakPolarHBondContact O-CB 3.45Å; I86-E90 PolarHBondContact O-N 2.78Å
87	T	85.7	Confident	80.6	Confident	28 Å²	28	67 Å²	67	17%	0.172	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-43.4	176.9	-59.1	0	0	0	0	111.6	Y83 P84 I85 I89 E90 Y91	Y83-T87 WeakPolarHBondContact CE1-OG1 3.44Å; Y83-T87 PolarHBondContact O-N 3.22Å; Y83-T87 PolarHBondContact O-OG1 3.3Å; Y83-T87 VanDerWaalsContact O-OG1 3.05Å; P84-T87 PolarHBondContact O-N 3.19Å; I85-T87 VanDerWaalsContact C-N 3.29Å; I85-T87 PolarHBondContact O-N 3.29Å; T87-I89 VanDerWaalsContact C-N 3.34Å; T87-I89 PolarHBondContact O-N 3.28Å; T87-E90 PolarHBondContact O-N 2.96Å; T87-Y91 HydrophobicContact CG2-CD2 3.68Å; T87-Y91 HydrophobicContact CG2-CE2 3.53Å; T87-Y91 WeakPolarHBondContact O-CD2 3.39Å; T87-Y91 PolarHBondContact O-N 3.14Å
88	V	86.7	Confident	79.1	Confident	30 Å²	30	65.8 Å²	65.8	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-42	174.8	179.3	0	0	0	0	111.4	L30 I32 I41 P84 I85 I86 E90 Y91 L92	L30-V88 HydrophobicContact CD2-CG2 3.88Å; I32-V88 HydrophobicContact CD1-CG1 3.77Å; I41-V88 HydrophobicContact CD1-CB 4.05Å; I41-V88 HydrophobicContact CD1-CG1 3.6Å; I41-V88 HydrophobicContact CG1-CG1 4.23Å; P84-V88 WeakPolarHBondContact O-CG2 3.48Å; P84-V88 PolarHBondContact O-N 3.1Å; I85-V88 WeakPolarHBondContact O-CB 3.49Å; I85-V88 PolarHBondContact O-N 3.02Å; I86-V88 VanDerWaalsContact C-N 3.33Å; I86-V88 PolarHBondContact O-N 2.73Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 PolarHBondContact O-N 3.14Å; V88-Y91 PolarHBondContact O-N 3.27Å; V88-L92 HydrophobicContact CG1-CD1 4.24Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.49Å
89	I	86.6	Confident	77.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-44.3	175.9	-47.9	-162.4	0	0	0	110.8	I41 I61 L73 S76 I85 I86 T87 Y91 L92 A93	I41-I89 HydrophobicContact CD1-CG1 4.16Å; I61-I89 HydrophobicContact CD1-CB 4.03Å; I61-I89 HydrophobicContact CD1-CD1 3.48Å; I61-I89 VanDerWaalsContact CD1-CD1 3.48Å; I61-I89 HydrophobicContact CD1-CG1 3.38Å; I61-I89 HydrophobicContact CD1-CG2 3.93Å; I61-I89 HydrophobicContact CG1-CD1 4.26Å; L73-I89 HydrophobicContact CB-CG2 3.88Å; L73-I89 HydrophobicContact CD1-CB 3.93Å; L73-I89 HydrophobicContact CD1-CG2 3.78Å; L73-I89 HydrophobicContact CG-CG2 4.43Å; S76-I89 WeakPolarHBondContact OG-CD1 3.26Å; I85-I89 HydrophobicContact CG2-CD1 4.29Å; I85-I89 HydrophobicContact CG2-CG1 4.44Å; I85-I89 VanDerWaalsContact O-CG1 3.25Å; I85-I89 WeakPolarHBondContact O-CG1 3.48Å; I85-I89 PolarHBondContact O-N 3.49Å; I86-I89 WeakPolarHBondContact O-CB 3.45Å; I86-I89 PolarHBondContact O-N 3.01Å; I86-I89 VanDerWaalsContact O-N 3.12Å; T87-I89 VanDerWaalsContact C-N 3.34Å; T87-I89 PolarHBondContact O-N 3.28Å; I89-Y91 VanDerWaalsContact C-N 3.35Å; I89-L92 PolarHBondContact O-N 2.66Å; I89-A93 VanDerWaalsContact O-CB 3.28Å; I89-A93 WeakPolarHBondContact O-CB 3.05Å; I89-A93 PolarHBondContact O-N 3.44Å
90	E	85.5	Confident	76.6	Confident	100 Å²	100	65.4 Å²	65.4	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-42.7	178.9	-174.4	174.9	-152.2	0	0	111.1	L73 I86 T87 V88 L92 A93 A94	L73-E90 HydrophobicContact CD1-CB 4.14Å; I86-E90 WeakPolarHBondContact O-CB 3.45Å; I86-E90 PolarHBondContact O-N 2.78Å; T87-E90 PolarHBondContact O-N 2.96Å; V88-E90 VanDerWaalsContact C-N 3.33Å; V88-E90 PolarHBondContact O-N 3.14Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 3.25Å; E90-A93 PolarHBondContact O-N 3.48Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.99Å
91	Y	83.5	Confident	76	Confident	175 Å²	175	69.5 Å²	69.5	69%	0.686	36%	0.358	S	S	*	.	H	α-helix	trans	-61.5	-37.8	173.3	-88.6	-68	0	0	0	113	T87 V88 I89 A94	T87-Y91 HydrophobicContact CG2-CD2 3.68Å; T87-Y91 HydrophobicContact CG2-CE2 3.53Å; T87-Y91 WeakPolarHBondContact O-CD2 3.39Å; T87-Y91 PolarHBondContact O-N 3.14Å; V88-Y91 PolarHBondContact O-N 3.27Å; I89-Y91 VanDerWaalsContact C-N 3.35Å; Y91-A94 VanDerWaalsContact O-O 3.08Å
92	L	79.7	Confident	75.4	Confident	53 Å²	53	70.1 Å²	70.1	28%	0.277	37%	0.368	S	S	.	.	H	α-helix	trans	-73.3	-35.5	176.2	-68.1	170.5	0	0	0	112.1	I32 A39 I41 I61 I69 V88 I89 E90	I32-L92 HydrophobicContact CD1-CD1 4.09Å; I32-L92 HydrophobicContact CD1-CD2 4.47Å; A39-L92 HydrophobicContact CB-CD1 4.15Å; I41-L92 HydrophobicContact CD1-CD1 4.44Å; I61-L92 HydrophobicContact CD1-CD1 4.49Å; I69-L92 HydrophobicContact CD1-CB 3.74Å; V88-L92 HydrophobicContact CG1-CD1 4.24Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.49Å; I89-L92 PolarHBondContact O-N 2.66Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 3.25Å
93	A	78.2	Confident	75	Confident	20 Å²	20	77.9 Å²	77.9	17%	0.165	40%	0.397	C	S	.	.	H	α-helix	trans	-74.9	-42.2	-179.4	0	0	0	0	0	112	I69 L73 I89 E90 E95	I69-A93 HydrophobicContact CD1-CB 4.35Å; I69-A93 HydrophobicContact CG1-CB 3.95Å; I69-A93 HydrophobicContact CG2-CB 4.26Å; L73-A93 HydrophobicContact CD2-CB 4.26Å; I89-A93 VanDerWaalsContact O-CB 3.28Å; I89-A93 WeakPolarHBondContact O-CB 3.05Å; I89-A93 PolarHBondContact O-N 3.44Å; E90-A93 PolarHBondContact O-N 3.48Å; A93-E95 PolarHBondContact O-N 3.25Å; A93-E95 VanDerWaalsContact O-N 3.14Å
94	A	75.1	Confident	74.8	Confident	44 Å²	44	75.9 Å²	75.9	36%	0.364	40%	0.4	S	S	.	.			trans	-74.6	100.7	173	0	0	0	0	0	107.8	E90 Y91 K96	E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.99Å; Y91-A94 VanDerWaalsContact O-O 3.08Å; A94-K96 HydrophobicContact CB-CB 4.06Å; A94-K96 PolarHBondContact O-N 3.3Å
95	E	64.9	Low	74.6	Confident	86 Å²	86	76.5 Å²	76.5	40%	0.402	40%	0.401	S	S	.	.			trans	-61	15.4	160.9	-62.6	-179.6	-174.8	0	0	112.4	A93 A97 R106	A93-E95 PolarHBondContact O-N 3.25Å; A93-E95 VanDerWaalsContact O-N 3.14Å; E95-A97 PolarHBondContact O-N 3.22Å; E95-R106 IonicContact OE1-CZ 3.3Å; E95-R106 IonicContact OE1-NH1 3.55Å; E95-R106 IonicContact OE1-NH2 3.24Å; E95-R106 PolarHBondContact OE1-NH2 3.04Å
96	K	52.4	Low	74.2	Confident	194 Å²	194	78.1 Å²	78.1	84%	0.843	41%	0.407	S	S	*	.			trans	-104.2	70	-165.4	-154.9	-171.8	-178.4	-162.3	0	110	A94	A94-K96 HydrophobicContact CB-CB 4.06Å; A94-K96 PolarHBondContact O-N 3.3Å
97	A	57.3	Low	73.9	Confident	74 Å²	74	80.9 Å²	80.9	61%	0.612	42%	0.421	S	S	*	.	S	Bend	trans	-163	26.3	164.7	0	0	0	0	0	112.9	E95 F99	E95-A97 PolarHBondContact O-N 3.22Å; A97-F99 PolarHBondContact O-N 3.34Å
98	G	57.6	Low	73.9	Confident	71 Å²	71	81.9 Å²	81.9	73%	0.732	43%	0.432	S	S	*	.	S	Bend	trans	74	2.6	-172.3	0	0	0	0	0	114.1	I100	G98-I100 PolarHBondContact O-N 3.49Å
99	F	60.3	Low	73.7	Confident	137 Å²	137	80.8 Å²	80.8	60%	0.601	43%	0.427	S	S	*	.			trans	-80.3	65.4	175	-118.9	-94	0	0	0	111.4	A97 W101 G102	A97-F99 PolarHBondContact O-N 3.34Å; F99-W101 HydrophobicContact CD1-CB 4.27Å; F99-W101 HydrophobicContact CE1-CE3 4.05Å; F99-W101 PolarHBondContact O-N 2.62Å; F99-G102 PolarHBondContact O-N 3.07Å
100	I	62.8	Low	73.5	Confident	150 Å²	150	87.6 Å²	87.6	77%	0.769	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.4	173.7	57.5	168.7	0	0	0	112.9	G98 G102 R103 A104	G98-I100 PolarHBondContact O-N 3.49Å; I100-G102 PolarHBondContact O-N 3.24Å; I100-R103 PolarHBondContact O-N 3.24Å; I100-A104 PolarHBondContact O-N 3.03Å
101	W	70.5	Confident	73.6	Confident	146 Å²	146	89.7 Å²	89.7	55%	0.553	46%	0.458	S	S	*	.	H	α-helix	trans	-63.6	-26.1	179.5	-166.8	24.6	0	0	0	112.4	F99 R103 A104 Y105	F99-W101 HydrophobicContact CD1-CB 4.27Å; F99-W101 HydrophobicContact CE1-CE3 4.05Å; F99-W101 PolarHBondContact O-N 2.62Å; W101-R103 VanDerWaalsContact C-N 3.26Å; W101-R103 PolarHBondContact O-N 3.5Å; W101-A104 PolarHBondContact O-N 3.04Å; W101-Y105 HydrophobicContact CD2-CD2 4.45Å; W101-Y105 AromaticContact CE2-CD2 3.59Å; W101-Y105 HydrophobicContact CH2-CD2 4.41Å; W101-Y105 AromaticContact CZ2-CD2 3.58Å; W101-Y105 HydrophobicContact CZ2-CD2 3.58Å; W101-Y105 AromaticContact CZ2-CE2 3.98Å; W101-Y105 HydrophobicContact CZ2-CE2 3.98Å; W101-Y105 AromaticContact NE1-CD2 3.62Å; W101-Y105 WeakPolarHBondContact O-CA 3.2Å; W101-Y105 WeakPolarHBondContact O-CB 3.45Å; W101-Y105 PolarHBondContact O-N 2.97Å
102	G	71.4	Confident	73.7	Confident	29 Å²	29	83.9 Å²	83.9	30%	0.299	44%	0.441	S	S	.	.	H	α-helix	trans	-55.8	-39.1	177.8	0	0	0	0	0	113.5	F99 I100 R106	F99-G102 PolarHBondContact O-N 3.07Å; I100-G102 PolarHBondContact O-N 3.24Å; G102-R106 WeakPolarHBondContact O-CG 3.1Å; G102-R106 PolarHBondContact O-N 3.28Å; G102-R106 PolarHBondContact O-NE 3.19Å
103	R	73.6	Confident	73.8	Confident	170 Å²	170	86.9 Å²	86.9	64%	0.642	46%	0.458	S	S	*	.	H	α-helix	trans	-78.6	-42.9	175.3	-175.9	180	177.8	-150.3	-0.7	112.3	I100 W101 Y105 R106 L107	I100-R103 PolarHBondContact O-N 3.24Å; W101-R103 VanDerWaalsContact C-N 3.26Å; W101-R103 PolarHBondContact O-N 3.5Å; R103-Y105 VanDerWaalsContact C-N 3.31Å; R103-Y105 PolarHBondContact O-N 3.48Å; R103-R106 PolarHBondContact O-N 3.28Å; R103-L107 PolarHBondContact O-N 3.46Å
104	A	80.1	Confident	74.1	Confident	54 Å²	54	91.8 Å²	91.8	45%	0.446	48%	0.475	S	S	.	.	H	α-helix	trans	-65.6	-35.8	179.5	0	0	0	0	0	112.2	I100 W101 L107 A108	I100-A104 PolarHBondContact O-N 3.03Å; W101-A104 PolarHBondContact O-N 3.04Å; A104-L107 PolarHBondContact O-N 3.37Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 2.82Å
105	Y	80.1	Confident	74.7	Confident	28 Å²	28	96.6 Å²	96.6	11%	0.11	49%	0.494	C	S	.	.	H	α-helix	trans	-65.8	-41.6	176.9	-170.4	-89.7	0	0	0	111.4	V6 I34 G35 F63 W101 R103 L107 A108 G109	V6-Y105 WeakPolarHBondContact CB-OH 3.08Å; V6-Y105 WeakPolarHBondContact CG2-OH 3.41Å; I34-Y105 HydrophobicContact CG2-CE1 3.81Å; G35-Y105 VanDerWaalsContact C-OH 3.28Å; G35-Y105 WeakPolarHBondContact O-CE1 3.35Å; G35-Y105 PolarHBondContact O-OH 2.7Å; F63-Y105 AromaticContact CE2-CD1 3.76Å; F63-Y105 HydrophobicContact CE2-CD1 3.76Å; F63-Y105 AromaticContact CE2-CE1 3.82Å; F63-Y105 HydrophobicContact CE2-CE1 3.82Å; F63-Y105 AromaticContact CZ-CD1 3.95Å; F63-Y105 HydrophobicContact CZ-CD1 3.95Å; F63-Y105 AromaticContact CZ-CE1 3.67Å; F63-Y105 HydrophobicContact CZ-CE1 3.67Å; W101-Y105 HydrophobicContact CD2-CD2 4.45Å; W101-Y105 AromaticContact CE2-CD2 3.59Å; W101-Y105 HydrophobicContact CH2-CD2 4.41Å; W101-Y105 AromaticContact CZ2-CD2 3.58Å; W101-Y105 HydrophobicContact CZ2-CD2 3.58Å; W101-Y105 AromaticContact CZ2-CE2 3.98Å; W101-Y105 HydrophobicContact CZ2-CE2 3.98Å; W101-Y105 AromaticContact NE1-CD2 3.62Å; W101-Y105 WeakPolarHBondContact O-CA 3.2Å; W101-Y105 WeakPolarHBondContact O-CB 3.45Å; W101-Y105 PolarHBondContact O-N 2.97Å; R103-Y105 VanDerWaalsContact C-N 3.31Å; R103-Y105 PolarHBondContact O-N 3.48Å; Y105-L107 PolarHBondContact O-N 3.42Å; Y105-A108 PolarHBondContact O-N 3.02Å; Y105-G109 PolarHBondContact O-N 3.49Å
106	R	77.7	Confident	75.6	Confident	34 Å²	34	98.6 Å²	98.6	13%	0.128	51%	0.507	C	S	.	.	H	α-helix	trans	-58.8	-46.2	172.3	-75.2	172.9	-128.2	174.9	9.8	112.6	F63 E95 G102 R103 G109 Y110	F63-R106 HydrophobicContact CD2-CG 3.83Å; F63-R106 WeakPolarHBondContact O-CD 3.29Å; F63-R106 VanDerWaalsContact O-CG 3.25Å; F63-R106 WeakPolarHBondContact O-CG 3.41Å; E95-R106 IonicContact OE1-CZ 3.3Å; E95-R106 IonicContact OE1-NH1 3.55Å; E95-R106 IonicContact OE1-NH2 3.24Å; E95-R106 PolarHBondContact OE1-NH2 3.04Å; G102-R106 WeakPolarHBondContact O-CG 3.1Å; G102-R106 PolarHBondContact O-N 3.28Å; G102-R106 PolarHBondContact O-NE 3.19Å; R103-R106 PolarHBondContact O-N 3.28Å; R106-G109 PolarHBondContact O-N 3.48Å; R106-Y110 PolarHBondContact O-N 3.18Å
107	L	83	Confident	77	Confident	76 Å²	76	103 Å²	103	40%	0.398	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-45	177.7	-105.5	155.4	0	0	0	111.2	R103 A104 Y105 G109 Y110 Y111	R103-L107 PolarHBondContact O-N 3.46Å; A104-L107 PolarHBondContact O-N 3.37Å; Y105-L107 PolarHBondContact O-N 3.42Å; L107-G109 VanDerWaalsContact C-N 3.34Å; L107-G109 PolarHBondContact O-N 3.36Å; L107-Y110 PolarHBondContact O-N 3.4Å; L107-Y111 HydrophobicContact CD2-CD2 4.08Å; L107-Y111 HydrophobicContact CD2-CE2 3.32Å; L107-Y111 WeakPolarHBondContact O-CD2 3.17Å; L107-Y111 PolarHBondContact O-N 3.39Å
108	A	84.8	Confident	78	Confident	49 Å²	49	104.5 Å²	104.5	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-43.3	175.7	0	0	0	0	0	111.5	A104 Y105 Y111 T112	A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 2.82Å; Y105-A108 PolarHBondContact O-N 3.02Å; A108-Y111 PolarHBondContact O-N 3.26Å; A108-T112 VanDerWaalsContact O-CB 3.26Å; A108-T112 WeakPolarHBondContact O-CB 3.34Å; A108-T112 PolarHBondContact O-N 3.31Å; A108-T112 PolarHBondContact O-OG1 2.93Å
109	G	83.4	Confident	79	Confident	7 Å²	7	106.2 Å²	106.2	7%	0.072	50%	0.503	C	S	.	.	H	α-helix	trans	-61.2	-44.9	175.5	0	0	0	0	0	112.6	Y105 R106 L107 T112 D113	Y105-G109 PolarHBondContact O-N 3.49Å; R106-G109 PolarHBondContact O-N 3.48Å; L107-G109 VanDerWaalsContact C-N 3.34Å; L107-G109 PolarHBondContact O-N 3.36Å; G109-T112 PolarHBondContact O-N 3.33Å; G109-D113 WeakPolarHBondContact O-CB 3.39Å; G109-D113 PolarHBondContact O-N 3.39Å
110	Y	82.1	Confident	80.1	Confident	143 Å²	143	104.5 Å²	104.5	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-57.8	-53.7	174.4	-173	-103.4	0	0	0	111.1	R106 L107 T112 D113 F114	R106-Y110 PolarHBondContact O-N 3.18Å; L107-Y110 PolarHBondContact O-N 3.4Å; Y110-T112 VanDerWaalsContact C-N 3.34Å; Y110-T112 PolarHBondContact O-N 2.87Å; Y110-D113 WeakPolarHBondContact O-CB 3.12Å; Y110-D113 PolarHBondContact O-N 3.49Å; Y110-F114 HydrophobicContact CD1-CD2 4.02Å; Y110-F114 AromaticContact CD1-CE2 3.67Å; Y110-F114 HydrophobicContact CD1-CE2 3.67Å; Y110-F114 AromaticContact CD2-CE2 3.98Å; Y110-F114 HydrophobicContact CD2-CE2 3.98Å; Y110-F114 AromaticContact CE1-CD2 3.93Å; Y110-F114 HydrophobicContact CE1-CD2 3.93Å; Y110-F114 AromaticContact CE1-CE2 3.22Å; Y110-F114 HydrophobicContact CE1-CE2 3.22Å; Y110-F114 AromaticContact CE1-CZ 3.98Å; Y110-F114 HydrophobicContact CE1-CZ 3.98Å; Y110-F114 AromaticContact CE2-CE2 3.57Å; Y110-F114 HydrophobicContact CE2-CE2 3.57Å; Y110-F114 HydrophobicContact CE2-CZ 4.16Å; Y110-F114 HydrophobicContact CG-CD2 4.44Å; Y110-F114 HydrophobicContact CG-CE2 4.04Å; Y110-F114 AromaticContact CZ-CE2 3.17Å; Y110-F114 AromaticContact CZ-CZ 3.63Å; Y110-F114 WeakPolarHBondContact O-CD2 3.33Å; Y110-F114 PolarHBondContact O-N 2.66Å; Y110-F114 WeakPolarHBondContact OH-CZ 3.25Å
111	Y	87.4	Confident	81.1	Confident	143 Å²	143	101.8 Å²	101.8	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-36	179.7	-70.8	-58.9	0	0	0	113.8	L107 A108 D113 F114 L115	L107-Y111 HydrophobicContact CD2-CD2 4.08Å; L107-Y111 HydrophobicContact CD2-CE2 3.32Å; L107-Y111 WeakPolarHBondContact O-CD2 3.17Å; L107-Y111 PolarHBondContact O-N 3.39Å; A108-Y111 PolarHBondContact O-N 3.26Å; Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 2.82Å; Y111-F114 PolarHBondContact O-N 3.4Å; Y111-L115 WeakPolarHBondContact O-CG 3.19Å; Y111-L115 PolarHBondContact O-N 2.99Å
112	T	85.9	Confident	81.8	Confident	54 Å²	54	99.1 Å²	99.1	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-37.4	177.9	-54.9	0	0	0	0	110.7	L36 A108 G109 Y110 F114 L115 L116	L36-T112 HydrophobicContact CD2-CG2 3.7Å; A108-T112 VanDerWaalsContact O-CB 3.26Å; A108-T112 WeakPolarHBondContact O-CB 3.34Å; A108-T112 PolarHBondContact O-N 3.31Å; A108-T112 PolarHBondContact O-OG1 2.93Å; G109-T112 PolarHBondContact O-N 3.33Å; Y110-T112 VanDerWaalsContact C-N 3.34Å; Y110-T112 PolarHBondContact O-N 2.87Å; T112-F114 VanDerWaalsContact C-N 3.34Å; T112-F114 PolarHBondContact O-N 3.48Å; T112-L115 PolarHBondContact O-N 3.34Å; T112-L115 VanDerWaalsContact O-N 3.14Å; T112-L116 WeakPolarHBondContact O-CB 3.42Å; T112-L116 PolarHBondContact O-N 3.2Å
113	D	81.3	Confident	82.5	Confident	115 Å²	115	103.7 Å²	103.7	62%	0.615	49%	0.488	S	S	*	.	H	α-helix	trans	-61.2	-40.9	174	-162.3	60.7	0	0	0	111.7	G109 Y110 Y111 L115	G109-D113 WeakPolarHBondContact O-CB 3.39Å; G109-D113 PolarHBondContact O-N 3.39Å; Y110-D113 WeakPolarHBondContact O-CB 3.12Å; Y110-D113 PolarHBondContact O-N 3.49Å; Y111-D113 VanDerWaalsContact C-N 3.3Å; Y111-D113 PolarHBondContact O-N 2.82Å; D113-L115 VanDerWaalsContact C-N 3.35Å; D113-L115 PolarHBondContact O-N 2.97Å
114	F	84.6	Confident	83.1	Confident	123 Å²	123	99 Å²	99	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-33.6	172.1	-78.2	-83.3	0	0	0	113.8	Y110 Y111 T112	Y110-F114 HydrophobicContact CD1-CD2 4.02Å; Y110-F114 AromaticContact CD1-CE2 3.67Å; Y110-F114 HydrophobicContact CD1-CE2 3.67Å; Y110-F114 AromaticContact CD2-CE2 3.98Å; Y110-F114 HydrophobicContact CD2-CE2 3.98Å; Y110-F114 AromaticContact CE1-CD2 3.93Å; Y110-F114 HydrophobicContact CE1-CD2 3.93Å; Y110-F114 AromaticContact CE1-CE2 3.22Å; Y110-F114 HydrophobicContact CE1-CE2 3.22Å; Y110-F114 AromaticContact CE1-CZ 3.98Å; Y110-F114 HydrophobicContact CE1-CZ 3.98Å; Y110-F114 AromaticContact CE2-CE2 3.57Å; Y110-F114 HydrophobicContact CE2-CE2 3.57Å; Y110-F114 HydrophobicContact CE2-CZ 4.16Å; Y110-F114 HydrophobicContact CG-CD2 4.44Å; Y110-F114 HydrophobicContact CG-CE2 4.04Å; Y110-F114 AromaticContact CZ-CE2 3.17Å; Y110-F114 AromaticContact CZ-CZ 3.63Å; Y110-F114 WeakPolarHBondContact O-CD2 3.33Å; Y110-F114 PolarHBondContact O-N 2.66Å; Y110-F114 WeakPolarHBondContact OH-CZ 3.25Å; Y111-F114 PolarHBondContact O-N 3.4Å; T112-F114 VanDerWaalsContact C-N 3.34Å; T112-F114 PolarHBondContact O-N 3.48Å
115	L	87.6	Confident	83.3	Confident	145 Å²	145	102.5 Å²	102.5	76%	0.759	48%	0.48	S	S	*	.	H	α-helix	trans	-79.5	-22.9	-177.6	-73.3	170.3	0	0	0	113.4	Y111 T112 D113 W117	Y111-L115 WeakPolarHBondContact O-CG 3.19Å; Y111-L115 PolarHBondContact O-N 2.99Å; T112-L115 PolarHBondContact O-N 3.34Å; T112-L115 VanDerWaalsContact O-N 3.14Å; D113-L115 VanDerWaalsContact C-N 3.35Å; D113-L115 PolarHBondContact O-N 2.97Å; L115-W117 VanDerWaalsContact C-N 3.32Å
116	L	84.5	Confident	83.6	Confident	129 Å²	129	108.7 Å²	108.7	68%	0.675	51%	0.511	S	S	*	.			trans	-85.5	-8.3	-178	-151.7	134	0	0	0	112.7	L4 T112	L4-L116 HydrophobicContact CD1-CD1 4.22Å; T112-L116 WeakPolarHBondContact O-CB 3.42Å; T112-L116 PolarHBondContact O-N 3.2Å
117	W	80.9	Confident	84.1	Confident	286 Å²	286	115.5 Å²	115.5	100%	1.083	55%	0.545	S	S	*	.			trans	-82.4	0	172.9	-174.9	-83.2	0	0	0	112	L115	L115-W117 VanDerWaalsContact C-N 3.32Å

Retrieved 117 of 117 residues in 32.5 ms (Link to these results)

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