Q8ITD8_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession Q8ITD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 114 aa.

						>Q8ITD8_SCHMA|Q8ITD8
MKYFICVIITVIIGVALSYSVKNVDMSNTKETVDYQLDNNSTCSMCIQFITKWQTYLNSTSVDEKIEQFIRSTCSFYFFFRYRCEEFMERYVNKTVYIIQHNNATTLCKLTPLC
					

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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	64.2	Low	82.8	Confident	208 Å²	208	120.7 Å²	120.7	100%	1.025	60%	0.597	S	S	*	*				0	-47.1	0	-67.4	-163.3	-92.2	0	0	113.9	Y3 F4 I5	M1-Y3 PolarHBondContact O-N 3.29Å; M1-F4 PolarHBondContact O-N 2.93Å; M1-I5 PolarHBondContact O-N 3.42Å
2	K	75.4	Confident	83.2	Confident	182 Å²	182	119.4 Å²	119.4	79%	0.791	59%	0.592	S	S	*	*	H	α-helix	trans	-53.6	-40.9	-178.5	-78.3	173	169.5	175.6	0	115.8	I5 C6	K2-I5 PolarHBondContact O-N 2.81Å; K2-C6 PolarHBondContact O-N 2.76Å; K2-C6 VanDerWaalsContact O-N 3.11Å
3	Y	81.2	Confident	83.5	Confident	207 Å²	207	117.1 Å²	117.1	81%	0.812	58%	0.582	S	S	*	*	H	α-helix	trans	-64.4	-41.3	179.3	-81.1	-82.5	0	0	0	113.6	M1 I5 C6 V7	M1-Y3 PolarHBondContact O-N 3.29Å; Y3-I5 VanDerWaalsContact C-N 3.33Å; Y3-I5 PolarHBondContact O-N 3.01Å; Y3-C6 PolarHBondContact O-N 3.41Å; Y3-V7 WeakPolarHBondContact O-CG2 3.34Å; Y3-V7 PolarHBondContact O-N 3.41Å
4	F	82.3	Confident	83.3	Confident	163 Å²	163	111.5 Å²	111.5	72%	0.715	57%	0.569	S	S	*	*	H	α-helix	trans	-64	-40.9	179.5	-117.1	-87.8	0	0	0	111.5	M1 V7 I8	M1-F4 PolarHBondContact O-N 2.93Å; F4-V7 PolarHBondContact O-N 3.49Å; F4-I8 HydrophobicContact CD1-CD1 4.25Å; F4-I8 WeakPolarHBondContact O-CG1 3.3Å; F4-I8 PolarHBondContact O-N 3.49Å
5	I	86.4	Confident	83.1	Confident	102 Å²	102	108.3 Å²	108.3	52%	0.523	56%	0.557	S	S	.	*	H	α-helix	trans	-63.6	-42.7	175.9	-62	172.3	0	0	0	110.3	M1 K2 Y3 I8 I9	M1-I5 PolarHBondContact O-N 3.42Å; K2-I5 PolarHBondContact O-N 2.81Å; Y3-I5 VanDerWaalsContact C-N 3.33Å; Y3-I5 PolarHBondContact O-N 3.01Å; I5-I8 PolarHBondContact O-N 3.03Å; I5-I9 HydrophobicContact CG2-CD1 3.62Å; I5-I9 HydrophobicContact CG2-CG1 4.34Å; I5-I9 WeakPolarHBondContact O-CB 3.45Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.14Å
6	C	82.7	Confident	82.8	Confident	52 Å²	52	104.4 Å²	104.4	35%	0.351	55%	0.546	S	S	.	.	H	α-helix	trans	-60.9	-46.7	175.1	-78.1	0	0	0	0	112.4	K2 Y3 I8 I9 T10 F79	K2-C6 PolarHBondContact O-N 2.76Å; K2-C6 VanDerWaalsContact O-N 3.11Å; Y3-C6 PolarHBondContact O-N 3.41Å; C6-I8 PolarHBondContact O-N 2.89Å; C6-I9 PolarHBondContact O-N 3.27Å; C6-T10 WeakPolarHBondContact O-CG2 3.29Å; C6-T10 PolarHBondContact O-N 2.98Å; C6-T10 PolarHBondContact O-OG1 2.97Å; C6-F79 HydrophobicContact CB-CZ 4.43Å
7	V	86.5	Confident	82.1	Confident	85 Å²	85	104.1 Å²	104.1	52%	0.515	54%	0.544	S	S	.	.	H	α-helix	trans	-61.8	-46.9	-179.4	174.5	0	0	0	0	110.7	Y3 F4 I9 T10 V11	Y3-V7 WeakPolarHBondContact O-CG2 3.34Å; Y3-V7 PolarHBondContact O-N 3.41Å; F4-V7 PolarHBondContact O-N 3.49Å; V7-I9 PolarHBondContact O-N 3.03Å; V7-T10 WeakPolarHBondContact CA-OG1 3.49Å; V7-T10 PolarHBondContact O-N 2.79Å; V7-T10 PolarHBondContact O-OG1 3.1Å; V7-V11 HydrophobicContact CG1-CG2 4.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 2.98Å
8	I	88.7	Confident	81.4	Confident	90 Å²	90	101.6 Å²	101.6	46%	0.462	54%	0.537	S	S	.	.	H	α-helix	trans	-60.8	-45.1	178.1	-68	172.6	0	0	0	110.9	F4 I5 C6 T10 V11 I12	F4-I8 HydrophobicContact CD1-CD1 4.25Å; F4-I8 WeakPolarHBondContact O-CG1 3.3Å; F4-I8 PolarHBondContact O-N 3.49Å; I5-I8 PolarHBondContact O-N 3.03Å; C6-I8 PolarHBondContact O-N 2.89Å; I8-T10 PolarHBondContact O-N 3.21Å; I8-V11 PolarHBondContact O-N 3.47Å; I8-I12 HydrophobicContact CG2-CD1 3.61Å; I8-I12 HydrophobicContact CG2-CG1 4.3Å; I8-I12 WeakPolarHBondContact O-CB 3.13Å; I8-I12 VanDerWaalsContact O-CG1 3.27Å; I8-I12 WeakPolarHBondContact O-CG1 3.02Å; I8-I12 PolarHBondContact O-N 2.04Å
9	I	88.8	Confident	80.8	Confident	88 Å²	88	104.5 Å²	104.5	45%	0.451	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-43.7	177.2	-69.3	170.8	0	0	0	110.8	I5 C6 V7 V11 I12 I13	I5-I9 HydrophobicContact CG2-CD1 3.62Å; I5-I9 HydrophobicContact CG2-CG1 4.34Å; I5-I9 WeakPolarHBondContact O-CB 3.45Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.14Å; C6-I9 PolarHBondContact O-N 3.27Å; V7-I9 PolarHBondContact O-N 3.03Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 3.43Å; I9-I12 PolarHBondContact O-N 3.02Å; I9-I13 HydrophobicContact CG2-CD1 3.48Å; I9-I13 VanDerWaalsContact CG2-CD1 3.48Å; I9-I13 HydrophobicContact CG2-CG1 4.19Å; I9-I13 WeakPolarHBondContact O-CB 3.33Å; I9-I13 WeakPolarHBondContact O-CG1 3.16Å; I9-I13 PolarHBondContact O-N 2.99Å
10	T	86.8	Confident	79.8	Confident	66 Å²	66	103.2 Å²	103.2	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-35.9	178.3	56.4	0	0	0	0	113	C6 V7 I8 G14 F79	C6-T10 WeakPolarHBondContact O-CG2 3.29Å; C6-T10 PolarHBondContact O-N 2.98Å; C6-T10 PolarHBondContact O-OG1 2.97Å; V7-T10 WeakPolarHBondContact CA-OG1 3.49Å; V7-T10 PolarHBondContact O-N 2.79Å; V7-T10 PolarHBondContact O-OG1 3.1Å; I8-T10 PolarHBondContact O-N 3.21Å; T10-G14 PolarHBondContact O-N 3.42Å; T10-F79 HydrophobicContact CG2-CD2 4.5Å; T10-F79 HydrophobicContact CG2-CE2 4.04Å
11	V	87.6	Confident	78.8	Confident	85 Å²	85	103 Å²	103	52%	0.515	54%	0.544	S	S	.	.	H	α-helix	trans	-70.2	-45	176	173.2	0	0	0	0	110.4	V7 I8 I9 G14 V15	V7-V11 HydrophobicContact CG1-CG2 4.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 2.98Å; I8-V11 PolarHBondContact O-N 3.47Å; I9-V11 VanDerWaalsContact C-N 3.35Å; I9-V11 PolarHBondContact O-N 3.43Å; V11-G14 PolarHBondContact O-N 2.76Å; V11-V15 HydrophobicContact CG1-CG2 4.25Å; V11-V15 VanDerWaalsContact O-CB 3.27Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 WeakPolarHBondContact O-CG2 3.17Å; V11-V15 PolarHBondContact O-N 3.24Å
12	I	87.4	Confident	78.4	Confident	105 Å²	105	100.8 Å²	100.8	54%	0.538	53%	0.528	S	S	.	.	H	α-helix	trans	-63.9	-43.7	178.1	-67.2	171.3	0	0	0	110.9	I8 I9 V15 A16	I8-I12 HydrophobicContact CG2-CD1 3.61Å; I8-I12 HydrophobicContact CG2-CG1 4.3Å; I8-I12 WeakPolarHBondContact O-CB 3.13Å; I8-I12 VanDerWaalsContact O-CG1 3.27Å; I8-I12 WeakPolarHBondContact O-CG1 3.02Å; I8-I12 PolarHBondContact O-N 2.04Å; I9-I12 PolarHBondContact O-N 3.02Å; I12-V15 PolarHBondContact O-N 2.04Å; I12-A16 VanDerWaalsContact O-CB 3.23Å; I12-A16 WeakPolarHBondContact O-CB 3.18Å; I12-A16 PolarHBondContact O-N 3.34Å
13	I	86.9	Confident	77.4	Confident	89 Å²	89	98.2 Å²	98.2	46%	0.456	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-44.6	175.8	-66.9	171	0	0	0	110.2	I9 V15 A16 L17	I9-I13 HydrophobicContact CG2-CD1 3.48Å; I9-I13 VanDerWaalsContact CG2-CD1 3.48Å; I9-I13 HydrophobicContact CG2-CG1 4.19Å; I9-I13 WeakPolarHBondContact O-CB 3.33Å; I9-I13 WeakPolarHBondContact O-CG1 3.16Å; I9-I13 PolarHBondContact O-N 2.99Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.44Å; I13-A16 PolarHBondContact O-N 3.33Å; I13-L17 HydrophobicContact CG2-CD1 3.75Å; I13-L17 HydrophobicContact CG2-CG 4.1Å; I13-L17 VanDerWaalsContact O-CB 3.32Å; I13-L17 WeakPolarHBondContact O-CB 3.37Å; I13-L17 VanDerWaalsContact O-CG 3.24Å; I13-L17 WeakPolarHBondContact O-CG 3.15Å; I13-L17 PolarHBondContact O-N 3.05Å
14	G	80.8	Confident	75.8	Confident	39 Å²	39	93.5 Å²	93.5	40%	0.402	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-41.1	177.4	0	0	0	0	0	112.4	T10 V11 S18	T10-G14 PolarHBondContact O-N 3.42Å; V11-G14 PolarHBondContact O-N 2.76Å; G14-S18 WeakPolarHBondContact O-CB 3.03Å; G14-S18 PolarHBondContact O-N 3.02Å
15	V	80.3	Confident	74.3	Confident	64 Å²	64	90.1 Å²	90.1	39%	0.388	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-47.3	175.2	169.5	0	0	0	0	110.6	V11 I12 I13 L17 S18 Y19	V11-V15 HydrophobicContact CG1-CG2 4.25Å; V11-V15 VanDerWaalsContact O-CB 3.27Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 WeakPolarHBondContact O-CG2 3.17Å; V11-V15 PolarHBondContact O-N 3.24Å; I12-V15 PolarHBondContact O-N 2.04Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 3.44Å; V15-L17 PolarHBondContact O-N 3.35Å; V15-S18 WeakPolarHBondContact CA-OG 2.95Å; V15-S18 WeakPolarHBondContact O-CB 3.47Å; V15-S18 PolarHBondContact O-N 3.37Å; V15-S18 VanDerWaalsContact O-N 3.11Å; V15-S18 PolarHBondContact O-OG 3.47Å; V15-Y19 HydrophobicContact CG1-CD2 3.68Å; V15-Y19 HydrophobicContact CG1-CE2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.09Å; V15-Y19 PolarHBondContact O-N 2.93Å
16	A	78.2	Confident	72.6	Confident	46 Å²	46	93.3 Å²	93.3	38%	0.38	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-43.6	177	0	0	0	0	0	112.2	I12 I13 S18 Y19 S20	I12-A16 VanDerWaalsContact O-CB 3.23Å; I12-A16 WeakPolarHBondContact O-CB 3.18Å; I12-A16 PolarHBondContact O-N 3.34Å; I13-A16 PolarHBondContact O-N 3.33Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.31Å; A16-Y19 WeakPolarHBondContact O-CB 3.48Å; A16-Y19 PolarHBondContact O-N 3.07Å; A16-Y19 VanDerWaalsContact O-N 3.16Å; A16-S20 PolarHBondContact O-N 3.18Å; A16-S20 PolarHBondContact O-OG 3.37Å
17	L	71.4	Confident	71.1	Confident	99 Å²	99	94.9 Å²	94.9	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-38.7	173.5	-69.8	175.8	0	0	0	111.1	I13 V15 Y19 S20 V21	I13-L17 HydrophobicContact CG2-CD1 3.75Å; I13-L17 HydrophobicContact CG2-CG 4.1Å; I13-L17 VanDerWaalsContact O-CB 3.32Å; I13-L17 WeakPolarHBondContact O-CB 3.37Å; I13-L17 VanDerWaalsContact O-CG 3.24Å; I13-L17 WeakPolarHBondContact O-CG 3.15Å; I13-L17 PolarHBondContact O-N 3.05Å; V15-L17 PolarHBondContact O-N 3.35Å; L17-Y19 PolarHBondContact O-N 2.94Å; L17-S20 PolarHBondContact O-N 2.9Å; L17-V21 VanDerWaalsContact O-CB 3.31Å; L17-V21 WeakPolarHBondContact O-CB 3.02Å; L17-V21 WeakPolarHBondContact O-CG2 3.28Å; L17-V21 PolarHBondContact O-N 3.48Å
18	S	70	Confident	69.1	Low	59 Å²	59	96.8 Å²	96.8	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-30.2	174.3	79.3	0	0	0	0	112.7	G14 V15 A16 K22	G14-S18 WeakPolarHBondContact O-CB 3.03Å; G14-S18 PolarHBondContact O-N 3.02Å; V15-S18 WeakPolarHBondContact CA-OG 2.95Å; V15-S18 WeakPolarHBondContact O-CB 3.47Å; V15-S18 PolarHBondContact O-N 3.37Å; V15-S18 VanDerWaalsContact O-N 3.11Å; V15-S18 PolarHBondContact O-OG 3.47Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-S18 PolarHBondContact O-N 3.31Å; S18-K22 WeakPolarHBondContact O-CG 3.41Å
19	Y	69.6	Low	66.9	Low	156 Å²	156	97.6 Å²	97.6	61%	0.612	55%	0.548	S	S	*	.	H	α-helix	trans	-74.3	-41.3	171.8	-75.2	-67	0	0	0	112.1	V15 A16 L17	V15-Y19 HydrophobicContact CG1-CD2 3.68Å; V15-Y19 HydrophobicContact CG1-CE2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.09Å; V15-Y19 PolarHBondContact O-N 2.93Å; A16-Y19 WeakPolarHBondContact O-CB 3.48Å; A16-Y19 PolarHBondContact O-N 3.07Å; A16-Y19 VanDerWaalsContact O-N 3.16Å; L17-Y19 PolarHBondContact O-N 2.94Å
20	S	61.1	Low	64.8	Low	78 Å²	78	101.7 Å²	101.7	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-75.4	-30.5	-179.6	-62.1	0	0	0	0	113.6	A16 L17 K22 N23	A16-S20 PolarHBondContact O-N 3.18Å; A16-S20 PolarHBondContact O-OG 3.37Å; L17-S20 PolarHBondContact O-N 2.9Å; S20-K22 VanDerWaalsContact C-N 3.3Å; S20-K22 PolarHBondContact O-N 2.68Å; S20-N23 PolarHBondContact O-N 3.49Å
21	V	57.7	Low	62.7	Low	99 Å²	99	104 Å²	104	60%	0.6	57%	0.569	S	S	*	*	H	α-helix	trans	-69.4	-28.7	177.3	170.8	0	0	0	0	111.4	L17 N23 V24	L17-V21 VanDerWaalsContact O-CB 3.31Å; L17-V21 WeakPolarHBondContact O-CB 3.02Å; L17-V21 WeakPolarHBondContact O-CG2 3.28Å; L17-V21 PolarHBondContact O-N 3.48Å; V21-N23 PolarHBondContact O-N 2.9Å; V21-N23 VanDerWaalsContact O-N 3.07Å; V21-V24 PolarHBondContact O-N 3.39Å; V21-V24 VanDerWaalsContact O-N 3.13Å
22	K	57.4	Low	60.4	Low	162 Å²	162	105.5 Å²	105.5	70%	0.704	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-17.9	174	-75.7	-179.7	179.7	-174.3	0	113.7	S18 S20	S18-K22 WeakPolarHBondContact O-CG 3.41Å; S20-K22 VanDerWaalsContact C-N 3.3Å; S20-K22 PolarHBondContact O-N 2.68Å
23	N	53.6	Low	58.4	Low	128 Å²	128	103.6 Å²	103.6	68%	0.684	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	5.1	-179.8	-65.2	-33.9	0	0	0	113.6	S20 V21 D25	S20-N23 PolarHBondContact O-N 3.49Å; V21-N23 PolarHBondContact O-N 2.9Å; V21-N23 VanDerWaalsContact O-N 3.07Å; N23-D25 PolarHBondContact O-N 3.47Å; N23-D25 VanDerWaalsContact O-N 3.09Å
24	V	48.1	Very low	56.4	Low	108 Å²	108	105.7 Å²	105.7	66%	0.655	58%	0.584	S	S	*	*			trans	-82.5	81.8	160.5	-177.6	0	0	0	0	105.7	V21 M26	V21-V24 PolarHBondContact O-N 3.39Å; V21-V24 VanDerWaalsContact O-N 3.13Å; V24-M26 PolarHBondContact O-N 3.47Å
25	D	51	Low	55	Low	92 Å²	92	109.8 Å²	109.8	49%	0.492	59%	0.588	S	S	.	*			trans	-65.4	75.2	169.2	-78.5	-50.6	0	0	0	109.6	N23 S27 N28	N23-D25 PolarHBondContact O-N 3.47Å; N23-D25 VanDerWaalsContact O-N 3.09Å; D25-S27 PolarHBondContact O-N 2.93Å; D25-S27 PolarHBondContact OD1-OG 3.4Å; D25-N28 HydrophobicContact CB-CB 4.45Å; D25-N28 WeakPolarHBondContact CB-ND2 3.26Å; D25-N28 PolarHBondContact O-N 3.25Å
26	M	49.5	Very low	53.3	Low	170 Å²	170	114.2 Å²	114.2	84%	0.837	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	6.3	153.4	-161.2	142.8	-177.7	0	0	110.9	V24 N28	V24-M26 PolarHBondContact O-N 3.47Å; M26-N28 VanDerWaalsContact C-N 3.32Å
27	S	51.5	Low	52.1	Low	84 Å²	84	116.3 Å²	116.3	59%	0.587	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-11.1	167.3	78.5	0	0	0	0	113.1	D25	D25-S27 PolarHBondContact O-N 2.93Å; D25-S27 PolarHBondContact OD1-OG 3.4Å
28	N	45.8	Very low	51.4	Low	126 Å²	126	116 Å²	116	67%	0.674	61%	0.608	S	S	*	*			trans	-98.2	8.3	-175.5	-85.8	-45.7	0	0	0	115.6	D25 M26 K30	D25-N28 HydrophobicContact CB-CB 4.45Å; D25-N28 WeakPolarHBondContact CB-ND2 3.26Å; D25-N28 PolarHBondContact O-N 3.25Å; M26-N28 VanDerWaalsContact C-N 3.32Å; N28-K30 PolarHBondContact O-N 2.96Å
29	T	42.2	Very low	51	Low	106 Å²	106	118.6 Å²	118.6	65%	0.65	62%	0.617	S	S	*	*			trans	-88.1	80.4	148.8	-45.1	0	0	0	0	107.2	E31	T29-E31 HydrophobicContact CG2-CB 4.49Å; T29-E31 HydrophobicContact CG2-CG 3.87Å; T29-E31 PolarHBondContact O-N 3.42Å
30	K	43.3	Very low	51	Low	174 Å²	174	117 Å²	117	76%	0.757	62%	0.619	S	S	*	*			trans	-60.4	78.3	151.1	-160.9	-173.1	-174.4	178.7	0	105.9	N28 T32	N28-K30 PolarHBondContact O-N 2.96Å; K30-T32 HydrophobicContact CD-CG2 4.34Å; K30-T32 HydrophobicContact CG-CG2 4.1Å; K30-T32 PolarHBondContact O-N 3.47Å
31	E	44.3	Very low	52.1	Low	115 Å²	115	115.1 Å²	115.1	54%	0.537	61%	0.606	S	S	.	*			trans	-64	83.5	156.5	-95.1	-173.3	127.5	0	0	104.9	T29 V33 Y35	T29-E31 HydrophobicContact CG2-CB 4.49Å; T29-E31 HydrophobicContact CG2-CG 3.87Å; T29-E31 PolarHBondContact O-N 3.42Å; E31-V33 HydrophobicContact CB-CB 4.28Å; E31-V33 HydrophobicContact CB-CG2 4Å; E31-V33 HydrophobicContact CG-CB 4.4Å; E31-V33 HydrophobicContact CG-CG2 3.66Å; E31-V33 PolarHBondContact O-N 3.5Å; E31-V33 WeakPolarHBondContact OE1-CG2 3.49Å; E31-Y35 PolarHBondContact OE2-OH 2.88Å
32	T	38.1	Very low	53.6	Low	117 Å²	117	111.2 Å²	111.2	72%	0.718	58%	0.582	S	S	*	*			trans	-70.5	60.5	141	56	0	0	0	0	106.9	K30	K30-T32 HydrophobicContact CD-CG2 4.34Å; K30-T32 HydrophobicContact CG-CG2 4.1Å; K30-T32 PolarHBondContact O-N 3.47Å
33	V	46.7	Very low	55.4	Low	65 Å²	65	104.7 Å²	104.7	39%	0.394	56%	0.557	S	S	.	*			trans	-85.2	102	152.4	177.6	0	0	0	0	101.8	E31 Y35	E31-V33 HydrophobicContact CB-CB 4.28Å; E31-V33 HydrophobicContact CB-CG2 4Å; E31-V33 HydrophobicContact CG-CB 4.4Å; E31-V33 HydrophobicContact CG-CG2 3.66Å; E31-V33 PolarHBondContact O-N 3.5Å; E31-V33 WeakPolarHBondContact OE1-CG2 3.49Å; V33-Y35 HydrophobicContact CB-CD1 3.95Å; V33-Y35 HydrophobicContact CB-CE1 3.58Å; V33-Y35 HydrophobicContact CB-CE2 4.25Å; V33-Y35 HydrophobicContact CB-CG 4.42Å; V33-Y35 HydrophobicContact CG1-CD1 3.33Å; V33-Y35 HydrophobicContact CG1-CE1 3.41Å; V33-Y35 VanDerWaalsContact CG1-CE1 3.41Å; V33-Y35 HydrophobicContact CG1-CG 3.93Å; V33-Y35 HydrophobicContact CG2-CE1 4.45Å; V33-Y35 WeakPolarHBondContact O-CD2 3.23Å; V33-Y35 VanDerWaalsContact O-CE2 3.24Å; V33-Y35 WeakPolarHBondContact O-CE2 3.5Å; V33-Y35 PolarHBondContact O-N 3.46Å
34	D	44.3	Very low	57.3	Low	133 Å²	133	101.1 Å²	101.1	71%	0.711	54%	0.542	S	S	*	.			trans	-61.2	89.1	160.4	178	26.6	0	0	0	105.7	Q36	D34-Q36 PolarHBondContact O-N 3.21Å; D34-Q36 WeakPolarHBondContact OD2-CG 3.34Å
35	Y	50	Low	59.4	Low	124 Å²	124	101.7 Å²	101.7	49%	0.486	54%	0.539	S	S	.	.			trans	-71.5	70.5	168	-33.8	-93	0	0	0	106.4	E31 V33 L37	E31-Y35 PolarHBondContact OE2-OH 2.88Å; V33-Y35 HydrophobicContact CB-CD1 3.95Å; V33-Y35 HydrophobicContact CB-CE1 3.58Å; V33-Y35 HydrophobicContact CB-CE2 4.25Å; V33-Y35 HydrophobicContact CB-CG 4.42Å; V33-Y35 HydrophobicContact CG1-CD1 3.33Å; V33-Y35 HydrophobicContact CG1-CE1 3.41Å; V33-Y35 VanDerWaalsContact CG1-CE1 3.41Å; V33-Y35 HydrophobicContact CG1-CG 3.93Å; V33-Y35 HydrophobicContact CG2-CE1 4.45Å; V33-Y35 WeakPolarHBondContact O-CD2 3.23Å; V33-Y35 VanDerWaalsContact O-CE2 3.24Å; V33-Y35 WeakPolarHBondContact O-CE2 3.5Å; V33-Y35 PolarHBondContact O-N 3.46Å; Y35-L37 HydrophobicContact CG-CD1 4.38Å; Y35-L37 PolarHBondContact O-N 2.91Å
36	Q	45.9	Very low	61.5	Low	158 Å²	158	97.9 Å²	97.9	74%	0.738	52%	0.519	S	S	*	.			trans	-61	80.7	145	-76.7	-100.2	-92.9	0	0	104.9	D34 D38	D34-Q36 PolarHBondContact O-N 3.21Å; D34-Q36 WeakPolarHBondContact OD2-CG 3.34Å; Q36-D38 PolarHBondContact O-N 3.37Å
37	L	53.2	Low	63.6	Low	90 Å²	90	92 Å²	92	47%	0.471	49%	0.49	S	S	.	.			trans	-65	81.3	176.7	-111.7	120.4	0	0	0	106.1	Y35 N39 T42	Y35-L37 HydrophobicContact CG-CD1 4.38Å; Y35-L37 PolarHBondContact O-N 2.91Å; L37-N39 VanDerWaalsContact C-N 3.33Å; L37-N39 PolarHBondContact O-N 3.03Å; L37-N39 VanDerWaalsContact O-N 3.14Å; L37-T42 HydrophobicContact CD1-CG2 4.34Å; L37-T42 HydrophobicContact CD2-CG2 3.53Å; L37-T42 WeakPolarHBondContact CD2-OG1 3.41Å; L37-T42 HydrophobicContact CG-CG2 3.49Å; L37-T42 VanDerWaalsContact CG-CG2 3.49Å
38	D	56.2	Low	65.7	Low	92 Å²	92	93.8 Å²	93.8	49%	0.492	49%	0.489	S	S	.	.			trans	-60.9	110.3	144.7	-179.7	5	0	0	0	104.9	Q36 N40 S41 T42	Q36-D38 PolarHBondContact O-N 3.37Å; D38-N40 PolarHBondContact O-N 3.41Å; D38-N40 WeakPolarHBondContact OD1-CB 3.28Å; D38-N40 PolarHBondContact OD1-N 2.86Å; D38-S41 WeakPolarHBondContact O-CA 3.36Å; D38-S41 PolarHBondContact O-N 3.37Å; D38-S41 PolarHBondContact O-OG 3.33Å; D38-T42 PolarHBondContact O-N 3.18Å; D38-T42 VanDerWaalsContact O-N 3.07Å; D38-T42 PolarHBondContact O-OG1 3.28Å
39	N	60.8	Low	68	Low	114 Å²	114	93.3 Å²	93.3	61%	0.61	48%	0.482	S	S	*	.	H	α-helix	trans	-51.4	-28.9	175.6	-74.5	-8.8	0	0	0	110.4	L37 T42 C43	L37-N39 VanDerWaalsContact C-N 3.33Å; L37-N39 PolarHBondContact O-N 3.03Å; L37-N39 VanDerWaalsContact O-N 3.14Å; N39-T42 PolarHBondContact O-OG1 3.03Å; N39-C43 WeakPolarHBondContact O-CB 3.44Å; N39-C43 PolarHBondContact O-N 3.45Å
40	N	69.8	Low	70.6	Confident	122 Å²	122	89.3 Å²	89.3	65%	0.652	46%	0.456	S	S	*	.	H	α-helix	trans	-70.3	-35.4	174.6	-159	37.5	0	0	0	112.6	D38 S44	D38-N40 PolarHBondContact O-N 3.41Å; D38-N40 WeakPolarHBondContact OD1-CB 3.28Å; D38-N40 PolarHBondContact OD1-N 2.86Å; N40-S44 WeakPolarHBondContact O-CB 3.27Å; N40-S44 PolarHBondContact O-N 3.15Å
41	S	84.8	Confident	73	Confident	39 Å²	39	84 Å²	84	27%	0.273	44%	0.438	S	S	.	.	H	α-helix	trans	-71.1	-44.9	177.6	80.3	0	0	0	0	111.6	D38 S44 M45	D38-S41 WeakPolarHBondContact O-CA 3.36Å; D38-S41 PolarHBondContact O-N 3.37Å; D38-S41 PolarHBondContact O-OG 3.33Å; S41-S44 PolarHBondContact O-N 3.28Å; S41-M45 VanDerWaalsContact O-CG 3.3Å; S41-M45 WeakPolarHBondContact O-CG 3.35Å; S41-M45 PolarHBondContact O-N 2.99Å
42	T	90.1	Very high	75.4	Confident	17 Å²	17	86.1 Å²	86.1	10%	0.104	45%	0.446	C	S	.	.	H	α-helix	trans	-70	-39.1	178.7	46.3	0	0	0	0	112.9	L37 D38 N39 S44 M45 C46	L37-T42 HydrophobicContact CD1-CG2 4.34Å; L37-T42 HydrophobicContact CD2-CG2 3.53Å; L37-T42 WeakPolarHBondContact CD2-OG1 3.41Å; L37-T42 HydrophobicContact CG-CG2 3.49Å; L37-T42 VanDerWaalsContact CG-CG2 3.49Å; D38-T42 PolarHBondContact O-N 3.18Å; D38-T42 VanDerWaalsContact O-N 3.07Å; D38-T42 PolarHBondContact O-OG1 3.28Å; N39-T42 PolarHBondContact O-OG1 3.03Å; T42-S44 VanDerWaalsContact C-N 3.33Å; T42-S44 PolarHBondContact O-N 3.37Å; T42-M45 PolarHBondContact O-N 3.14Å; T42-C46 PolarHBondContact O-N 2.76Å
43	C	93.8	Very high	78	Confident	25 Å²	25	85.4 Å²	85.4	17%	0.169	43%	0.43	C	S	.	.	H	α-helix	trans	-62	-44.5	173.5	-173.3	0	0	0	0	110.9	N39 M45 C46 I47 L113 C114	N39-C43 WeakPolarHBondContact O-CB 3.44Å; N39-C43 PolarHBondContact O-N 3.45Å; C43-M45 PolarHBondContact O-N 3.18Å; C43-C46 PolarHBondContact O-N 3.4Å; C43-I47 VanDerWaalsContact O-CG1 3.28Å; C43-I47 WeakPolarHBondContact O-CG1 3.4Å; C43-I47 PolarHBondContact O-N 3.34Å; C43-L113 WeakPolarHBondContact CA-O 3.33Å; C43-L113 WeakPolarHBondContact CB-O 3.27Å; C43-L113 PolarHBondContact N-O 2.9Å; C43-C114 WeakPolarHBondContact CA-SG 3.23Å; C43-C114 HydrophobicContact CB-CB 4Å; C43-C114 WeakPolarHBondContact CB-SG 3.2Å; C43-C114 WeakPolarHBondContact SG-CB 3.22Å; C43-C114 CovalentContact SG-SG 2.04Å; C43-C114 PolarHBondContact SG-SG 3.24Å
44	S	93.2	Very high	80.2	Confident	52 Å²	52	84 Å²	84	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-42.9	174.7	-177.8	0	0	0	0	112.4	N40 S41 T42 I47 Q48	N40-S44 WeakPolarHBondContact O-CB 3.27Å; N40-S44 PolarHBondContact O-N 3.15Å; S41-S44 PolarHBondContact O-N 3.28Å; T42-S44 VanDerWaalsContact C-N 3.33Å; T42-S44 PolarHBondContact O-N 3.37Å; S44-I47 PolarHBondContact O-N 3.07Å; S44-Q48 WeakPolarHBondContact O-CB 3.47Å; S44-Q48 VanDerWaalsContact O-CG 3.26Å; S44-Q48 WeakPolarHBondContact O-CG 3.27Å; S44-Q48 PolarHBondContact O-N 3.37Å; S44-Q48 PolarHBondContact OG-NE2 3.48Å
45	M	92.4	Very high	82.4	Confident	121 Å²	121	82.5 Å²	82.5	60%	0.596	42%	0.415	S	S	*	.	H	α-helix	trans	-63	-43.4	176.1	-73.1	-178.7	-157	0	0	112.1	S41 T42 C43 Q48 F49	S41-M45 VanDerWaalsContact O-CG 3.3Å; S41-M45 WeakPolarHBondContact O-CG 3.35Å; S41-M45 PolarHBondContact O-N 2.99Å; T42-M45 PolarHBondContact O-N 3.14Å; C43-M45 PolarHBondContact O-N 3.18Å; M45-Q48 PolarHBondContact O-N 3.26Å; M45-F49 VanDerWaalsContact O-CB 3.31Å; M45-F49 WeakPolarHBondContact O-CB 3.32Å; M45-F49 PolarHBondContact O-N 2.73Å
46	C	94.8	Very high	84.3	Confident	12 Å²	12	81.1 Å²	81.1	8%	0.081	41%	0.409	C	S	.	.	H	α-helix	trans	-60	-48.2	175.2	179.7	0	0	0	0	111	T42 C43 Q48 F49 I50 C108 L113	T42-C46 PolarHBondContact O-N 2.76Å; C43-C46 PolarHBondContact O-N 3.4Å; C46-Q48 VanDerWaalsContact C-N 3.31Å; C46-Q48 PolarHBondContact O-N 2.89Å; C46-F49 WeakPolarHBondContact O-CB 3.47Å; C46-F49 PolarHBondContact O-N 3.26Å; C46-F49 VanDerWaalsContact O-N 3.15Å; C46-I50 WeakPolarHBondContact O-CG1 3.32Å; C46-I50 PolarHBondContact O-N 3.15Å; C46-C108 HydrophobicContact CB-CB 3.79Å; C46-C108 WeakPolarHBondContact CB-SG 3.16Å; C46-C108 PolarHBondContact O-SG 3.46Å; C46-C108 WeakPolarHBondContact SG-CA 3.24Å; C46-C108 WeakPolarHBondContact SG-CB 3.32Å; C46-C108 CovalentContact SG-SG 2.04Å; C46-C108 PolarHBondContact SG-SG 2.93Å; C46-L113 HydrophobicContact CB-CB 3.97Å; C46-L113 HydrophobicContact CB-CD1 3.78Å
47	I	95.4	Very high	86.4	Confident	45 Å²	45	74.1 Å²	74.1	23%	0.231	38%	0.377	C	S	.	.	H	α-helix	trans	-60	-44.8	-180	-70.3	166.8	0	0	0	110.2	C43 S44 I50 T51 A104 T105 C108	C43-I47 VanDerWaalsContact O-CG1 3.28Å; C43-I47 WeakPolarHBondContact O-CG1 3.4Å; C43-I47 PolarHBondContact O-N 3.34Å; S44-I47 PolarHBondContact O-N 3.07Å; I47-I50 PolarHBondContact O-N 2.9Å; I47-T51 VanDerWaalsContact O-CB 3.28Å; I47-T51 WeakPolarHBondContact O-CB 3.35Å; I47-T51 PolarHBondContact O-N 2.79Å; I47-T51 PolarHBondContact O-OG1 2.9Å; I47-A104 HydrophobicContact CG2-CB 4.14Å; I47-T105 HydrophobicContact CD1-CG2 4.3Å; I47-C108 HydrophobicContact CG1-CB 4.33Å; I47-C108 PolarHBondContact N-SG 2.87Å
48	Q	94.7	Very high	87.9	Confident	122 Å²	122	75.2 Å²	75.2	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-62.3	-42.5	176.1	-73.8	177.9	59.6	0	0	112.1	S44 M45 C46 T51 K52	S44-Q48 WeakPolarHBondContact O-CB 3.47Å; S44-Q48 VanDerWaalsContact O-CG 3.26Å; S44-Q48 WeakPolarHBondContact O-CG 3.27Å; S44-Q48 PolarHBondContact O-N 3.37Å; S44-Q48 PolarHBondContact OG-NE2 3.48Å; M45-Q48 PolarHBondContact O-N 3.26Å; C46-Q48 VanDerWaalsContact C-N 3.31Å; C46-Q48 PolarHBondContact O-N 2.89Å; Q48-T51 PolarHBondContact O-N 3.26Å; Q48-K52 WeakPolarHBondContact O-CB 3.43Å; Q48-K52 PolarHBondContact O-N 3.14Å
49	F	94.9	Very high	89	Confident	117 Å²	117	73 Å²	73	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-51.7	177.5	178.2	-101.6	0	0	0	111.4	M45 C46 T51 K52 W53	M45-F49 VanDerWaalsContact O-CB 3.31Å; M45-F49 WeakPolarHBondContact O-CB 3.32Å; M45-F49 PolarHBondContact O-N 2.73Å; C46-F49 WeakPolarHBondContact O-CB 3.47Å; C46-F49 PolarHBondContact O-N 3.26Å; C46-F49 VanDerWaalsContact O-N 3.15Å; F49-T51 VanDerWaalsContact C-N 3.35Å; F49-T51 PolarHBondContact O-N 3.13Å; F49-K52 WeakPolarHBondContact O-CB 3.43Å; F49-K52 PolarHBondContact O-N 2.9Å; F49-W53 AromaticContact CD1-CD1 3.76Å; F49-W53 AromaticContact CD2-NE1 3.92Å; F49-W53 AromaticContact CE1-CD1 3.5Å; F49-W53 VanDerWaalsContact CE1-CD1 3.5Å; F49-W53 AromaticContact CE1-NE1 3.37Å; F49-W53 AromaticContact CE2-CD1 3.83Å; F49-W53 AromaticContact CE2-NE1 3.24Å; F49-W53 AromaticContact CZ-CD1 3.57Å; F49-W53 AromaticContact CZ-NE1 2.94Å; F49-W53 VanDerWaalsContact O-CD1 3.26Å; F49-W53 PolarHBondContact O-N 3.34Å
50	I	95.8	Very high	89.5	Confident	21 Å²	21	74.4 Å²	74.4	11%	0.108	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-42	178.3	-62.8	-62.3	0	0	0	111.1	C46 I47 K52 W53 Q54 I99 A104 L107	C46-I50 WeakPolarHBondContact O-CG1 3.32Å; C46-I50 PolarHBondContact O-N 3.15Å; I47-I50 PolarHBondContact O-N 2.9Å; I50-K52 VanDerWaalsContact C-N 3.3Å; I50-K52 PolarHBondContact O-N 2.85Å; I50-W53 WeakPolarHBondContact O-CB 3.3Å; I50-W53 PolarHBondContact O-N 2.93Å; I50-W53 VanDerWaalsContact O-N 3.15Å; I50-Q54 HydrophobicContact CG2-CG 4.44Å; I50-Q54 WeakPolarHBondContact O-CG 3.39Å; I50-Q54 PolarHBondContact O-N 3Å; I50-I99 HydrophobicContact CG2-CG2 4.44Å; I50-A104 HydrophobicContact CB-CB 3.91Å; I50-A104 HydrophobicContact CG2-CB 3.69Å; I50-L107 HydrophobicContact CG2-CD1 3.72Å
51	T	94.4	Very high	89.8	Confident	63 Å²	63	71 Å²	71	39%	0.387	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-39	176.9	-57	0	0	0	0	111.9	I47 Q48 F49 Q54 T55	I47-T51 VanDerWaalsContact O-CB 3.28Å; I47-T51 WeakPolarHBondContact O-CB 3.35Å; I47-T51 PolarHBondContact O-N 2.79Å; I47-T51 PolarHBondContact O-OG1 2.9Å; Q48-T51 PolarHBondContact O-N 3.26Å; F49-T51 VanDerWaalsContact C-N 3.35Å; F49-T51 PolarHBondContact O-N 3.13Å; T51-Q54 PolarHBondContact O-N 2.8Å; T51-T55 PolarHBondContact O-N 3.36Å; T51-T55 PolarHBondContact O-OG1 3.5Å
52	K	93.1	Very high	89.8	Confident	160 Å²	160	69.3 Å²	69.3	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-65.7	-42.1	175.2	-172.5	173.9	-177.6	177.1	0	111.4	Q48 F49 I50 T55 Y56	Q48-K52 WeakPolarHBondContact O-CB 3.43Å; Q48-K52 PolarHBondContact O-N 3.14Å; F49-K52 WeakPolarHBondContact O-CB 3.43Å; F49-K52 PolarHBondContact O-N 2.9Å; I50-K52 VanDerWaalsContact C-N 3.3Å; I50-K52 PolarHBondContact O-N 2.85Å; K52-T55 PolarHBondContact O-N 3.31Å; K52-Y56 WeakPolarHBondContact O-CB 3.44Å; K52-Y56 PolarHBondContact O-N 3.15Å
53	W	93	Very high	89.5	Confident	101 Å²	101	73.6 Å²	73.6	38%	0.383	38%	0.384	S	S	.	.	H	α-helix	trans	-62	-44	173	-83.7	101.6	0	0	0	112.1	F49 I50 T55 Y56 L57 I99	F49-W53 AromaticContact CD1-CD1 3.76Å; F49-W53 AromaticContact CD2-NE1 3.92Å; F49-W53 AromaticContact CE1-CD1 3.5Å; F49-W53 VanDerWaalsContact CE1-CD1 3.5Å; F49-W53 AromaticContact CE1-NE1 3.37Å; F49-W53 AromaticContact CE2-CD1 3.83Å; F49-W53 AromaticContact CE2-NE1 3.24Å; F49-W53 AromaticContact CZ-CD1 3.57Å; F49-W53 AromaticContact CZ-NE1 2.94Å; F49-W53 VanDerWaalsContact O-CD1 3.26Å; F49-W53 PolarHBondContact O-N 3.34Å; I50-W53 WeakPolarHBondContact O-CB 3.3Å; I50-W53 PolarHBondContact O-N 2.93Å; I50-W53 VanDerWaalsContact O-N 3.15Å; W53-T55 VanDerWaalsContact C-N 3.31Å; W53-T55 PolarHBondContact O-N 3.01Å; W53-Y56 HydrophobicContact CE3-CD1 4.21Å; W53-Y56 HydrophobicContact CZ3-CD1 4.15Å; W53-Y56 HydrophobicContact CZ3-CE1 4.47Å; W53-Y56 PolarHBondContact O-N 2.86Å; W53-Y56 VanDerWaalsContact O-N 3.09Å; W53-L57 HydrophobicContact CE3-CD2 4.21Å; W53-L57 HydrophobicContact CE3-CG 4.27Å; W53-L57 WeakPolarHBondContact O-CB 3.37Å; W53-L57 WeakPolarHBondContact O-CG 3.12Å; W53-L57 PolarHBondContact O-N 2.99Å; W53-I99 HydrophobicContact CB-CG2 3.98Å
54	Q	93.2	Very high	89.2	Confident	36 Å²	36	79.5 Å²	79.5	17%	0.168	41%	0.409	C	S	.	.	H	α-helix	trans	-57.8	-44.3	176.2	-72	173	-32.3	0	0	112	I50 T51 Y56 N58 I99 N102	I50-Q54 HydrophobicContact CG2-CG 4.44Å; I50-Q54 WeakPolarHBondContact O-CG 3.39Å; I50-Q54 PolarHBondContact O-N 3Å; T51-Q54 PolarHBondContact O-N 2.8Å; Q54-Y56 VanDerWaalsContact C-N 3.34Å; Q54-Y56 PolarHBondContact O-N 2.92Å; Q54-N58 PolarHBondContact O-N 2.91Å; Q54-N58 PolarHBondContact O-ND2 3.09Å; Q54-I99 HydrophobicContact CG-CG2 3.79Å; Q54-I99 VanDerWaalsContact CG-O 3.27Å; Q54-I99 WeakPolarHBondContact CG-O 3.33Å; Q54-I99 PolarHBondContact NE2-O 3.5Å; Q54-N102 PolarHBondContact NE2-O 3.36Å
55	T	91.2	Very high	89	Confident	101 Å²	101	81.6 Å²	81.6	62%	0.62	41%	0.412	S	S	*	.	H	α-helix	trans	-60.5	-44.8	174.1	-56.3	0	0	0	0	111.6	T51 K52 W53	T51-T55 PolarHBondContact O-N 3.36Å; T51-T55 PolarHBondContact O-OG1 3.5Å; K52-T55 PolarHBondContact O-N 3.31Å; W53-T55 VanDerWaalsContact C-N 3.31Å; W53-T55 PolarHBondContact O-N 3.01Å
56	Y	88.9	Confident	88.9	Confident	95 Å²	95	77 Å²	77	37%	0.373	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-49.1	-179.4	-177	-106	0	0	0	112	K52 W53 Q54 N58 S59 V62 K65	K52-Y56 WeakPolarHBondContact O-CB 3.44Å; K52-Y56 PolarHBondContact O-N 3.15Å; W53-Y56 HydrophobicContact CE3-CD1 4.21Å; W53-Y56 HydrophobicContact CZ3-CD1 4.15Å; W53-Y56 HydrophobicContact CZ3-CE1 4.47Å; W53-Y56 PolarHBondContact O-N 2.86Å; W53-Y56 VanDerWaalsContact O-N 3.09Å; Q54-Y56 VanDerWaalsContact C-N 3.34Å; Q54-Y56 PolarHBondContact O-N 2.92Å; Y56-N58 PolarHBondContact O-N 2.77Å; Y56-S59 VanDerWaalsContact O-CB 3.31Å; Y56-S59 WeakPolarHBondContact O-CB 3.39Å; Y56-S59 PolarHBondContact O-N 2.94Å; Y56-S59 PolarHBondContact O-OG 2.94Å; Y56-V62 HydrophobicContact CD1-CG2 4.02Å; Y56-V62 HydrophobicContact CE1-CG1 4.44Å; Y56-V62 HydrophobicContact CE1-CG2 3.87Å; Y56-V62 WeakPolarHBondContact O-CG2 3.49Å; Y56-K65 WeakPolarHBondContact OH-CD 3.31Å; Y56-K65 PolarHBondContact OH-NZ 3.02Å; Y56-K65 VanDerWaalsContact OH-NZ 3.14Å
57	L	90.1	Very high	88.8	Confident	11 Å²	11	81.2 Å²	81.2	6%	0.058	41%	0.408	C	S	.	.	H	α-helix	trans	-63.3	-25.8	-177.9	-67.5	174.3	0	0	0	112.7	W53 S59 V62 V96 I99 Q100	W53-L57 HydrophobicContact CE3-CD2 4.21Å; W53-L57 HydrophobicContact CE3-CG 4.27Å; W53-L57 WeakPolarHBondContact O-CB 3.37Å; W53-L57 WeakPolarHBondContact O-CG 3.12Å; W53-L57 PolarHBondContact O-N 2.99Å; L57-S59 PolarHBondContact O-N 3.22Å; L57-V62 HydrophobicContact CD2-CG1 3.62Å; L57-V96 HydrophobicContact CD1-CG1 4.24Å; L57-V96 HydrophobicContact CD2-CG1 4.14Å; L57-V96 HydrophobicContact CD2-CG2 3.97Å; L57-I99 HydrophobicContact CD1-CB 3.76Å; L57-I99 HydrophobicContact CD1-CD1 4.33Å; L57-I99 HydrophobicContact CD1-CG2 3.52Å; L57-Q100 HydrophobicContact CB-CG 3.86Å; L57-Q100 HydrophobicContact CD1-CG 4.08Å; L57-Q100 PolarHBondContact O-NE2 2.77Å
58	N	84.2	Confident	88.7	Confident	114 Å²	114	85.8 Å²	85.8	61%	0.61	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.8	174.7	-70	-13.5	0	0	0	113.5	Q54 Y56 Q100	Q54-N58 PolarHBondContact O-N 2.91Å; Q54-N58 PolarHBondContact O-ND2 3.09Å; Y56-N58 PolarHBondContact O-N 2.77Å; N58-Q100 PolarHBondContact OD1-NE2 3.19Å
59	S	80.7	Confident	88.5	Confident	46 Å²	46	85.8 Å²	85.8	32%	0.322	43%	0.427	S	S	.	.	S	Bend	trans	-81.2	137.7	173.2	76	0	0	0	0	111.3	Y56 L57 S61 V62	Y56-S59 VanDerWaalsContact O-CB 3.31Å; Y56-S59 WeakPolarHBondContact O-CB 3.39Å; Y56-S59 PolarHBondContact O-N 2.94Å; Y56-S59 PolarHBondContact O-OG 2.94Å; L57-S59 PolarHBondContact O-N 3.22Å; S59-S61 PolarHBondContact O-N 3.33Å; S59-V62 VanDerWaalsContact O-CG2 3.32Å; S59-V62 WeakPolarHBondContact O-CG2 3.47Å; S59-V62 PolarHBondContact O-N 2.73Å; S59-V62 VanDerWaalsContact OG-CG2 3.3Å; S59-V62 WeakPolarHBondContact OG-CG2 3.37Å
60	T	70.1	Confident	88.5	Confident	143 Å²	143	80.4 Å²	80.4	88%	0.877	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.8	-176.3	-43.8	0	0	0	0	114.3
61	S	77.3	Confident	88.4	Confident	49 Å²	49	84.6 Å²	84.6	34%	0.343	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	0.9	-175.3	72.5	0	0	0	0	115.3	S59 K65	S59-S61 PolarHBondContact O-N 3.33Å; S61-K65 WeakPolarHBondContact O-CG 3.33Å; S61-K65 PolarHBondContact OG-NZ 2.83Å
62	V	83.7	Confident	88.3	Confident	4 Å²	4	85 Å²	85	2%	0.024	42%	0.422	C	S	.	.	H	α-helix	trans	-81.7	-38.9	-168.1	174.1	0	0	0	0	112	Y56 L57 S59 E64 K65 I66	Y56-V62 HydrophobicContact CD1-CG2 4.02Å; Y56-V62 HydrophobicContact CE1-CG1 4.44Å; Y56-V62 HydrophobicContact CE1-CG2 3.87Å; Y56-V62 WeakPolarHBondContact O-CG2 3.49Å; L57-V62 HydrophobicContact CD2-CG1 3.62Å; S59-V62 VanDerWaalsContact O-CG2 3.32Å; S59-V62 WeakPolarHBondContact O-CG2 3.47Å; S59-V62 PolarHBondContact O-N 2.73Å; S59-V62 VanDerWaalsContact OG-CG2 3.3Å; S59-V62 WeakPolarHBondContact OG-CG2 3.37Å; V62-E64 PolarHBondContact O-N 2.74Å; V62-K65 PolarHBondContact O-N 2.94Å; V62-K65 VanDerWaalsContact O-N 3.13Å; V62-I66 HydrophobicContact CG1-CD1 3.58Å; V62-I66 HydrophobicContact CG1-CG1 4.07Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.29Å
63	D	84	Confident	88.3	Confident	107 Å²	107	79.4 Å²	79.4	57%	0.572	40%	0.402	S	S	*	.	H	α-helix	trans	-60.4	-45.8	-175.9	-65.1	-22.1	0	0	0	111.2	K65 I66 E67	D63-K65 VanDerWaalsContact C-N 3.33Å; D63-K65 PolarHBondContact O-N 3.49Å; D63-I66 PolarHBondContact O-N 2.82Å; D63-E67 PolarHBondContact O-N 2.89Å
64	E	88.2	Confident	88.3	Confident	150 Å²	150	74.6 Å²	74.6	70%	0.701	38%	0.384	S	S	*	.	H	α-helix	trans	-60.6	-40.7	176.4	-65.1	-178.5	168.7	0	0	112.4	V62 E67 Q68	V62-E64 PolarHBondContact O-N 2.74Å; E64-E67 PolarHBondContact O-N 3.42Å; E64-Q68 WeakPolarHBondContact O-CB 3.18Å; E64-Q68 PolarHBondContact O-N 2.8Å
65	K	89.2	Confident	88.3	Confident	96 Å²	96	75.9 Å²	75.9	42%	0.417	40%	0.397	S	S	.	.	H	α-helix	trans	-68.2	-37.2	178.2	-71	174	-178.8	164.2	0	111.7	Y56 S61 V62 D63 F69	Y56-K65 WeakPolarHBondContact OH-CD 3.31Å; Y56-K65 PolarHBondContact OH-NZ 3.02Å; Y56-K65 VanDerWaalsContact OH-NZ 3.14Å; S61-K65 WeakPolarHBondContact O-CG 3.33Å; S61-K65 PolarHBondContact OG-NZ 2.83Å; V62-K65 PolarHBondContact O-N 2.94Å; V62-K65 VanDerWaalsContact O-N 3.13Å; D63-K65 VanDerWaalsContact C-N 3.33Å; D63-K65 PolarHBondContact O-N 3.49Å; K65-F69 WeakPolarHBondContact O-CB 3.06Å; K65-F69 PolarHBondContact O-N 3.19Å
66	I	90.7	Very high	88.2	Confident	24 Å²	24	79 Å²	79	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-64.9	-48.1	175.1	-74.9	175.6	0	0	0	110	V62 D63 Q68 F69 I70 V92 V96	V62-I66 HydrophobicContact CG1-CD1 3.58Å; V62-I66 HydrophobicContact CG1-CG1 4.07Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.29Å; D63-I66 PolarHBondContact O-N 2.82Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.36Å; I66-F69 WeakPolarHBondContact O-CB 3.44Å; I66-F69 PolarHBondContact O-N 3.27Å; I66-I70 HydrophobicContact CG2-CD1 3.69Å; I66-I70 HydrophobicContact CG2-CG1 4.39Å; I66-I70 VanDerWaalsContact O-CG1 3.26Å; I66-I70 WeakPolarHBondContact O-CG1 3.31Å; I66-I70 PolarHBondContact O-N 3.01Å; I66-V92 HydrophobicContact CD1-CG1 4.23Å; I66-V92 HydrophobicContact CG1-CG1 4.39Å; I66-V92 HydrophobicContact CG2-CB 4.46Å; I66-V92 HydrophobicContact CG2-CG1 3.53Å; I66-V96 HydrophobicContact CD1-CG2 3.56Å
67	E	92.1	Very high	88.2	Confident	101 Å²	101	80.8 Å²	80.8	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-59.7	-44.6	177.2	-73.7	-170.9	-166.6	0	0	111.7	D63 E64 F69 I70 R71	D63-E67 PolarHBondContact O-N 2.89Å; E64-E67 PolarHBondContact O-N 3.42Å; E67-F69 VanDerWaalsContact C-N 3.32Å; E67-F69 PolarHBondContact O-N 2.89Å; E67-I70 PolarHBondContact O-N 2.91Å; E67-R71 WeakPolarHBondContact O-CB 3.41Å; E67-R71 VanDerWaalsContact O-CG 3.29Å; E67-R71 WeakPolarHBondContact O-CG 3.21Å; E67-R71 PolarHBondContact O-N 2.95Å
68	Q	93.1	Very high	87.9	Confident	141 Å²	141	88.9 Å²	88.9	66%	0.659	44%	0.444	S	S	*	.	H	α-helix	trans	-61.2	-42.8	177.1	-172.9	-179.4	13.7	0	0	111.6	E64 I66 R71 S72	E64-Q68 WeakPolarHBondContact O-CB 3.18Å; E64-Q68 PolarHBondContact O-N 2.8Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.36Å; Q68-R71 PolarHBondContact O-N 3.41Å; Q68-S72 VanDerWaalsContact O-CB 3.29Å; Q68-S72 WeakPolarHBondContact O-CB 3.3Å; Q68-S72 PolarHBondContact O-N 3.2Å
69	F	91.7	Very high	88.2	Confident	122 Å²	122	89.8 Å²	89.8	54%	0.535	44%	0.443	S	S	.	.	H	α-helix	trans	-59.6	-49.5	175.3	175.8	-101.7	0	0	0	111	K65 I66 E67 R71 S72 T73 M88	K65-F69 WeakPolarHBondContact O-CB 3.06Å; K65-F69 PolarHBondContact O-N 3.19Å; I66-F69 WeakPolarHBondContact O-CB 3.44Å; I66-F69 PolarHBondContact O-N 3.27Å; E67-F69 VanDerWaalsContact C-N 3.32Å; E67-F69 PolarHBondContact O-N 2.89Å; F69-R71 PolarHBondContact O-N 3.42Å; F69-S72 PolarHBondContact O-N 3.14Å; F69-T73 WeakPolarHBondContact O-CB 3.47Å; F69-T73 PolarHBondContact O-N 3.44Å; F69-T73 PolarHBondContact O-OG1 2.95Å; F69-T73 VanDerWaalsContact O-OG1 3.06Å; F69-M88 HydrophobicContact CE1-CE 3.93Å
70	I	93.9	Very high	88.7	Confident	3 Å²	3	93.7 Å²	93.7	2%	0.015	45%	0.454	C	S	.	.	H	α-helix	trans	-58.3	-49.8	178.8	-67.3	168	0	0	0	110.9	I66 E67 S72 T73 C74 E85 M88 E89 V92	I66-I70 HydrophobicContact CG2-CD1 3.69Å; I66-I70 HydrophobicContact CG2-CG1 4.39Å; I66-I70 VanDerWaalsContact O-CG1 3.26Å; I66-I70 WeakPolarHBondContact O-CG1 3.31Å; I66-I70 PolarHBondContact O-N 3.01Å; E67-I70 PolarHBondContact O-N 2.91Å; I70-S72 VanDerWaalsContact C-N 3.32Å; I70-S72 PolarHBondContact O-N 3.36Å; I70-T73 PolarHBondContact O-N 3.13Å; I70-C74 WeakPolarHBondContact O-CB 3.25Å; I70-C74 PolarHBondContact O-N 2.81Å; I70-C74 PolarHBondContact O-SG 3.2Å; I70-C74 VanDerWaalsContact O-SG 3.38Å; I70-E85 HydrophobicContact CG2-CB 4.41Å; I70-E85 HydrophobicContact CG2-CG 4.34Å; I70-M88 HydrophobicContact CB-CB 4.35Å; I70-M88 HydrophobicContact CD1-CB 4.44Å; I70-M88 HydrophobicContact CG1-CB 3.97Å; I70-M88 HydrophobicContact CG2-CB 3.67Å; I70-E89 HydrophobicContact CD1-CG 3.94Å; I70-E89 HydrophobicContact CG2-CG 4.34Å; I70-V92 HydrophobicContact CD1-CB 4.33Å; I70-V92 HydrophobicContact CD1-CG2 4.45Å; I70-V92 HydrophobicContact CG1-CG2 4.46Å
71	R	94	Very high	89.8	Confident	110 Å²	110	92.3 Å²	92.3	42%	0.415	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-42.3	179.6	-71	-179.5	-169.8	-64.4	-0.8	111.8	E67 Q68 F69 S75 E85	E67-R71 WeakPolarHBondContact O-CB 3.41Å; E67-R71 VanDerWaalsContact O-CG 3.29Å; E67-R71 WeakPolarHBondContact O-CG 3.21Å; E67-R71 PolarHBondContact O-N 2.95Å; Q68-R71 PolarHBondContact O-N 3.41Å; F69-R71 PolarHBondContact O-N 3.42Å; R71-S75 WeakPolarHBondContact O-CB 3.32Å; R71-S75 PolarHBondContact O-N 3.08Å; R71-E85 IonicContact NH1-OE2 3.94Å
72	S	92.8	Very high	90.5	Very high	70 Å²	70	98.6 Å²	98.6	49%	0.49	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-50.4	177.4	-175	0	0	0	0	111.2	Q68 F69 I70 C74 S75	Q68-S72 VanDerWaalsContact O-CB 3.29Å; Q68-S72 WeakPolarHBondContact O-CB 3.3Å; Q68-S72 PolarHBondContact O-N 3.2Å; F69-S72 PolarHBondContact O-N 3.14Å; I70-S72 VanDerWaalsContact C-N 3.32Å; I70-S72 PolarHBondContact O-N 3.36Å; S72-C74 VanDerWaalsContact C-N 3.32Å; S72-C74 PolarHBondContact O-N 3.46Å; S72-S75 WeakPolarHBondContact O-CB 3.18Å; S72-S75 PolarHBondContact O-N 3.43Å; S72-S75 PolarHBondContact O-OG 3.33Å
73	T	91.8	Very high	91	Very high	44 Å²	44	106.9 Å²	106.9	27%	0.27	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-40.7	178.3	-60.6	0	0	0	0	112.2	F69 I70 M88	F69-T73 WeakPolarHBondContact O-CB 3.47Å; F69-T73 PolarHBondContact O-N 3.44Å; F69-T73 PolarHBondContact O-OG1 2.95Å; F69-T73 VanDerWaalsContact O-OG1 3.06Å; I70-T73 PolarHBondContact O-N 3.13Å; T73-M88 HydrophobicContact CG2-CE 4.25Å
74	C	94.3	Very high	91.5	Very high	0 Å²	0	102.8 Å²	102.8	0%	0	46%	0.461	C	S	.	.	H	α-helix	trans	-83.3	-14.8	-177.6	-65.8	0	0	0	0	114	I70 S72 F76 Y77 C84 E85	I70-C74 WeakPolarHBondContact O-CB 3.25Å; I70-C74 PolarHBondContact O-N 2.81Å; I70-C74 PolarHBondContact O-SG 3.2Å; I70-C74 VanDerWaalsContact O-SG 3.38Å; S72-C74 VanDerWaalsContact C-N 3.32Å; S72-C74 PolarHBondContact O-N 3.46Å; C74-F76 PolarHBondContact O-N 2.8Å; C74-Y77 PolarHBondContact O-N 3.28Å; C74-Y77 VanDerWaalsContact O-N 3.13Å; C74-C84 WeakPolarHBondContact CA-SG 3.42Å; C74-C84 HydrophobicContact CB-CB 3.63Å; C74-C84 WeakPolarHBondContact CB-SG 3.24Å; C74-C84 WeakPolarHBondContact SG-CB 3.41Å; C74-C84 PolarHBondContact SG-O 3.33Å; C74-C84 CovalentContact SG-SG 2.05Å; C74-C84 PolarHBondContact SG-SG 3.4Å; C74-E85 HydrophobicContact CB-CG 3.64Å; C74-E85 PolarHBondContact SG-N 3.28Å
75	S	92.7	Very high	91.9	Very high	63 Å²	63	96.8 Å²	96.8	44%	0.441	43%	0.433	S	S	.	.	H	α-helix	trans	-61.1	-28.1	178.5	72.8	0	0	0	0	113.4	R71 S72 Y77	R71-S75 WeakPolarHBondContact O-CB 3.32Å; R71-S75 PolarHBondContact O-N 3.08Å; S72-S75 WeakPolarHBondContact O-CB 3.18Å; S72-S75 PolarHBondContact O-N 3.43Å; S72-S75 PolarHBondContact O-OG 3.33Å; S75-Y77 PolarHBondContact O-N 3.31Å
76	F	88.6	Confident	92.2	Very high	165 Å²	165	96 Å²	96	72%	0.724	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.1	177.7	-68.4	-75.9	0	0	0	113.4	C74	C74-F76 PolarHBondContact O-N 2.8Å
77	Y	88.3	Confident	92.4	Very high	134 Å²	134	100.1 Å²	100.1	53%	0.525	45%	0.448	S	S	.	.			trans	-105.2	79.1	-172.7	-61.9	-79.3	0	0	0	111.9	C74 S75 F79 F80 R81	C74-Y77 PolarHBondContact O-N 3.28Å; C74-Y77 VanDerWaalsContact O-N 3.13Å; S75-Y77 PolarHBondContact O-N 3.31Å; Y77-F79 VanDerWaalsContact C-N 3.34Å; Y77-F79 PolarHBondContact O-N 2.83Å; Y77-F80 CarbonylContact O-C 3.49Å; Y77-F80 PolarHBondContact O-N 2.05Å; Y77-F80 VanDerWaalsContact O-N 3.08Å; Y77-R81 VanDerWaalsContact O-CA 3.28Å; Y77-R81 WeakPolarHBondContact O-CA 3.26Å; Y77-R81 VanDerWaalsContact O-CB 3.29Å; Y77-R81 WeakPolarHBondContact O-CB 3.19Å; Y77-R81 PolarHBondContact O-N 3.38Å
78	F	85.6	Confident	92.6	Very high	180 Å²	180	97 Å²	97	79%	0.789	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-46.8	-175.4	-171.1	-97.6	0	0	0	114.3
79	F	90.2	Very high	92.6	Very high	134 Å²	134	94 Å²	94	59%	0.588	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-22	-179.1	-67.2	-71.3	0	0	0	114.4	C6 T10 Y77	C6-F79 HydrophobicContact CB-CZ 4.43Å; T10-F79 HydrophobicContact CG2-CD2 4.5Å; T10-F79 HydrophobicContact CG2-CE2 4.04Å; Y77-F79 VanDerWaalsContact C-N 3.34Å; Y77-F79 PolarHBondContact O-N 2.83Å
80	F	90.5	Very high	92.8	Very high	127 Å²	127	95.4 Å²	95.4	56%	0.557	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	7.7	-175.1	-61.6	-78	0	0	0	113.1	Y77 Y82 R83 C84	Y77-F80 CarbonylContact O-C 3.49Å; Y77-F80 PolarHBondContact O-N 2.05Å; Y77-F80 VanDerWaalsContact O-N 3.08Å; F80-Y82 VanDerWaalsContact C-N 3.35Å; F80-Y82 PolarHBondContact O-N 3.43Å; F80-R83 PolarHBondContact O-N 2.84Å; F80-R83 VanDerWaalsContact O-N 3.08Å; F80-C84 WeakPolarHBondContact O-CB 3.31Å; F80-C84 PolarHBondContact O-N 3.45Å
81	R	92.4	Very high	92.9	Very high	115 Å²	115	101.2 Å²	101.2	43%	0.434	44%	0.444	S	S	.	.	H	α-helix	trans	-52.2	-52.1	-171.7	-179.8	175.5	173.2	-179.3	-0.5	111.9	Y77 R83 C84 E85	Y77-R81 VanDerWaalsContact O-CA 3.28Å; Y77-R81 WeakPolarHBondContact O-CA 3.26Å; Y77-R81 VanDerWaalsContact O-CB 3.29Å; Y77-R81 WeakPolarHBondContact O-CB 3.19Å; Y77-R81 PolarHBondContact O-N 3.38Å; R81-R83 PolarHBondContact O-N 3.35Å; R81-C84 WeakPolarHBondContact O-CB 3.15Å; R81-C84 PolarHBondContact O-N 3.48Å; R81-E85 HydrophobicContact CG-CG 4.4Å; R81-E85 IonicContact CZ-OE1 3.56Å; R81-E85 IonicContact NE-OE1 2.84Å; R81-E85 PolarHBondContact NE-OE1 3.26Å; R81-E85 IonicContact NH2-OE1 3.35Å; R81-E85 PolarHBondContact NH2-OE1 2.93Å; R81-E85 WeakPolarHBondContact O-CG 3.44Å; R81-E85 PolarHBondContact O-N 2.9Å
82	Y	93	Very high	92.8	Very high	180 Å²	180	97.5 Å²	97.5	71%	0.706	43%	0.433	S	S	*	.	H	α-helix	trans	-59.6	-45.6	179.8	178.1	-101.8	0	0	0	112.5	F80 C84 E85 E86	F80-Y82 VanDerWaalsContact C-N 3.35Å; F80-Y82 PolarHBondContact O-N 3.43Å; Y82-C84 VanDerWaalsContact C-N 3.32Å; Y82-C84 PolarHBondContact O-N 2.9Å; Y82-E85 PolarHBondContact O-N 3.06Å; Y82-E86 WeakPolarHBondContact O-CB 3.42Å; Y82-E86 PolarHBondContact O-N 2.95Å
83	R	94	Very high	92.7	Very high	178 Å²	178	98.4 Å²	98.4	67%	0.672	43%	0.433	S	S	*	.	H	α-helix	trans	-68	-33.5	178.4	-177.2	174.2	-76.8	-173.9	-3.4	112.1	F80 R81 F87	F80-R83 PolarHBondContact O-N 2.84Å; F80-R83 VanDerWaalsContact O-N 3.08Å; R81-R83 PolarHBondContact O-N 3.35Å; R83-F87 WeakPolarHBondContact O-CB 3.03Å; R83-F87 PolarHBondContact O-N 2.97Å
84	C	95.2	Very high	92.8	Very high	22 Å²	22	102.5 Å²	102.5	15%	0.149	45%	0.447	C	S	.	.	H	α-helix	trans	-65.7	-48.9	172.9	176.8	0	0	0	0	110.6	C74 F80 R81 Y82 E86 F87 M88	C74-C84 WeakPolarHBondContact CA-SG 3.42Å; C74-C84 HydrophobicContact CB-CB 3.63Å; C74-C84 WeakPolarHBondContact CB-SG 3.24Å; C74-C84 WeakPolarHBondContact SG-CB 3.41Å; C74-C84 PolarHBondContact SG-O 3.33Å; C74-C84 CovalentContact SG-SG 2.05Å; C74-C84 PolarHBondContact SG-SG 3.4Å; F80-C84 WeakPolarHBondContact O-CB 3.31Å; F80-C84 PolarHBondContact O-N 3.45Å; R81-C84 WeakPolarHBondContact O-CB 3.15Å; R81-C84 PolarHBondContact O-N 3.48Å; Y82-C84 VanDerWaalsContact C-N 3.32Å; Y82-C84 PolarHBondContact O-N 2.9Å; C84-E86 PolarHBondContact O-N 3.44Å; C84-F87 PolarHBondContact O-N 2.77Å; C84-M88 VanDerWaalsContact O-CB 3.31Å; C84-M88 WeakPolarHBondContact O-CB 3.38Å; C84-M88 WeakPolarHBondContact O-CG 3.4Å; C84-M88 PolarHBondContact O-N 2.74Å
85	E	95.9	Very high	92.7	Very high	24 Å²	24	106 Å²	106	11%	0.112	47%	0.468	C	S	.	.	H	α-helix	trans	-58.6	-49.7	178.7	-72.1	177.8	-178.5	0	0	109.7	I70 R71 C74 R81 Y82 F87 M88 E89	I70-E85 HydrophobicContact CG2-CB 4.41Å; I70-E85 HydrophobicContact CG2-CG 4.34Å; R71-E85 IonicContact NH1-OE2 3.94Å; C74-E85 HydrophobicContact CB-CG 3.64Å; C74-E85 PolarHBondContact SG-N 3.28Å; R81-E85 HydrophobicContact CG-CG 4.4Å; R81-E85 IonicContact CZ-OE1 3.56Å; R81-E85 IonicContact NE-OE1 2.84Å; R81-E85 PolarHBondContact NE-OE1 3.26Å; R81-E85 IonicContact NH2-OE1 3.35Å; R81-E85 PolarHBondContact NH2-OE1 2.93Å; R81-E85 WeakPolarHBondContact O-CG 3.44Å; R81-E85 PolarHBondContact O-N 2.9Å; Y82-E85 PolarHBondContact O-N 3.06Å; E85-F87 PolarHBondContact O-N 2.81Å; E85-M88 PolarHBondContact O-N 3.08Å; E85-E89 VanDerWaalsContact O-CB 3.32Å; E85-E89 WeakPolarHBondContact O-CB 3.1Å; E85-E89 VanDerWaalsContact O-CG 3.25Å; E85-E89 WeakPolarHBondContact O-CG 3.43Å; E85-E89 PolarHBondContact O-N 3.2Å
86	E	95.6	Very high	92.7	Very high	80 Å²	80	103.8 Å²	103.8	37%	0.374	45%	0.452	S	S	.	.	H	α-helix	trans	-58.8	-43.7	177	-168.8	-160	169	0	0	112.9	Y82 C84 R90	Y82-E86 WeakPolarHBondContact O-CB 3.42Å; Y82-E86 PolarHBondContact O-N 2.95Å; C84-E86 PolarHBondContact O-N 3.44Å; E86-R90 WeakPolarHBondContact O-CB 3.07Å; E86-R90 PolarHBondContact O-N 3.26Å; E86-R90 VanDerWaalsContact O-N 3.13Å; E86-R90 IonicContact OE1-NH2 2.93Å; E86-R90 PolarHBondContact OE1-NH2 2.89Å
87	F	95.3	Very high	92.9	Very high	109 Å²	109	102.6 Å²	102.6	48%	0.478	44%	0.444	S	S	.	.	H	α-helix	trans	-63.8	-51.1	177.9	176	-90.8	0	0	0	110.9	R83 C84 E85 R90 Y91	R83-F87 WeakPolarHBondContact O-CB 3.03Å; R83-F87 PolarHBondContact O-N 2.97Å; C84-F87 PolarHBondContact O-N 2.77Å; E85-F87 PolarHBondContact O-N 2.81Å; F87-R90 PolarHBondContact O-N 3.23Å; F87-Y91 HydrophobicContact CD1-CD2 4.17Å; F87-Y91 AromaticContact CD2-CD2 3.7Å; F87-Y91 HydrophobicContact CD2-CD2 3.7Å; F87-Y91 AromaticContact CD2-CE2 3.51Å; F87-Y91 HydrophobicContact CD2-CE2 3.51Å; F87-Y91 AromaticContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CE2 4.37Å; F87-Y91 HydrophobicContact CE1-CG 4.49Å; F87-Y91 AromaticContact CE2-CD2 3.47Å; F87-Y91 HydrophobicContact CE2-CD2 3.47Å; F87-Y91 VanDerWaalsContact CE2-CD2 3.47Å; F87-Y91 AromaticContact CE2-CE2 3.09Å; F87-Y91 HydrophobicContact CE2-CE2 3.09Å; F87-Y91 AromaticContact CE2-CZ 3.89Å; F87-Y91 HydrophobicContact CG-CD2 4.05Å; F87-Y91 HydrophobicContact CG-CE2 4.32Å; F87-Y91 AromaticContact CZ-CD2 3.58Å; F87-Y91 HydrophobicContact CZ-CD2 3.58Å; F87-Y91 AromaticContact CZ-CE2 3.58Å; F87-Y91 HydrophobicContact CZ-CE2 3.58Å; F87-Y91 HydrophobicContact CZ-CG 4.26Å; F87-Y91 VanDerWaalsContact O-CD2 3.32Å; F87-Y91 WeakPolarHBondContact O-CD2 3.42Å; F87-Y91 PolarHBondContact O-N 3.26Å
88	M	95	Very high	93.2	Very high	37 Å²	37	99.2 Å²	99.2	18%	0.182	43%	0.434	C	S	.	.	H	α-helix	trans	-64.5	-45.1	-177.2	-71	-67.6	-70.1	0	0	111.1	F69 I70 T73 C84 E85 R90 Y91 V92	F69-M88 HydrophobicContact CE1-CE 3.93Å; I70-M88 HydrophobicContact CB-CB 4.35Å; I70-M88 HydrophobicContact CD1-CB 4.44Å; I70-M88 HydrophobicContact CG1-CB 3.97Å; I70-M88 HydrophobicContact CG2-CB 3.67Å; T73-M88 HydrophobicContact CG2-CE 4.25Å; C84-M88 VanDerWaalsContact O-CB 3.31Å; C84-M88 WeakPolarHBondContact O-CB 3.38Å; C84-M88 WeakPolarHBondContact O-CG 3.4Å; C84-M88 PolarHBondContact O-N 2.74Å; E85-M88 PolarHBondContact O-N 3.08Å; M88-R90 VanDerWaalsContact C-N 3.3Å; M88-R90 PolarHBondContact O-N 3.36Å; M88-Y91 PolarHBondContact O-N 2.95Å; M88-V92 HydrophobicContact CE-CG2 4.25Å; M88-V92 WeakPolarHBondContact O-CB 3.33Å; M88-V92 WeakPolarHBondContact O-CG2 3.47Å; M88-V92 PolarHBondContact O-N 3.35Å
89	E	94.6	Very high	93.6	Very high	76 Å²	76	91.9 Å²	91.9	36%	0.355	40%	0.403	S	S	.	.	H	α-helix	trans	-54	-48.3	173.9	-75.9	173.2	-172.3	0	0	110.9	I70 E85 Y91 N93	I70-E89 HydrophobicContact CD1-CG 3.94Å; I70-E89 HydrophobicContact CG2-CG 4.34Å; E85-E89 VanDerWaalsContact O-CB 3.32Å; E85-E89 WeakPolarHBondContact O-CB 3.1Å; E85-E89 VanDerWaalsContact O-CG 3.25Å; E85-E89 WeakPolarHBondContact O-CG 3.43Å; E85-E89 PolarHBondContact O-N 3.2Å; E89-Y91 PolarHBondContact O-N 2.68Å; E89-N93 WeakPolarHBondContact O-CB 3.21Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-ND2 3.13Å; E89-N93 VanDerWaalsContact O-ND2 3.15Å
90	R	95.1	Very high	93.7	Very high	153 Å²	153	88.6 Å²	88.6	58%	0.577	39%	0.39	S	S	*	.	H	α-helix	trans	-60.9	-49.6	179.4	-173.3	-176.1	-57.6	-169.5	3.6	112.8	E86 F87 M88 K94	E86-R90 WeakPolarHBondContact O-CB 3.07Å; E86-R90 PolarHBondContact O-N 3.26Å; E86-R90 VanDerWaalsContact O-N 3.13Å; E86-R90 IonicContact OE1-NH2 2.93Å; E86-R90 PolarHBondContact OE1-NH2 2.89Å; F87-R90 PolarHBondContact O-N 3.23Å; M88-R90 VanDerWaalsContact C-N 3.3Å; M88-R90 PolarHBondContact O-N 3.36Å; R90-K94 VanDerWaalsContact O-CB 3.27Å; R90-K94 WeakPolarHBondContact O-CB 3.29Å; R90-K94 PolarHBondContact O-N 3.42Å; R90-K94 VanDerWaalsContact O-N 3.14Å
91	Y	95.1	Very high	93.9	Very high	124 Å²	124	88.3 Å²	88.3	49%	0.486	39%	0.39	S	S	.	.	H	α-helix	trans	-77.6	-38.2	-174	-82.5	-86.5	0	0	0	112.8	F87 M88 E89 K94 T95	F87-Y91 HydrophobicContact CD1-CD2 4.17Å; F87-Y91 AromaticContact CD2-CD2 3.7Å; F87-Y91 HydrophobicContact CD2-CD2 3.7Å; F87-Y91 AromaticContact CD2-CE2 3.51Å; F87-Y91 HydrophobicContact CD2-CE2 3.51Å; F87-Y91 AromaticContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CD2 3.94Å; F87-Y91 HydrophobicContact CE1-CE2 4.37Å; F87-Y91 HydrophobicContact CE1-CG 4.49Å; F87-Y91 AromaticContact CE2-CD2 3.47Å; F87-Y91 HydrophobicContact CE2-CD2 3.47Å; F87-Y91 VanDerWaalsContact CE2-CD2 3.47Å; F87-Y91 AromaticContact CE2-CE2 3.09Å; F87-Y91 HydrophobicContact CE2-CE2 3.09Å; F87-Y91 AromaticContact CE2-CZ 3.89Å; F87-Y91 HydrophobicContact CG-CD2 4.05Å; F87-Y91 HydrophobicContact CG-CE2 4.32Å; F87-Y91 AromaticContact CZ-CD2 3.58Å; F87-Y91 HydrophobicContact CZ-CD2 3.58Å; F87-Y91 AromaticContact CZ-CE2 3.58Å; F87-Y91 HydrophobicContact CZ-CE2 3.58Å; F87-Y91 HydrophobicContact CZ-CG 4.26Å; F87-Y91 VanDerWaalsContact O-CD2 3.32Å; F87-Y91 WeakPolarHBondContact O-CD2 3.42Å; F87-Y91 PolarHBondContact O-N 3.26Å; M88-Y91 PolarHBondContact O-N 2.95Å; E89-Y91 PolarHBondContact O-N 2.68Å; Y91-K94 PolarHBondContact O-N 2.82Å; Y91-T95 WeakPolarHBondContact O-CB 3.29Å; Y91-T95 PolarHBondContact O-N 2.74Å; Y91-T95 PolarHBondContact O-OG1 3.11Å
92	V	92.8	Very high	94	Very high	32 Å²	32	86 Å²	86	19%	0.194	39%	0.386	C	S	.	.	H	α-helix	trans	-67	-47.4	176.7	177.6	0	0	0	0	109.9	I66 I70 M88 K94 T95 V96	I66-V92 HydrophobicContact CD1-CG1 4.23Å; I66-V92 HydrophobicContact CG1-CG1 4.39Å; I66-V92 HydrophobicContact CG2-CB 4.46Å; I66-V92 HydrophobicContact CG2-CG1 3.53Å; I70-V92 HydrophobicContact CD1-CB 4.33Å; I70-V92 HydrophobicContact CD1-CG2 4.45Å; I70-V92 HydrophobicContact CG1-CG2 4.46Å; M88-V92 HydrophobicContact CE-CG2 4.25Å; M88-V92 WeakPolarHBondContact O-CB 3.33Å; M88-V92 WeakPolarHBondContact O-CG2 3.47Å; M88-V92 PolarHBondContact O-N 3.35Å; V92-K94 VanDerWaalsContact C-N 3.3Å; V92-K94 PolarHBondContact O-N 2.87Å; V92-T95 WeakPolarHBondContact O-CA 3.35Å; V92-T95 WeakPolarHBondContact O-CB 3.46Å; V92-T95 PolarHBondContact O-N 2.65Å; V92-V96 HydrophobicContact CG1-CG2 4.34Å; V92-V96 WeakPolarHBondContact O-CG2 3.47Å; V92-V96 PolarHBondContact O-N 3.21Å
93	N	91.4	Very high	94.1	Very high	90 Å²	90	82 Å²	82	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-40.2	177.9	-67.6	-13.7	0	0	0	111.7	E89 T95 V96 Y97	E89-N93 WeakPolarHBondContact O-CB 3.21Å; E89-N93 PolarHBondContact O-N 3.26Å; E89-N93 PolarHBondContact O-ND2 3.13Å; E89-N93 VanDerWaalsContact O-ND2 3.15Å; N93-T95 VanDerWaalsContact C-N 3.33Å; N93-T95 PolarHBondContact O-N 3.28Å; N93-V96 PolarHBondContact O-N 3.02Å; N93-Y97 WeakPolarHBondContact O-CB 3.39Å; N93-Y97 PolarHBondContact O-N 3.45Å
94	K	93.7	Very high	94.1	Very high	129 Å²	129	73.8 Å²	73.8	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-62.2	-40.4	173.2	-176	174.9	-180	-179.9	0	112.1	R90 Y91 V92 Y97 I98	R90-K94 VanDerWaalsContact O-CB 3.27Å; R90-K94 WeakPolarHBondContact O-CB 3.29Å; R90-K94 PolarHBondContact O-N 3.42Å; R90-K94 VanDerWaalsContact O-N 3.14Å; Y91-K94 PolarHBondContact O-N 2.82Å; V92-K94 VanDerWaalsContact C-N 3.3Å; V92-K94 PolarHBondContact O-N 2.87Å; K94-Y97 PolarHBondContact O-N 3.07Å; K94-I98 HydrophobicContact CG-CD1 3.97Å; K94-I98 WeakPolarHBondContact O-CB 3.33Å; K94-I98 WeakPolarHBondContact O-CD1 3.33Å; K94-I98 VanDerWaalsContact O-CG1 3.23Å; K94-I98 WeakPolarHBondContact O-CG1 3.48Å; K94-I98 PolarHBondContact O-N 3.09Å
95	T	92.6	Very high	94.1	Very high	73 Å²	73	75.2 Å²	75.2	45%	0.448	36%	0.355	S	S	.	.	H	α-helix	trans	-66.4	-45.7	178.9	-58	0	0	0	0	111.2	Y91 V92 N93 Y97 I98 I99	Y91-T95 WeakPolarHBondContact O-CB 3.29Å; Y91-T95 PolarHBondContact O-N 2.74Å; Y91-T95 PolarHBondContact O-OG1 3.11Å; V92-T95 WeakPolarHBondContact O-CA 3.35Å; V92-T95 WeakPolarHBondContact O-CB 3.46Å; V92-T95 PolarHBondContact O-N 2.65Å; N93-T95 VanDerWaalsContact C-N 3.33Å; N93-T95 PolarHBondContact O-N 3.28Å; T95-Y97 VanDerWaalsContact C-N 3.34Å; T95-Y97 PolarHBondContact O-N 3.23Å; T95-I98 PolarHBondContact O-N 3.45Å; T95-I99 HydrophobicContact CG2-CD1 3.91Å; T95-I99 WeakPolarHBondContact O-CG1 3.14Å; T95-I99 PolarHBondContact O-N 3.5Å
96	V	92.7	Very high	94.1	Very high	18 Å²	18	77.6 Å²	77.6	11%	0.109	37%	0.372	C	S	.	.	H	α-helix	trans	-57.4	-48.2	174.3	170.5	0	0	0	0	110.7	L57 I66 V92 N93 I98 I99 Q100	L57-V96 HydrophobicContact CD1-CG1 4.24Å; L57-V96 HydrophobicContact CD2-CG1 4.14Å; L57-V96 HydrophobicContact CD2-CG2 3.97Å; I66-V96 HydrophobicContact CD1-CG2 3.56Å; V92-V96 HydrophobicContact CG1-CG2 4.34Å; V92-V96 WeakPolarHBondContact O-CG2 3.47Å; V92-V96 PolarHBondContact O-N 3.21Å; N93-V96 PolarHBondContact O-N 3.02Å; V96-I98 VanDerWaalsContact C-N 3.35Å; V96-I98 PolarHBondContact O-N 3.23Å; V96-I99 PolarHBondContact O-N 3.34Å; V96-Q100 HydrophobicContact CG1-CG 4.37Å; V96-Q100 WeakPolarHBondContact O-CB 3.28Å; V96-Q100 WeakPolarHBondContact O-CG 3.29Å; V96-Q100 PolarHBondContact O-N 2.78Å
97	Y	92.8	Very high	94.1	Very high	140 Å²	140	74.7 Å²	74.7	55%	0.549	36%	0.358	S	S	.	.	H	α-helix	trans	-57	-47.2	176.9	178.8	-94.2	0	0	0	112	N93 K94 T95 I99 Q100 H101	N93-Y97 WeakPolarHBondContact O-CB 3.39Å; N93-Y97 PolarHBondContact O-N 3.45Å; K94-Y97 PolarHBondContact O-N 3.07Å; T95-Y97 VanDerWaalsContact C-N 3.34Å; T95-Y97 PolarHBondContact O-N 3.23Å; Y97-I99 PolarHBondContact O-N 3.46Å; Y97-Q100 PolarHBondContact O-N 3.13Å; Y97-H101 AromaticContact CD2-CE1 3.68Å; Y97-H101 AromaticContact CD2-ND1 3.49Å; Y97-H101 WeakPolarHBondContact CD2-ND1 3.49Å; Y97-H101 AromaticContact CE2-CE1 3.77Å; Y97-H101 AromaticContact CE2-CG 3.95Å; Y97-H101 AromaticContact CE2-ND1 3.64Å; Y97-H101 WeakPolarHBondContact O-CB 3.47Å; Y97-H101 PolarHBondContact O-N 3.43Å; Y97-H101 PolarHBondContact O-ND1 3.22Å
98	I	94.3	Very high	94.1	Very high	62 Å²	62	69.5 Å²	69.5	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-47.4	177.5	-72.1	165.4	0	0	0	110.6	K94 T95 V96 N102 L107	K94-I98 HydrophobicContact CG-CD1 3.97Å; K94-I98 WeakPolarHBondContact O-CB 3.33Å; K94-I98 WeakPolarHBondContact O-CD1 3.33Å; K94-I98 VanDerWaalsContact O-CG1 3.23Å; K94-I98 WeakPolarHBondContact O-CG1 3.48Å; K94-I98 PolarHBondContact O-N 3.09Å; T95-I98 PolarHBondContact O-N 3.45Å; V96-I98 VanDerWaalsContact C-N 3.35Å; V96-I98 PolarHBondContact O-N 3.23Å; I98-N102 VanDerWaalsContact O-CB 3.29Å; I98-N102 WeakPolarHBondContact O-CB 3.31Å; I98-N102 PolarHBondContact O-N 2.97Å; I98-N102 PolarHBondContact O-ND2 3.31Å; I98-L107 HydrophobicContact CG2-CD2 3.51Å
99	I	94.3	Very high	94.1	Very high	26 Å²	26	74.4 Å²	74.4	13%	0.133	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-46.2	-179.6	-66.6	168.6	0	0	0	110.8	I50 W53 Q54 L57 T95 V96 Y97 H101	I50-I99 HydrophobicContact CG2-CG2 4.44Å; W53-I99 HydrophobicContact CB-CG2 3.98Å; Q54-I99 HydrophobicContact CG-CG2 3.79Å; Q54-I99 VanDerWaalsContact CG-O 3.27Å; Q54-I99 WeakPolarHBondContact CG-O 3.33Å; Q54-I99 PolarHBondContact NE2-O 3.5Å; L57-I99 HydrophobicContact CD1-CB 3.76Å; L57-I99 HydrophobicContact CD1-CD1 4.33Å; L57-I99 HydrophobicContact CD1-CG2 3.52Å; T95-I99 HydrophobicContact CG2-CD1 3.91Å; T95-I99 WeakPolarHBondContact O-CG1 3.14Å; T95-I99 PolarHBondContact O-N 3.5Å; V96-I99 PolarHBondContact O-N 3.34Å; Y97-I99 PolarHBondContact O-N 3.46Å; I99-H101 PolarHBondContact O-N 2.92Å
100	Q	92	Very high	94.1	Very high	66 Å²	66	77.5 Å²	77.5	31%	0.308	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-36.2	-177.4	-75	178.1	-48.1	0	0	113.7	L57 N58 V96 Y97	L57-Q100 HydrophobicContact CB-CG 3.86Å; L57-Q100 HydrophobicContact CD1-CG 4.08Å; L57-Q100 PolarHBondContact O-NE2 2.77Å; N58-Q100 PolarHBondContact OD1-NE2 3.19Å; V96-Q100 HydrophobicContact CG1-CG 4.37Å; V96-Q100 WeakPolarHBondContact O-CB 3.28Å; V96-Q100 WeakPolarHBondContact O-CG 3.29Å; V96-Q100 PolarHBondContact O-N 2.78Å; Y97-Q100 PolarHBondContact O-N 3.13Å
101	H	93.4	Very high	93.8	Very high	120 Å²	120	72.6 Å²	72.6	56%	0.556	36%	0.361	S	S	*	.	H	α-helix	trans	-105.2	2.5	-168.7	-62.3	81.7	0	0	0	114.5	Y97 I99	Y97-H101 AromaticContact CD2-CE1 3.68Å; Y97-H101 AromaticContact CD2-ND1 3.49Å; Y97-H101 WeakPolarHBondContact CD2-ND1 3.49Å; Y97-H101 AromaticContact CE2-CE1 3.77Å; Y97-H101 AromaticContact CE2-CG 3.95Å; Y97-H101 AromaticContact CE2-ND1 3.64Å; Y97-H101 WeakPolarHBondContact O-CB 3.47Å; Y97-H101 PolarHBondContact O-N 3.43Å; Y97-H101 PolarHBondContact O-ND1 3.22Å; I99-H101 PolarHBondContact O-N 2.92Å
102	N	95.2	Very high	93.6	Very high	66 Å²	66	72.5 Å²	72.5	35%	0.353	38%	0.376	S	S	.	.	S	Bend	trans	-116.5	151.8	176.5	-68.5	-91.6	0	0	0	111.2	Q54 I98 L107	Q54-N102 PolarHBondContact NE2-O 3.36Å; I98-N102 VanDerWaalsContact O-CB 3.29Å; I98-N102 WeakPolarHBondContact O-CB 3.31Å; I98-N102 PolarHBondContact O-N 2.97Å; I98-N102 PolarHBondContact O-ND2 3.31Å; N102-L107 HydrophobicContact CB-CD1 3.96Å; N102-L107 HydrophobicContact CB-CD2 3.76Å; N102-L107 HydrophobicContact CB-CG 3.76Å
103	N	94.9	Very high	93.5	Very high	97 Å²	97	74.5 Å²	74.5	52%	0.519	39%	0.385	S	S	.	.			trans	-69.8	136.7	175.6	176.9	-80.5	0	0	0	110.8	T105 T106 L107	N103-T105 VanDerWaalsContact C-N 3.3Å; N103-T105 PolarHBondContact O-N 3.48Å; N103-T105 WeakPolarHBondContact OD1-CA 3.47Å; N103-T105 WeakPolarHBondContact OD1-CB 3.41Å; N103-T105 PolarHBondContact OD1-N 2.86Å; N103-T105 PolarHBondContact OD1-OG1 3.31Å; N103-T106 WeakPolarHBondContact O-CA 3.41Å; N103-T106 WeakPolarHBondContact O-CB 3.32Å; N103-T106 PolarHBondContact O-N 2.85Å; N103-T106 PolarHBondContact OD1-N 3.47Å; N103-L107 PolarHBondContact O-N 2.79Å
104	A	94.9	Very high	93.3	Very high	5 Å²	5	73.3 Å²	73.3	4%	0.041	38%	0.383	C	S	.	.	H	α-helix	trans	-54.9	-42.1	-178.2	0	0	0	0	0	113.3	I47 I50 T106 L107 C108	I47-A104 HydrophobicContact CG2-CB 4.14Å; I50-A104 HydrophobicContact CB-CB 3.91Å; I50-A104 HydrophobicContact CG2-CB 3.69Å; A104-T106 VanDerWaalsContact C-N 3.3Å; A104-T106 PolarHBondContact O-N 3.31Å; A104-L107 PolarHBondContact O-N 3.11Å; A104-C108 WeakPolarHBondContact O-CB 3.36Å; A104-C108 PolarHBondContact O-N 3.26Å; A104-C108 PolarHBondContact O-SG 3.16Å
105	T	94.8	Very high	93.3	Very high	52 Å²	52	70.6 Å²	70.6	32%	0.319	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-37.3	175.4	-51.6	0	0	0	0	111.9	I47 N103 C108 K109	I47-T105 HydrophobicContact CD1-CG2 4.3Å; N103-T105 VanDerWaalsContact C-N 3.3Å; N103-T105 PolarHBondContact O-N 3.48Å; N103-T105 WeakPolarHBondContact OD1-CA 3.47Å; N103-T105 WeakPolarHBondContact OD1-CB 3.41Å; N103-T105 PolarHBondContact OD1-N 2.86Å; N103-T105 PolarHBondContact OD1-OG1 3.31Å; T105-C108 PolarHBondContact O-N 3.44Å; T105-K109 HydrophobicContact CG2-CD 4.45Å; T105-K109 VanDerWaalsContact O-CG 3.3Å; T105-K109 WeakPolarHBondContact O-CG 3.27Å; T105-K109 PolarHBondContact O-N 3.44Å; T105-K109 VanDerWaalsContact O-N 3.1Å
106	T	96	Very high	93.3	Very high	75 Å²	75	70.4 Å²	70.4	46%	0.46	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-42.8	177.4	-58.1	0	0	0	0	110.9	N103 A104 K109	N103-T106 WeakPolarHBondContact O-CA 3.41Å; N103-T106 WeakPolarHBondContact O-CB 3.32Å; N103-T106 PolarHBondContact O-N 2.85Å; N103-T106 PolarHBondContact OD1-N 3.47Å; A104-T106 VanDerWaalsContact C-N 3.3Å; A104-T106 PolarHBondContact O-N 3.31Å; T106-K109 PolarHBondContact O-N 3.41Å
107	L	95.8	Very high	93.4	Very high	18 Å²	18	73.3 Å²	73.3	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-64.4	-41	176.8	-67.8	175.5	0	0	0	112	I50 I98 N102 N103 A104 K109 L110	I50-L107 HydrophobicContact CG2-CD1 3.72Å; I98-L107 HydrophobicContact CG2-CD2 3.51Å; N102-L107 HydrophobicContact CB-CD1 3.96Å; N102-L107 HydrophobicContact CB-CD2 3.76Å; N102-L107 HydrophobicContact CB-CG 3.76Å; N103-L107 PolarHBondContact O-N 2.79Å; A104-L107 PolarHBondContact O-N 3.11Å; L107-K109 PolarHBondContact O-N 3.02Å; L107-L110 HydrophobicContact CD2-CD1 4.3Å; L107-L110 WeakPolarHBondContact O-CB 3.05Å; L107-L110 PolarHBondContact O-N 3.24Å; L107-L110 VanDerWaalsContact O-N 3.14Å
108	C	95.1	Very high	93.4	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-68.6	-32.2	179.6	-67.9	0	0	0	0	113.4	C46 I47 A104 T105 L110 T111 C114	C46-C108 HydrophobicContact CB-CB 3.79Å; C46-C108 WeakPolarHBondContact CB-SG 3.16Å; C46-C108 PolarHBondContact O-SG 3.46Å; C46-C108 WeakPolarHBondContact SG-CA 3.24Å; C46-C108 WeakPolarHBondContact SG-CB 3.32Å; C46-C108 CovalentContact SG-SG 2.04Å; C46-C108 PolarHBondContact SG-SG 2.93Å; I47-C108 HydrophobicContact CG1-CB 4.33Å; I47-C108 PolarHBondContact N-SG 2.87Å; A104-C108 WeakPolarHBondContact O-CB 3.36Å; A104-C108 PolarHBondContact O-N 3.26Å; A104-C108 PolarHBondContact O-SG 3.16Å; T105-C108 PolarHBondContact O-N 3.44Å; C108-L110 PolarHBondContact O-N 2.97Å; C108-T111 PolarHBondContact O-N 3.5Å; C108-T111 PolarHBondContact O-OG1 3.32Å; C108-C114 HydrophobicContact CB-CB 4.28Å; C108-C114 WeakPolarHBondContact CB-SG 3.4Å
109	K	95.3	Very high	93.3	Very high	141 Å²	141	69.9 Å²	69.9	61%	0.613	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.8	171.7	-76.1	176	175.8	-175.9	0	114.5	T105 T106 L107 C114	T105-K109 HydrophobicContact CG2-CD 4.45Å; T105-K109 VanDerWaalsContact O-CG 3.3Å; T105-K109 WeakPolarHBondContact O-CG 3.27Å; T105-K109 PolarHBondContact O-N 3.44Å; T105-K109 VanDerWaalsContact O-N 3.1Å; T106-K109 PolarHBondContact O-N 3.41Å; L107-K109 PolarHBondContact O-N 3.02Å; K109-C114 HydrophobicContact CG-CB 3.97Å
110	L	93.9	Very high	93.3	Very high	140 Å²	140	72.8 Å²	72.8	73%	0.733	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.2	171.5	-57.4	176.6	0	0	0	112.3	L107 C108	L107-L110 HydrophobicContact CD2-CD1 4.3Å; L107-L110 WeakPolarHBondContact O-CB 3.05Å; L107-L110 PolarHBondContact O-N 3.24Å; L107-L110 VanDerWaalsContact O-N 3.14Å; C108-L110 PolarHBondContact O-N 2.97Å
111	T	89.9	Confident	93.4	Very high	50 Å²	50	73.3 Å²	73.3	31%	0.307	40%	0.402	S	S	.	.	S	Bend	trans	-120.8	159.4	-179.3	74.2	0	0	0	0	109.1	C108 L113 C114	C108-T111 PolarHBondContact O-N 3.5Å; C108-T111 PolarHBondContact O-OG1 3.32Å; T111-L113 PolarHBondContact O-N 2.86Å; T111-L113 VanDerWaalsContact OG1-CB 3.32Å; T111-L113 WeakPolarHBondContact OG1-CB 3.46Å; T111-L113 WeakPolarHBondContact OG1-CG 3.48Å; T111-L113 PolarHBondContact OG1-N 3.38Å; T111-C114 PolarHBondContact O-N 2.8Å
112	P	90.3	Very high	93.4	Very high	123 Å²	123	69.7 Å²	69.7	80%	0.799	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	3.5	172.7	-22.2	34.9	0	0	0	115.7	C114	P112-C114 VanDerWaalsContact C-N 3.32Å
113	L	89.4	Confident	93.2	Very high	73 Å²	73	70 Å²	70	38%	0.382	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.4	178	-56	176.1	0	0	0	111.9	C43 C46 T111	C43-L113 WeakPolarHBondContact CA-O 3.33Å; C43-L113 WeakPolarHBondContact CB-O 3.27Å; C43-L113 PolarHBondContact N-O 2.9Å; C46-L113 HydrophobicContact CB-CB 3.97Å; C46-L113 HydrophobicContact CB-CD1 3.78Å; T111-L113 PolarHBondContact O-N 2.86Å; T111-L113 VanDerWaalsContact OG1-CB 3.32Å; T111-L113 WeakPolarHBondContact OG1-CB 3.46Å; T111-L113 WeakPolarHBondContact OG1-CG 3.48Å; T111-L113 PolarHBondContact OG1-N 3.38Å
114	C	88.4	Confident	93.1	Very high	66 Å²	66	67.5 Å²	67.5	45%	0.446	38%	0.381	S	S	.	.			trans	-137.5	0	166.3	-54.1	0	0	0	0	107.7	C43 C108 K109 T111 P112	C43-C114 WeakPolarHBondContact CA-SG 3.23Å; C43-C114 HydrophobicContact CB-CB 4Å; C43-C114 WeakPolarHBondContact CB-SG 3.2Å; C43-C114 WeakPolarHBondContact SG-CB 3.22Å; C43-C114 CovalentContact SG-SG 2.04Å; C43-C114 PolarHBondContact SG-SG 3.24Å; C108-C114 HydrophobicContact CB-CB 4.28Å; C108-C114 WeakPolarHBondContact CB-SG 3.4Å; K109-C114 HydrophobicContact CG-CB 3.97Å; T111-C114 PolarHBondContact O-N 2.8Å; P112-C114 VanDerWaalsContact C-N 3.32Å

Retrieved 114 of 114 residues in 165.9 ms (Link to these results)

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