A0A3Q0KC76_SCHMA Loading...

Charged multivesicular body protein 5

AlphaFold DB , UniProt , Accession A0A3Q0KC76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	59.6	Low	240 Å²	240	166.8 Å²	166.8	100%	1.182	85%	0.853	S	S	*	*				0	100.4	0	-96.5	158.1	168.7	0	0	107.8
2	N	44.9	Very low	60.7	Low	156 Å²	156	166.4 Å²	166.4	83%	0.834	85%	0.845	S	S	*	*			trans	-111.6	117.8	-177.8	-60	13.1	0	0	0	107.3
3	R	55.4	Low	61.8	Low	228 Å²	228	161.5 Å²	161.5	86%	0.86	83%	0.831	S	S	*	*			trans	137.4	86.8	168.7	-78.4	157.4	73.8	164.6	8.8	111.8
4	I	63	Low	63.2	Low	155 Å²	155	157.9 Å²	157.9	80%	0.795	82%	0.823	S	S	*	*	S	Bend	trans	-145.7	-44.4	152.5	-66.4	-62.3	0	0	0	110.8
5	F	70.1	Confident	64.4	Low	200 Å²	200	155.5 Å²	155.5	88%	0.877	82%	0.821	S	S	*	*	S	Bend	trans	-97.2	103.3	-173.2	-67.6	-79	0	0	0	113.7
6	G	59.7	Low	65.7	Low	76 Å²	76	150.1 Å²	150.1	78%	0.784	79%	0.793	S	S	*	*			trans	65.8	48.9	147.9	0	0	0	0	0	117.9	A8	G6-A8 PolarHBondContact O-N 3.43Å
7	Q	57.7	Low	66.9	Low	177 Å²	177	144.1 Å²	144.1	83%	0.827	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-57.5	116.9	156.2	-88.6	-169	-32.3	0	0	108.1	K9	Q7-K9 PolarHBondContact O-N 3.15Å; Q7-K9 VanDerWaalsContact O-N 3.14Å
8	A	62.3	Low	68	Low	95 Å²	95	141.8 Å²	141.8	79%	0.785	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-52.8	123	172	0	0	0	0	0	107.9	G6	G6-A8 PolarHBondContact O-N 3.43Å
9	K	66.6	Low	69.2	Low	191 Å²	191	138.8 Å²	138.8	83%	0.83	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-53.3	136.4	176.2	-69.9	-173.5	179.3	-178.4	0	107.6	Q7 K11	Q7-K9 PolarHBondContact O-N 3.15Å; Q7-K9 VanDerWaalsContact O-N 3.14Å; K9-K11 PolarHBondContact O-N 2.96Å; K9-K11 VanDerWaalsContact O-N 3.17Å
10	P	62.5	Low	70.3	Confident	109 Å²	109	134.6 Å²	134.6	71%	0.708	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-51.4	129.2	178.2	21.6	-32.6	0	0	0	108.3	Q12	P10-Q12 PolarHBondContact O-N 3.35Å
11	K	66	Low	71.2	Confident	208 Å²	208	129.8 Å²	129.8	90%	0.904	69%	0.692	S	S	*	*			trans	-53.5	106.6	-179.7	-104.2	179.6	173	178	0	107.3	K9	K9-K11 PolarHBondContact O-N 2.96Å; K9-K11 VanDerWaalsContact O-N 3.17Å
12	Q	73	Confident	73.3	Confident	162 Å²	162	121.3 Å²	121.3	76%	0.757	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-57	138.8	169.1	-73.6	-69.9	-26.4	0	0	107	P10	P10-Q12 PolarHBondContact O-N 3.35Å
13	P	75.1	Confident	75.7	Confident	102 Å²	102	118.4 Å²	118.4	66%	0.662	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-55.2	144	173.8	24.7	-32.9	0	0	0	109
14	P	80.9	Confident	77.6	Confident	111 Å²	111	107.9 Å²	107.9	72%	0.721	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-57.8	145.3	174	26.9	-34.2	0	0	0	109.1	N16	P14-N16 PolarHBondContact O-N 2.89Å; P14-N16 VanDerWaalsContact O-N 3.16Å
15	P	81.1	Confident	79	Confident	122 Å²	122	103.8 Å²	103.8	79%	0.792	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-52.9	124.4	175	-24.7	33.8	0	0	0	110.1	V20	P15-V20 HydrophobicContact CB-CG2 4.38Å
16	N	86.5	Confident	80.2	Confident	70 Å²	70	97.2 Å²	97.2	37%	0.374	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-90.2	150.2	171.6	86.3	54.8	0	0	0	109.1	P14 T18 D19 V20	P14-N16 PolarHBondContact O-N 2.89Å; P14-N16 VanDerWaalsContact O-N 3.16Å; N16-T18 VanDerWaalsContact C-N 3.34Å; N16-T18 PolarHBondContact O-N 3.46Å; N16-T18 WeakPolarHBondContact OD1-CB 3.44Å; N16-T18 PolarHBondContact OD1-N 3.05Å; N16-T18 VanDerWaalsContact OD1-N 3.07Å; N16-D19 VanDerWaalsContact CG-CG 3.48Å; N16-D19 PolarHBondContact ND2-OD1 3.01Å; N16-D19 PolarHBondContact ND2-OD2 2.86Å; N16-D19 PolarHBondContact OD1-N 2.64Å; N16-D19 PolarHBondContact OD1-OD1 3.1Å; N16-V20 WeakPolarHBondContact O-CG2 3.48Å; N16-V20 PolarHBondContact O-N 3.45Å
17	L	85.5	Confident	82	Confident	48 Å²	48	99.8 Å²	99.8	25%	0.251	55%	0.546	S	S	.	.	H	α-helix	trans	-68.4	-34.5	-171.6	-158.5	62.5	0	0	0	112.4	V20 I21 I89 N93 I96	L17-V20 PolarHBondContact O-N 2.85Å; L17-V20 VanDerWaalsContact O-N 3.16Å; L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.01Å; L17-I89 HydrophobicContact CD1-CG2 3.74Å; L17-I89 HydrophobicContact CG-CG2 3.92Å; L17-N93 HydrophobicContact CD2-CB 3.5Å; L17-N93 VanDerWaalsContact CD2-CB 3.5Å; L17-I96 HydrophobicContact CD2-CD1 4.18Å
18	T	87	Confident	83.8	Confident	102 Å²	102	92.5 Å²	92.5	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-43.4	179.7	-47.8	0	0	0	0	112.3	N16 V20 I21 S22	N16-T18 VanDerWaalsContact C-N 3.34Å; N16-T18 PolarHBondContact O-N 3.46Å; N16-T18 WeakPolarHBondContact OD1-CB 3.44Å; N16-T18 PolarHBondContact OD1-N 3.05Å; N16-T18 VanDerWaalsContact OD1-N 3.07Å; T18-V20 VanDerWaalsContact C-N 3.3Å; T18-V20 PolarHBondContact O-N 2.97Å; T18-I21 PolarHBondContact O-N 3.31Å; T18-S22 PolarHBondContact O-N 3.26Å; T18-S22 PolarHBondContact O-OG 3.39Å
19	D	90	Very high	85.5	Confident	86 Å²	86	93 Å²	93	46%	0.46	50%	0.503	S	S	.	.	H	α-helix	trans	-62.2	-41.2	173.5	-67.7	5	0	0	0	110	N16 S22 N23	N16-D19 VanDerWaalsContact CG-CG 3.48Å; N16-D19 PolarHBondContact ND2-OD1 3.01Å; N16-D19 PolarHBondContact ND2-OD2 2.86Å; N16-D19 PolarHBondContact OD1-N 2.64Å; N16-D19 PolarHBondContact OD1-OD1 3.1Å; D19-S22 PolarHBondContact O-OG 2.91Å; D19-N23 WeakPolarHBondContact O-CB 3.41Å; D19-N23 PolarHBondContact O-N 3.15Å; D19-N23 PolarHBondContact O-ND2 2.89Å
20	V	90.8	Very high	87	Confident	54 Å²	54	86.4 Å²	86.4	33%	0.327	48%	0.48	S	S	.	.	H	α-helix	trans	-65.9	-42.2	179.2	-178.7	0	0	0	0	111.3	P15 N16 L17 T18 N23 V24 I89	P15-V20 HydrophobicContact CB-CG2 4.38Å; N16-V20 WeakPolarHBondContact O-CG2 3.48Å; N16-V20 PolarHBondContact O-N 3.45Å; L17-V20 PolarHBondContact O-N 2.85Å; L17-V20 VanDerWaalsContact O-N 3.16Å; T18-V20 VanDerWaalsContact C-N 3.3Å; T18-V20 PolarHBondContact O-N 2.97Å; V20-N23 PolarHBondContact O-N 3.42Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.28Å; V20-V24 PolarHBondContact O-N 3.34Å; V20-I89 HydrophobicContact CG1-CD1 3.65Å; V20-I89 HydrophobicContact CG1-CG1 4.4Å
21	I	90.4	Very high	88.7	Confident	34 Å²	34	81.6 Å²	81.6	17%	0.174	45%	0.449	C	S	.	.	H	α-helix	trans	-56.4	-57.9	173.8	-67.2	165.8	0	0	0	110.1	L17 T18 N23 V24 D25 I89	L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.01Å; T18-I21 PolarHBondContact O-N 3.31Å; I21-N23 PolarHBondContact O-N 2.9Å; I21-N23 VanDerWaalsContact O-N 3.14Å; I21-V24 WeakPolarHBondContact O-CA 3.44Å; I21-V24 WeakPolarHBondContact O-CB 3.38Å; I21-V24 PolarHBondContact O-N 3.44Å; I21-D25 WeakPolarHBondContact CG2-OD2 3.43Å; I21-D25 PolarHBondContact O-N 3.13Å; I21-I89 HydrophobicContact CD1-CG2 3.95Å; I21-I89 HydrophobicContact CG1-CG2 3.33Å
22	S	92	Very high	90.2	Very high	62 Å²	62	73.9 Å²	73.9	43%	0.434	42%	0.417	S	S	.	.	H	α-helix	trans	-60.2	-30.1	-178.9	61.3	0	0	0	0	114	T18 D19 S26	T18-S22 PolarHBondContact O-N 3.26Å; T18-S22 PolarHBondContact O-OG 3.39Å; D19-S22 PolarHBondContact O-OG 2.91Å; S22-S26 WeakPolarHBondContact O-CB 3.42Å; S22-S26 PolarHBondContact O-N 3.26Å; S22-S26 VanDerWaalsContact O-N 3.08Å; S22-S26 PolarHBondContact O-OG 2.96Å
23	N	93.9	Very high	91.5	Very high	95 Å²	95	71.4 Å²	71.4	51%	0.508	40%	0.404	S	S	.	.	H	α-helix	trans	-73	-29.9	172.2	-80.4	-63.4	0	0	0	113.2	D19 V20 I21 S26 R27	D19-N23 WeakPolarHBondContact O-CB 3.41Å; D19-N23 PolarHBondContact O-N 3.15Å; D19-N23 PolarHBondContact O-ND2 2.89Å; V20-N23 PolarHBondContact O-N 3.42Å; I21-N23 PolarHBondContact O-N 2.9Å; I21-N23 VanDerWaalsContact O-N 3.14Å; N23-S26 PolarHBondContact O-OG 3.19Å; N23-R27 WeakPolarHBondContact O-CB 3.46Å; N23-R27 WeakPolarHBondContact O-CD 3.28Å; N23-R27 WeakPolarHBondContact O-CG 3.49Å; N23-R27 PolarHBondContact O-N 2.91Å
24	V	95.1	Very high	92.6	Very high	6 Å²	6	70.1 Å²	70.1	4%	0.036	39%	0.388	C	S	.	.	H	α-helix	trans	-74.1	-46.4	173.1	171.7	0	0	0	0	109.8	V20 I21 R27 A28 L82 Q85 I89	V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.28Å; V20-V24 PolarHBondContact O-N 3.34Å; I21-V24 WeakPolarHBondContact O-CA 3.44Å; I21-V24 WeakPolarHBondContact O-CB 3.38Å; I21-V24 PolarHBondContact O-N 3.44Å; V24-R27 WeakPolarHBondContact O-CB 3.39Å; V24-R27 PolarHBondContact O-N 2.86Å; V24-A28 PolarHBondContact O-N 3.04Å; V24-L82 HydrophobicContact CG1-CB 4.47Å; V24-L82 HydrophobicContact CG1-CD2 4.29Å; V24-L82 WeakPolarHBondContact CG1-O 3.44Å; V24-Q85 HydrophobicContact CG1-CB 4.46Å; V24-Q85 HydrophobicContact CG2-CB 4.5Å; V24-I89 HydrophobicContact CG2-CD1 3.8Å
25	D	92.6	Very high	93.4	Very high	70 Å²	70	65.5 Å²	65.5	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-51.3	179.6	-62	-26.8	0	0	0	112.1	I21 R27 A28 E29	I21-D25 WeakPolarHBondContact CG2-OD2 3.43Å; I21-D25 PolarHBondContact O-N 3.13Å; D25-R27 PolarHBondContact O-N 3.25Å; D25-A28 WeakPolarHBondContact O-CA 2.97Å; D25-A28 WeakPolarHBondContact O-CB 3.46Å; D25-A28 PolarHBondContact O-N 3.38Å; D25-E29 PolarHBondContact O-N 3.32Å
26	S	96.2	Very high	94.2	Very high	61 Å²	61	64.2 Å²	64.2	43%	0.427	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-29.3	178.3	56.8	0	0	0	0	113	S22 N23 S30	S22-S26 WeakPolarHBondContact O-CB 3.42Å; S22-S26 PolarHBondContact O-N 3.26Å; S22-S26 VanDerWaalsContact O-N 3.08Å; S22-S26 PolarHBondContact O-OG 2.96Å; N23-S26 PolarHBondContact O-OG 3.19Å; S26-S30 VanDerWaalsContact O-CB 3.31Å; S26-S30 WeakPolarHBondContact O-CB 3.16Å; S26-S30 PolarHBondContact O-N 2.92Å
27	R	96.8	Very high	94.8	Very high	130 Å²	130	67.4 Å²	67.4	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-72.2	-40.6	170.3	-74.2	169.5	68.5	-149.7	-0.7	111.4	N23 V24 D25 S30 V31 L82	N23-R27 WeakPolarHBondContact O-CB 3.46Å; N23-R27 WeakPolarHBondContact O-CD 3.28Å; N23-R27 WeakPolarHBondContact O-CG 3.49Å; N23-R27 PolarHBondContact O-N 2.91Å; V24-R27 WeakPolarHBondContact O-CB 3.39Å; V24-R27 PolarHBondContact O-N 2.86Å; D25-R27 PolarHBondContact O-N 3.25Å; R27-S30 WeakPolarHBondContact O-CB 3.27Å; R27-S30 PolarHBondContact O-N 3.29Å; R27-V31 WeakPolarHBondContact O-CG2 3.42Å; R27-V31 PolarHBondContact O-N 2.91Å; R27-L82 HydrophobicContact CB-CD1 4Å; R27-L82 HydrophobicContact CB-CD2 3.97Å
28	A	96.7	Very high	95.4	Very high	24 Å²	24	65.6 Å²	65.6	20%	0.198	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-48.9	177.1	0	0	0	0	0	110.9	V24 D25 S30 V31 D32 L82	V24-A28 PolarHBondContact O-N 3.04Å; D25-A28 WeakPolarHBondContact O-CA 2.97Å; D25-A28 WeakPolarHBondContact O-CB 3.46Å; D25-A28 PolarHBondContact O-N 3.38Å; A28-S30 VanDerWaalsContact C-N 3.28Å; A28-S30 PolarHBondContact O-N 3.1Å; A28-V31 WeakPolarHBondContact O-CA 3.23Å; A28-V31 WeakPolarHBondContact O-CB 3.39Å; A28-V31 PolarHBondContact O-N 2.81Å; A28-D32 PolarHBondContact O-N 2.81Å; A28-L82 HydrophobicContact CB-CB 4.49Å; A28-L82 HydrophobicContact CB-CD1 4.4Å
29	E	97.2	Very high	96	Very high	107 Å²	107	62.8 Å²	62.8	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-55.2	-42.1	172.5	-74.9	-169.7	-153.6	0	0	112.8	D25 V31 D32 K33	D25-E29 PolarHBondContact O-N 3.32Å; E29-V31 VanDerWaalsContact C-N 3.27Å; E29-V31 PolarHBondContact O-N 3.15Å; E29-D32 PolarHBondContact O-N 3.47Å; E29-K33 WeakPolarHBondContact O-CB 3.37Å; E29-K33 WeakPolarHBondContact O-CD 3.26Å; E29-K33 VanDerWaalsContact O-CG 3.23Å; E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 2.88Å; E29-K33 IonicContact OE2-NZ 2.72Å; E29-K33 PolarHBondContact OE2-NZ 3.25Å
30	S	98.1	Very high	96.4	Very high	52 Å²	52	63.6 Å²	63.6	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-29.3	178.6	178.3	0	0	0	0	112.6	S26 R27 A28 K34	S26-S30 VanDerWaalsContact O-CB 3.31Å; S26-S30 WeakPolarHBondContact O-CB 3.16Å; S26-S30 PolarHBondContact O-N 2.92Å; R27-S30 WeakPolarHBondContact O-CB 3.27Å; R27-S30 PolarHBondContact O-N 3.29Å; A28-S30 VanDerWaalsContact C-N 3.28Å; A28-S30 PolarHBondContact O-N 3.1Å; S30-K34 VanDerWaalsContact O-CD 3.27Å; S30-K34 WeakPolarHBondContact O-CD 3.46Å; S30-K34 WeakPolarHBondContact O-CE 3.28Å; S30-K34 VanDerWaalsContact O-CG 3.29Å; S30-K34 WeakPolarHBondContact O-CG 3.41Å; S30-K34 PolarHBondContact OG-NZ 2.85Å
31	V	98.3	Very high	96.7	Very high	8 Å²	8	64.4 Å²	64.4	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-76.2	-45.7	173	170.4	0	0	0	0	110.2	R27 A28 E29 K33 K34 I35 Y75 Q78 K79 L82	R27-V31 WeakPolarHBondContact O-CG2 3.42Å; R27-V31 PolarHBondContact O-N 2.91Å; A28-V31 WeakPolarHBondContact O-CA 3.23Å; A28-V31 WeakPolarHBondContact O-CB 3.39Å; A28-V31 PolarHBondContact O-N 2.81Å; E29-V31 VanDerWaalsContact C-N 3.27Å; E29-V31 PolarHBondContact O-N 3.15Å; V31-K33 PolarHBondContact O-N 2.95Å; V31-K34 WeakPolarHBondContact O-CA 3.31Å; V31-K34 WeakPolarHBondContact O-CB 3.24Å; V31-K34 PolarHBondContact O-N 2.87Å; V31-I35 HydrophobicContact CG1-CD1 3.88Å; V31-I35 HydrophobicContact CG1-CG1 4.37Å; V31-I35 WeakPolarHBondContact O-CG1 3.3Å; V31-I35 PolarHBondContact O-N 3.48Å; V31-Y75 WeakPolarHBondContact CG1-O 3.46Å; V31-Q78 HydrophobicContact CG1-CB 4.45Å; V31-Q78 HydrophobicContact CG2-CB 4.4Å; V31-K79 HydrophobicContact CG1-CB 3.9Å; V31-L82 HydrophobicContact CG2-CD1 3.94Å
32	D	98.1	Very high	97.1	Very high	45 Å²	45	64.3 Å²	64.3	24%	0.241	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-48.9	176.5	-82.9	-30.7	0	0	0	112.5	A28 E29 K34 I35 D36 K79	A28-D32 PolarHBondContact O-N 2.81Å; E29-D32 PolarHBondContact O-N 3.47Å; D32-K34 PolarHBondContact O-N 3.1Å; D32-I35 WeakPolarHBondContact O-CA 3.49Å; D32-I35 WeakPolarHBondContact O-CB 3.22Å; D32-I35 PolarHBondContact O-N 2.89Å; D32-D36 PolarHBondContact O-N 3.38Å; D32-K79 VanDerWaalsContact OD1-CD 3.26Å; D32-K79 WeakPolarHBondContact OD1-CD 3.5Å; D32-K79 WeakPolarHBondContact OD1-CE 3.39Å; D32-K79 IonicContact OD1-NZ 2.63Å; D32-K79 PolarHBondContact OD1-NZ 2.97Å; D32-K79 WeakPolarHBondContact OD2-CE 3.29Å; D32-K79 IonicContact OD2-NZ 4Å; D32-K79 PolarHBondContact OD2-NZ 2.72Å
33	K	98.5	Very high	97.4	Very high	111 Å²	111	67.7 Å²	67.7	48%	0.483	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-14.7	174.8	-70.5	161.2	-176.1	162.1	0	114	E29 V31 K37	E29-K33 WeakPolarHBondContact O-CB 3.37Å; E29-K33 WeakPolarHBondContact O-CD 3.26Å; E29-K33 VanDerWaalsContact O-CG 3.23Å; E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 2.88Å; E29-K33 IonicContact OE2-NZ 2.72Å; E29-K33 PolarHBondContact OE2-NZ 3.25Å; V31-K33 PolarHBondContact O-N 2.95Å; K33-K37 VanDerWaalsContact O-CD 3.32Å; K33-K37 WeakPolarHBondContact O-CD 3.45Å; K33-K37 WeakPolarHBondContact O-CE 3.48Å; K33-K37 WeakPolarHBondContact O-CG 3.41Å
34	K	98.4	Very high	97.6	Very high	75 Å²	75	69 Å²	69	33%	0.326	34%	0.335	S	S	.	.	H	α-helix	trans	-93.7	-39.9	171.2	-66.6	164.3	-165.7	156.6	0	111.6	S30 V31 D32 D36 K37 L38 Y75	S30-K34 VanDerWaalsContact O-CD 3.27Å; S30-K34 WeakPolarHBondContact O-CD 3.46Å; S30-K34 WeakPolarHBondContact O-CE 3.28Å; S30-K34 VanDerWaalsContact O-CG 3.29Å; S30-K34 WeakPolarHBondContact O-CG 3.41Å; S30-K34 PolarHBondContact OG-NZ 2.85Å; V31-K34 WeakPolarHBondContact O-CA 3.31Å; V31-K34 WeakPolarHBondContact O-CB 3.24Å; V31-K34 PolarHBondContact O-N 2.87Å; D32-K34 PolarHBondContact O-N 3.1Å; K34-D36 VanDerWaalsContact C-N 3.33Å; K34-K37 PolarHBondContact O-N 3.47Å; K34-L38 WeakPolarHBondContact O-CD1 3.27Å; K34-L38 VanDerWaalsContact O-CG 3.25Å; K34-L38 WeakPolarHBondContact O-CG 3.29Å; K34-L38 PolarHBondContact O-N 3.37Å; K34-L38 VanDerWaalsContact O-N 3.11Å; K34-Y75 HydrophobicContact CB-CD2 4.13Å; K34-Y75 HydrophobicContact CB-CE2 4.12Å; K34-Y75 HydrophobicContact CB-CG 4.39Å; K34-Y75 HydrophobicContact CD-CD1 4.23Å; K34-Y75 HydrophobicContact CD-CE1 3.75Å; K34-Y75 HydrophobicContact CD-CE2 4.31Å
35	I	98.5	Very high	97.8	Very high	13 Å²	13	71.1 Å²	71.1	7%	0.067	34%	0.343	C	S	.	.	H	α-helix	trans	-57	-48.4	173.9	-67.2	172.6	0	0	0	109.8	V31 D32 K37 L38 D39 K72 E76 K79	V31-I35 HydrophobicContact CG1-CD1 3.88Å; V31-I35 HydrophobicContact CG1-CG1 4.37Å; V31-I35 WeakPolarHBondContact O-CG1 3.3Å; V31-I35 PolarHBondContact O-N 3.48Å; D32-I35 WeakPolarHBondContact O-CA 3.49Å; D32-I35 WeakPolarHBondContact O-CB 3.22Å; D32-I35 PolarHBondContact O-N 2.89Å; I35-K37 PolarHBondContact O-N 3.35Å; I35-L38 PolarHBondContact O-N 3Å; I35-L38 VanDerWaalsContact O-N 3.14Å; I35-D39 PolarHBondContact O-N 2.85Å; I35-K72 VanDerWaalsContact CG2-CE 3.43Å; I35-K72 HydrophobicContact CG2-CG 4.29Å; I35-E76 HydrophobicContact CD1-CG 4.13Å; I35-K79 HydrophobicContact CD1-CB 4.33Å; I35-K79 HydrophobicContact CD1-CD 4.35Å
36	D	98.6	Very high	98	Very high	95 Å²	95	74 Å²	74	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-56.6	-46.4	179.2	-68.6	-31.9	0	0	0	112.7	D32 K34 L38 D39 E40	D32-D36 PolarHBondContact O-N 3.38Å; K34-D36 VanDerWaalsContact C-N 3.33Å; D36-L38 VanDerWaalsContact C-N 3.33Å; D36-L38 PolarHBondContact O-N 3.17Å; D36-D39 PolarHBondContact O-N 3.11Å; D36-E40 PolarHBondContact O-N 2.72Å
37	K	98.6	Very high	98.1	Very high	137 Å²	137	75.8 Å²	75.8	60%	0.596	36%	0.356	S	S	*	.	H	α-helix	trans	-63.1	-39.9	178.4	-70.2	175.5	-175	178.6	0	111.9	K33 K34 I35 E40 E41	K33-K37 VanDerWaalsContact O-CD 3.32Å; K33-K37 WeakPolarHBondContact O-CD 3.45Å; K33-K37 WeakPolarHBondContact O-CE 3.48Å; K33-K37 WeakPolarHBondContact O-CG 3.41Å; K34-K37 PolarHBondContact O-N 3.47Å; I35-K37 PolarHBondContact O-N 3.35Å; K37-E40 WeakPolarHBondContact O-CB 3.42Å; K37-E40 PolarHBondContact O-N 3.17Å; K37-E41 PolarHBondContact O-N 3.14Å
38	L	98.5	Very high	98.1	Very high	10 Å²	10	73.9 Å²	73.9	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-70.4	-35.1	177	-64.5	165.4	0	0	0	111.2	K34 I35 D36 E41 L42 I68 Q71 K72 Y75	K34-L38 WeakPolarHBondContact O-CD1 3.27Å; K34-L38 VanDerWaalsContact O-CG 3.25Å; K34-L38 WeakPolarHBondContact O-CG 3.29Å; K34-L38 PolarHBondContact O-N 3.37Å; K34-L38 VanDerWaalsContact O-N 3.11Å; I35-L38 PolarHBondContact O-N 3Å; I35-L38 VanDerWaalsContact O-N 3.14Å; D36-L38 VanDerWaalsContact C-N 3.33Å; D36-L38 PolarHBondContact O-N 3.17Å; L38-E41 PolarHBondContact O-N 3.05Å; L38-L42 WeakPolarHBondContact O-CB 3.35Å; L38-L42 VanDerWaalsContact O-CG 3.24Å; L38-L42 WeakPolarHBondContact O-CG 3.29Å; L38-L42 PolarHBondContact O-N 3.3Å; L38-I68 HydrophobicContact CB-CG2 4.02Å; L38-I68 HydrophobicContact CD2-CD1 4.48Å; L38-I68 HydrophobicContact CD2-CG2 3.69Å; L38-I68 HydrophobicContact CG-CG2 4.46Å; L38-Q71 HydrophobicContact CD1-CB 4.35Å; L38-Q71 HydrophobicContact CD1-CG 3.93Å; L38-Q71 HydrophobicContact CD2-CB 4.43Å; L38-Q71 HydrophobicContact CD2-CG 4.23Å; L38-K72 HydrophobicContact CB-CB 4.19Å; L38-K72 HydrophobicContact CB-CG 4.27Å; L38-K72 HydrophobicContact CD1-CB 4.26Å; L38-Y75 HydrophobicContact CD1-CD2 3.47Å; L38-Y75 VanDerWaalsContact CD1-CD2 3.47Å; L38-Y75 HydrophobicContact CD1-CE2 3.81Å
39	D	98.4	Very high	98.1	Very high	44 Å²	44	74.6 Å²	74.6	24%	0.235	35%	0.352	C	S	.	.	H	α-helix	trans	-66.9	-36.8	171.8	-89.6	-28.8	0	0	0	112.5	I35 D36 L42 K43 K72	I35-D39 PolarHBondContact O-N 2.85Å; D36-D39 PolarHBondContact O-N 3.11Å; D39-L42 PolarHBondContact O-N 3.12Å; D39-K43 WeakPolarHBondContact O-CB 3.22Å; D39-K43 WeakPolarHBondContact O-CD 3.09Å; D39-K43 WeakPolarHBondContact O-CG 3.31Å; D39-K43 PolarHBondContact O-N 3.37Å; D39-K72 WeakPolarHBondContact OD1-CD 3.38Å; D39-K72 WeakPolarHBondContact OD1-CE 3.38Å; D39-K72 IonicContact OD1-NZ 2.77Å; D39-K72 PolarHBondContact OD1-NZ 2.84Å; D39-K72 WeakPolarHBondContact OD2-CE 3.46Å; D39-K72 IonicContact OD2-NZ 2.62Å; D39-K72 PolarHBondContact OD2-NZ 3.33Å
40	E	98.6	Very high	98.1	Very high	102 Å²	102	75.7 Å²	75.7	48%	0.477	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-44.6	169.2	-75.5	-168	-168	0	0	112.8	D36 K37 K43 K44	D36-E40 PolarHBondContact O-N 2.72Å; K37-E40 WeakPolarHBondContact O-CB 3.42Å; K37-E40 PolarHBondContact O-N 3.17Å; E40-K43 PolarHBondContact O-N 3.34Å; E40-K44 WeakPolarHBondContact O-CD 3.48Å; E40-K44 VanDerWaalsContact O-CG 3.29Å; E40-K44 WeakPolarHBondContact O-CG 3.45Å; E40-K44 PolarHBondContact O-N 2.98Å; E40-K44 IonicContact OE2-NZ 2.7Å; E40-K44 PolarHBondContact OE2-NZ 2.92Å; E40-K44 VanDerWaalsContact OE2-NZ 3.09Å
41	E	97.9	Very high	98	Very high	72 Å²	72	82 Å²	82	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-43.1	175.5	-76.3	-172.6	-143.5	0	0	111.6	K37 L38 K43 K44 Y45 I68	K37-E41 PolarHBondContact O-N 3.14Å; L38-E41 PolarHBondContact O-N 3.05Å; E41-K43 PolarHBondContact O-N 2.67Å; E41-K44 WeakPolarHBondContact O-CB 3.47Å; E41-K44 PolarHBondContact O-N 3.04Å; E41-Y45 HydrophobicContact CB-CE2 4.46Å; E41-Y45 WeakPolarHBondContact O-CD2 3.35Å; E41-Y45 PolarHBondContact O-N 2.71Å; E41-I68 HydrophobicContact CB-CG2 3.96Å; E41-I68 WeakPolarHBondContact OE2-CD1 3.49Å
42	L	98.5	Very high	97.9	Very high	31 Å²	31	84 Å²	84	16%	0.162	39%	0.388	C	S	.	.	H	α-helix	trans	-62.1	-40.7	175	-72.6	168.4	0	0	0	112.1	L38 D39 Y45 K46 A65 I68 L69 K72	L38-L42 WeakPolarHBondContact O-CB 3.35Å; L38-L42 VanDerWaalsContact O-CG 3.24Å; L38-L42 WeakPolarHBondContact O-CG 3.29Å; L38-L42 PolarHBondContact O-N 3.3Å; D39-L42 PolarHBondContact O-N 3.12Å; L42-Y45 PolarHBondContact O-N 2.84Å; L42-K46 VanDerWaalsContact O-CB 3.3Å; L42-K46 WeakPolarHBondContact O-CB 3.4Å; L42-K46 PolarHBondContact O-N 2.87Å; L42-A65 WeakPolarHBondContact CD2-O 3.45Å; L42-I68 HydrophobicContact CD1-CG2 4.42Å; L42-I68 HydrophobicContact CD2-CB 4.13Å; L42-I68 HydrophobicContact CD2-CG2 4.05Å; L42-I68 HydrophobicContact CG-CB 4.42Å; L42-I68 HydrophobicContact CG-CG2 3.77Å; L42-L69 HydrophobicContact CD1-CB 4.48Å; L42-L69 HydrophobicContact CD1-CD1 4.05Å; L42-L69 HydrophobicContact CD2-CB 4Å; L42-K72 HydrophobicContact CD1-CD 4.09Å
43	K	98.4	Very high	97.8	Very high	134 Å²	134	92.8 Å²	92.8	58%	0.583	42%	0.418	S	S	*	.	H	α-helix	trans	-59.9	-45.7	172.4	-71.9	163.4	-167.6	170.4	0	111	D39 E40 E41 K46 L47	D39-K43 WeakPolarHBondContact O-CB 3.22Å; D39-K43 WeakPolarHBondContact O-CD 3.09Å; D39-K43 WeakPolarHBondContact O-CG 3.31Å; D39-K43 PolarHBondContact O-N 3.37Å; E40-K43 PolarHBondContact O-N 3.34Å; E41-K43 PolarHBondContact O-N 2.67Å; K43-K46 PolarHBondContact O-N 3.4Å; K43-L47 WeakPolarHBondContact O-CG 3.28Å; K43-L47 PolarHBondContact O-N 2.89Å
44	K	98.2	Very high	97.6	Very high	121 Å²	121	93.4 Å²	93.4	53%	0.526	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-47.9	176.6	-69	160.6	-167.1	158.8	0	111.4	E40 E41 L47 Q48	E40-K44 WeakPolarHBondContact O-CD 3.48Å; E40-K44 VanDerWaalsContact O-CG 3.29Å; E40-K44 WeakPolarHBondContact O-CG 3.45Å; E40-K44 PolarHBondContact O-N 2.98Å; E40-K44 IonicContact OE2-NZ 2.7Å; E40-K44 PolarHBondContact OE2-NZ 2.92Å; E40-K44 VanDerWaalsContact OE2-NZ 3.09Å; E41-K44 WeakPolarHBondContact O-CB 3.47Å; E41-K44 PolarHBondContact O-N 3.04Å; K44-L47 PolarHBondContact O-N 3.41Å; K44-Q48 WeakPolarHBondContact O-CB 3.33Å; K44-Q48 PolarHBondContact O-N 3.49Å
45	Y	97.9	Very high	97.5	Very high	52 Å²	52	91.6 Å²	91.6	20%	0.204	43%	0.429	C	S	.	.	H	α-helix	trans	-64.9	-39.2	177.1	-75.4	-58.6	0	0	0	113.3	E41 L42 Q48 M49 V61 K64 A65 I68	E41-Y45 HydrophobicContact CB-CE2 4.46Å; E41-Y45 WeakPolarHBondContact O-CD2 3.35Å; E41-Y45 PolarHBondContact O-N 2.71Å; L42-Y45 PolarHBondContact O-N 2.84Å; Y45-Q48 PolarHBondContact O-N 2.91Å; Y45-M49 WeakPolarHBondContact O-CE 3.37Å; Y45-M49 WeakPolarHBondContact O-CG 3.37Å; Y45-M49 PolarHBondContact O-N 3.23Å; Y45-V61 HydrophobicContact CD1-CG1 3.71Å; Y45-V61 HydrophobicContact CE1-CG1 4.38Å; Y45-K64 HydrophobicContact CE1-CB 3.89Å; Y45-K64 HydrophobicContact CE1-CD 4.25Å; Y45-A65 HydrophobicContact CD2-CB 4.32Å; Y45-A65 HydrophobicContact CG-CB 4.07Å; Y45-I68 HydrophobicContact CD2-CG1 4.33Å; Y45-I68 HydrophobicContact CE2-CG1 3.79Å
46	K	97.6	Very high	97.4	Very high	130 Å²	130	96.9 Å²	96.9	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-59.6	-49.5	175	-177.1	177.6	179.1	179.5	0	111.2	L42 K43 Q48 M49 Q50	L42-K46 VanDerWaalsContact O-CB 3.3Å; L42-K46 WeakPolarHBondContact O-CB 3.4Å; L42-K46 PolarHBondContact O-N 2.87Å; K43-K46 PolarHBondContact O-N 3.4Å; K46-Q48 VanDerWaalsContact C-N 3.34Å; K46-Q48 PolarHBondContact O-N 3.34Å; K46-M49 PolarHBondContact O-N 3.25Å; K46-Q50 WeakPolarHBondContact O-CG 3.27Å; K46-Q50 PolarHBondContact O-N 3.03Å
47	L	97.8	Very high	97.2	Very high	98 Å²	98	95.2 Å²	95.2	51%	0.513	46%	0.464	S	S	.	.	H	α-helix	trans	-63.2	-37.9	176.9	-70.1	170.1	0	0	0	112.4	K43 K44 K51	K43-L47 WeakPolarHBondContact O-CG 3.28Å; K43-L47 PolarHBondContact O-N 2.89Å; K44-L47 PolarHBondContact O-N 3.41Å; L47-K51 WeakPolarHBondContact O-CG 3.39Å; L47-K51 PolarHBondContact O-N 3.49Å
48	Q	97	Very high	97.2	Very high	90 Å²	90	90.9 Å²	90.9	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-51.2	174.7	-174.4	-179.5	8.7	0	0	111	K44 Y45 K46 Q50 K51 M52 V61	K44-Q48 WeakPolarHBondContact O-CB 3.33Å; K44-Q48 PolarHBondContact O-N 3.49Å; Y45-Q48 PolarHBondContact O-N 2.91Å; K46-Q48 VanDerWaalsContact C-N 3.34Å; K46-Q48 PolarHBondContact O-N 3.34Å; Q48-Q50 VanDerWaalsContact C-N 3.32Å; Q48-Q50 PolarHBondContact O-N 2.85Å; Q48-K51 PolarHBondContact O-N 2.84Å; Q48-K51 VanDerWaalsContact O-N 3.13Å; Q48-M52 HydrophobicContact CG-SD 3.9Å; Q48-M52 WeakPolarHBondContact O-CG 2.94Å; Q48-M52 PolarHBondContact O-N 2.63Å; Q48-V61 HydrophobicContact CB-CG1 4.46Å; Q48-V61 HydrophobicContact CG-CG1 4.22Å
49	M	97.2	Very high	97.1	Very high	39 Å²	39	94.4 Å²	94.4	19%	0.192	46%	0.461	C	S	.	.	H	α-helix	trans	-63.3	-34.6	-179.9	-70.8	-175.6	-69.8	0	0	113.1	Y45 K46 K51 M52 K58 V61 K62 A65	Y45-M49 WeakPolarHBondContact O-CE 3.37Å; Y45-M49 WeakPolarHBondContact O-CG 3.37Å; Y45-M49 PolarHBondContact O-N 3.23Å; K46-M49 PolarHBondContact O-N 3.25Å; M49-K51 PolarHBondContact O-N 3.4Å; M49-M52 PolarHBondContact O-N 2.91Å; M49-M52 VanDerWaalsContact O-N 3.15Å; M49-K58 HydrophobicContact CB-CG 4.45Å; M49-K58 HydrophobicContact CG-CG 4.38Å; M49-K58 WeakPolarHBondContact O-CE 3.46Å; M49-K58 PolarHBondContact O-NZ 3.14Å; M49-V61 HydrophobicContact CG-CB 4.13Å; M49-V61 HydrophobicContact CG-CG1 3.61Å; M49-V61 HydrophobicContact SD-CG1 4.37Å; M49-K62 VanDerWaalsContact SD-CA 3.56Å; M49-K62 HydrophobicContact SD-CB 3.69Å; M49-K62 HydrophobicContact SD-CG 4.4Å; M49-A65 HydrophobicContact CE-CB 4.08Å
50	Q	96.9	Very high	97	Very high	131 Å²	131	95.3 Å²	95.3	61%	0.612	47%	0.47	S	S	*	.	H	α-helix	trans	-62.1	-30.7	175.2	-78.4	175.5	-38.3	0	0	113	K46 Q48 M52	K46-Q50 WeakPolarHBondContact O-CG 3.27Å; K46-Q50 PolarHBondContact O-N 3.03Å; Q48-Q50 VanDerWaalsContact C-N 3.32Å; Q48-Q50 PolarHBondContact O-N 2.85Å; Q50-M52 VanDerWaalsContact C-N 3.35Å
51	K	96.5	Very high	96.9	Very high	185 Å²	185	90.7 Å²	90.7	80%	0.804	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.6	177.4	-64.1	177.7	-177.3	-175.4	0	113.5	L47 Q48 M49	L47-K51 WeakPolarHBondContact O-CG 3.39Å; L47-K51 PolarHBondContact O-N 3.49Å; Q48-K51 PolarHBondContact O-N 2.84Å; Q48-K51 VanDerWaalsContact O-N 3.13Å; M49-K51 PolarHBondContact O-N 3.4Å
52	M	96.1	Very high	96.9	Very high	48 Å²	48	91.5 Å²	91.5	24%	0.236	45%	0.452	C	S	.	.	S	Bend	trans	-104.5	132.6	-177.8	-68.5	174.6	82.3	0	0	111.5	Q48 M49 Q50 A57 K58 V61	Q48-M52 HydrophobicContact CG-SD 3.9Å; Q48-M52 WeakPolarHBondContact O-CG 2.94Å; Q48-M52 PolarHBondContact O-N 2.63Å; M49-M52 PolarHBondContact O-N 2.91Å; M49-M52 VanDerWaalsContact O-N 3.15Å; Q50-M52 VanDerWaalsContact C-N 3.35Å; M52-A57 HydrophobicContact CE-CB 3.68Å; M52-K58 HydrophobicContact CB-CB 4.16Å; M52-K58 HydrophobicContact CB-CD 4.24Å; M52-K58 HydrophobicContact CB-CG 4.08Å; M52-K58 HydrophobicContact CE-CB 4.39Å; M52-K58 WeakPolarHBondContact O-CD 3.31Å; M52-K58 WeakPolarHBondContact O-CE 3.23Å; M52-K58 PolarHBondContact O-NZ 2.96Å; M52-V61 HydrophobicContact CE-CG2 4.06Å; M52-V61 HydrophobicContact SD-CB 4.45Å; M52-V61 HydrophobicContact SD-CG2 3.88Å
53	R	95.8	Very high	96.8	Very high	231 Å²	231	95.5 Å²	95.5	87%	0.872	47%	0.471	S	S	*	.			trans	-61.6	147	164.2	179.7	174.8	171.6	164	-0.2	110
54	D	94.8	Very high	96.7	Very high	124 Å²	124	94.6 Å²	94.6	66%	0.663	47%	0.467	S	S	*	.	S	Bend	trans	-62.6	136.5	176.5	-55.2	-58	0	0	0	112	K58	D54-K58 VanDerWaalsContact OD1-CD 3.24Å; D54-K58 WeakPolarHBondContact OD1-CD 3.49Å; D54-K58 VanDerWaalsContact OD1-CE 3.27Å; D54-K58 WeakPolarHBondContact OD1-CE 3.38Å; D54-K58 IonicContact OD1-NZ 2.88Å; D54-K58 PolarHBondContact OD1-NZ 3.33Å; D54-K58 IonicContact OD2-NZ 2.84Å
55	G	95.1	Very high	96.7	Very high	37 Å²	37	89.3 Å²	89.3	38%	0.381	45%	0.446	S	S	.	.	S	Bend	trans	155.1	-179.9	-175.1	0	0	0	0	0	112.7	A57 K58 E59	G55-A57 VanDerWaalsContact C-N 3.26Å; G55-A57 PolarHBondContact O-N 3.26Å; G55-A57 VanDerWaalsContact O-N 3.15Å; G55-K58 PolarHBondContact O-N 2.89Å; G55-E59 PolarHBondContact O-N 2.81Å; G55-E59 VanDerWaalsContact O-N 3.13Å
56	P	96.1	Very high	96.7	Very high	123 Å²	123	91 Å²	91	80%	0.799	46%	0.458	S	S	*	.	H	α-helix	trans	-56	-35.8	-172.3	-27.6	35.4	0	0	0	114.4	E59 S60	P56-E59 PolarHBondContact O-N 2.85Å; P56-S60 PolarHBondContact O-N 2.69Å
57	A	95.8	Very high	96.6	Very high	61 Å²	61	94 Å²	94	50%	0.504	47%	0.466	S	S	.	.	H	α-helix	trans	-62	-45.5	176.6	0	0	0	0	0	112	M52 G55 S60 V61	M52-A57 HydrophobicContact CE-CB 3.68Å; G55-A57 VanDerWaalsContact C-N 3.26Å; G55-A57 PolarHBondContact O-N 3.26Å; G55-A57 VanDerWaalsContact O-N 3.15Å; A57-S60 PolarHBondContact O-N 3.13Å; A57-S60 PolarHBondContact O-OG 2.75Å; A57-V61 WeakPolarHBondContact O-CG2 3.49Å; A57-V61 PolarHBondContact O-N 2.96Å
58	K	97.6	Very high	96.6	Very high	46 Å²	46	90.1 Å²	90.1	20%	0.2	45%	0.446	C	S	.	.	H	α-helix	trans	-67.6	-39.4	179	-170.7	-179.9	-173.9	165	0	111.6	M49 M52 D54 G55 S60 V61 K62	M49-K58 HydrophobicContact CB-CG 4.45Å; M49-K58 HydrophobicContact CG-CG 4.38Å; M49-K58 WeakPolarHBondContact O-CE 3.46Å; M49-K58 PolarHBondContact O-NZ 3.14Å; M52-K58 HydrophobicContact CB-CB 4.16Å; M52-K58 HydrophobicContact CB-CD 4.24Å; M52-K58 HydrophobicContact CB-CG 4.08Å; M52-K58 HydrophobicContact CE-CB 4.39Å; M52-K58 WeakPolarHBondContact O-CD 3.31Å; M52-K58 WeakPolarHBondContact O-CE 3.23Å; M52-K58 PolarHBondContact O-NZ 2.96Å; D54-K58 VanDerWaalsContact OD1-CD 3.24Å; D54-K58 WeakPolarHBondContact OD1-CD 3.49Å; D54-K58 VanDerWaalsContact OD1-CE 3.27Å; D54-K58 WeakPolarHBondContact OD1-CE 3.38Å; D54-K58 IonicContact OD1-NZ 2.88Å; D54-K58 PolarHBondContact OD1-NZ 3.33Å; D54-K58 IonicContact OD2-NZ 2.84Å; G55-K58 PolarHBondContact O-N 2.89Å; K58-S60 VanDerWaalsContact C-N 3.32Å; K58-S60 PolarHBondContact O-N 3.38Å; K58-V61 PolarHBondContact O-N 2.97Å; K58-V61 VanDerWaalsContact O-N 3.17Å; K58-K62 PolarHBondContact O-N 3.33Å
59	E	96.2	Very high	96.7	Very high	84 Å²	84	89.1 Å²	89.1	39%	0.393	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.3	-166.5	59.6	-146.3	0	0	111.5	G55 P56 V61 K62 M63	G55-E59 PolarHBondContact O-N 2.81Å; G55-E59 VanDerWaalsContact O-N 3.13Å; P56-E59 PolarHBondContact O-N 2.85Å; E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.06Å; E59-K62 WeakPolarHBondContact O-CB 3.49Å; E59-K62 PolarHBondContact O-N 3.21Å; E59-K62 IonicContact OE1-NZ 2.76Å; E59-K62 PolarHBondContact OE1-NZ 2.89Å; E59-K62 WeakPolarHBondContact OE2-CD 3.42Å; E59-K62 IonicContact OE2-NZ 3.09Å; E59-K62 PolarHBondContact OE2-NZ 2.85Å; E59-M63 WeakPolarHBondContact O-CG 3.44Å; E59-M63 PolarHBondContact O-N 3.39Å
60	S	96.6	Very high	96.7	Very high	62 Å²	62	94.9 Å²	94.9	43%	0.434	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-34.5	174.5	83.6	0	0	0	0	113.2	P56 A57 K58 K64	P56-S60 PolarHBondContact O-N 2.69Å; A57-S60 PolarHBondContact O-N 3.13Å; A57-S60 PolarHBondContact O-OG 2.75Å; K58-S60 VanDerWaalsContact C-N 3.32Å; K58-S60 PolarHBondContact O-N 3.38Å; S60-K64 WeakPolarHBondContact O-CG 3.47Å; S60-K64 PolarHBondContact O-N 3.17Å
61	V	97.5	Very high	96.7	Very high	6 Å²	6	92.6 Å²	92.6	4%	0.036	46%	0.456	C	S	.	.	H	α-helix	trans	-73.8	-42	176	178.1	0	0	0	0	110.5	Y45 Q48 M49 M52 A57 K58 E59 M63 K64 A65	Y45-V61 HydrophobicContact CD1-CG1 3.71Å; Y45-V61 HydrophobicContact CE1-CG1 4.38Å; Q48-V61 HydrophobicContact CB-CG1 4.46Å; Q48-V61 HydrophobicContact CG-CG1 4.22Å; M49-V61 HydrophobicContact CG-CB 4.13Å; M49-V61 HydrophobicContact CG-CG1 3.61Å; M49-V61 HydrophobicContact SD-CG1 4.37Å; M52-V61 HydrophobicContact CE-CG2 4.06Å; M52-V61 HydrophobicContact SD-CB 4.45Å; M52-V61 HydrophobicContact SD-CG2 3.88Å; A57-V61 WeakPolarHBondContact O-CG2 3.49Å; A57-V61 PolarHBondContact O-N 2.96Å; K58-V61 PolarHBondContact O-N 2.97Å; K58-V61 VanDerWaalsContact O-N 3.17Å; E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.06Å; V61-M63 VanDerWaalsContact C-N 3.33Å; V61-M63 PolarHBondContact O-N 2.92Å; V61-K64 WeakPolarHBondContact O-CB 3.19Å; V61-K64 PolarHBondContact O-N 2.99Å; V61-K64 VanDerWaalsContact O-N 3.13Å; V61-A65 PolarHBondContact O-N 2.89Å
62	K	97.1	Very high	96.8	Very high	88 Å²	88	85 Å²	85	38%	0.383	42%	0.423	S	S	.	.	H	α-helix	trans	-58.1	-42.5	173.3	178.2	173.7	154.5	-126.3	0	112.1	M49 K58 E59 K64 A65 L66	M49-K62 VanDerWaalsContact SD-CA 3.56Å; M49-K62 HydrophobicContact SD-CB 3.69Å; M49-K62 HydrophobicContact SD-CG 4.4Å; K58-K62 PolarHBondContact O-N 3.33Å; E59-K62 WeakPolarHBondContact O-CB 3.49Å; E59-K62 PolarHBondContact O-N 3.21Å; E59-K62 IonicContact OE1-NZ 2.76Å; E59-K62 PolarHBondContact OE1-NZ 2.89Å; E59-K62 WeakPolarHBondContact OE2-CD 3.42Å; E59-K62 IonicContact OE2-NZ 3.09Å; E59-K62 PolarHBondContact OE2-NZ 2.85Å; K62-K64 VanDerWaalsContact C-N 3.31Å; K62-K64 PolarHBondContact O-N 2.91Å; K62-A65 WeakPolarHBondContact O-CB 3.32Å; K62-A65 PolarHBondContact O-N 3.03Å; K62-L66 HydrophobicContact CG-CD1 4.27Å; K62-L66 WeakPolarHBondContact O-CG 3.42Å; K62-L66 PolarHBondContact O-N 2.74Å
63	M	97.1	Very high	96.9	Very high	115 Å²	115	89.1 Å²	89.1	57%	0.567	44%	0.44	S	S	*	.	H	α-helix	trans	-64.4	-32.6	175.9	-69.9	-62.4	-76.6	0	0	113.1	E59 V61 L66 R67	E59-M63 WeakPolarHBondContact O-CG 3.44Å; E59-M63 PolarHBondContact O-N 3.39Å; V61-M63 VanDerWaalsContact C-N 3.33Å; V61-M63 PolarHBondContact O-N 2.92Å; M63-L66 HydrophobicContact SD-CD1 4.13Å; M63-R67 PolarHBondContact O-N 3.25Å
64	K	96.2	Very high	97	Very high	115 Å²	115	81.6 Å²	81.6	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-47.8	170	-67.4	173.9	-177.3	-179.4	0	111.1	Y45 S60 V61 K62 L66 R67 I68	Y45-K64 HydrophobicContact CE1-CB 3.89Å; Y45-K64 HydrophobicContact CE1-CD 4.25Å; S60-K64 WeakPolarHBondContact O-CG 3.47Å; S60-K64 PolarHBondContact O-N 3.17Å; V61-K64 WeakPolarHBondContact O-CB 3.19Å; V61-K64 PolarHBondContact O-N 2.99Å; V61-K64 VanDerWaalsContact O-N 3.13Å; K62-K64 VanDerWaalsContact C-N 3.31Å; K62-K64 PolarHBondContact O-N 2.91Å; K64-L66 VanDerWaalsContact C-N 3.32Å; K64-L66 PolarHBondContact O-N 3.49Å; K64-R67 WeakPolarHBondContact O-CB 3.46Å; K64-R67 PolarHBondContact O-N 3.11Å; K64-I68 PolarHBondContact O-N 3.07Å
65	A	97.3	Very high	97.2	Very high	11 Å²	11	78 Å²	78	9%	0.091	40%	0.397	C	S	.	.	H	α-helix	trans	-57.9	-41.6	177.7	0	0	0	0	0	112.5	L42 Y45 M49 V61 K62 R67 I68 L69	L42-A65 WeakPolarHBondContact CD2-O 3.45Å; Y45-A65 HydrophobicContact CD2-CB 4.32Å; Y45-A65 HydrophobicContact CG-CB 4.07Å; M49-A65 HydrophobicContact CE-CB 4.08Å; V61-A65 PolarHBondContact O-N 2.89Å; K62-A65 WeakPolarHBondContact O-CB 3.32Å; K62-A65 PolarHBondContact O-N 3.03Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 2.85Å; A65-I68 PolarHBondContact O-N 3.43Å; A65-L69 WeakPolarHBondContact O-CB 3.34Å; A65-L69 PolarHBondContact O-N 3.17Å
66	L	97.8	Very high	97.3	Very high	87 Å²	87	79.7 Å²	79.7	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-33.3	175.7	-73.2	172.2	0	0	0	113	K62 M63 K64 K70	K62-L66 HydrophobicContact CG-CD1 4.27Å; K62-L66 WeakPolarHBondContact O-CG 3.42Å; K62-L66 PolarHBondContact O-N 2.74Å; M63-L66 HydrophobicContact SD-CD1 4.13Å; K64-L66 VanDerWaalsContact C-N 3.32Å; K64-L66 PolarHBondContact O-N 3.49Å; L66-K70 WeakPolarHBondContact O-CB 3.34Å; L66-K70 PolarHBondContact O-N 3.01Å
67	R	97.2	Very high	97.3	Very high	194 Å²	194	77.4 Å²	77.4	73%	0.732	38%	0.375	S	S	*	.	H	α-helix	trans	-66.3	-45.4	173.8	-173.5	-177.6	-65	-169	-1.9	111.4	M63 K64 A65 K70 Q71	M63-R67 PolarHBondContact O-N 3.25Å; K64-R67 WeakPolarHBondContact O-CB 3.46Å; K64-R67 PolarHBondContact O-N 3.11Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 2.85Å; R67-K70 PolarHBondContact O-N 2.97Å; R67-Q71 PolarHBondContact O-N 3.28Å
68	I	97.7	Very high	97.3	Very high	16 Å²	16	77.9 Å²	77.9	8%	0.082	37%	0.367	C	S	.	.	H	α-helix	trans	-63.1	-43	175.9	-58.7	-46.9	0	0	0	110.6	L38 E41 L42 Y45 K64 A65 K70 Q71 K72	L38-I68 HydrophobicContact CB-CG2 4.02Å; L38-I68 HydrophobicContact CD2-CD1 4.48Å; L38-I68 HydrophobicContact CD2-CG2 3.69Å; L38-I68 HydrophobicContact CG-CG2 4.46Å; E41-I68 HydrophobicContact CB-CG2 3.96Å; E41-I68 WeakPolarHBondContact OE2-CD1 3.49Å; L42-I68 HydrophobicContact CD1-CG2 4.42Å; L42-I68 HydrophobicContact CD2-CB 4.13Å; L42-I68 HydrophobicContact CD2-CG2 4.05Å; L42-I68 HydrophobicContact CG-CB 4.42Å; L42-I68 HydrophobicContact CG-CG2 3.77Å; Y45-I68 HydrophobicContact CD2-CG1 4.33Å; Y45-I68 HydrophobicContact CE2-CG1 3.79Å; K64-I68 PolarHBondContact O-N 3.07Å; A65-I68 PolarHBondContact O-N 3.43Å; I68-K70 PolarHBondContact O-N 2.99Å; I68-Q71 WeakPolarHBondContact O-CB 3.36Å; I68-Q71 PolarHBondContact O-N 2.94Å; I68-Q71 VanDerWaalsContact O-N 3.17Å; I68-K72 PolarHBondContact O-N 3.47Å
69	L	98.2	Very high	97.3	Very high	69 Å²	69	79.8 Å²	79.8	36%	0.361	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-41.7	176.3	-176.9	61.6	0	0	0	112.2	L42 A65 Q71 K72 K73	L42-L69 HydrophobicContact CD1-CB 4.48Å; L42-L69 HydrophobicContact CD1-CD1 4.05Å; L42-L69 HydrophobicContact CD2-CB 4Å; A65-L69 WeakPolarHBondContact O-CB 3.34Å; A65-L69 PolarHBondContact O-N 3.17Å; L69-Q71 VanDerWaalsContact C-N 3.34Å; L69-K72 PolarHBondContact O-N 2.71Å; L69-K73 PolarHBondContact O-N 3.01Å
70	K	97.9	Very high	97.3	Very high	160 Å²	160	81.5 Å²	81.5	70%	0.696	38%	0.384	S	S	*	.	H	α-helix	trans	-62.1	-42.6	173.9	-175.6	177.8	-176.1	179.9	0	111.4	L66 R67 I68 K72 K73 V74	L66-K70 WeakPolarHBondContact O-CB 3.34Å; L66-K70 PolarHBondContact O-N 3.01Å; R67-K70 PolarHBondContact O-N 2.97Å; I68-K70 PolarHBondContact O-N 2.99Å; K70-K72 VanDerWaalsContact C-N 3.35Å; K70-K73 PolarHBondContact O-N 3.25Å; K70-V74 WeakPolarHBondContact O-CG2 3.39Å; K70-V74 PolarHBondContact O-N 3.3Å
71	Q	96.8	Very high	97.3	Very high	82 Å²	82	83.3 Å²	83.3	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-64.3	-40.2	176.5	-172.9	176.8	0.2	0	0	111.7	L38 R67 I68 L69 V74 Y75	L38-Q71 HydrophobicContact CD1-CB 4.35Å; L38-Q71 HydrophobicContact CD1-CG 3.93Å; L38-Q71 HydrophobicContact CD2-CB 4.43Å; L38-Q71 HydrophobicContact CD2-CG 4.23Å; R67-Q71 PolarHBondContact O-N 3.28Å; I68-Q71 WeakPolarHBondContact O-CB 3.36Å; I68-Q71 PolarHBondContact O-N 2.94Å; I68-Q71 VanDerWaalsContact O-N 3.17Å; L69-Q71 VanDerWaalsContact C-N 3.34Å; Q71-V74 PolarHBondContact O-N 2.98Å; Q71-Y75 HydrophobicContact CG-CD2 4.17Å; Q71-Y75 HydrophobicContact CG-CE2 3.72Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.33Å; Q71-Y75 PolarHBondContact O-N 3.3Å
72	K	98.1	Very high	97.2	Very high	26 Å²	26	83.3 Å²	83.3	11%	0.113	39%	0.385	C	S	.	.	H	α-helix	trans	-58.6	-50.9	175	-164.4	-157.9	178.4	-167	0	111	I35 L38 D39 L42 I68 L69 K70 V74 Y75 E76	I35-K72 VanDerWaalsContact CG2-CE 3.43Å; I35-K72 HydrophobicContact CG2-CG 4.29Å; L38-K72 HydrophobicContact CB-CB 4.19Å; L38-K72 HydrophobicContact CB-CG 4.27Å; L38-K72 HydrophobicContact CD1-CB 4.26Å; D39-K72 WeakPolarHBondContact OD1-CD 3.38Å; D39-K72 WeakPolarHBondContact OD1-CE 3.38Å; D39-K72 IonicContact OD1-NZ 2.77Å; D39-K72 PolarHBondContact OD1-NZ 2.84Å; D39-K72 WeakPolarHBondContact OD2-CE 3.46Å; D39-K72 IonicContact OD2-NZ 2.62Å; D39-K72 PolarHBondContact OD2-NZ 3.33Å; L42-K72 HydrophobicContact CD1-CD 4.09Å; I68-K72 PolarHBondContact O-N 3.47Å; L69-K72 PolarHBondContact O-N 2.71Å; K70-K72 VanDerWaalsContact C-N 3.35Å; K72-V74 PolarHBondContact O-N 3.45Å; K72-Y75 CarbonylContact O-C 3.49Å; K72-Y75 WeakPolarHBondContact O-CA 3.35Å; K72-Y75 PolarHBondContact O-N 2.93Å; K72-E76 WeakPolarHBondContact CD-OE1 3.45Å; K72-E76 WeakPolarHBondContact CE-OE1 3.38Å; K72-E76 HydrophobicContact CG-CG 4.32Å; K72-E76 IonicContact NZ-OE1 2.63Å; K72-E76 PolarHBondContact NZ-OE1 3.16Å; K72-E76 WeakPolarHBondContact O-CG 3.29Å; K72-E76 PolarHBondContact O-N 2.91Å
73	K	98.2	Very high	97.1	Very high	135 Å²	135	82.7 Å²	82.7	59%	0.587	39%	0.392	S	S	*	.	H	α-helix	trans	-57.4	-34.1	178	-75	-166.8	169.5	-159.4	0	114	L69 K70 E76 N77	L69-K73 PolarHBondContact O-N 3.01Å; K70-K73 PolarHBondContact O-N 3.25Å; K73-E76 WeakPolarHBondContact CA-OE2 3.43Å; K73-E76 WeakPolarHBondContact CG-OE2 3.42Å; K73-N77 WeakPolarHBondContact O-CB 3.44Å; K73-N77 PolarHBondContact O-N 2.91Å
74	V	97.8	Very high	97	Very high	72 Å²	72	81.4 Å²	81.4	44%	0.436	39%	0.387	S	S	.	.	H	α-helix	trans	-66.4	-39	174.1	171.6	0	0	0	0	111.3	K70 Q71 K72 Q78	K70-V74 WeakPolarHBondContact O-CG2 3.39Å; K70-V74 PolarHBondContact O-N 3.3Å; Q71-V74 PolarHBondContact O-N 2.98Å; K72-V74 PolarHBondContact O-N 3.45Å; V74-Q78 VanDerWaalsContact O-CG 3.32Å; V74-Q78 WeakPolarHBondContact O-CG 3.28Å; V74-Q78 PolarHBondContact O-N 2.99Å; V74-Q78 VanDerWaalsContact O-N 3.08Å
75	Y	98.2	Very high	96.9	Very high	50 Å²	50	79.5 Å²	79.5	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-74.4	-37.2	175	-70.2	-54.6	0	0	0	113.1	V31 K34 L38 Q71 K72 N77 Q78 K79	V31-Y75 WeakPolarHBondContact CG1-O 3.46Å; K34-Y75 HydrophobicContact CB-CD2 4.13Å; K34-Y75 HydrophobicContact CB-CE2 4.12Å; K34-Y75 HydrophobicContact CB-CG 4.39Å; K34-Y75 HydrophobicContact CD-CD1 4.23Å; K34-Y75 HydrophobicContact CD-CE1 3.75Å; K34-Y75 HydrophobicContact CD-CE2 4.31Å; L38-Y75 HydrophobicContact CD1-CD2 3.47Å; L38-Y75 VanDerWaalsContact CD1-CD2 3.47Å; L38-Y75 HydrophobicContact CD1-CE2 3.81Å; Q71-Y75 HydrophobicContact CG-CD2 4.17Å; Q71-Y75 HydrophobicContact CG-CE2 3.72Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.33Å; Q71-Y75 PolarHBondContact O-N 3.3Å; K72-Y75 CarbonylContact O-C 3.49Å; K72-Y75 WeakPolarHBondContact O-CA 3.35Å; K72-Y75 PolarHBondContact O-N 2.93Å; Y75-N77 VanDerWaalsContact C-N 3.35Å; Y75-N77 PolarHBondContact O-N 2.89Å; Y75-Q78 CarbonylContact O-C 3.56Å; Y75-Q78 WeakPolarHBondContact O-CB 3.12Å; Y75-Q78 PolarHBondContact O-N 3.04Å; Y75-Q78 VanDerWaalsContact O-N 3.08Å; Y75-K79 PolarHBondContact O-N 3.39Å
76	E	97.6	Very high	96.7	Very high	71 Å²	71	79.6 Å²	79.6	33%	0.332	38%	0.38	S	S	.	.	H	α-helix	trans	-57	-47.7	172.3	-70.1	168.8	151	0	0	110.6	I35 K72 K73 Q78 K79 E80	I35-E76 HydrophobicContact CD1-CG 4.13Å; K72-E76 WeakPolarHBondContact CD-OE1 3.45Å; K72-E76 WeakPolarHBondContact CE-OE1 3.38Å; K72-E76 HydrophobicContact CG-CG 4.32Å; K72-E76 IonicContact NZ-OE1 2.63Å; K72-E76 PolarHBondContact NZ-OE1 3.16Å; K72-E76 WeakPolarHBondContact O-CG 3.29Å; K72-E76 PolarHBondContact O-N 2.91Å; K73-E76 WeakPolarHBondContact CA-OE2 3.43Å; K73-E76 WeakPolarHBondContact CG-OE2 3.42Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 3.47Å; E76-K79 WeakPolarHBondContact O-CB 3.22Å; E76-K79 PolarHBondContact O-N 3.49Å; E76-K79 VanDerWaalsContact O-N 3.14Å; E76-E80 PolarHBondContact O-N 3.27Å
77	N	97.1	Very high	96.5	Very high	75 Å²	75	80.7 Å²	80.7	40%	0.401	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-37.1	172.8	173.3	105.7	0	0	0	112.8	K73 Y75 K79 Q81	K73-N77 WeakPolarHBondContact O-CB 3.44Å; K73-N77 PolarHBondContact O-N 2.91Å; Y75-N77 VanDerWaalsContact C-N 3.35Å; Y75-N77 PolarHBondContact O-N 2.89Å; N77-K79 VanDerWaalsContact C-N 3.34Å; N77-Q81 PolarHBondContact ND2-NE2 3.21Å; N77-Q81 VanDerWaalsContact O-CG 3.3Å; N77-Q81 WeakPolarHBondContact O-CG 3.16Å; N77-Q81 PolarHBondContact O-N 3.15Å
78	Q	95	Very high	96.3	Very high	72 Å²	72	75.8 Å²	75.8	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-34.5	174.6	-75.5	173.4	17	0	0	112.2	V31 V74 Y75 E76 L82	V31-Q78 HydrophobicContact CG1-CB 4.45Å; V31-Q78 HydrophobicContact CG2-CB 4.4Å; V74-Q78 VanDerWaalsContact O-CG 3.32Å; V74-Q78 WeakPolarHBondContact O-CG 3.28Å; V74-Q78 PolarHBondContact O-N 2.99Å; V74-Q78 VanDerWaalsContact O-N 3.08Å; Y75-Q78 CarbonylContact O-C 3.56Å; Y75-Q78 WeakPolarHBondContact O-CB 3.12Å; Y75-Q78 PolarHBondContact O-N 3.04Å; Y75-Q78 VanDerWaalsContact O-N 3.08Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 3.47Å; Q78-L82 VanDerWaalsContact O-CG 3.3Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 3.42Å; Q78-L82 VanDerWaalsContact O-N 3.08Å
79	K	97.2	Very high	96	Very high	86 Å²	86	76.1 Å²	76.1	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-48	173.9	-177.7	-179.8	-175.7	154.5	0	110.8	V31 D32 I35 Y75 E76 N77 Q81 L82 S83	V31-K79 HydrophobicContact CG1-CB 3.9Å; D32-K79 VanDerWaalsContact OD1-CD 3.26Å; D32-K79 WeakPolarHBondContact OD1-CD 3.5Å; D32-K79 WeakPolarHBondContact OD1-CE 3.39Å; D32-K79 IonicContact OD1-NZ 2.63Å; D32-K79 PolarHBondContact OD1-NZ 2.97Å; D32-K79 WeakPolarHBondContact OD2-CE 3.29Å; D32-K79 IonicContact OD2-NZ 4Å; D32-K79 PolarHBondContact OD2-NZ 2.72Å; I35-K79 HydrophobicContact CD1-CB 4.33Å; I35-K79 HydrophobicContact CD1-CD 4.35Å; Y75-K79 PolarHBondContact O-N 3.39Å; E76-K79 WeakPolarHBondContact O-CB 3.22Å; E76-K79 PolarHBondContact O-N 3.49Å; E76-K79 VanDerWaalsContact O-N 3.14Å; N77-K79 VanDerWaalsContact C-N 3.34Å; K79-Q81 VanDerWaalsContact C-N 3.32Å; K79-Q81 PolarHBondContact O-N 2.88Å; K79-L82 WeakPolarHBondContact O-CB 3.46Å; K79-L82 PolarHBondContact O-N 3.16Å; K79-L82 VanDerWaalsContact O-N 3.08Å; K79-S83 PolarHBondContact O-N 3.14Å
80	E	97	Very high	95.7	Very high	120 Å²	120	77.5 Å²	77.5	56%	0.561	38%	0.376	S	S	*	.	H	α-helix	trans	-56.2	-46.4	176.1	-173.6	-176	171.3	0	0	111.5	E76 L82 S83 N84	E76-E80 PolarHBondContact O-N 3.27Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.73Å; E80-S83 WeakPolarHBondContact O-CB 3.23Å; E80-S83 PolarHBondContact O-N 3Å; E80-N84 VanDerWaalsContact O-CG 3.31Å; E80-N84 PolarHBondContact O-N 2.93Å
81	Q	95.6	Very high	95.4	Very high	99 Å²	99	74.9 Å²	74.9	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-34.4	175.4	-72.6	175.2	-0.2	0	0	113.6	N77 K79 Q85	N77-Q81 PolarHBondContact ND2-NE2 3.21Å; N77-Q81 VanDerWaalsContact O-CG 3.3Å; N77-Q81 WeakPolarHBondContact O-CG 3.16Å; N77-Q81 PolarHBondContact O-N 3.15Å; K79-Q81 VanDerWaalsContact C-N 3.32Å; K79-Q81 PolarHBondContact O-N 2.88Å; Q81-Q85 WeakPolarHBondContact O-CG 3.43Å; Q81-Q85 PolarHBondContact O-N 2.81Å; Q81-Q85 PolarHBondContact O-NE2 3.49Å
82	L	96.2	Very high	95.1	Very high	7 Å²	7	74.4 Å²	74.4	4%	0.037	37%	0.369	C	S	.	.	H	α-helix	trans	-74	-39.2	174.9	-72.5	165.3	0	0	0	111.8	V24 R27 A28 V31 Q78 K79 E80 N84 Q85 S86	V24-L82 HydrophobicContact CG1-CB 4.47Å; V24-L82 HydrophobicContact CG1-CD2 4.29Å; V24-L82 WeakPolarHBondContact CG1-O 3.44Å; R27-L82 HydrophobicContact CB-CD1 4Å; R27-L82 HydrophobicContact CB-CD2 3.97Å; A28-L82 HydrophobicContact CB-CB 4.49Å; A28-L82 HydrophobicContact CB-CD1 4.4Å; V31-L82 HydrophobicContact CG2-CD1 3.94Å; Q78-L82 VanDerWaalsContact O-CG 3.3Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 3.42Å; Q78-L82 VanDerWaalsContact O-N 3.08Å; K79-L82 WeakPolarHBondContact O-CB 3.46Å; K79-L82 PolarHBondContact O-N 3.16Å; K79-L82 VanDerWaalsContact O-N 3.08Å; E80-L82 VanDerWaalsContact C-N 3.3Å; E80-L82 PolarHBondContact O-N 2.73Å; L82-N84 VanDerWaalsContact C-N 3.34Å; L82-N84 PolarHBondContact O-N 3.35Å; L82-Q85 WeakPolarHBondContact O-CB 3.45Å; L82-Q85 PolarHBondContact O-N 3Å; L82-Q85 VanDerWaalsContact O-N 3.16Å; L82-S86 PolarHBondContact O-N 3.29Å
83	S	95.3	Very high	94.8	Very high	75 Å²	75	75.4 Å²	75.4	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-59.6	-45.3	174.5	-160.5	0	0	0	0	111.2	K79 E80 Q85 S86 F87	K79-S83 PolarHBondContact O-N 3.14Å; E80-S83 WeakPolarHBondContact O-CB 3.23Å; E80-S83 PolarHBondContact O-N 3Å; S83-Q85 VanDerWaalsContact C-N 3.31Å; S83-Q85 PolarHBondContact O-N 3.16Å; S83-S86 PolarHBondContact O-N 3.07Å; S83-F87 PolarHBondContact O-N 3.1Å
84	N	95.3	Very high	94.5	Very high	87 Å²	87	76.2 Å²	76.2	47%	0.465	38%	0.379	S	S	.	.	H	α-helix	trans	-66.2	-32.4	176.4	-65.5	-14.7	0	0	0	112.2	E80 L82 N88	E80-N84 VanDerWaalsContact O-CG 3.31Å; E80-N84 PolarHBondContact O-N 2.93Å; L82-N84 VanDerWaalsContact C-N 3.34Å; L82-N84 PolarHBondContact O-N 3.35Å; N84-N88 WeakPolarHBondContact O-CB 3.46Å; N84-N88 PolarHBondContact O-N 3.4Å; N84-N88 PolarHBondContact O-ND2 3.4Å; N84-N88 VanDerWaalsContact O-ND2 3.13Å
85	Q	93.1	Very high	94.2	Very high	75 Å²	75	75.2 Å²	75.2	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-48	170.4	-81.8	159.4	70.1	0	0	111.2	V24 Q81 L82 S83 N88 I89	V24-Q85 HydrophobicContact CG1-CB 4.46Å; V24-Q85 HydrophobicContact CG2-CB 4.5Å; Q81-Q85 WeakPolarHBondContact O-CG 3.43Å; Q81-Q85 PolarHBondContact O-N 2.81Å; Q81-Q85 PolarHBondContact O-NE2 3.49Å; L82-Q85 WeakPolarHBondContact O-CB 3.45Å; L82-Q85 PolarHBondContact O-N 3Å; L82-Q85 VanDerWaalsContact O-N 3.16Å; S83-Q85 VanDerWaalsContact C-N 3.31Å; S83-Q85 PolarHBondContact O-N 3.16Å; Q85-N88 PolarHBondContact O-N 3.09Å; Q85-I89 WeakPolarHBondContact O-CB 3.37Å; Q85-I89 VanDerWaalsContact O-CD1 3.28Å; Q85-I89 WeakPolarHBondContact O-CD1 3.43Å; Q85-I89 WeakPolarHBondContact O-CG1 3.47Å; Q85-I89 PolarHBondContact O-N 2.76Å
86	S	92.5	Very high	93.9	Very high	14 Å²	14	75.9 Å²	75.9	10%	0.098	39%	0.385	C	S	.	.	H	α-helix	trans	-57.8	-51.6	178.8	-157.3	0	0	0	0	111.4	L82 S83 N88 I89 E90	L82-S86 PolarHBondContact O-N 3.29Å; S83-S86 PolarHBondContact O-N 3.07Å; S86-N88 PolarHBondContact O-N 3.17Å; S86-I89 CarbonylContact O-C 3.58Å; S86-I89 WeakPolarHBondContact O-CA 3.31Å; S86-I89 WeakPolarHBondContact O-CB 3.4Å; S86-I89 PolarHBondContact O-N 3.08Å; S86-E90 WeakPolarHBondContact CB-OE1 3.3Å; S86-E90 WeakPolarHBondContact O-CG 3.39Å; S86-E90 PolarHBondContact O-N 3.44Å; S86-E90 PolarHBondContact OG-OE1 3.01Å
87	F	93.9	Very high	93.7	Very high	110 Å²	110	76.3 Å²	76.3	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-44.9	178.5	179.8	-108.7	0	0	0	112.9	S83 I89 E90 Q91	S83-F87 PolarHBondContact O-N 3.1Å; F87-I89 VanDerWaalsContact C-N 3.31Å; F87-I89 PolarHBondContact O-N 2.91Å; F87-E90 PolarHBondContact O-N 3.31Å; F87-Q91 HydrophobicContact CE1-CG 4.16Å; F87-Q91 HydrophobicContact CE2-CG 4.08Å; F87-Q91 HydrophobicContact CZ-CG 3.89Å; F87-Q91 WeakPolarHBondContact O-CG 3.43Å; F87-Q91 PolarHBondContact O-N 2.61Å
88	N	92.6	Very high	93.5	Very high	91 Å²	91	75.6 Å²	75.6	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-35.6	176.5	-72.5	-21.8	0	0	0	112.6	N84 Q85 S86 T92	N84-N88 WeakPolarHBondContact O-CB 3.46Å; N84-N88 PolarHBondContact O-N 3.4Å; N84-N88 PolarHBondContact O-ND2 3.4Å; N84-N88 VanDerWaalsContact O-ND2 3.13Å; Q85-N88 PolarHBondContact O-N 3.09Å; S86-N88 PolarHBondContact O-N 3.17Å; N88-T92 WeakPolarHBondContact O-CB 3.35Å; N88-T92 PolarHBondContact O-N 2.99Å; N88-T92 VanDerWaalsContact O-N 3.07Å; N88-T92 PolarHBondContact O-OG1 3.33Å
89	I	92.3	Very high	93.3	Very high	22 Å²	22	77 Å²	77	11%	0.113	40%	0.399	C	S	.	.	H	α-helix	trans	-69.8	-41.5	175.6	-71	159.6	0	0	0	111.1	L17 V20 I21 V24 Q85 S86 F87 T92 N93	L17-I89 HydrophobicContact CD1-CG2 3.74Å; L17-I89 HydrophobicContact CG-CG2 3.92Å; V20-I89 HydrophobicContact CG1-CD1 3.65Å; V20-I89 HydrophobicContact CG1-CG1 4.4Å; I21-I89 HydrophobicContact CD1-CG2 3.95Å; I21-I89 HydrophobicContact CG1-CG2 3.33Å; V24-I89 HydrophobicContact CG2-CD1 3.8Å; Q85-I89 WeakPolarHBondContact O-CB 3.37Å; Q85-I89 VanDerWaalsContact O-CD1 3.28Å; Q85-I89 WeakPolarHBondContact O-CD1 3.43Å; Q85-I89 WeakPolarHBondContact O-CG1 3.47Å; Q85-I89 PolarHBondContact O-N 2.76Å; S86-I89 CarbonylContact O-C 3.58Å; S86-I89 WeakPolarHBondContact O-CA 3.31Å; S86-I89 WeakPolarHBondContact O-CB 3.4Å; S86-I89 PolarHBondContact O-N 3.08Å; F87-I89 VanDerWaalsContact C-N 3.31Å; F87-I89 PolarHBondContact O-N 2.91Å; I89-T92 CarbonylContact O-C 3.48Å; I89-T92 WeakPolarHBondContact O-CB 3.23Å; I89-T92 PolarHBondContact O-N 2.86Å; I89-N93 WeakPolarHBondContact O-CB 3.47Å; I89-N93 PolarHBondContact O-N 2.72Å
90	E	91.5	Very high	93.2	Very high	98 Å²	98	78.9 Å²	78.9	46%	0.458	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-46.7	177.2	-72.9	161.1	-132	0	0	111.5	S86 F87 T92 N93 F94	S86-E90 WeakPolarHBondContact CB-OE1 3.3Å; S86-E90 WeakPolarHBondContact O-CG 3.39Å; S86-E90 PolarHBondContact O-N 3.44Å; S86-E90 PolarHBondContact OG-OE1 3.01Å; F87-E90 PolarHBondContact O-N 3.31Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 2.79Å; E90-N93 WeakPolarHBondContact O-CB 3.37Å; E90-N93 PolarHBondContact O-N 3.42Å; E90-N93 VanDerWaalsContact O-N 3.09Å; E90-F94 PolarHBondContact O-N 3.34Å
91	Q	92.6	Very high	93	Very high	105 Å²	105	77.9 Å²	77.9	49%	0.491	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-40.9	172.2	-72.2	-158.1	101.2	0	0	111.9	F87 N93 F94 A95	F87-Q91 HydrophobicContact CE1-CG 4.16Å; F87-Q91 HydrophobicContact CE2-CG 4.08Å; F87-Q91 HydrophobicContact CZ-CG 3.89Å; F87-Q91 WeakPolarHBondContact O-CG 3.43Å; F87-Q91 PolarHBondContact O-N 2.61Å; Q91-N93 VanDerWaalsContact C-N 3.33Å; Q91-N93 PolarHBondContact O-N 3.31Å; Q91-F94 PolarHBondContact O-N 2.92Å; Q91-A95 WeakPolarHBondContact O-CB 3.48Å; Q91-A95 PolarHBondContact O-N 3.28Å
92	T	90.3	Very high	92.9	Very high	72 Å²	72	77 Å²	77	44%	0.442	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-39.6	174.5	-58.2	0	0	0	0	111.3	N88 I89 E90 I96	N88-T92 WeakPolarHBondContact O-CB 3.35Å; N88-T92 PolarHBondContact O-N 2.99Å; N88-T92 VanDerWaalsContact O-N 3.07Å; N88-T92 PolarHBondContact O-OG1 3.33Å; I89-T92 CarbonylContact O-C 3.48Å; I89-T92 WeakPolarHBondContact O-CB 3.23Å; I89-T92 PolarHBondContact O-N 2.86Å; E90-T92 VanDerWaalsContact C-N 3.29Å; E90-T92 PolarHBondContact O-N 2.79Å; T92-I96 HydrophobicContact CG2-CD1 3.87Å; T92-I96 WeakPolarHBondContact O-CB 3.22Å; T92-I96 WeakPolarHBondContact O-CD1 3.29Å; T92-I96 WeakPolarHBondContact O-CG1 3.27Å; T92-I96 PolarHBondContact O-N 3.3Å
93	N	90.8	Very high	92.7	Very high	48 Å²	48	82.7 Å²	82.7	26%	0.257	43%	0.428	S	S	.	.	H	α-helix	trans	-63.3	-48.5	176.8	-162.4	1.3	0	0	0	110.8	L17 I89 E90 Q91 A95 I96 Q97	L17-N93 HydrophobicContact CD2-CB 3.5Å; L17-N93 VanDerWaalsContact CD2-CB 3.5Å; I89-N93 WeakPolarHBondContact O-CB 3.47Å; I89-N93 PolarHBondContact O-N 2.72Å; E90-N93 WeakPolarHBondContact O-CB 3.37Å; E90-N93 PolarHBondContact O-N 3.42Å; E90-N93 VanDerWaalsContact O-N 3.09Å; Q91-N93 VanDerWaalsContact C-N 3.33Å; Q91-N93 PolarHBondContact O-N 3.31Å; N93-A95 PolarHBondContact O-N 2.62Å; N93-I96 PolarHBondContact O-N 3.2Å; N93-I96 VanDerWaalsContact O-N 3.16Å; N93-Q97 WeakPolarHBondContact O-CG 3.37Å; N93-Q97 PolarHBondContact O-N 3.18Å
94	F	92.8	Very high	92.7	Very high	151 Å²	151	83.6 Å²	83.6	66%	0.662	43%	0.43	S	S	*	.	H	α-helix	trans	-56	-51.9	176.2	178.9	-102.3	0	0	0	111.5	E90 Q91 I96 Q97 T98	E90-F94 PolarHBondContact O-N 3.34Å; Q91-F94 PolarHBondContact O-N 2.92Å; F94-I96 VanDerWaalsContact C-N 3.27Å; F94-I96 PolarHBondContact O-N 3.13Å; F94-Q97 WeakPolarHBondContact O-CA 3.44Å; F94-Q97 WeakPolarHBondContact O-CB 3.46Å; F94-Q97 PolarHBondContact O-N 3.29Å; F94-T98 PolarHBondContact O-N 2.87Å; F94-T98 PolarHBondContact O-OG1 2.9Å
95	A	92.5	Very high	92.5	Very high	51 Å²	51	83.4 Å²	83.4	42%	0.421	43%	0.432	S	S	.	.	H	α-helix	trans	-57.6	-39.2	176.9	0	0	0	0	0	112.6	Q91 N93 T98 V99	Q91-A95 WeakPolarHBondContact O-CB 3.48Å; Q91-A95 PolarHBondContact O-N 3.28Å; N93-A95 PolarHBondContact O-N 2.62Å; A95-T98 PolarHBondContact O-N 2.99Å; A95-V99 VanDerWaalsContact O-CG2 3.32Å; A95-V99 WeakPolarHBondContact O-CG2 3.49Å; A95-V99 PolarHBondContact O-N 3.18Å
96	I	91.6	Very high	92.5	Very high	64 Å²	64	82.8 Å²	82.8	33%	0.328	43%	0.434	S	S	.	.	H	α-helix	trans	-65.9	-38.1	175	-69	165.2	0	0	0	111.5	L17 T92 N93 F94 V99 R100	L17-I96 HydrophobicContact CD2-CD1 4.18Å; T92-I96 HydrophobicContact CG2-CD1 3.87Å; T92-I96 WeakPolarHBondContact O-CB 3.22Å; T92-I96 WeakPolarHBondContact O-CD1 3.29Å; T92-I96 WeakPolarHBondContact O-CG1 3.27Å; T92-I96 PolarHBondContact O-N 3.3Å; N93-I96 PolarHBondContact O-N 3.2Å; N93-I96 VanDerWaalsContact O-N 3.16Å; F94-I96 VanDerWaalsContact C-N 3.27Å; F94-I96 PolarHBondContact O-N 3.13Å; I96-V99 PolarHBondContact O-N 3.27Å; I96-R100 WeakPolarHBondContact O-CG 3.26Å; I96-R100 PolarHBondContact O-N 2.86Å
97	Q	91.6	Very high	92.5	Very high	80 Å²	80	84.7 Å²	84.7	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-64.8	-48.6	173.9	-59	-59.4	6	0	0	111	N93 F94 V99 R100 D101	N93-Q97 WeakPolarHBondContact O-CG 3.37Å; N93-Q97 PolarHBondContact O-N 3.18Å; F94-Q97 WeakPolarHBondContact O-CA 3.44Å; F94-Q97 WeakPolarHBondContact O-CB 3.46Å; F94-Q97 PolarHBondContact O-N 3.29Å; Q97-V99 PolarHBondContact O-N 2.99Å; Q97-R100 VanDerWaalsContact NE2-NH1 3.18Å; Q97-R100 CarbonylContact O-C 3.6Å; Q97-R100 WeakPolarHBondContact O-CA 3.46Å; Q97-R100 WeakPolarHBondContact O-CB 3.34Å; Q97-R100 PolarHBondContact O-N 2.88Å; Q97-D101 PolarHBondContact O-N 3.21Å
98	T	93.1	Very high	92.4	Very high	60 Å²	60	82.2 Å²	82.2	37%	0.368	44%	0.442	S	S	.	.	H	α-helix	trans	-54.3	-39.6	176.1	-50.6	0	0	0	0	112.2	F94 A95 T102	F94-T98 PolarHBondContact O-N 2.87Å; F94-T98 PolarHBondContact O-OG1 2.9Å; A95-T98 PolarHBondContact O-N 2.99Å; T98-T102 VanDerWaalsContact O-CB 3.28Å; T98-T102 WeakPolarHBondContact O-CB 3.38Å; T98-T102 PolarHBondContact O-N 3.48Å; T98-T102 PolarHBondContact O-OG1 3.25Å
99	V	92	Very high	92.1	Very high	102 Å²	102	84 Å²	84	62%	0.618	45%	0.449	S	S	*	.	H	α-helix	trans	-68.5	-36.8	174.7	170	0	0	0	0	112.4	A95 I96 Q97 K103	A95-V99 VanDerWaalsContact O-CG2 3.32Å; A95-V99 WeakPolarHBondContact O-CG2 3.49Å; A95-V99 PolarHBondContact O-N 3.18Å; I96-V99 PolarHBondContact O-N 3.27Å; Q97-V99 PolarHBondContact O-N 2.99Å; V99-K103 WeakPolarHBondContact O-CB 3.45Å; V99-K103 PolarHBondContact O-N 2.95Å
100	R	94.8	Very high	92.1	Very high	126 Å²	126	88.9 Å²	88.9	48%	0.475	47%	0.47	S	S	.	.	H	α-helix	trans	-65.9	-45.2	173.6	-72.7	175.1	-172.8	131.9	2.9	111.5	I96 Q97 K103 V104	I96-R100 WeakPolarHBondContact O-CG 3.26Å; I96-R100 PolarHBondContact O-N 2.86Å; Q97-R100 VanDerWaalsContact NE2-NH1 3.18Å; Q97-R100 CarbonylContact O-C 3.6Å; Q97-R100 WeakPolarHBondContact O-CA 3.46Å; Q97-R100 WeakPolarHBondContact O-CB 3.34Å; Q97-R100 PolarHBondContact O-N 2.88Å; R100-K103 WeakPolarHBondContact O-CB 3.19Å; R100-K103 PolarHBondContact O-N 3.43Å; R100-K103 VanDerWaalsContact O-N 3.17Å; R100-V104 WeakPolarHBondContact O-CG2 3.32Å; R100-V104 PolarHBondContact O-N 3.49Å
101	D	93.2	Very high	92.2	Very high	98 Å²	98	88 Å²	88	52%	0.524	47%	0.471	S	S	.	.	H	α-helix	trans	-65.2	-44.3	179.8	-61.3	-26.1	0	0	0	110.4	Q97 K103 V104 T105	Q97-D101 PolarHBondContact O-N 3.21Å; D101-K103 VanDerWaalsContact C-N 3.29Å; D101-K103 PolarHBondContact O-N 3.2Å; D101-V104 WeakPolarHBondContact O-CB 3.48Å; D101-V104 PolarHBondContact O-N 2.99Å; D101-T105 PolarHBondContact O-N 2.84Å; D101-T105 PolarHBondContact O-OG1 3.16Å
102	T	93	Very high	92.1	Very high	82 Å²	82	84.6 Å²	84.6	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-56.3	-42.5	171.7	-59	0	0	0	0	111.7	T98 T105 V106	T98-T102 VanDerWaalsContact O-CB 3.28Å; T98-T102 WeakPolarHBondContact O-CB 3.38Å; T98-T102 PolarHBondContact O-N 3.48Å; T98-T102 PolarHBondContact O-OG1 3.25Å; T102-T105 PolarHBondContact O-N 2.83Å; T102-V106 WeakPolarHBondContact O-CB 3.47Å; T102-V106 WeakPolarHBondContact O-CG2 3.25Å; T102-V106 PolarHBondContact O-N 3.19Å
103	K	93.1	Very high	92.1	Very high	125 Å²	125	84 Å²	84	54%	0.543	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-42.5	175.1	-178.4	-165.7	168.8	-62	0	111.6	V99 R100 D101 V106 D107	V99-K103 WeakPolarHBondContact O-CB 3.45Å; V99-K103 PolarHBondContact O-N 2.95Å; R100-K103 WeakPolarHBondContact O-CB 3.19Å; R100-K103 PolarHBondContact O-N 3.43Å; R100-K103 VanDerWaalsContact O-N 3.17Å; D101-K103 VanDerWaalsContact C-N 3.29Å; D101-K103 PolarHBondContact O-N 3.2Å; K103-V106 PolarHBondContact O-N 2.95Å; K103-D107 IonicContact NZ-OD2 2.71Å; K103-D107 PolarHBondContact NZ-OD2 2.77Å; K103-D107 WeakPolarHBondContact O-CB 3.42Å; K103-D107 PolarHBondContact O-N 3.08Å
104	V	94.5	Very high	92.1	Very high	95 Å²	95	88.4 Å²	88.4	58%	0.576	48%	0.483	S	S	*	.	H	α-helix	trans	-61.4	-45.4	176.7	171.6	0	0	0	0	110.4	R100 D101 V106 D107 A108	R100-V104 WeakPolarHBondContact O-CG2 3.32Å; R100-V104 PolarHBondContact O-N 3.49Å; D101-V104 WeakPolarHBondContact O-CB 3.48Å; D101-V104 PolarHBondContact O-N 2.99Å; V104-V106 PolarHBondContact O-N 3.33Å; V104-D107 PolarHBondContact O-N 3.08Å; V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 2.95Å
105	T	91.6	Very high	92.1	Very high	83 Å²	83	86.5 Å²	86.5	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-58.4	-47.7	174.1	-59.2	0	0	0	0	111.7	D101 T102 D107 A108 M109	D101-T105 PolarHBondContact O-N 2.84Å; D101-T105 PolarHBondContact O-OG1 3.16Å; T102-T105 PolarHBondContact O-N 2.83Å; T105-D107 VanDerWaalsContact C-N 3.33Å; T105-D107 PolarHBondContact O-N 3.45Å; T105-A108 PolarHBondContact O-N 2.98Å; T105-M109 HydrophobicContact CG2-SD 4.27Å; T105-M109 VanDerWaalsContact O-CG 3.29Å; T105-M109 WeakPolarHBondContact O-CG 3.3Å; T105-M109 PolarHBondContact O-N 2.87Å
106	V	91.4	Very high	91.8	Very high	62 Å²	62	89.4 Å²	89.4	38%	0.376	48%	0.484	S	S	.	.	H	α-helix	trans	-62.7	-37.4	177.5	166.1	0	0	0	0	112.3	T102 K103 V104 M109 K110	T102-V106 WeakPolarHBondContact O-CB 3.47Å; T102-V106 WeakPolarHBondContact O-CG2 3.25Å; T102-V106 PolarHBondContact O-N 3.19Å; K103-V106 PolarHBondContact O-N 2.95Å; V104-V106 PolarHBondContact O-N 3.33Å; V106-M109 PolarHBondContact O-N 2.96Å; V106-K110 WeakPolarHBondContact O-CG 3.42Å; V106-K110 PolarHBondContact O-N 3.45Å; V106-K110 VanDerWaalsContact O-N 3.11Å
107	D	93.1	Very high	91.6	Very high	53 Å²	53	93.1 Å²	93.1	28%	0.283	50%	0.498	S	S	.	.	H	α-helix	trans	-71.9	-36.4	176	-71.9	-24.1	0	0	0	111.9	K103 V104 T105 K110 V111	K103-D107 IonicContact NZ-OD2 2.71Å; K103-D107 PolarHBondContact NZ-OD2 2.77Å; K103-D107 WeakPolarHBondContact O-CB 3.42Å; K103-D107 PolarHBondContact O-N 3.08Å; V104-D107 PolarHBondContact O-N 3.08Å; T105-D107 VanDerWaalsContact C-N 3.33Å; T105-D107 PolarHBondContact O-N 3.45Å; D107-K110 PolarHBondContact O-N 3.36Å; D107-K110 IonicContact OD1-NZ 2.83Å; D107-K110 PolarHBondContact OD1-NZ 3.22Å; D107-V111 PolarHBondContact O-N 3.03Å
108	A	92.3	Very high	91.5	Very high	58 Å²	58	93.7 Å²	93.7	48%	0.479	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-42.2	170.5	0	0	0	0	0	112	V104 T105 K110 V111 G112	V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 2.95Å; T105-A108 PolarHBondContact O-N 2.98Å; A108-K110 VanDerWaalsContact C-N 3.3Å; A108-K110 PolarHBondContact O-N 3.45Å; A108-V111 WeakPolarHBondContact O-CB 3.47Å; A108-V111 PolarHBondContact O-N 2.93Å; A108-V111 VanDerWaalsContact O-N 3.1Å; A108-G112 PolarHBondContact O-N 3.38Å
109	M	87.1	Confident	91	Very high	128 Å²	128	95.6 Å²	95.6	63%	0.631	51%	0.506	S	S	*	.	H	α-helix	trans	-60.4	-36.9	174.1	-70.9	174	77.9	0	0	112.4	T105 V106 V111 G112 A113	T105-M109 HydrophobicContact CG2-SD 4.27Å; T105-M109 VanDerWaalsContact O-CG 3.29Å; T105-M109 WeakPolarHBondContact O-CG 3.3Å; T105-M109 PolarHBondContact O-N 2.87Å; V106-M109 PolarHBondContact O-N 2.96Å; M109-V111 VanDerWaalsContact C-N 3.35Å; M109-G112 PolarHBondContact O-N 3.39Å; M109-A113 VanDerWaalsContact O-CB 3.26Å; M109-A113 WeakPolarHBondContact O-CB 3.36Å; M109-A113 PolarHBondContact O-N 2.85Å
110	K	92.2	Very high	90.3	Very high	125 Å²	125	96.7 Å²	96.7	54%	0.543	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-36.3	174	-69.2	166.4	-162.6	157.9	0	112.3	V106 D107 A108 K114	V106-K110 WeakPolarHBondContact O-CG 3.42Å; V106-K110 PolarHBondContact O-N 3.45Å; V106-K110 VanDerWaalsContact O-N 3.11Å; D107-K110 PolarHBondContact O-N 3.36Å; D107-K110 IonicContact OD1-NZ 2.83Å; D107-K110 PolarHBondContact OD1-NZ 3.22Å; A108-K110 VanDerWaalsContact C-N 3.3Å; A108-K110 PolarHBondContact O-N 3.45Å; K110-K114 WeakPolarHBondContact O-CB 3.45Å; K110-K114 PolarHBondContact O-N 2.88Å; K110-K114 VanDerWaalsContact O-N 3.15Å
111	V	93.3	Very high	89.8	Confident	79 Å²	79	98.4 Å²	98.4	48%	0.479	52%	0.517	S	S	.	.	H	α-helix	trans	-66.3	-51.9	173.9	175.2	0	0	0	0	109.7	D107 A108 M109 A113 K114 E115	D107-V111 PolarHBondContact O-N 3.03Å; A108-V111 WeakPolarHBondContact O-CB 3.47Å; A108-V111 PolarHBondContact O-N 2.93Å; A108-V111 VanDerWaalsContact O-N 3.1Å; M109-V111 VanDerWaalsContact C-N 3.35Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 2.63Å; V111-K114 WeakPolarHBondContact O-CA 3.24Å; V111-K114 WeakPolarHBondContact O-CB 3.44Å; V111-K114 PolarHBondContact O-N 3.12Å; V111-E115 PolarHBondContact O-N 3.08Å
112	G	90.4	Very high	89.3	Confident	34 Å²	34	99.9 Å²	99.9	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-57.4	-42.6	177.2	0	0	0	0	0	113.1	A108 M109 K114 E115 L116	A108-G112 PolarHBondContact O-N 3.38Å; M109-G112 PolarHBondContact O-N 3.39Å; G112-K114 VanDerWaalsContact C-N 3.3Å; G112-K114 PolarHBondContact O-N 3.47Å; G112-E115 PolarHBondContact O-N 3.41Å; G112-L116 VanDerWaalsContact O-CB 3.29Å; G112-L116 WeakPolarHBondContact O-CB 3.32Å; G112-L116 PolarHBondContact O-N 3.08Å
113	A	89.5	Confident	88.4	Confident	59 Å²	59	100.1 Å²	100.1	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-32.2	175.2	0	0	0	0	0	113.1	M109 V111 K117	M109-A113 VanDerWaalsContact O-CB 3.26Å; M109-A113 WeakPolarHBondContact O-CB 3.36Å; M109-A113 PolarHBondContact O-N 2.85Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 2.63Å; A113-K117 VanDerWaalsContact O-CB 3.28Å; A113-K117 WeakPolarHBondContact O-CB 3.48Å; A113-K117 PolarHBondContact O-N 3.41Å; A113-K117 VanDerWaalsContact O-N 3.1Å
114	K	91.8	Very high	87.2	Confident	142 Å²	142	99 Å²	99	62%	0.617	52%	0.516	S	S	*	.	H	α-helix	trans	-71.8	-41.6	173.8	-175.8	-172.4	174.1	-168.5	0	111.2	K110 V111 G112 K117 M118	K110-K114 WeakPolarHBondContact O-CB 3.45Å; K110-K114 PolarHBondContact O-N 2.88Å; K110-K114 VanDerWaalsContact O-N 3.15Å; V111-K114 WeakPolarHBondContact O-CA 3.24Å; V111-K114 WeakPolarHBondContact O-CB 3.44Å; V111-K114 PolarHBondContact O-N 3.12Å; G112-K114 VanDerWaalsContact C-N 3.3Å; G112-K114 PolarHBondContact O-N 3.47Å; K114-K117 PolarHBondContact O-N 2.85Å; K114-M118 HydrophobicContact CG-CE 4.49Å; K114-M118 WeakPolarHBondContact O-CG 3.5Å; K114-M118 PolarHBondContact O-N 3.14Å
115	E	91.6	Very high	85.6	Confident	110 Å²	110	101.2 Å²	101.2	51%	0.514	52%	0.524	S	S	.	.	H	α-helix	trans	-65.4	-48.6	176.7	-72.1	175.4	174.8	0	0	111.4	V111 G112 K117 M118 E119	V111-E115 PolarHBondContact O-N 3.08Å; G112-E115 PolarHBondContact O-N 3.41Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.06Å; E115-M118 HydrophobicContact CB-CE 4.45Å; E115-M118 HydrophobicContact CG-CE 3.95Å; E115-M118 CarbonylContact O-C 3.58Å; E115-M118 WeakPolarHBondContact O-CA 3.33Å; E115-M118 WeakPolarHBondContact O-CB 3.45Å; E115-M118 PolarHBondContact O-N 3.02Å; E115-E119 PolarHBondContact O-N 2.9Å
116	L	86.9	Confident	84.3	Confident	113 Å²	113	103.3 Å²	103.3	59%	0.592	53%	0.532	S	S	*	.	H	α-helix	trans	-51.2	-47.3	170.8	-170	99.2	0	0	0	111.2	G112 M118 E119 M120	G112-L116 VanDerWaalsContact O-CB 3.29Å; G112-L116 WeakPolarHBondContact O-CB 3.32Å; G112-L116 PolarHBondContact O-N 3.08Å; L116-M118 VanDerWaalsContact C-N 3.26Å; L116-M118 PolarHBondContact O-N 3.06Å; L116-E119 PolarHBondContact O-N 3.37Å; L116-M120 HydrophobicContact CD2-SD 4.07Å; L116-M120 HydrophobicContact CG-CG 4.48Å; L116-M120 HydrophobicContact CG-SD 4.32Å; L116-M120 WeakPolarHBondContact O-CB 3.25Å; L116-M120 VanDerWaalsContact O-CG 3.27Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 3.46Å
117	K	87.5	Confident	82.9	Confident	141 Å²	141	102.6 Å²	102.6	61%	0.613	53%	0.53	S	S	*	.	H	α-helix	trans	-67.6	-21.7	177.6	-172.7	168.9	-173.7	169	0	114	A113 K114 E115 K121	A113-K117 VanDerWaalsContact O-CB 3.28Å; A113-K117 WeakPolarHBondContact O-CB 3.48Å; A113-K117 PolarHBondContact O-N 3.41Å; A113-K117 VanDerWaalsContact O-N 3.1Å; K114-K117 PolarHBondContact O-N 2.85Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.06Å; K117-K121 WeakPolarHBondContact O-CG 3.41Å
118	M	88.4	Confident	81.4	Confident	92 Å²	92	102.9 Å²	102.9	45%	0.453	53%	0.534	S	S	.	.	H	α-helix	trans	-80.7	-40.8	170.5	-70.1	-175.8	-59.2	0	0	110.8	K114 E115 L116 K121 K122	K114-M118 HydrophobicContact CG-CE 4.49Å; K114-M118 WeakPolarHBondContact O-CG 3.5Å; K114-M118 PolarHBondContact O-N 3.14Å; E115-M118 HydrophobicContact CB-CE 4.45Å; E115-M118 HydrophobicContact CG-CE 3.95Å; E115-M118 CarbonylContact O-C 3.58Å; E115-M118 WeakPolarHBondContact O-CA 3.33Å; E115-M118 WeakPolarHBondContact O-CB 3.45Å; E115-M118 PolarHBondContact O-N 3.02Å; L116-M118 VanDerWaalsContact C-N 3.26Å; L116-M118 PolarHBondContact O-N 3.06Å; M118-K121 WeakPolarHBondContact O-CB 3.46Å; M118-K121 PolarHBondContact O-N 3.35Å; M118-K121 VanDerWaalsContact O-N 3.15Å; M118-K122 PolarHBondContact O-N 3.4Å
119	E	83.9	Confident	79.9	Confident	100 Å²	100	107 Å²	107	47%	0.467	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-44.3	178.4	-145.5	59.9	-148.9	0	0	111.8	E115 L116 K121 K122 I123	E115-E119 PolarHBondContact O-N 2.9Å; L116-E119 PolarHBondContact O-N 3.37Å; E119-K121 PolarHBondContact O-N 3.03Å; E119-K122 WeakPolarHBondContact O-CA 3.48Å; E119-K122 WeakPolarHBondContact O-CB 3.24Å; E119-K122 PolarHBondContact O-N 2.93Å; E119-K122 WeakPolarHBondContact OE1-CD 3.43Å; E119-K122 IonicContact OE1-NZ 3.01Å; E119-K122 PolarHBondContact OE1-NZ 3.32Å; E119-K122 WeakPolarHBondContact OE2-CE 3.05Å; E119-K122 IonicContact OE2-NZ 2.64Å; E119-K122 PolarHBondContact OE2-NZ 3.15Å; E119-I123 PolarHBondContact O-N 3.44Å; E119-I123 VanDerWaalsContact O-N 3.1Å
120	M	77.3	Confident	78.9	Confident	125 Å²	125	105.6 Å²	105.6	62%	0.616	54%	0.538	S	S	*	.	H	α-helix	trans	-56.6	-20	172.1	-71.6	-178	82.1	0	0	114	L116	L116-M120 HydrophobicContact CD2-SD 4.07Å; L116-M120 HydrophobicContact CG-CG 4.48Å; L116-M120 HydrophobicContact CG-SD 4.32Å; L116-M120 WeakPolarHBondContact O-CB 3.25Å; L116-M120 VanDerWaalsContact O-CG 3.27Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 3.46Å
121	K	84.7	Confident	77.4	Confident	162 Å²	162	104.2 Å²	104.2	70%	0.704	54%	0.536	S	S	*	.	H	α-helix	trans	-89.1	-20.2	173.3	-72.3	177.3	175.1	-167.1	0	113.9	K117 M118 E119	K117-K121 WeakPolarHBondContact O-CG 3.41Å; M118-K121 WeakPolarHBondContact O-CB 3.46Å; M118-K121 PolarHBondContact O-N 3.35Å; M118-K121 VanDerWaalsContact O-N 3.15Å; E119-K121 PolarHBondContact O-N 3.03Å
122	K	82.4	Confident	76	Confident	130 Å²	130	107 Å²	107	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-83	-24.2	173.2	-61.4	-177.1	-159.5	155.9	0	111.9	M118 E119 N124	M118-K122 PolarHBondContact O-N 3.4Å; E119-K122 WeakPolarHBondContact O-CA 3.48Å; E119-K122 WeakPolarHBondContact O-CB 3.24Å; E119-K122 PolarHBondContact O-N 2.93Å; E119-K122 WeakPolarHBondContact OE1-CD 3.43Å; E119-K122 IonicContact OE1-NZ 3.01Å; E119-K122 PolarHBondContact OE1-NZ 3.32Å; E119-K122 WeakPolarHBondContact OE2-CE 3.05Å; E119-K122 IonicContact OE2-NZ 2.64Å; E119-K122 PolarHBondContact OE2-NZ 3.15Å; K122-N124 VanDerWaalsContact C-N 3.25Å; K122-N124 PolarHBondContact O-N 2.84Å
123	I	74.3	Confident	75.1	Confident	87 Å²	87	110.9 Å²	110.9	45%	0.446	56%	0.557	S	S	.	*	S	Bend	trans	-62.1	93.4	165.2	-59.1	175.7	0	0	0	107.1	E119 L125 V128	E119-I123 PolarHBondContact O-N 3.44Å; E119-I123 VanDerWaalsContact O-N 3.1Å; I123-L125 PolarHBondContact O-N 3.12Å; I123-V128 HydrophobicContact CG2-CG2 3.38Å
124	N	66	Low	74.1	Confident	100 Å²	100	113.2 Å²	113.2	54%	0.535	56%	0.561	S	S	.	*			trans	-62.9	129.2	169.1	-60.9	-61.8	0	0	0	107.2	K122 N126 S127 V128	K122-N124 VanDerWaalsContact C-N 3.25Å; K122-N124 PolarHBondContact O-N 2.84Å; N124-N126 PolarHBondContact O-N 3.44Å; N124-N126 VanDerWaalsContact O-N 3.15Å; N124-S127 WeakPolarHBondContact O-CA 3.13Å; N124-S127 WeakPolarHBondContact O-CB 2.91Å; N124-S127 PolarHBondContact O-N 3.41Å; N124-V128 PolarHBondContact O-N 3.4Å
125	L	62.5	Low	72.6	Confident	143 Å²	143	110.7 Å²	110.7	75%	0.749	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-29.9	175.2	-91.5	86	0	0	0	112.2	I123 S127 V128 E129	I123-L125 PolarHBondContact O-N 3.12Å; L125-S127 PolarHBondContact O-N 3.45Å; L125-V128 WeakPolarHBondContact O-CA 3.38Å; L125-V128 VanDerWaalsContact O-CB 3.28Å; L125-V128 WeakPolarHBondContact O-CB 3.48Å; L125-V128 PolarHBondContact O-N 2.9Å; L125-E129 PolarHBondContact O-N 2.96Å
126	N	63.9	Low	71.6	Confident	126 Å²	126	107.7 Å²	107.7	67%	0.674	55%	0.548	S	S	*	.	H	α-helix	trans	-60.4	-36.7	173.9	-55	14.5	0	0	0	111.7	N124 V128 E129	N124-N126 PolarHBondContact O-N 3.44Å; N124-N126 VanDerWaalsContact O-N 3.15Å; N126-V128 VanDerWaalsContact C-N 3.25Å; N126-V128 PolarHBondContact O-N 2.89Å; N126-E129 PolarHBondContact O-N 3.31Å
127	S	61.1	Low	70.9	Confident	48 Å²	48	107.6 Å²	107.6	34%	0.336	55%	0.548	S	S	.	.	H	α-helix	trans	-80.5	-3.8	173.9	-54.1	0	0	0	0	113	N124 L125 L131	N124-S127 WeakPolarHBondContact O-CA 3.13Å; N124-S127 WeakPolarHBondContact O-CB 2.91Å; N124-S127 PolarHBondContact O-N 3.41Å; L125-S127 PolarHBondContact O-N 3.45Å; S127-L131 VanDerWaalsContact O-CB 3.28Å; S127-L131 WeakPolarHBondContact O-CB 3.43Å; S127-L131 PolarHBondContact O-N 3.06Å
128	V	61.4	Low	69.8	Low	59 Å²	59	106.1 Å²	106.1	36%	0.358	55%	0.546	S	S	.	.	H	α-helix	trans	-83.7	-25.7	170.4	179.9	0	0	0	0	110.8	I123 N124 L125 N126 Q132	I123-V128 HydrophobicContact CG2-CG2 3.38Å; N124-V128 PolarHBondContact O-N 3.4Å; L125-V128 WeakPolarHBondContact O-CA 3.38Å; L125-V128 VanDerWaalsContact O-CB 3.28Å; L125-V128 WeakPolarHBondContact O-CB 3.48Å; L125-V128 PolarHBondContact O-N 2.9Å; N126-V128 VanDerWaalsContact C-N 3.25Å; N126-V128 PolarHBondContact O-N 2.89Å; V128-Q132 WeakPolarHBondContact O-CB 3.36Å; V128-Q132 PolarHBondContact O-N 3.39Å
129	E	61.2	Low	68.7	Low	143 Å²	143	105.6 Å²	105.6	67%	0.668	55%	0.545	S	S	*	.	H	α-helix	trans	-67.6	-51.3	166.5	-65.8	178.7	168.3	0	0	109.1	L125 N126 L131 Q132 D133	L125-E129 PolarHBondContact O-N 2.96Å; N126-E129 PolarHBondContact O-N 3.31Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3.32Å; E129-Q132 PolarHBondContact O-N 3.03Å; E129-D133 PolarHBondContact O-N 3.49Å
130	D	66.8	Low	68	Low	100 Å²	100	105.7 Å²	105.7	54%	0.535	55%	0.552	S	S	.	*	H	α-helix	trans	-54	-45	171.9	-57.9	-35.6	0	0	0	111.9	Q132 D133 D134	D130-Q132 VanDerWaalsContact C-N 3.31Å; D130-Q132 PolarHBondContact O-N 3.44Å; D130-D133 PolarHBondContact O-N 3.32Å; D130-D134 WeakPolarHBondContact O-CB 3.46Å; D130-D134 PolarHBondContact O-N 3.18Å
131	L	61.1	Low	67.5	Low	95 Å²	95	102.3 Å²	102.3	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-68.5	-25.2	176.6	-115.7	161.5	0	0	0	113.6	S127 E129 L135	S127-L131 VanDerWaalsContact O-CB 3.28Å; S127-L131 WeakPolarHBondContact O-CB 3.43Å; S127-L131 PolarHBondContact O-N 3.06Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3.32Å; L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 PolarHBondContact O-N 3.05Å
132	Q	62.6	Low	66.4	Low	138 Å²	138	97.4 Å²	97.4	65%	0.645	52%	0.524	S	S	*	.	H	α-helix	trans	-78.4	-35.5	178.8	-179.8	161.1	88.9	0	0	110.5	V128 E129 D130 A136	V128-Q132 WeakPolarHBondContact O-CB 3.36Å; V128-Q132 PolarHBondContact O-N 3.39Å; E129-Q132 PolarHBondContact O-N 3.03Å; D130-Q132 VanDerWaalsContact C-N 3.31Å; D130-Q132 PolarHBondContact O-N 3.44Å; Q132-A136 WeakPolarHBondContact O-CB 3.34Å; Q132-A136 PolarHBondContact O-N 3.33Å
133	D	71.4	Confident	65.7	Low	116 Å²	116	96.6 Å²	96.6	62%	0.62	53%	0.526	S	S	*	.	H	α-helix	trans	-68.6	-49.6	169.3	-71.7	-13	0	0	0	110.7	E129 D130 L135 A136 D137	E129-D133 PolarHBondContact O-N 3.49Å; D130-D133 PolarHBondContact O-N 3.32Å; D133-L135 VanDerWaalsContact C-N 3.26Å; D133-L135 PolarHBondContact O-N 2.79Å; D133-A136 WeakPolarHBondContact O-CB 3.45Å; D133-A136 PolarHBondContact O-N 3.45Å; D133-A136 VanDerWaalsContact O-N 3.13Å; D133-D137 PolarHBondContact O-N 3.37Å
134	D	70.1	Confident	65.4	Low	108 Å²	108	98.6 Å²	98.6	58%	0.578	53%	0.534	S	S	*	.	H	α-helix	trans	-57.6	-36.8	174.5	-83	-16.2	0	0	0	112.2	D130 L138	D130-D134 WeakPolarHBondContact O-CB 3.46Å; D130-D134 PolarHBondContact O-N 3.18Å; D134-L138 VanDerWaalsContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CB 3.48Å; D134-L138 PolarHBondContact O-N 2.93Å
135	L	60	Low	65	Low	88 Å²	88	98.2 Å²	98.2	46%	0.461	53%	0.531	S	S	.	.	H	α-helix	trans	-80.3	-25.8	179.7	-168.4	147.3	0	0	0	112.2	L131 D133 L139	L131-L135 WeakPolarHBondContact O-CB 3.48Å; L131-L135 PolarHBondContact O-N 3.05Å; D133-L135 VanDerWaalsContact C-N 3.26Å; D133-L135 PolarHBondContact O-N 2.79Å; L135-L139 HydrophobicContact CD2-CD1 3.67Å; L135-L139 HydrophobicContact CD2-CG 4.05Å; L135-L139 VanDerWaalsContact O-CB 3.3Å; L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.49Å; L135-L139 PolarHBondContact O-N 3Å
136	A	71	Confident	64.8	Low	47 Å²	47	97.1 Å²	97.1	39%	0.388	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-47.5	166.6	0	0	0	0	0	110.6	Q132 D133 L138 L139 V140	Q132-A136 WeakPolarHBondContact O-CB 3.34Å; Q132-A136 PolarHBondContact O-N 3.33Å; D133-A136 WeakPolarHBondContact O-CB 3.45Å; D133-A136 PolarHBondContact O-N 3.45Å; D133-A136 VanDerWaalsContact O-N 3.13Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 2.94Å; A136-L139 PolarHBondContact O-N 3.4Å; A136-V140 WeakPolarHBondContact O-CG2 3.4Å; A136-V140 PolarHBondContact O-N 2.94Å
137	D	72.2	Confident	64.9	Low	111 Å²	111	96.7 Å²	96.7	59%	0.594	52%	0.52	S	S	*	.	H	α-helix	trans	-63.5	-38.1	175	-81.7	-2.2	0	0	0	111.9	D133 S141	D133-D137 PolarHBondContact O-N 3.37Å; D137-S141 VanDerWaalsContact O-CB 3.31Å; D137-S141 WeakPolarHBondContact O-CB 3.29Å; D137-S141 PolarHBondContact O-N 3.11Å; D137-S141 PolarHBondContact O-OG 2.9Å
138	L	64.2	Low	65	Low	111 Å²	111	98.7 Å²	98.7	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-69	-36.9	174.4	-165.4	88.5	0	0	0	112.1	D134 A136 S141 T142	D134-L138 VanDerWaalsContact O-CB 3.23Å; D134-L138 WeakPolarHBondContact O-CB 3.48Å; D134-L138 PolarHBondContact O-N 2.93Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 2.94Å; L138-S141 CarbonylContact O-C 3.57Å; L138-S141 PolarHBondContact O-N 3.04Å; L138-T142 WeakPolarHBondContact O-CA 3.14Å; L138-T142 WeakPolarHBondContact O-CB 3.45Å; L138-T142 PolarHBondContact O-N 3.24Å; L138-T142 PolarHBondContact O-OG1 3.14Å
139	L	64.9	Low	64.6	Low	81 Å²	81	100 Å²	100	42%	0.424	53%	0.53	S	S	.	.	H	α-helix	trans	-67.9	-40.7	175.7	-79.9	174.3	0	0	0	111.4	L135 A136 S141 T142 D143	L135-L139 HydrophobicContact CD2-CD1 3.67Å; L135-L139 HydrophobicContact CD2-CG 4.05Å; L135-L139 VanDerWaalsContact O-CB 3.3Å; L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.49Å; L135-L139 PolarHBondContact O-N 3Å; A136-L139 PolarHBondContact O-N 3.4Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-T142 CarbonylContact O-C 3.54Å; L139-T142 PolarHBondContact O-N 3.28Å; L139-T142 VanDerWaalsContact O-N 3.12Å; L139-D143 PolarHBondContact O-N 3.41Å
140	V	69.8	Low	64.6	Low	101 Å²	101	98.1 Å²	98.1	61%	0.612	53%	0.533	S	S	*	.	H	α-helix	trans	-60.6	-44.6	170.7	172.5	0	0	0	0	110.6	A136 T142 D143 E144	A136-V140 WeakPolarHBondContact O-CG2 3.4Å; A136-V140 PolarHBondContact O-N 2.94Å; V140-T142 VanDerWaalsContact C-N 3.25Å; V140-T142 PolarHBondContact O-N 3.21Å; V140-D143 PolarHBondContact O-N 3.22Å; V140-E144 PolarHBondContact O-N 2.84Å
141	S	66.3	Low	64.2	Low	55 Å²	55	101 Å²	101	39%	0.385	54%	0.543	S	S	.	.	H	α-helix	trans	-65.8	-27.1	174.6	-56.5	0	0	0	0	113	D137 L138 L139 L145	D137-S141 VanDerWaalsContact O-CB 3.31Å; D137-S141 WeakPolarHBondContact O-CB 3.29Å; D137-S141 PolarHBondContact O-N 3.11Å; D137-S141 PolarHBondContact O-OG 2.9Å; L138-S141 CarbonylContact O-C 3.57Å; L138-S141 PolarHBondContact O-N 3.04Å; L139-S141 VanDerWaalsContact C-N 3.33Å; S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.35Å; S141-L145 PolarHBondContact O-N 3.09Å
142	T	60.6	Low	63.9	Low	58 Å²	58	100.8 Å²	100.8	36%	0.356	55%	0.55	S	S	.	.	H	α-helix	trans	-80.8	-36.8	178.6	-61.6	0	0	0	0	110.7	L138 L139 V140 E144 L145 Q146	L138-T142 WeakPolarHBondContact O-CA 3.14Å; L138-T142 WeakPolarHBondContact O-CB 3.45Å; L138-T142 PolarHBondContact O-N 3.24Å; L138-T142 PolarHBondContact O-OG1 3.14Å; L139-T142 CarbonylContact O-C 3.54Å; L139-T142 PolarHBondContact O-N 3.28Å; L139-T142 VanDerWaalsContact O-N 3.12Å; V140-T142 VanDerWaalsContact C-N 3.25Å; V140-T142 PolarHBondContact O-N 3.21Å; T142-E144 VanDerWaalsContact C-N 3.29Å; T142-L145 PolarHBondContact O-N 3.33Å; T142-Q146 WeakPolarHBondContact O-CA 3.48Å; T142-Q146 WeakPolarHBondContact O-CB 3.43Å; T142-Q146 PolarHBondContact O-N 3.12Å
143	D	67	Low	63	Low	113 Å²	113	103.7 Å²	103.7	60%	0.604	56%	0.556	S	S	*	*	H	α-helix	trans	-62.5	-39.7	167.2	-94.8	-10.2	0	0	0	110.3	L139 V140 N147	L139-D143 PolarHBondContact O-N 3.41Å; V140-D143 PolarHBondContact O-N 3.22Å; D143-N147 WeakPolarHBondContact O-CB 3.37Å; D143-N147 PolarHBondContact O-N 3.45Å; D143-N147 PolarHBondContact O-ND2 3.01Å
144	E	69.8	Low	62.2	Low	130 Å²	130	103 Å²	103	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-65.2	-43.9	173.2	-166.1	170.3	-158.8	0	0	111.9	V140 T142 N147 I148	V140-E144 PolarHBondContact O-N 2.84Å; T142-E144 VanDerWaalsContact C-N 3.29Å; E144-N147 PolarHBondContact O-N 2.75Å; E144-I148 HydrophobicContact CG-CD1 4.03Å; E144-I148 WeakPolarHBondContact O-CD1 3.48Å; E144-I148 VanDerWaalsContact O-CG1 3.22Å; E144-I148 WeakPolarHBondContact O-CG1 3.46Å; E144-I148 PolarHBondContact O-N 3.45Å
145	L	56.7	Low	61.6	Low	92 Å²	92	103.3 Å²	103.3	48%	0.482	57%	0.572	S	S	.	*	H	α-helix	trans	-68.3	-37.4	176.2	-102.6	169.9	0	0	0	113.6	S141 T142 N147 I148 L149	S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.35Å; S141-L145 PolarHBondContact O-N 3.09Å; T142-L145 PolarHBondContact O-N 3.33Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-I148 PolarHBondContact O-N 2.9Å; L145-L149 HydrophobicContact CD2-CD1 4.1Å; L145-L149 HydrophobicContact CD2-CG 4.22Å; L145-L149 VanDerWaalsContact O-CB 3.23Å; L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 VanDerWaalsContact O-CG 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.88Å
146	Q	58.1	Low	61.2	Low	120 Å²	120	104.4 Å²	104.4	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-65.5	-41.6	175.4	-169.7	82.6	-8.4	0	0	108.8	T142 S150	T142-Q146 WeakPolarHBondContact O-CA 3.48Å; T142-Q146 WeakPolarHBondContact O-CB 3.43Å; T142-Q146 PolarHBondContact O-N 3.12Å; Q146-S150 WeakPolarHBondContact O-CA 3.45Å; Q146-S150 WeakPolarHBondContact O-CB 3.3Å; Q146-S150 PolarHBondContact O-N 3.01Å
147	N	65.5	Low	60.6	Low	116 Å²	116	110 Å²	110	62%	0.62	61%	0.608	S	S	*	*	H	α-helix	trans	-61.1	-45.5	170.4	-79.6	-59.6	0	0	0	111.6	D143 E144 L145 Q151	D143-N147 WeakPolarHBondContact O-CB 3.37Å; D143-N147 PolarHBondContact O-N 3.45Å; D143-N147 PolarHBondContact O-ND2 3.01Å; E144-N147 PolarHBondContact O-N 2.75Å; L145-N147 VanDerWaalsContact C-N 3.33Å; N147-Q151 VanDerWaalsContact O-CB 3.31Å; N147-Q151 WeakPolarHBondContact O-CB 3.37Å; N147-Q151 PolarHBondContact O-N 3.38Å; N147-Q151 VanDerWaalsContact O-N 3.11Å
148	I	63.2	Low	60.2	Low	91 Å²	91	111 Å²	111	47%	0.467	61%	0.612	S	S	.	*	H	α-helix	trans	-66.5	-41	179	-70	162.5	0	0	0	112.8	E144 L145 Q151	E144-I148 HydrophobicContact CG-CD1 4.03Å; E144-I148 WeakPolarHBondContact O-CD1 3.48Å; E144-I148 VanDerWaalsContact O-CG1 3.22Å; E144-I148 WeakPolarHBondContact O-CG1 3.46Å; E144-I148 PolarHBondContact O-N 3.45Å; L145-I148 PolarHBondContact O-N 2.9Å; I148-Q151 WeakPolarHBondContact O-CB 3.48Å; I148-Q151 PolarHBondContact O-N 3.23Å
149	L	54	Low	60.4	Low	87 Å²	87	109.1 Å²	109.1	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-78.3	-40.8	-177.7	-73.2	168.4	0	0	0	111.9	L145 Q151 S152 Y153	L145-L149 HydrophobicContact CD2-CD1 4.1Å; L145-L149 HydrophobicContact CD2-CG 4.22Å; L145-L149 VanDerWaalsContact O-CB 3.23Å; L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 VanDerWaalsContact O-CG 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.88Å; L149-Q151 PolarHBondContact O-N 2.85Å; L149-S152 CarbonylContact O-C 3.54Å; L149-S152 PolarHBondContact O-N 3.45Å; L149-Y153 HydrophobicContact CD2-CD2 4.44Å; L149-Y153 HydrophobicContact CD2-CE2 4.33Å; L149-Y153 PolarHBondContact O-N 2.76Å
150	S	61.4	Low	60.7	Low	102 Å²	102	112.3 Å²	112.3	71%	0.713	62%	0.615	S	S	*	*	H	α-helix	trans	-62.8	-26	171.9	-168.2	0	0	0	0	111.5	Q146 S152	Q146-S150 WeakPolarHBondContact O-CA 3.45Å; Q146-S150 WeakPolarHBondContact O-CB 3.3Å; Q146-S150 PolarHBondContact O-N 3.01Å; S150-S152 PolarHBondContact O-N 3.14Å
151	Q	59.1	Low	61.1	Low	162 Å²	162	112.6 Å²	112.6	76%	0.757	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-14.4	172.1	-156.5	163.6	31.2	0	0	113.8	N147 I148 L149	N147-Q151 VanDerWaalsContact O-CB 3.31Å; N147-Q151 WeakPolarHBondContact O-CB 3.37Å; N147-Q151 PolarHBondContact O-N 3.38Å; N147-Q151 VanDerWaalsContact O-N 3.11Å; I148-Q151 WeakPolarHBondContact O-CB 3.48Å; I148-Q151 PolarHBondContact O-N 3.23Å; L149-Q151 PolarHBondContact O-N 2.85Å
152	S	53.6	Low	61.8	Low	90 Å²	90	114.9 Å²	114.9	63%	0.629	62%	0.621	S	S	*	*	S	Bend	trans	-158	41.7	-173.6	-147.8	0	0	0	0	118.6	L149 S150	L149-S152 CarbonylContact O-C 3.54Å; L149-S152 PolarHBondContact O-N 3.45Å; S150-S152 PolarHBondContact O-N 3.14Å
153	Y	44	Very low	62.8	Low	199 Å²	199	116.7 Å²	116.7	78%	0.78	63%	0.628	S	S	*	*			trans	-134	73	153.9	-80.2	-74.2	0	0	0	112.2	L149 T155	L149-Y153 HydrophobicContact CD2-CD2 4.44Å; L149-Y153 HydrophobicContact CD2-CE2 4.33Å; L149-Y153 PolarHBondContact O-N 2.76Å; Y153-T155 PolarHBondContact O-N 2.84Å; Y153-T155 VanDerWaalsContact O-N 3.1Å
154	A	54.7	Low	63.5	Low	100 Å²	100	116.5 Å²	116.5	83%	0.826	62%	0.623	S	S	*	*			trans	-63	108.2	158.9	0	0	0	0	0	108.5
155	T	57.8	Low	64.1	Low	115 Å²	115	117.7 Å²	117.7	71%	0.706	63%	0.629	S	S	*	*			trans	-56.2	133.6	166.7	42.9	0	0	0	0	108.8	Y153 D157	Y153-T155 PolarHBondContact O-N 2.84Å; Y153-T155 VanDerWaalsContact O-N 3.1Å; T155-D157 PolarHBondContact O-N 2.88Å
156	P	51.3	Low	65.4	Low	112 Å²	112	119.8 Å²	119.8	73%	0.727	64%	0.636	S	S	*	*			trans	-57.7	130.4	171.7	-19.3	31.1	0	0	0	108.8	I158	P156-I158 PolarHBondContact O-N 3.17Å
157	D	58.7	Low	66.4	Low	164 Å²	164	119.2 Å²	119.2	88%	0.877	64%	0.637	S	S	*	*			trans	-60.9	103	176.6	-69.4	-48.5	0	0	0	109.2	T155 N159	T155-D157 PolarHBondContact O-N 2.88Å; D157-N159 PolarHBondContact O-N 3.45Å
158	I	64.1	Low	67	Low	133 Å²	133	120.2 Å²	120.2	68%	0.682	64%	0.639	S	S	*	*			trans	-73.8	118.2	172.9	-64.3	172.8	0	0	0	106.6	P156 E160 L163	P156-I158 PolarHBondContact O-N 3.17Å; I158-E160 PolarHBondContact O-N 2.82Å; I158-L163 HydrophobicContact CG2-CD1 3.95Å; I158-L163 HydrophobicContact CG2-CG 4.12Å
159	N	66.9	Low	67.8	Low	71 Å²	71	117.9 Å²	117.9	38%	0.38	64%	0.638	S	S	.	*			trans	-66	117.5	-178.5	-179.7	19.4	0	0	0	110.3	D157 N161 D162	D157-N159 PolarHBondContact O-N 3.45Å; N159-N161 PolarHBondContact O-N 3.32Å; N159-N161 VanDerWaalsContact O-N 3.15Å; N159-N161 PolarHBondContact OD1-N 3.24Å; N159-N161 PolarHBondContact OD1-ND2 3.18Å; N159-D162 HydrophobicContact CB-CB 4.43Å; N159-D162 PolarHBondContact ND2-OD1 2.95Å; N159-D162 WeakPolarHBondContact O-CB 3.36Å; N159-D162 PolarHBondContact O-N 2.99Å
160	E	71.5	Confident	68.8	Low	148 Å²	148	118.5 Å²	118.5	69%	0.692	64%	0.641	S	S	*	*	H	α-helix	trans	-55.5	-32.7	179.7	-157.7	164.6	-149.9	0	0	112	I158 D162 L163 E164	I158-E160 PolarHBondContact O-N 2.82Å; E160-D162 VanDerWaalsContact C-N 3.33Å; E160-D162 PolarHBondContact O-N 3.34Å; E160-L163 PolarHBondContact O-N 3.2Å; E160-E164 WeakPolarHBondContact O-CG 3.33Å; E160-E164 PolarHBondContact O-N 2.96Å
161	N	78	Confident	69.1	Low	106 Å²	106	117.6 Å²	117.6	57%	0.567	63%	0.633	S	S	*	*	H	α-helix	trans	-65.9	-30.1	175.9	-58.7	-93.4	0	0	0	113.7	N159 Q165	N159-N161 PolarHBondContact O-N 3.32Å; N159-N161 VanDerWaalsContact O-N 3.15Å; N159-N161 PolarHBondContact OD1-N 3.24Å; N159-N161 PolarHBondContact OD1-ND2 3.18Å; N161-Q165 WeakPolarHBondContact O-CB 3.46Å; N161-Q165 PolarHBondContact O-N 3.47Å
162	D	82.3	Confident	69.6	Low	104 Å²	104	116.8 Å²	116.8	56%	0.556	63%	0.634	S	S	*	*	H	α-helix	trans	-73.5	-39.6	179.4	-63	-0.5	0	0	0	109.4	N159 E160 Q165 E166	N159-D162 HydrophobicContact CB-CB 4.43Å; N159-D162 PolarHBondContact ND2-OD1 2.95Å; N159-D162 WeakPolarHBondContact O-CB 3.36Å; N159-D162 PolarHBondContact O-N 2.99Å; E160-D162 VanDerWaalsContact C-N 3.33Å; E160-D162 PolarHBondContact O-N 3.34Å; D162-Q165 PolarHBondContact O-N 3.44Å; D162-E166 PolarHBondContact O-N 3.02Å
163	L	81.3	Confident	70.4	Confident	95 Å²	95	120.5 Å²	120.5	50%	0.497	64%	0.642	S	S	.	*	H	α-helix	trans	-64.1	-43.3	172.2	-71.3	170.2	0	0	0	112	I158 E160 Q165 E166 L167	I158-L163 HydrophobicContact CG2-CD1 3.95Å; I158-L163 HydrophobicContact CG2-CG 4.12Å; E160-L163 PolarHBondContact O-N 3.2Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.34Å; L163-E166 PolarHBondContact O-N 2.9Å; L163-L167 VanDerWaalsContact O-CB 3.25Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.13Å
164	E	81.8	Confident	71.3	Confident	109 Å²	109	117.9 Å²	117.9	51%	0.509	64%	0.64	S	S	.	*	H	α-helix	trans	-61.7	-38.9	175.4	-75.7	-172	172.8	0	0	112.1	E160 L167 M168	E160-E164 WeakPolarHBondContact O-CG 3.33Å; E160-E164 PolarHBondContact O-N 2.96Å; E164-L167 PolarHBondContact O-N 3.34Å; E164-M168 WeakPolarHBondContact O-CG 3.35Å; E164-M168 PolarHBondContact O-N 2.88Å
165	Q	82.7	Confident	71.4	Confident	156 Å²	156	115.3 Å²	115.3	73%	0.729	62%	0.624	S	S	*	*	H	α-helix	trans	-69.8	-39.4	178.4	-172.3	168.1	101.6	0	0	112.4	N161 D162 L163 G169	N161-Q165 WeakPolarHBondContact O-CB 3.46Å; N161-Q165 PolarHBondContact O-N 3.47Å; D162-Q165 PolarHBondContact O-N 3.44Å; L163-Q165 VanDerWaalsContact C-N 3.31Å; L163-Q165 PolarHBondContact O-N 3.34Å; Q165-G169 PolarHBondContact O-N 3.4Å; Q165-G169 VanDerWaalsContact O-N 3.12Å
166	E	83.5	Confident	71.4	Confident	135 Å²	135	115.3 Å²	115.3	63%	0.631	63%	0.629	S	S	*	*	H	α-helix	trans	-65.6	-40.7	172.9	-169.4	171.3	-155.9	0	0	111.5	D162 L163 G169 L170	D162-E166 PolarHBondContact O-N 3.02Å; L163-E166 PolarHBondContact O-N 2.9Å; E166-G169 PolarHBondContact O-N 3.44Å; E166-L170 PolarHBondContact O-N 2.87Å; E166-L170 VanDerWaalsContact O-N 3.12Å
167	L	79.6	Confident	71.5	Confident	109 Å²	109	115.1 Å²	115.1	57%	0.571	62%	0.622	S	S	*	*	H	α-helix	trans	-64	-41.8	175.9	-175.3	65.5	0	0	0	112.6	L163 E164 L170 C171	L163-L167 VanDerWaalsContact O-CB 3.25Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.13Å; E164-L167 PolarHBondContact O-N 3.34Å; L167-L170 PolarHBondContact O-N 3.39Å; L167-C171 PolarHBondContact O-N 3.36Å; L167-C171 PolarHBondContact O-SG 3.2Å
168	M	78.4	Confident	71.4	Confident	136 Å²	136	111.1 Å²	111.1	67%	0.67	60%	0.603	S	S	*	*	H	α-helix	trans	-63.9	-40.3	174.6	-77.6	-166.1	177.8	0	0	112.1	E164 L170 C171 D172	E164-M168 WeakPolarHBondContact O-CG 3.35Å; E164-M168 PolarHBondContact O-N 2.88Å; M168-L170 VanDerWaalsContact C-N 3.34Å; M168-L170 PolarHBondContact O-N 3.06Å; M168-C171 PolarHBondContact O-N 2.86Å; M168-D172 PolarHBondContact O-N 2.93Å
169	G	78.6	Confident	70.8	Confident	42 Å²	42	108.9 Å²	108.9	43%	0.433	60%	0.596	S	S	.	*	H	α-helix	trans	-59.4	-42.8	175.6	0	0	0	0	0	112.9	Q165 E166 D172 E173	Q165-G169 PolarHBondContact O-N 3.4Å; Q165-G169 VanDerWaalsContact O-N 3.12Å; E166-G169 PolarHBondContact O-N 3.44Å; G169-D172 PolarHBondContact O-N 3.42Å; G169-E173 PolarHBondContact O-N 3.42Å; G169-E173 VanDerWaalsContact O-N 3.14Å
170	L	75.7	Confident	70.4	Confident	101 Å²	101	115.9 Å²	115.9	53%	0.529	62%	0.619	S	S	.	*	H	α-helix	trans	-64.1	-39.4	173.8	-78.9	165.1	0	0	0	112.8	E166 L167 M168 E173 L174	E166-L170 PolarHBondContact O-N 2.87Å; E166-L170 VanDerWaalsContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 3.39Å; M168-L170 VanDerWaalsContact C-N 3.34Å; M168-L170 PolarHBondContact O-N 3.06Å; L170-E173 PolarHBondContact O-N 3.36Å; L170-L174 WeakPolarHBondContact O-CB 3.18Å; L170-L174 PolarHBondContact O-N 3.37Å
171	C	66.8	Low	69.8	Low	82 Å²	82	115.1 Å²	115.1	55%	0.554	62%	0.619	S	S	*	*	H	α-helix	trans	-65.3	-39	177	-76.9	0	0	0	0	113	L167 M168 L174 G175	L167-C171 PolarHBondContact O-N 3.36Å; L167-C171 PolarHBondContact O-SG 3.2Å; M168-C171 PolarHBondContact O-N 2.86Å; C171-L174 PolarHBondContact O-N 2.86Å; C171-G175 PolarHBondContact O-N 2.93Å
172	D	70.8	Confident	68.2	Low	145 Å²	145	116 Å²	116	78%	0.775	62%	0.623	S	S	*	*	H	α-helix	trans	-67.3	-37.8	175.1	-87	-4.2	0	0	0	111.8	M168 G169 L174 G175	M168-D172 PolarHBondContact O-N 2.93Å; G169-D172 PolarHBondContact O-N 3.42Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 PolarHBondContact O-N 2.92Å; D172-G175 PolarHBondContact O-N 2.95Å
173	E	70.8	Confident	66.7	Low	168 Å²	168	119.7 Å²	119.7	79%	0.785	64%	0.637	S	S	*	*	H	α-helix	trans	-64.9	-34.9	173.1	-173.5	173.1	175.4	0	0	112.2	G169 L170 G175	G169-E173 PolarHBondContact O-N 3.42Å; G169-E173 VanDerWaalsContact O-N 3.14Å; L170-E173 PolarHBondContact O-N 3.36Å; E173-G175 PolarHBondContact O-N 3.03Å
174	L	62.5	Low	65.1	Low	144 Å²	144	122.7 Å²	122.7	75%	0.754	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-4.4	-179.1	-147.8	72.5	0	0	0	114.4	L170 C171 D172 S176	L170-L174 WeakPolarHBondContact O-CB 3.18Å; L170-L174 PolarHBondContact O-N 3.37Å; C171-L174 PolarHBondContact O-N 2.86Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 PolarHBondContact O-N 2.92Å; L174-S176 PolarHBondContact O-N 2.7Å
175	G	55.8	Low	63.3	Low	47 Å²	47	127.2 Å²	127.2	49%	0.485	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	58.9	47.4	149.9	0	0	0	0	0	118.2	C171 D172 E173 D177	C171-G175 PolarHBondContact O-N 2.93Å; D172-G175 PolarHBondContact O-N 2.95Å; E173-G175 PolarHBondContact O-N 3.03Å; G175-D177 PolarHBondContact O-N 3.23Å
176	S	58.1	Low	61.4	Low	115 Å²	115	127.3 Å²	127.3	80%	0.804	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.4	-2.8	166.8	85.1	0	0	0	0	120.6	L174 T178	L174-S176 PolarHBondContact O-N 2.7Å; S176-T178 PolarHBondContact O-N 3.32Å
177	D	52.7	Low	59.6	Low	107 Å²	107	125 Å²	125	57%	0.572	68%	0.682	S	S	*	*			trans	-85.4	55.8	176.8	-148.4	-23.3	0	0	0	110.4	G175 T179	G175-D177 PolarHBondContact O-N 3.23Å; D177-T179 PolarHBondContact O-N 3.42Å; D177-T179 PolarHBondContact O-OG1 3.17Å; D177-T179 VanDerWaalsContact OD1-CG2 3.24Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.46Å; D177-T179 PolarHBondContact OD1-OG1 3.3Å
178	T	57.3	Low	57.9	Low	80 Å²	80	125.3 Å²	125.3	49%	0.491	69%	0.69	S	S	.	*	G	3₁₀ helix	trans	-74.8	30.7	176.3	54	0	0	0	0	112.2	S176 Y180 L181	S176-T178 PolarHBondContact O-N 3.32Å; T178-Y180 PolarHBondContact O-N 3.47Å; T178-Y180 VanDerWaalsContact O-N 3.12Å; T178-L181 HydrophobicContact CG2-CD1 3.96Å; T178-L181 PolarHBondContact O-N 3.43Å
179	T	52.6	Low	56.4	Low	87 Å²	87	124.4 Å²	124.4	53%	0.534	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-58.5	-21.6	170.7	42.7	0	0	0	0	112.3	D177 L181 N182	D177-T179 PolarHBondContact O-N 3.42Å; D177-T179 PolarHBondContact O-OG1 3.17Å; D177-T179 VanDerWaalsContact OD1-CG2 3.24Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.46Å; D177-T179 PolarHBondContact OD1-OG1 3.3Å; T179-L181 VanDerWaalsContact C-N 3.3Å; T179-L181 PolarHBondContact O-N 2.9Å; T179-N182 PolarHBondContact O-ND2 3.33Å
180	Y	57.4	Low	54.8	Low	218 Å²	218	128.1 Å²	128.1	86%	0.855	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-70.5	-12.4	168.8	-63.7	-77.4	0	0	0	115.5	T178	T178-Y180 PolarHBondContact O-N 3.47Å; T178-Y180 VanDerWaalsContact O-N 3.12Å
181	L	59.4	Low	53.4	Low	132 Å²	132	129.3 Å²	129.3	69%	0.691	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-104	11.7	-178.4	-60.6	-175.3	0	0	0	114	T178 T179 E183	T178-L181 HydrophobicContact CG2-CD1 3.96Å; T178-L181 PolarHBondContact O-N 3.43Å; T179-L181 VanDerWaalsContact C-N 3.3Å; T179-L181 PolarHBondContact O-N 2.9Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.99Å
182	N	43.3	Very low	52.4	Low	125 Å²	125	132.4 Å²	132.4	67%	0.668	74%	0.741	S	S	*	*	S	Bend	trans	-74.6	83.3	178.4	-73.8	-42.1	0	0	0	112.7	T179 D184	T179-N182 PolarHBondContact O-ND2 3.33Å; N182-D184 PolarHBondContact O-N 3.38Å
183	E	52.5	Low	50.9	Low	181 Å²	181	128.4 Å²	128.4	85%	0.846	74%	0.735	S	S	*	*	S	Bend	trans	62.1	38.3	141	-55.3	-158.3	151.3	0	0	121.2	L181	L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.99Å
184	D	46.9	Very low	49.3	Very low	157 Å²	157	128 Å²	128	84%	0.84	74%	0.737	S	S	*	*			trans	-143.9	4.1	159.6	-107.7	-31.6	0	0	0	116.1	N182 N186	N182-D184 PolarHBondContact O-N 3.38Å; D184-N186 PolarHBondContact O-N 3.15Å
185	F	43.1	Very low	48.1	Very low	205 Å²	205	127.6 Å²	127.6	90%	0.899	74%	0.743	S	S	*	*			trans	-100.2	78.6	169.5	-83.2	-82.8	0	0	0	111.7	A187	F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.35Å
186	N	43.2	Very low	47.1	Very low	157 Å²	157	128.8 Å²	128.8	84%	0.84	76%	0.755	S	S	*	*			trans	-54.7	103.9	145.7	-86.2	-45.5	0	0	0	107.3	D184 P188	D184-N186 PolarHBondContact O-N 3.15Å; N186-P188 VanDerWaalsContact O-CD 3.23Å; N186-P188 WeakPolarHBondContact O-CD 3.46Å; N186-P188 VanDerWaalsContact O-N 3.12Å
187	A	45.2	Very low	45.9	Very low	88 Å²	88	130.4 Å²	130.4	73%	0.727	75%	0.754	S	S	*	*			trans	-60.1	115.8	175.1	0	0	0	0	0	108.6	F185 S189	F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.35Å; A187-S189 PolarHBondContact O-N 3.49Å
188	P	45.1	Very low	44.9	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.7	129.8	175	27.7	-32.5	0	0	0	108.1	N186 V190	N186-P188 VanDerWaalsContact O-CD 3.23Å; N186-P188 WeakPolarHBondContact O-CD 3.46Å; N186-P188 VanDerWaalsContact O-N 3.12Å; P188-V190 PolarHBondContact O-N 3.4Å; P188-V190 VanDerWaalsContact O-N 3.17Å
189	S	47.3	Very low	43.6	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-50.1	122.2	-176.8	-49.2	0	0	0	0	111.1	A187	A187-S189 PolarHBondContact O-N 3.49Å
190	V	45	Very low	42.8	Very low	120 Å²	120	134.2 Å²	134.2	73%	0.727	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-59.4	134.6	167	-74	0	0	0	0	108.7	P188 T192	P188-V190 PolarHBondContact O-N 3.4Å; P188-V190 VanDerWaalsContact O-N 3.17Å; V190-T192 PolarHBondContact O-N 3.13Å
191	P	45.8	Very low	41.5	Very low	126 Å²	126	130.2 Å²	130.2	82%	0.818	78%	0.78	S	S	*	*			trans	-62.6	101.8	173.6	-25.1	35.7	0	0	0	110.8	G193	P191-G193 PolarHBondContact O-N 3.44Å
192	T	45.3	Very low	40.3	Very low	147 Å²	147	129.1 Å²	129.1	90%	0.902	78%	0.781	S	S	*	*			trans	-68.8	84.4	168	-52	0	0	0	0	108.6	V190	V190-T192 PolarHBondContact O-N 3.13Å
193	G	39.3	Very low	39.5	Very low	62 Å²	62	128.5 Å²	128.5	64%	0.639	79%	0.793	S	S	*	*			trans	-163.8	100	-178	0	0	0	0	0	110.8	P191	P191-G193 PolarHBondContact O-N 3.44Å
194	I	38	Very low	38.3	Very low	160 Å²	160	126.3 Å²	126.3	82%	0.821	79%	0.792	S	S	*	*			trans	-65.5	137.7	174.2	-57.6	169	0	0	0	108	G196	I194-G196 PolarHBondContact O-N 3.45Å
195	P	36.1	Very low	37.4	Very low	135 Å²	135	121.9 Å²	121.9	88%	0.877	78%	0.784	S	S	*	*	S	Bend	trans	-68.4	99.7	178.4	-18.5	31.9	0	0	0	111.9
196	G	34.6	Very low	36.5	Very low	72 Å²	72	118.4 Å²	118.4	74%	0.742	78%	0.779	S	S	*	*			trans	134.7	59	167.2	0	0	0	0	0	117.2	I194	I194-G196 PolarHBondContact O-N 3.45Å
197	D	32.8	Very low	35.8	Very low	149 Å²	149	118.9 Å²	118.9	80%	0.797	78%	0.778	S	S	*	*			trans	-170	141.2	163.7	-118.8	-32.5	0	0	0	107.3
198	S	32	Very low	35.4	Very low	94 Å²	94	119.2 Å²	119.2	66%	0.657	77%	0.773	S	S	*	*			cis	-171	163.5	-22.1	29.7	0	0	0	0	106.7
199	L	30.4	Very low	34.7	Very low	138 Å²	138	119.7 Å²	119.7	72%	0.723	78%	0.779	S	S	*	*			cis	-152.2	150.6	-4.6	-141.6	68.9	0	0	0	107.3
200	P	36	Very low	34.1	Very low	121 Å²	121	118.7 Å²	118.7	79%	0.786	78%	0.778	S	S	*	*			trans	-90.1	138	-173.6	34.3	-32.8	0	0	0	114.5
201	T	29.3	Very low	33.8	Very low	135 Å²	135	118 Å²	118	83%	0.828	78%	0.778	S	S	*	*			trans	-156.5	159.2	163.3	49.4	0	0	0	0	111.2
202	P	35.3	Very low	34	Very low	109 Å²	109	119 Å²	119	71%	0.708	78%	0.777	S	S	*	*			cis	-130.3	147.6	-49.3	36.2	-22	0	0	0	112.3	T204	P202-T204 PolarHBondContact O-N 3.01Å
203	A	25.7	Very low	34.5	Very low	111 Å²	111	118.3 Å²	118.3	92%	0.917	77%	0.766	S	S	*	*			trans	-97.7	83.9	173.6	0	0	0	0	0	111.5
204	T	28.3	Very low	35.5	Very low	135 Å²	135	123.3 Å²	123.3	83%	0.828	77%	0.771	S	S	*	*			trans	-126	107.8	174.3	-48.4	0	0	0	0	111.3	P202	P202-T204 PolarHBondContact O-N 3.01Å
205	G	27.2	Very low	37	Very low	64 Å²	64	121.2 Å²	121.2	66%	0.66	76%	0.76	S	S	*	*			trans	107.3	101.4	154.3	0	0	0	0	0	118.7
206	T	25.2	Very low	38.5	Very low	132 Å²	132	117.5 Å²	117.5	81%	0.81	73%	0.733	S	S	*	*				71.8	104.9	121.1	-45.8	0	0	0	0	120.6
207	M	28.1	Very low	40.5	Very low	167 Å²	167	123 Å²	123	82%	0.823	74%	0.74	S	S	*	*			trans	70.1	166.4	145.8	-62.2	-91.8	-75.5	0	0	118.2
208	P	37	Very low	41.8	Very low	95 Å²	95	124.5 Å²	124.5	62%	0.617	74%	0.739	S	S	*	*				-132.5	168.2	-56.3	39.2	-25.1	0	0	0	113.3
209	S	29.1	Very low	43.3	Very low	125 Å²	125	122.3 Å²	122.3	87%	0.874	73%	0.731	S	S	*	*			trans	64.5	133.1	160.9	-68.6	0	0	0	0	119.6
210	A	35	Very low	45.3	Very low	95 Å²	95	120.7 Å²	120.7	79%	0.785	72%	0.723	S	S	*	*			trans	-80.9	174.5	179.2	0	0	0	0	0	114.1
211	S	39.3	Very low	46.7	Very low	105 Å²	105	118.5 Å²	118.5	73%	0.734	71%	0.708	S	S	*	*			trans	81.2	130	176.2	85.3	0	0	0	0	114.6
212	N	50.7	Low	48.4	Very low	149 Å²	149	118.1 Å²	118.1	80%	0.797	70%	0.697	S	S	*	*			cis	-139.9	110.4	5.4	-74.8	-78.6	0	0	0	110.8
213	I	55.1	Low	49.8	Very low	131 Å²	131	120.7 Å²	120.7	67%	0.672	70%	0.703	S	S	*	*			trans	-109.6	118	165	-60.4	174.5	0	0	0	106.9	P221	I213-P221 HydrophobicContact CG2-CB 3.61Å; I213-P221 HydrophobicContact CG2-CG 3.96Å
214	K	59.9	Low	51.2	Low	168 Å²	168	124.6 Å²	124.6	73%	0.73	72%	0.724	S	S	*	*			trans	-79.5	128.8	172.7	-74.8	-174.6	178.4	179.2	0	109	Q222	K214-Q222 PolarHBondContact O-N 3.32Å
215	L	69.8	Low	52.3	Low	115 Å²	115	124.1 Å²	124.1	60%	0.602	72%	0.719	S	S	*	*	B	Isolated β-bridge	trans	-95.3	147.3	-179.2	-63.1	156.4	0	0	0	110	G219 L220	L215-G219 VanDerWaalsContact CD2-O 3.29Å; L215-G219 WeakPolarHBondContact CD2-O 3.27Å; L215-L220 CarbonylContact C-O 3.58Å; L215-L220 VanDerWaalsContact CA-O 3.27Å; L215-L220 WeakPolarHBondContact CA-O 3.46Å
216	D	68.2	Low	53.6	Low	57 Å²	57	127.2 Å²	127.2	31%	0.305	72%	0.722	S	S	.	*			trans	-88.6	-175.2	168.9	68.4	19.6	0	0	0	112.8	F218 G219 L220 Q222	D216-F218 PolarHBondContact O-N 2.99Å; D216-F218 WeakPolarHBondContact OD1-CA 3.24Å; D216-F218 PolarHBondContact OD1-N 2.83Å; D216-G219 PolarHBondContact O-N 2.71Å; D216-G219 PolarHBondContact OD1-N 3.36Å; D216-G219 VanDerWaalsContact OD1-N 3.14Å; D216-L220 PolarHBondContact N-O 2.93Å; D216-L220 PolarHBondContact OD1-N 3.13Å; D216-Q222 HydrophobicContact CB-CG 3.99Å
217	E	75.1	Confident	55.2	Low	189 Å²	189	126.9 Å²	126.9	88%	0.883	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-19.5	-178.2	-171.1	168.2	173.9	0	0	113.7
218	F	61	Low	56.8	Low	180 Å²	180	124.6 Å²	124.6	79%	0.789	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	7.3	174.3	-66	-78.3	0	0	0	112.8	D216 L220	D216-F218 PolarHBondContact O-N 2.99Å; D216-F218 WeakPolarHBondContact OD1-CA 3.24Å; D216-F218 PolarHBondContact OD1-N 2.83Å; F218-L220 VanDerWaalsContact C-N 3.33Å
219	G	63.3	Low	58	Low	47 Å²	47	126.4 Å²	126.4	49%	0.485	72%	0.717	S	S	.	*	S	Bend	trans	74	22.9	179.4	0	0	0	0	0	113.7	L215 D216	L215-G219 VanDerWaalsContact CD2-O 3.29Å; L215-G219 WeakPolarHBondContact CD2-O 3.27Å; D216-G219 PolarHBondContact O-N 2.71Å; D216-G219 PolarHBondContact OD1-N 3.36Å; D216-G219 VanDerWaalsContact OD1-N 3.14Å
220	L	71.9	Confident	60	Low	105 Å²	105	126.5 Å²	126.5	55%	0.55	71%	0.706	S	S	.	*			trans	-101.7	151.5	178.1	-65.2	171.6	0	0	0	111.6	L215 D216 F218 Q222	L215-L220 CarbonylContact C-O 3.58Å; L215-L220 VanDerWaalsContact CA-O 3.27Å; L215-L220 WeakPolarHBondContact CA-O 3.46Å; D216-L220 PolarHBondContact N-O 2.93Å; D216-L220 PolarHBondContact OD1-N 3.13Å; F218-L220 VanDerWaalsContact C-N 3.33Å; L220-Q222 PolarHBondContact O-N 2.7Å
221	P	66.5	Low	61.8	Low	74 Å²	74	128.8 Å²	128.8	48%	0.481	70%	0.7	S	S	.	*	B	Isolated β-bridge	trans	-59.5	128.7	173.9	-24	35.1	0	0	0	112.2	I213 I223	I213-P221 HydrophobicContact CG2-CB 3.61Å; I213-P221 HydrophobicContact CG2-CG 3.96Å; P221-I223 PolarHBondContact O-N 3.15Å; P221-I223 VanDerWaalsContact O-N 3.13Å
222	Q	64.7	Low	63.5	Low	127 Å²	127	130.6 Å²	130.6	59%	0.593	70%	0.698	S	S	*	*			trans	-69.2	111.7	171.2	-71.5	-162.1	-16.7	0	0	110.8	K214 D216 L220	K214-Q222 PolarHBondContact O-N 3.32Å; D216-Q222 HydrophobicContact CB-CG 3.99Å; L220-Q222 PolarHBondContact O-N 2.7Å
223	I	64.5	Low	64.5	Low	163 Å²	163	129.1 Å²	129.1	84%	0.836	69%	0.69	S	S	*	*			trans	-78.7	143.2	168.3	55	170.2	0	0	0	110.9	P221	P221-I223 PolarHBondContact O-N 3.15Å; P221-I223 VanDerWaalsContact O-N 3.13Å
224	S	54.6	Low	65.4	Low	193 Å²	193	128.9 Å²	128.9	100%	1.35	69%	0.691	S	S	*	*			trans	-148.8	0	168.3	-64.9	0	0	0	0	108.6

Retrieved 224 of 224 residues in 88.8 ms (Link to these results)

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