A0A096N3P9_PAPAN Loading...

Troponin I1, slow skeletal type

Troponin I is the inhibitory subunit of troponin, the thin filament regulatory complex which confers calcium-sensitivity to striated muscle actomyosin ATPase activity.

AlphaFold DB (A0A2K6PUE1), UniProt , Accession A0A096N3P9, Species PAPAN (Papio anubis, Olive baboon), Gene TNNI1, Length 187 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	48.6	Very low	75	Confident	231 Å²	231	162.2 Å²	162.2	100%	1.138	80%	0.799	S	S	*	*				0	127.6	0	-66.9	-56.3	178.3	0	0	107.9
2	P	61.8	Low	76.4	Confident	120 Å²	120	155.3 Å²	155.3	78%	0.779	79%	0.787	S	S	*	*			trans	-68.4	135.8	174	29.5	-33	0	0	0	109.8	V4	P2-V4 PolarHBondContact O-N 3.01Å
3	E	66.6	Low	77.7	Confident	191 Å²	191	150.5 Å²	150.5	89%	0.893	78%	0.776	S	S	*	*			trans	-73.6	123.5	-179.8	-168.2	169.8	-179	0	0	110	E5	E3-E5 PolarHBondContact O-N 2.66Å; E3-E5 VanDerWaalsContact O-N 3.14Å
4	V	70.4	Confident	78.9	Confident	128 Å²	128	148.6 Å²	148.6	78%	0.776	75%	0.754	S	S	*	*			trans	-78.5	101.8	-175.6	-178.8	0	0	0	0	109.4	P2 R6	P2-V4 PolarHBondContact O-N 3.01Å; V4-R6 PolarHBondContact O-N 2.97Å; V4-R6 VanDerWaalsContact O-N 3.1Å
5	E	72.7	Confident	80	Confident	185 Å²	185	146.3 Å²	146.3	86%	0.864	74%	0.737	S	S	*	*			trans	-53.6	117.4	174.7	-85.9	-162.1	135.5	0	0	111.3	E3 K7	E3-E5 PolarHBondContact O-N 2.66Å; E3-E5 VanDerWaalsContact O-N 3.14Å; E5-K7 PolarHBondContact O-N 2.98Å
6	R	78.3	Confident	81	Confident	243 Å²	243	144.8 Å²	144.8	92%	0.917	73%	0.731	S	S	*	*			trans	-72	116	178.5	-67.5	179.8	176.8	176.3	-1.3	109.6	V4	V4-R6 PolarHBondContact O-N 2.97Å; V4-R6 VanDerWaalsContact O-N 3.1Å
7	K	77.8	Confident	81.9	Confident	199 Å²	199	141.1 Å²	141.1	87%	0.865	71%	0.713	S	S	*	*			trans	-52.2	131.6	176.6	-67.1	-178.6	-179.4	177	0	110.7	E5 K9	E5-K7 PolarHBondContact O-N 2.98Å; K7-K9 PolarHBondContact O-N 3.24Å
8	P	79.8	Confident	82.8	Confident	99 Å²	99	137.2 Å²	137.2	64%	0.643	69%	0.694	S	S	*	*			trans	-67	135.1	-175.1	25.5	-34.1	0	0	0	111.7	I10	P8-I10 PolarHBondContact O-N 2.86Å
9	K	85.9	Confident	83.5	Confident	214 Å²	214	137.9 Å²	137.9	93%	0.93	69%	0.692	S	S	*	*	S	Bend	trans	-55.5	-22.8	-177.2	-64.7	-176.2	178.1	-177.4	0	115.1	K7	K7-K9 PolarHBondContact O-N 3.24Å
10	I	90.3	Very high	84.2	Confident	85 Å²	85	134.8 Å²	134.8	44%	0.436	68%	0.684	S	S	.	*	S	Bend	trans	-130	126.6	179.8	-56.7	-67.4	0	0	0	108.8	P8 R14 K15	P8-I10 PolarHBondContact O-N 2.86Å; I10-R14 HydrophobicContact CG2-CB 3.85Å; I10-R14 HydrophobicContact CG2-CG 3.84Å; I10-K15 HydrophobicContact CG2-CG 3.87Å; I10-K15 WeakPolarHBondContact O-CE 3.43Å
11	T	92.4	Very high	84.9	Confident	89 Å²	89	133 Å²	133	55%	0.546	68%	0.675	S	S	.	*			trans	-63.2	150	179	63.5	0	0	0	0	112.1	S13 R14 K15	T11-S13 PolarHBondContact O-N 2.96Å; T11-R14 PolarHBondContact O-N 3.18Å; T11-R14 VanDerWaalsContact O-N 3.15Å; T11-R14 PolarHBondContact OG1-N 3.3Å; T11-K15 PolarHBondContact O-N 3Å; T11-K15 VanDerWaalsContact O-N 3.16Å
12	A	91.8	Very high	87.2	Confident	80 Å²	80	128.6 Å²	128.6	66%	0.661	65%	0.654	S	S	*	*	H	α-helix	trans	-56.7	-39.7	176.4	0	0	0	0	0	111.8	R14 K15 L16	A12-R14 PolarHBondContact O-N 3.36Å; A12-K15 PolarHBondContact O-N 2.72Å; A12-L16 PolarHBondContact O-N 3.36Å
13	S	93	Very high	89	Confident	92 Å²	92	128.9 Å²	128.9	64%	0.643	65%	0.648	S	S	*	*	H	α-helix	trans	-59.1	-41.9	176.5	-41.4	0	0	0	0	112.8	T11 L16 L17	T11-S13 PolarHBondContact O-N 2.96Å; S13-L16 PolarHBondContact O-N 3.11Å; S13-L17 WeakPolarHBondContact O-CB 3.42Å; S13-L17 PolarHBondContact O-N 2.98Å
14	R	94.9	Very high	90.4	Very high	124 Å²	124	122.6 Å²	122.6	47%	0.468	63%	0.629	S	S	.	*	H	α-helix	trans	-67.7	-39	176	-179.9	58.6	176.8	-176.9	1.1	111.7	I10 T11 A12 L16 L17 L18	I10-R14 HydrophobicContact CG2-CB 3.85Å; I10-R14 HydrophobicContact CG2-CG 3.84Å; T11-R14 PolarHBondContact O-N 3.18Å; T11-R14 VanDerWaalsContact O-N 3.15Å; T11-R14 PolarHBondContact OG1-N 3.3Å; A12-R14 PolarHBondContact O-N 3.36Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-L17 PolarHBondContact O-N 3.5Å; R14-L18 HydrophobicContact CG-CD1 4.23Å; R14-L18 VanDerWaalsContact O-CG 3.32Å; R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.36Å
15	K	95.2	Very high	91.7	Very high	114 Å²	114	121.2 Å²	121.2	50%	0.496	61%	0.613	S	S	.	*	H	α-helix	trans	-62.7	-40.4	174.2	-62.6	-179.3	-174.7	179.6	0	111.7	I10 T11 A12 K19	I10-K15 HydrophobicContact CG2-CG 3.87Å; I10-K15 WeakPolarHBondContact O-CE 3.43Å; T11-K15 PolarHBondContact O-N 3Å; T11-K15 VanDerWaalsContact O-N 3.16Å; A12-K15 PolarHBondContact O-N 2.72Å; K15-K19 WeakPolarHBondContact O-CG 3.48Å; K15-K19 PolarHBondContact O-N 3.12Å; K15-K19 VanDerWaalsContact O-N 3.07Å
16	L	96	Very high	93	Very high	122 Å²	122	115.2 Å²	115.2	64%	0.639	59%	0.594	S	S	*	*	H	α-helix	trans	-66.5	-46.5	177.4	-178.6	62.1	0	0	0	111.7	A12 S13 R14 L18 K19 S20	A12-L16 PolarHBondContact O-N 3.36Å; S13-L16 PolarHBondContact O-N 3.11Å; R14-L16 VanDerWaalsContact C-N 3.34Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.48Å; L16-K19 PolarHBondContact O-N 2.99Å; L16-S20 PolarHBondContact O-N 3.41Å
17	L	96.9	Very high	93.9	Very high	83 Å²	83	109.1 Å²	109.1	44%	0.435	58%	0.575	S	S	.	*	H	α-helix	trans	-56.4	-47.8	175.2	176.8	61.2	0	0	0	111.6	S13 R14 K19 S20 L21	S13-L17 WeakPolarHBondContact O-CB 3.42Å; S13-L17 PolarHBondContact O-N 2.98Å; R14-L17 PolarHBondContact O-N 3.5Å; L17-K19 PolarHBondContact O-N 3.45Å; L17-S20 WeakPolarHBondContact O-CB 3.48Å; L17-S20 PolarHBondContact O-N 3.37Å; L17-S20 VanDerWaalsContact O-N 3.17Å; L17-L21 HydrophobicContact CD1-CD1 4.21Å; L17-L21 HydrophobicContact CD1-CG 4.27Å; L17-L21 HydrophobicContact CG-CD1 4.14Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.35Å
18	L	97.4	Very high	94.8	Very high	71 Å²	71	104.4 Å²	104.4	37%	0.372	56%	0.556	S	S	.	*	H	α-helix	trans	-60.5	-44.3	177.4	-71.9	170.5	0	0	0	112.1	R14 L16 S20 L21 M22	R14-L18 HydrophobicContact CG-CD1 4.23Å; R14-L18 VanDerWaalsContact O-CG 3.32Å; R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.36Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.48Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 3.07Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-M22 WeakPolarHBondContact O-CB 3.45Å; L18-M22 VanDerWaalsContact O-CG 3.29Å; L18-M22 WeakPolarHBondContact O-CG 3.27Å; L18-M22 PolarHBondContact O-N 3.23Å
19	K	97.5	Very high	95.7	Very high	151 Å²	151	102.4 Å²	102.4	66%	0.657	54%	0.543	S	S	*	.	H	α-helix	trans	-59.8	-40.1	174	-74.4	179.9	177.3	-170	0	112.5	K15 L16 L17 M22 L23	K15-K19 WeakPolarHBondContact O-CG 3.48Å; K15-K19 PolarHBondContact O-N 3.12Å; K15-K19 VanDerWaalsContact O-N 3.07Å; L16-K19 PolarHBondContact O-N 2.99Å; L17-K19 PolarHBondContact O-N 3.45Å; K19-M22 PolarHBondContact O-N 3.1Å; K19-L23 WeakPolarHBondContact O-CB 3.39Å; K19-L23 PolarHBondContact O-N 2.99Å
20	S	97.1	Very high	96.3	Very high	74 Å²	74	99.6 Å²	99.6	52%	0.517	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-42.6	177.5	-165.1	0	0	0	0	112	L16 L17 L18 L23 A24	L16-S20 PolarHBondContact O-N 3.41Å; L17-S20 WeakPolarHBondContact O-CB 3.48Å; L17-S20 PolarHBondContact O-N 3.37Å; L17-S20 VanDerWaalsContact O-N 3.17Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 3.07Å; S20-L23 PolarHBondContact O-N 2.92Å; S20-A24 WeakPolarHBondContact O-CB 3.37Å; S20-A24 PolarHBondContact O-N 3.47Å
21	L	97.9	Very high	96.6	Very high	97 Å²	97	99.2 Å²	99.2	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-67.4	-41.6	176.4	-68	171.6	0	0	0	111.8	L17 L18 L23 A24 K25	L17-L21 HydrophobicContact CD1-CD1 4.21Å; L17-L21 HydrophobicContact CD1-CG 4.27Å; L17-L21 HydrophobicContact CG-CD1 4.14Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.35Å; L18-L21 PolarHBondContact O-N 3.46Å; L21-L23 PolarHBondContact O-N 3.38Å; L21-A24 PolarHBondContact O-N 3.14Å; L21-K25 PolarHBondContact O-N 3.36Å
22	M	98.1	Very high	96.9	Very high	139 Å²	139	99.4 Å²	99.4	69%	0.685	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-42.8	174.3	-71.4	177.2	75.2	0	0	111.8	L18 K19 K25 A26	L18-M22 WeakPolarHBondContact O-CB 3.45Å; L18-M22 VanDerWaalsContact O-CG 3.29Å; L18-M22 WeakPolarHBondContact O-CG 3.27Å; L18-M22 PolarHBondContact O-N 3.23Å; K19-M22 PolarHBondContact O-N 3.1Å; M22-K25 PolarHBondContact O-N 3.37Å; M22-A26 VanDerWaalsContact O-CB 3.27Å; M22-A26 WeakPolarHBondContact O-CB 3.3Å; M22-A26 PolarHBondContact O-N 2.96Å
23	L	98.1	Very high	97.2	Very high	127 Å²	127	100.1 Å²	100.1	67%	0.665	51%	0.508	S	S	*	.	H	α-helix	trans	-68.2	-38	177.5	-176.2	61.9	0	0	0	112.1	K19 S20 L21 A26 K27	K19-L23 WeakPolarHBondContact O-CB 3.39Å; K19-L23 PolarHBondContact O-N 2.99Å; S20-L23 PolarHBondContact O-N 2.92Å; L21-L23 PolarHBondContact O-N 3.38Å; L23-A26 PolarHBondContact O-N 2.92Å; L23-K27 PolarHBondContact O-N 3.47Å
24	A	97.6	Very high	97.4	Very high	59 Å²	59	100 Å²	100	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-47	174.2	0	0	0	0	0	111.6	S20 L21 K27 E28	S20-A24 WeakPolarHBondContact O-CB 3.37Å; S20-A24 PolarHBondContact O-N 3.47Å; L21-A24 PolarHBondContact O-N 3.14Å; A24-K27 WeakPolarHBondContact O-CB 3.35Å; A24-K27 PolarHBondContact O-N 3.06Å; A24-E28 PolarHBondContact O-N 2.97Å
25	K	98.1	Very high	97.6	Very high	99 Å²	99	100.9 Å²	100.9	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-37.3	177	-172.4	51.5	170.8	168.5	0	112.5	L21 M22 K27 E28 C29	L21-K25 PolarHBondContact O-N 3.36Å; M22-K25 PolarHBondContact O-N 3.37Å; K25-K27 VanDerWaalsContact C-N 3.3Å; K25-K27 PolarHBondContact O-N 3.46Å; K25-E28 HydrophobicContact CD-CB 4.37Å; K25-E28 WeakPolarHBondContact CD-OE2 3.5Å; K25-E28 IonicContact NZ-OE1 3.15Å; K25-E28 PolarHBondContact NZ-OE1 3.39Å; K25-E28 IonicContact NZ-OE2 3.85Å; K25-E28 PolarHBondContact NZ-OE2 2.93Å; K25-E28 PolarHBondContact O-N 3.36Å; K25-C29 PolarHBondContact O-N 3.12Å; K25-C29 PolarHBondContact O-SG 3.37Å; K25-C29 VanDerWaalsContact O-SG 3.39Å
26	A	98.1	Very high	97.7	Very high	58 Å²	58	100.6 Å²	100.6	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-36.9	174.1	0	0	0	0	0	112.2	M22 L23 W30	M22-A26 VanDerWaalsContact O-CB 3.27Å; M22-A26 WeakPolarHBondContact O-CB 3.3Å; M22-A26 PolarHBondContact O-N 2.96Å; L23-A26 PolarHBondContact O-N 2.92Å; A26-W30 WeakPolarHBondContact O-CB 3.42Å; A26-W30 PolarHBondContact O-N 2.98Å
27	K	97.6	Very high	97.8	Very high	116 Å²	116	101.3 Å²	101.3	50%	0.504	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-49.3	173	-175.1	-176.8	177	-82.8	0	111.4	L23 A24 K25 C29 W30 E31	L23-K27 PolarHBondContact O-N 3.47Å; A24-K27 WeakPolarHBondContact O-CB 3.35Å; A24-K27 PolarHBondContact O-N 3.06Å; K25-K27 VanDerWaalsContact C-N 3.3Å; K25-K27 PolarHBondContact O-N 3.46Å; K27-C29 PolarHBondContact O-N 3.3Å; K27-W30 PolarHBondContact O-N 2.86Å; K27-W30 VanDerWaalsContact O-N 3.12Å; K27-E31 WeakPolarHBondContact CE-OE1 3.18Å; K27-E31 IonicContact NZ-OE1 2.63Å; K27-E31 PolarHBondContact NZ-OE1 2.6Å; K27-E31 IonicContact NZ-OE2 3.56Å; K27-E31 PolarHBondContact NZ-OE2 3.22Å; K27-E31 WeakPolarHBondContact O-CG 3.5Å; K27-E31 PolarHBondContact O-N 2.72Å
28	E	98	Very high	97.8	Very high	100 Å²	100	101.1 Å²	101.1	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-56.1	-48.3	178.1	-172.4	-162.8	150.5	0	0	111.6	A24 K25 W30 E31 Q32	A24-E28 PolarHBondContact O-N 2.97Å; K25-E28 HydrophobicContact CD-CB 4.37Å; K25-E28 WeakPolarHBondContact CD-OE2 3.5Å; K25-E28 IonicContact NZ-OE1 3.15Å; K25-E28 PolarHBondContact NZ-OE1 3.39Å; K25-E28 IonicContact NZ-OE2 3.85Å; K25-E28 PolarHBondContact NZ-OE2 2.93Å; K25-E28 PolarHBondContact O-N 3.36Å; E28-W30 VanDerWaalsContact C-N 3.32Å; E28-W30 PolarHBondContact O-N 3.24Å; E28-E31 PolarHBondContact O-N 3.32Å; E28-Q32 PolarHBondContact O-N 3.17Å
29	C	98.1	Very high	97.8	Very high	56 Å²	56	100.7 Å²	100.7	38%	0.378	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-32.8	176.7	-67.7	0	0	0	0	113.1	K25 K27 E33	K25-C29 PolarHBondContact O-N 3.12Å; K25-C29 PolarHBondContact O-SG 3.37Å; K25-C29 VanDerWaalsContact O-SG 3.39Å; K27-C29 PolarHBondContact O-N 3.3Å; C29-E33 WeakPolarHBondContact O-CB 3.5Å; C29-E33 PolarHBondContact O-N 3.39Å
30	W	97.6	Very high	97.9	Very high	155 Å²	155	97.6 Å²	97.6	59%	0.587	49%	0.492	S	S	*	.	H	α-helix	trans	-71.1	-37.2	176	179.7	80.3	0	0	0	112.6	A26 K27 E28 H34	A26-W30 WeakPolarHBondContact O-CB 3.42Å; A26-W30 PolarHBondContact O-N 2.98Å; K27-W30 PolarHBondContact O-N 2.86Å; K27-W30 VanDerWaalsContact O-N 3.12Å; E28-W30 VanDerWaalsContact C-N 3.32Å; E28-W30 PolarHBondContact O-N 3.24Å; W30-H34 WeakPolarHBondContact O-CB 3.31Å; W30-H34 PolarHBondContact O-N 2.78Å; W30-H34 VanDerWaalsContact O-N 3.12Å
31	E	97.8	Very high	97.9	Very high	78 Å²	78	99 Å²	99	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-65.9	-44.7	173.4	-68.5	174.9	142.6	0	0	110.2	K27 E28 H34 E35	K27-E31 WeakPolarHBondContact CE-OE1 3.18Å; K27-E31 IonicContact NZ-OE1 2.63Å; K27-E31 PolarHBondContact NZ-OE1 2.6Å; K27-E31 IonicContact NZ-OE2 3.56Å; K27-E31 PolarHBondContact NZ-OE2 3.22Å; K27-E31 WeakPolarHBondContact O-CG 3.5Å; K27-E31 PolarHBondContact O-N 2.72Å; E28-E31 PolarHBondContact O-N 3.32Å; E31-H34 WeakPolarHBondContact O-CB 3.4Å; E31-H34 PolarHBondContact O-N 3.02Å; E31-E35 PolarHBondContact O-N 3.4Å
32	Q	97.9	Very high	97.8	Very high	93 Å²	93	99.1 Å²	99.1	44%	0.435	49%	0.494	S	S	.	.	H	α-helix	trans	-58.8	-49.2	173.7	-177.5	-177.1	-7.5	0	0	112.6	E28 H34 E35 E36	E28-Q32 PolarHBondContact O-N 3.17Å; Q32-H34 PolarHBondContact O-N 3.46Å; Q32-E35 PolarHBondContact O-N 2.87Å; Q32-E35 VanDerWaalsContact O-N 3.14Å; Q32-E36 HydrophobicContact CG-CG 4.42Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.47Å; Q32-E36 PolarHBondContact NE2-OE1 2.88Å; Q32-E36 WeakPolarHBondContact O-CG 3.28Å; Q32-E36 PolarHBondContact O-N 3.39Å
33	E	98.1	Very high	97.8	Very high	95 Å²	95	100 Å²	100	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-59.8	-34.3	178.6	-165.2	-156.2	148.6	0	0	111.7	C29 R37	C29-E33 WeakPolarHBondContact O-CB 3.5Å; C29-E33 PolarHBondContact O-N 3.39Å; E33-R37 VanDerWaalsContact O-CB 3.23Å; E33-R37 WeakPolarHBondContact O-CB 3.28Å; E33-R37 PolarHBondContact O-N 2.91Å; E33-R37 IonicContact OE1-CZ 2.72Å; E33-R37 IonicContact OE1-NH2 2.78Å; E33-R37 PolarHBondContact OE1-NH2 3.29Å
34	H	97.7	Very high	97.7	Very high	88 Å²	88	99.5 Å²	99.5	41%	0.407	48%	0.479	S	S	.	.	H	α-helix	trans	-69.6	-41.1	176.5	-169.3	-56	0	0	0	112.2	W30 E31 Q32 E38	W30-H34 WeakPolarHBondContact O-CB 3.31Å; W30-H34 PolarHBondContact O-N 2.78Å; W30-H34 VanDerWaalsContact O-N 3.12Å; E31-H34 WeakPolarHBondContact O-CB 3.4Å; E31-H34 PolarHBondContact O-N 3.02Å; Q32-H34 PolarHBondContact O-N 3.46Å; H34-E38 PolarHBondContact O-N 3.49Å; H34-E38 VanDerWaalsContact O-N 3.14Å
35	E	97.9	Very high	97.6	Very high	144 Å²	144	100.5 Å²	100.5	67%	0.673	48%	0.476	S	S	*	.	H	α-helix	trans	-65.1	-46.7	175.2	-71.3	179.5	-177	0	0	111.4	E31 Q32 R37 E38 A39	E31-E35 PolarHBondContact O-N 3.4Å; Q32-E35 PolarHBondContact O-N 2.87Å; Q32-E35 VanDerWaalsContact O-N 3.14Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.92Å; E35-E38 PolarHBondContact O-N 3.15Å; E35-A39 WeakPolarHBondContact O-CB 3.46Å; E35-A39 PolarHBondContact O-N 2.82Å
36	E	97.9	Very high	97.5	Very high	107 Å²	107	98.9 Å²	98.9	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-58.6	-41.4	175.9	-72.1	174.6	-174.7	0	0	111.7	Q32 A39 E40	Q32-E36 HydrophobicContact CG-CG 4.42Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.47Å; Q32-E36 PolarHBondContact NE2-OE1 2.88Å; Q32-E36 WeakPolarHBondContact O-CG 3.28Å; Q32-E36 PolarHBondContact O-N 3.39Å; E36-A39 PolarHBondContact O-N 3.42Å; E36-E40 WeakPolarHBondContact O-CB 3.26Å; E36-E40 PolarHBondContact O-N 2.97Å
37	R	97.8	Very high	97.4	Very high	137 Å²	137	103.4 Å²	103.4	52%	0.517	49%	0.492	S	S	.	.	H	α-helix	trans	-66.1	-42.4	178.4	-172.2	-173.9	-59.7	168.7	0.6	113.4	E33 E35 K41	E33-R37 VanDerWaalsContact O-CB 3.23Å; E33-R37 WeakPolarHBondContact O-CB 3.28Å; E33-R37 PolarHBondContact O-N 2.91Å; E33-R37 IonicContact OE1-CZ 2.72Å; E33-R37 IonicContact OE1-NH2 2.78Å; E33-R37 PolarHBondContact OE1-NH2 3.29Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.92Å; R37-K41 WeakPolarHBondContact O-CB 3.35Å; R37-K41 PolarHBondContact O-N 3.26Å
38	E	97.8	Very high	97.2	Very high	79 Å²	79	104.4 Å²	104.4	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-72.5	-34	177	-72.6	-65.8	123.6	0	0	111.5	H34 E35 K41 V42	H34-E38 PolarHBondContact O-N 3.49Å; H34-E38 VanDerWaalsContact O-N 3.14Å; E35-E38 PolarHBondContact O-N 3.15Å; E38-K41 VanDerWaalsContact CD-NZ 3.25Å; E38-K41 PolarHBondContact O-N 3.4Å; E38-K41 WeakPolarHBondContact OE1-CD 3.46Å; E38-K41 IonicContact OE1-NZ 2.78Å; E38-K41 PolarHBondContact OE1-NZ 2.95Å; E38-K41 IonicContact OE2-NZ 3.53Å; E38-K41 PolarHBondContact OE2-NZ 2.89Å; E38-V42 WeakPolarHBondContact O-CG2 3.24Å; E38-V42 PolarHBondContact O-N 3.28Å
39	A	97.9	Very high	96.9	Very high	62 Å²	62	105.4 Å²	105.4	51%	0.512	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-44.3	171.3	0	0	0	0	0	112.2	E35 E36 V42 R43	E35-A39 WeakPolarHBondContact O-CB 3.46Å; E35-A39 PolarHBondContact O-N 2.82Å; E36-A39 PolarHBondContact O-N 3.42Å; A39-V42 PolarHBondContact O-N 3.03Å; A39-R43 PolarHBondContact O-N 3.44Å
40	E	98	Very high	96.5	Very high	87 Å²	87	106.7 Å²	106.7	41%	0.407	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-46	175.1	-174.2	61.5	-125.7	0	0	111.6	E36 V42 R43 Y44	E36-E40 WeakPolarHBondContact O-CB 3.26Å; E36-E40 PolarHBondContact O-N 2.97Å; E40-V42 VanDerWaalsContact C-N 3.34Å; E40-V42 PolarHBondContact O-N 3.27Å; E40-R43 WeakPolarHBondContact O-CB 3.47Å; E40-R43 PolarHBondContact O-N 2.94Å; E40-R43 VanDerWaalsContact O-N 3.16Å; E40-R43 IonicContact OE1-CZ 2.77Å; E40-R43 IonicContact OE1-NE 3Å; E40-R43 PolarHBondContact OE1-NE 3.43Å; E40-R43 IonicContact OE1-NH2 2.59Å; E40-R43 PolarHBondContact OE1-NH2 3.07Å; E40-R43 IonicContact OE2-CZ 2.94Å; E40-R43 IonicContact OE2-NE 2.65Å; E40-R43 IonicContact OE2-NH1 2.64Å; E40-R43 IonicContact OE2-NH2 3.76Å; E40-R43 PolarHBondContact OE2-NH2 3.03Å; E40-Y44 WeakPolarHBondContact O-CB 3.46Å; E40-Y44 PolarHBondContact O-N 3.08Å
41	K	97.3	Very high	96.2	Very high	104 Å²	104	105.6 Å²	105.6	45%	0.452	52%	0.518	S	S	.	.	H	α-helix	trans	-58.9	-42.6	176.4	173.8	-172	171.9	-164.9	0	112.2	R37 E38 L45	R37-K41 WeakPolarHBondContact O-CB 3.35Å; R37-K41 PolarHBondContact O-N 3.26Å; E38-K41 VanDerWaalsContact CD-NZ 3.25Å; E38-K41 PolarHBondContact O-N 3.4Å; E38-K41 WeakPolarHBondContact OE1-CD 3.46Å; E38-K41 IonicContact OE1-NZ 2.78Å; E38-K41 PolarHBondContact OE1-NZ 2.95Å; E38-K41 IonicContact OE2-NZ 3.53Å; E38-K41 PolarHBondContact OE2-NZ 2.89Å; K41-L45 HydrophobicContact CG-CD1 4.14Å; K41-L45 WeakPolarHBondContact O-CB 3.3Å; K41-L45 VanDerWaalsContact O-CG 3.25Å; K41-L45 WeakPolarHBondContact O-CG 3.38Å; K41-L45 PolarHBondContact O-N 3.26Å
42	V	96.7	Very high	95.9	Very high	99 Å²	99	106.9 Å²	106.9	60%	0.6	53%	0.527	S	S	*	.	H	α-helix	trans	-64	-43.9	174.5	170.6	0	0	0	0	111	E38 A39 E40 L45 A46	E38-V42 WeakPolarHBondContact O-CG2 3.24Å; E38-V42 PolarHBondContact O-N 3.28Å; A39-V42 PolarHBondContact O-N 3.03Å; E40-V42 VanDerWaalsContact C-N 3.34Å; E40-V42 PolarHBondContact O-N 3.27Å; V42-L45 PolarHBondContact O-N 3.44Å; V42-A46 WeakPolarHBondContact O-CB 3.28Å; V42-A46 PolarHBondContact O-N 2.93Å
43	R	97.1	Very high	95.4	Very high	158 Å²	158	110.5 Å²	110.5	60%	0.596	54%	0.544	S	S	*	.	H	α-helix	trans	-60.6	-50	177.2	-173.2	177.4	73.7	-170.2	9	111.9	A39 E40 L45 A46 E47	A39-R43 PolarHBondContact O-N 3.44Å; E40-R43 WeakPolarHBondContact O-CB 3.47Å; E40-R43 PolarHBondContact O-N 2.94Å; E40-R43 VanDerWaalsContact O-N 3.16Å; E40-R43 IonicContact OE1-CZ 2.77Å; E40-R43 IonicContact OE1-NE 3Å; E40-R43 PolarHBondContact OE1-NE 3.43Å; E40-R43 IonicContact OE1-NH2 2.59Å; E40-R43 PolarHBondContact OE1-NH2 3.07Å; E40-R43 IonicContact OE2-CZ 2.94Å; E40-R43 IonicContact OE2-NE 2.65Å; E40-R43 IonicContact OE2-NH1 2.64Å; E40-R43 IonicContact OE2-NH2 3.76Å; E40-R43 PolarHBondContact OE2-NH2 3.03Å; R43-L45 PolarHBondContact O-N 2.78Å; R43-A46 PolarHBondContact O-N 2.98Å; R43-E47 PolarHBondContact O-N 3.41Å; R43-E47 VanDerWaalsContact O-N 3.1Å
44	Y	97.1	Very high	95.1	Very high	115 Å²	115	109.5 Å²	109.5	45%	0.451	55%	0.545	S	S	.	.	H	α-helix	trans	-59.6	-44.4	178.6	178.5	-94.3	0	0	0	112.3	E40 E47 R48	E40-Y44 WeakPolarHBondContact O-CB 3.46Å; E40-Y44 PolarHBondContact O-N 3.08Å; Y44-E47 PolarHBondContact O-N 2.84Å; Y44-R48 HydrophobicContact CD1-CG 4.29Å; Y44-R48 HydrophobicContact CD2-CG 4.37Å; Y44-R48 HydrophobicContact CE1-CG 3.89Å; Y44-R48 HydrophobicContact CE2-CG 4Å; Y44-R48 WeakPolarHBondContact O-CB 3.44Å; Y44-R48 WeakPolarHBondContact O-CG 3.33Å; Y44-R48 PolarHBondContact O-N 2.73Å
45	L	96	Very high	94.8	Very high	81 Å²	81	117 Å²	117	42%	0.424	57%	0.569	S	S	.	*	H	α-helix	trans	-67.9	-36.3	177.6	-71.2	172.9	0	0	0	112.4	K41 V42 R43 E47 R48 I49	K41-L45 HydrophobicContact CG-CD1 4.14Å; K41-L45 WeakPolarHBondContact O-CB 3.3Å; K41-L45 VanDerWaalsContact O-CG 3.25Å; K41-L45 WeakPolarHBondContact O-CG 3.38Å; K41-L45 PolarHBondContact O-N 3.26Å; V42-L45 PolarHBondContact O-N 3.44Å; R43-L45 PolarHBondContact O-N 2.78Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.37Å; L45-R48 PolarHBondContact O-N 3.38Å; L45-I49 HydrophobicContact CD2-CD1 4.18Å; L45-I49 CarbonylContact O-C 3.57Å; L45-I49 WeakPolarHBondContact O-CA 3.19Å; L45-I49 WeakPolarHBondContact O-CB 3.3Å; L45-I49 PolarHBondContact O-N 2.82Å
46	A	95.3	Very high	94.5	Very high	64 Å²	64	114.4 Å²	114.4	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-66.3	-33.6	176.3	0	0	0	0	0	112.9	V42 R43	V42-A46 WeakPolarHBondContact O-CB 3.28Å; V42-A46 PolarHBondContact O-N 2.93Å; R43-A46 PolarHBondContact O-N 2.98Å
47	E	95	Very high	94.4	Very high	154 Å²	154	112.6 Å²	112.6	72%	0.72	58%	0.575	S	S	*	*	H	α-helix	trans	-73.6	-46.2	174	-174.2	-178	169.5	0	0	112	R43 Y44 L45	R43-E47 PolarHBondContact O-N 3.41Å; R43-E47 VanDerWaalsContact O-N 3.1Å; Y44-E47 PolarHBondContact O-N 2.84Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.37Å
48	R	93.8	Very high	94.3	Very high	137 Å²	137	109.6 Å²	109.6	52%	0.517	57%	0.574	S	S	.	*	H	α-helix	trans	-77.9	-29.2	-175.9	-68.4	-72.8	-67.5	-130.1	-4.6	113.9	Y44 L45	Y44-R48 HydrophobicContact CD1-CG 4.29Å; Y44-R48 HydrophobicContact CD2-CG 4.37Å; Y44-R48 HydrophobicContact CE1-CG 3.89Å; Y44-R48 HydrophobicContact CE2-CG 4Å; Y44-R48 WeakPolarHBondContact O-CB 3.44Å; Y44-R48 WeakPolarHBondContact O-CG 3.33Å; Y44-R48 PolarHBondContact O-N 2.73Å; L45-R48 PolarHBondContact O-N 3.38Å
49	I	92.1	Very high	94.2	Very high	120 Å²	120	111.9 Å²	111.9	62%	0.615	59%	0.589	S	S	*	*	S	Bend	trans	-132	71.1	-175.9	-45.7	180	0	0	0	108.7	L45	L45-I49 HydrophobicContact CD2-CD1 4.18Å; L45-I49 CarbonylContact O-C 3.57Å; L45-I49 WeakPolarHBondContact O-CA 3.19Å; L45-I49 WeakPolarHBondContact O-CB 3.3Å; L45-I49 PolarHBondContact O-N 2.82Å
50	P	90	Very high	94.1	Very high	84 Å²	84	112 Å²	112	55%	0.545	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-64	150.2	176.4	28.2	-35.5	0	0	0	111.1	L52	P50-L52 PolarHBondContact O-N 3.49Å; P50-L52 VanDerWaalsContact O-N 3.15Å
51	T	91.6	Very high	94	Very high	131 Å²	131	109.4 Å²	109.4	80%	0.804	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-56.3	118.9	179.5	-54.8	0	0	0	0	111.5	Q53	T51-Q53 PolarHBondContact O-N 3.49Å
52	L	90.6	Very high	94	Very high	106 Å²	106	107.2 Å²	107.2	56%	0.555	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-61.7	119.1	-178.8	-66.2	175.3	0	0	0	111.7	P50 L69	P50-L52 PolarHBondContact O-N 3.49Å; P50-L52 VanDerWaalsContact O-N 3.15Å; L52-L69 HydrophobicContact CD1-CD1 4.07Å; L52-L69 HydrophobicContact CD2-CD1 4.24Å; L52-L69 HydrophobicContact CD2-CD2 4.4Å
53	Q	87.8	Confident	94	Very high	169 Å²	169	107.4 Å²	107.4	79%	0.79	57%	0.567	S	S	*	*			trans	-99.8	96.9	174.5	-63.5	-171.4	3.9	0	0	110	T51	T51-Q53 PolarHBondContact O-N 3.49Å
54	T	92	Very high	94	Very high	74 Å²	74	103.3 Å²	103.3	45%	0.454	56%	0.557	S	S	.	*			trans	-95.7	-10	179.7	54.4	0	0	0	0	113.9	L62 L65	T54-L62 HydrophobicContact CG2-CD2 4.2Å; T54-L65 HydrophobicContact CG2-CD2 4.41Å
55	R	91.9	Very high	93.9	Very high	245 Å²	245	99.8 Å²	99.8	93%	0.925	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	129.8	-178.9	-65.3	-175.5	179.1	-170.5	-0.2	110.5	L57	R55-L57 VanDerWaalsContact C-N 3.3Å; R55-L57 PolarHBondContact O-N 3.15Å
56	G	91.6	Very high	93.9	Very high	90 Å²	90	100 Å²	100	93%	0.928	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.6	-1.9	178.9	0	0	0	0	0	115.1
57	L	94.6	Very high	94	Very high	69 Å²	69	104.4 Å²	104.4	36%	0.361	56%	0.556	S	S	.	*			trans	-71.7	143.3	170.8	-65.6	-179.5	0	0	0	111	R55 A61 L62 L65	R55-L57 VanDerWaalsContact C-N 3.3Å; R55-L57 PolarHBondContact O-N 3.15Å; L57-A61 HydrophobicContact CB-CB 4.29Å; L57-A61 HydrophobicContact CD2-CB 4.18Å; L57-L62 HydrophobicContact CB-CD1 4.49Å; L57-L62 HydrophobicContact CB-CD2 3.93Å; L57-L62 HydrophobicContact CB-CG 3.8Å; L57-L62 HydrophobicContact CD1-CD2 3.78Å; L57-L62 HydrophobicContact CD1-CG 4.39Å; L57-L62 HydrophobicContact CG-CD2 4.48Å; L57-L65 HydrophobicContact CD1-CD2 4.02Å
58	S	96.3	Very high	94	Very high	73 Å²	73	101.8 Å²	101.8	51%	0.51	54%	0.543	S	S	.	.			trans	-74.9	164.3	170.5	71.4	0	0	0	0	111.3	S60 A61 L62	S58-S60 VanDerWaalsContact C-N 3.28Å; S58-S60 PolarHBondContact O-N 3.1Å; S58-A61 PolarHBondContact O-N 3.31Å; S58-A61 PolarHBondContact OG-N 3Å; S58-L62 WeakPolarHBondContact O-CG 3.31Å; S58-L62 PolarHBondContact O-N 3.28Å
59	L	95.6	Very high	94.1	Very high	127 Å²	127	98.1 Å²	98.1	67%	0.665	53%	0.534	S	S	*	.	H	α-helix	trans	-56.1	-41	177.8	-179.6	61.7	0	0	0	112.6	L62 Q63	L59-L62 PolarHBondContact O-N 3.22Å; L59-Q63 WeakPolarHBondContact O-CG 3.48Å; L59-Q63 PolarHBondContact O-N 2.86Å
60	S	97	Very high	94.4	Very high	64 Å²	64	98.3 Å²	98.3	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-49.5	176	-168.4	0	0	0	0	111.1	S58 L62 Q63 D64	S58-S60 VanDerWaalsContact C-N 3.28Å; S58-S60 PolarHBondContact O-N 3.1Å; S60-L62 PolarHBondContact O-N 3.36Å; S60-Q63 WeakPolarHBondContact O-CA 3.43Å; S60-Q63 WeakPolarHBondContact O-CB 3.36Å; S60-Q63 PolarHBondContact O-N 2.94Å; S60-D64 VanDerWaalsContact O-CG 3.26Å; S60-D64 PolarHBondContact O-N 3.44Å; S60-D64 PolarHBondContact OG-OD2 3.49Å
61	A	95.7	Very high	94.7	Very high	34 Å²	34	96.6 Å²	96.6	28%	0.281	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-32.4	-179.1	0	0	0	0	0	112.6	L57 S58 L65	L57-A61 HydrophobicContact CB-CB 4.29Å; L57-A61 HydrophobicContact CD2-CB 4.18Å; S58-A61 PolarHBondContact O-N 3.31Å; S58-A61 PolarHBondContact OG-N 3Å; A61-L65 VanDerWaalsContact O-CB 3.31Å; A61-L65 WeakPolarHBondContact O-CB 3.33Å; A61-L65 PolarHBondContact O-N 2.95Å
62	L	96.1	Very high	95	Very high	58 Å²	58	95.6 Å²	95.6	30%	0.304	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-42.2	171.3	-71.8	167.4	0	0	0	112.2	T54 L57 S58 L59 S60 D64 L65 C66	T54-L62 HydrophobicContact CG2-CD2 4.2Å; L57-L62 HydrophobicContact CB-CD1 4.49Å; L57-L62 HydrophobicContact CB-CD2 3.93Å; L57-L62 HydrophobicContact CB-CG 3.8Å; L57-L62 HydrophobicContact CD1-CD2 3.78Å; L57-L62 HydrophobicContact CD1-CG 4.39Å; L57-L62 HydrophobicContact CG-CD2 4.48Å; S58-L62 WeakPolarHBondContact O-CG 3.31Å; S58-L62 PolarHBondContact O-N 3.28Å; L59-L62 PolarHBondContact O-N 3.22Å; S60-L62 PolarHBondContact O-N 3.36Å; L62-D64 VanDerWaalsContact C-N 3.35Å; L62-L65 PolarHBondContact O-N 3.1Å; L62-C66 WeakPolarHBondContact O-CB 3.39Å; L62-C66 PolarHBondContact O-N 3.44Å; L62-C66 PolarHBondContact O-SG 3.25Å
63	Q	96.9	Very high	95.3	Very high	102 Å²	102	95.3 Å²	95.3	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175.4	-72	173.1	-14	0	0	112.2	L59 S60 R67	L59-Q63 WeakPolarHBondContact O-CG 3.48Å; L59-Q63 PolarHBondContact O-N 2.86Å; S60-Q63 WeakPolarHBondContact O-CA 3.43Å; S60-Q63 WeakPolarHBondContact O-CB 3.36Å; S60-Q63 PolarHBondContact O-N 2.94Å; Q63-R67 WeakPolarHBondContact O-CG 3.34Å; Q63-R67 PolarHBondContact O-N 2.97Å; Q63-R67 VanDerWaalsContact O-N 3.12Å
64	D	96.6	Very high	95.8	Very high	73 Å²	73	92.9 Å²	92.9	39%	0.39	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-47.9	175.6	-63.4	-37.4	0	0	0	111.2	S60 L62 C66 R67 E68	S60-D64 VanDerWaalsContact O-CG 3.26Å; S60-D64 PolarHBondContact O-N 3.44Å; S60-D64 PolarHBondContact OG-OD2 3.49Å; L62-D64 VanDerWaalsContact C-N 3.35Å; D64-C66 VanDerWaalsContact C-N 3.34Å; D64-C66 PolarHBondContact O-N 3.03Å; D64-R67 PolarHBondContact O-N 3.02Å; D64-R67 VanDerWaalsContact O-N 3.14Å; D64-R67 IonicContact OD1-CZ 3.01Å; D64-R67 IonicContact OD1-NE 3.59Å; D64-R67 IonicContact OD1-NH2 2.97Å; D64-R67 PolarHBondContact OD1-NH2 3.46Å; D64-E68 PolarHBondContact O-N 2.63Å
65	L	95.2	Very high	96	Very high	40 Å²	40	93.1 Å²	93.1	21%	0.209	50%	0.501	C	S	.	.	H	α-helix	trans	-58.5	-42.3	174.6	178.2	62.6	0	0	0	112.3	T54 L57 A61 L62 R67 E68 L69	T54-L65 HydrophobicContact CG2-CD2 4.41Å; L57-L65 HydrophobicContact CD1-CD2 4.02Å; A61-L65 VanDerWaalsContact O-CB 3.31Å; A61-L65 WeakPolarHBondContact O-CB 3.33Å; A61-L65 PolarHBondContact O-N 2.95Å; L62-L65 PolarHBondContact O-N 3.1Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.46Å; L65-E68 PolarHBondContact O-N 2.68Å; L65-L69 HydrophobicContact CD1-CD1 4.04Å; L65-L69 HydrophobicContact CD1-CG 4.08Å; L65-L69 HydrophobicContact CG-CD1 4Å; L65-L69 HydrophobicContact CG-CG 4.43Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.18Å
66	C	96.1	Very high	96.3	Very high	85 Å²	85	85.1 Å²	85.1	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-62.5	-39.3	176.2	-74.4	0	0	0	0	112.4	L62 D64 H70	L62-C66 WeakPolarHBondContact O-CB 3.39Å; L62-C66 PolarHBondContact O-N 3.44Å; L62-C66 PolarHBondContact O-SG 3.25Å; D64-C66 VanDerWaalsContact C-N 3.34Å; D64-C66 PolarHBondContact O-N 3.03Å; C66-H70 WeakPolarHBondContact O-CB 3.45Å; C66-H70 PolarHBondContact O-N 2.83Å; C66-H70 VanDerWaalsContact O-N 3.07Å
67	R	97.6	Very high	96.6	Very high	158 Å²	158	84.7 Å²	84.7	60%	0.596	46%	0.456	S	S	*	.	H	α-helix	trans	-67.6	-42.8	175.7	-73.4	-175.4	-76.2	-158.7	-0.1	111.9	Q63 D64 L65 H70 A71	Q63-R67 WeakPolarHBondContact O-CG 3.34Å; Q63-R67 PolarHBondContact O-N 2.97Å; Q63-R67 VanDerWaalsContact O-N 3.12Å; D64-R67 PolarHBondContact O-N 3.02Å; D64-R67 VanDerWaalsContact O-N 3.14Å; D64-R67 IonicContact OD1-CZ 3.01Å; D64-R67 IonicContact OD1-NE 3.59Å; D64-R67 IonicContact OD1-NH2 2.97Å; D64-R67 PolarHBondContact OD1-NH2 3.46Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.46Å; R67-H70 PolarHBondContact O-N 3.16Å; R67-A71 PolarHBondContact O-N 3.13Å; R67-A71 VanDerWaalsContact O-N 3.1Å
68	E	95.8	Very high	96.8	Very high	98 Å²	98	88.2 Å²	88.2	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-45	176.8	-169	-168.8	150.2	0	0	111.9	D64 L65 A71 K72	D64-E68 PolarHBondContact O-N 2.63Å; L65-E68 PolarHBondContact O-N 2.68Å; E68-A71 PolarHBondContact O-N 3.49Å; E68-K72 HydrophobicContact CG-CD 4.43Å; E68-K72 WeakPolarHBondContact O-CB 3.47Å; E68-K72 WeakPolarHBondContact O-CG 3.23Å; E68-K72 PolarHBondContact O-N 2.91Å; E68-K72 WeakPolarHBondContact OE1-CE 3.32Å; E68-K72 IonicContact OE1-NZ 3.79Å; E68-K72 PolarHBondContact OE1-NZ 2.97Å
69	L	95.9	Very high	96.9	Very high	61 Å²	61	89.2 Å²	89.2	32%	0.319	47%	0.468	S	S	.	.	H	α-helix	trans	-64.2	-39.1	177	-71.4	173.3	0	0	0	112	L52 L65 K72 V73	L52-L69 HydrophobicContact CD1-CD1 4.07Å; L52-L69 HydrophobicContact CD2-CD1 4.24Å; L52-L69 HydrophobicContact CD2-CD2 4.4Å; L65-L69 HydrophobicContact CD1-CD1 4.04Å; L65-L69 HydrophobicContact CD1-CG 4.08Å; L65-L69 HydrophobicContact CG-CD1 4Å; L65-L69 HydrophobicContact CG-CG 4.43Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.18Å; L69-K72 PolarHBondContact O-N 3.35Å; L69-V73 WeakPolarHBondContact O-CG2 3.27Å; L69-V73 PolarHBondContact O-N 2.96Å
70	H	97.4	Very high	97	Very high	123 Å²	123	88.6 Å²	88.6	57%	0.569	46%	0.456	S	S	*	.	H	α-helix	trans	-61.7	-49.5	176.2	-166.4	-75.5	0	0	0	111.8	C66 R67 K72 V73 E74	C66-H70 WeakPolarHBondContact O-CB 3.45Å; C66-H70 PolarHBondContact O-N 2.83Å; C66-H70 VanDerWaalsContact O-N 3.07Å; R67-H70 PolarHBondContact O-N 3.16Å; H70-K72 VanDerWaalsContact C-N 3.3Å; H70-K72 PolarHBondContact O-N 2.97Å; H70-V73 PolarHBondContact O-N 3.28Å; H70-V73 VanDerWaalsContact O-N 3.12Å; H70-E74 IonicContact CE1-OE1 3.22Å; H70-E74 PolarHBondContact CE1-OE1 2.64Å; H70-E74 IonicContact ND1-OE1 2.68Å; H70-E74 PolarHBondContact ND1-OE1 2.94Å; H70-E74 PolarHBondContact O-N 2.96Å
71	A	97.7	Very high	97.1	Very high	49 Å²	49	92.9 Å²	92.9	41%	0.405	46%	0.464	S	S	.	.	H	α-helix	trans	-61.5	-37.2	177.4	0	0	0	0	0	112.3	R67 E68 E74 V75	R67-A71 PolarHBondContact O-N 3.13Å; R67-A71 VanDerWaalsContact O-N 3.1Å; E68-A71 PolarHBondContact O-N 3.49Å; A71-E74 PolarHBondContact O-N 3Å; A71-V75 PolarHBondContact O-N 2.99Å
72	K	96.4	Very high	97.2	Very high	110 Å²	110	95 Å²	95	48%	0.478	47%	0.47	S	S	.	.	H	α-helix	trans	-65.4	-36.2	173.8	-76.8	176.9	179.9	176.2	0	113.1	E68 L69 H70 V76	E68-K72 HydrophobicContact CG-CD 4.43Å; E68-K72 WeakPolarHBondContact O-CB 3.47Å; E68-K72 WeakPolarHBondContact O-CG 3.23Å; E68-K72 PolarHBondContact O-N 2.91Å; E68-K72 WeakPolarHBondContact OE1-CE 3.32Å; E68-K72 IonicContact OE1-NZ 3.79Å; E68-K72 PolarHBondContact OE1-NZ 2.97Å; L69-K72 PolarHBondContact O-N 3.35Å; H70-K72 VanDerWaalsContact C-N 3.3Å; H70-K72 PolarHBondContact O-N 2.97Å; K72-V76 WeakPolarHBondContact O-CB 3.35Å; K72-V76 VanDerWaalsContact O-CG2 3.27Å; K72-V76 WeakPolarHBondContact O-CG2 3.42Å; K72-V76 PolarHBondContact O-N 3.01Å
73	V	97.1	Very high	97.3	Very high	100 Å²	100	97.1 Å²	97.1	61%	0.606	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-41	177.3	166.4	0	0	0	0	111.2	L69 H70 V76 D77	L69-V73 WeakPolarHBondContact O-CG2 3.27Å; L69-V73 PolarHBondContact O-N 2.96Å; H70-V73 PolarHBondContact O-N 3.28Å; H70-V73 VanDerWaalsContact O-N 3.12Å; V73-V76 PolarHBondContact O-N 3.33Å; V73-D77 WeakPolarHBondContact O-CB 3.43Å; V73-D77 PolarHBondContact O-N 3.31Å
74	E	97.8	Very high	97.3	Very high	117 Å²	117	96.8 Å²	96.8	55%	0.547	48%	0.479	S	S	.	.	H	α-helix	trans	-58.9	-50.7	176.4	-68.6	170.5	-169.1	0	0	111.5	H70 A71 V76 D77 E78	H70-E74 IonicContact CE1-OE1 3.22Å; H70-E74 PolarHBondContact CE1-OE1 2.64Å; H70-E74 IonicContact ND1-OE1 2.68Å; H70-E74 PolarHBondContact ND1-OE1 2.94Å; H70-E74 PolarHBondContact O-N 2.96Å; A71-E74 PolarHBondContact O-N 3Å; E74-V76 PolarHBondContact O-N 3.14Å; E74-D77 PolarHBondContact O-N 2.72Å; E74-E78 PolarHBondContact O-N 2.88Å; E74-E78 VanDerWaalsContact O-N 3.11Å
75	V	97.6	Very high	97.4	Very high	79 Å²	79	95.3 Å²	95.3	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-43.6	178.2	177.2	0	0	0	0	111.9	A71 D77 E78 E79	A71-V75 PolarHBondContact O-N 2.99Å; V75-D77 PolarHBondContact O-N 3.38Å; V75-E78 PolarHBondContact O-N 3.43Å; V75-E79 WeakPolarHBondContact O-CG 3.4Å; V75-E79 PolarHBondContact O-N 2.76Å
76	V	97.6	Very high	97.6	Very high	78 Å²	78	98.8 Å²	98.8	47%	0.473	49%	0.491	S	S	.	.	H	α-helix	trans	-70	-31.4	-178.9	170.9	0	0	0	0	112.1	K72 V73 E74 R80	K72-V76 WeakPolarHBondContact O-CB 3.35Å; K72-V76 VanDerWaalsContact O-CG2 3.27Å; K72-V76 WeakPolarHBondContact O-CG2 3.42Å; K72-V76 PolarHBondContact O-N 3.01Å; V73-V76 PolarHBondContact O-N 3.33Å; E74-V76 PolarHBondContact O-N 3.14Å; V76-R80 VanDerWaalsContact O-CB 3.24Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 PolarHBondContact O-N 3.07Å
77	D	98.3	Very high	97.7	Very high	81 Å²	81	98.1 Å²	98.1	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-72.8	-34.7	174.6	-161.5	56.4	0	0	0	112.2	V73 E74 V75 R80 Y81	V73-D77 WeakPolarHBondContact O-CB 3.43Å; V73-D77 PolarHBondContact O-N 3.31Å; E74-D77 PolarHBondContact O-N 2.72Å; V75-D77 PolarHBondContact O-N 3.38Å; D77-R80 PolarHBondContact O-N 3.12Å; D77-R80 IonicContact OD1-CZ 2.6Å; D77-R80 IonicContact OD1-NE 3.18Å; D77-R80 PolarHBondContact OD1-NE 3.42Å; D77-R80 IonicContact OD1-NH2 3.18Å; D77-R80 PolarHBondContact OD1-NH2 3.05Å; D77-R80 IonicContact OD2-NH2 3.98Å; D77-Y81 WeakPolarHBondContact O-CB 3.25Å; D77-Y81 PolarHBondContact O-N 3.14Å
78	E	98	Very high	97.7	Very high	143 Å²	143	94.2 Å²	94.2	67%	0.668	48%	0.477	S	S	*	.	H	α-helix	trans	-61.7	-51.6	169.4	-173.8	176.6	-169.3	0	0	111	E74 V75 R80 Y81 D82	E74-E78 PolarHBondContact O-N 2.88Å; E74-E78 VanDerWaalsContact O-N 3.11Å; V75-E78 PolarHBondContact O-N 3.43Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 2.94Å; E78-Y81 PolarHBondContact O-N 3.1Å; E78-D82 WeakPolarHBondContact O-CB 3.47Å; E78-D82 PolarHBondContact O-N 2.72Å
79	E	98	Very high	97.8	Very high	94 Å²	94	94.9 Å²	94.9	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-55	-42.8	174.3	-73.2	-176.6	167.2	0	0	111.8	V75 D82 I83	V75-E79 WeakPolarHBondContact O-CG 3.4Å; V75-E79 PolarHBondContact O-N 2.76Å; E79-D82 PolarHBondContact O-N 3.26Å; E79-I83 WeakPolarHBondContact O-CD1 3.31Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.17Å; E79-I83 PolarHBondContact O-N 2.92Å
80	R	98.4	Very high	97.9	Very high	114 Å²	114	96 Å²	96	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-45.9	177.9	-174.6	-163.5	63.8	65.9	6.5	111.6	V76 D77 E78 D82 I83 E84	V76-R80 VanDerWaalsContact O-CB 3.24Å; V76-R80 WeakPolarHBondContact O-CB 3.38Å; V76-R80 PolarHBondContact O-N 3.07Å; D77-R80 PolarHBondContact O-N 3.12Å; D77-R80 IonicContact OD1-CZ 2.6Å; D77-R80 IonicContact OD1-NE 3.18Å; D77-R80 PolarHBondContact OD1-NE 3.42Å; D77-R80 IonicContact OD1-NH2 3.18Å; D77-R80 PolarHBondContact OD1-NH2 3.05Å; D77-R80 IonicContact OD2-NH2 3.98Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 2.94Å; R80-D82 VanDerWaalsContact C-N 3.3Å; R80-D82 PolarHBondContact O-N 2.93Å; R80-I83 PolarHBondContact O-N 2.76Å; R80-E84 IonicContact CZ-OE2 2.72Å; R80-E84 IonicContact NH1-OE2 2.72Å; R80-E84 PolarHBondContact NH1-OE2 3.29Å; R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 PolarHBondContact O-N 3.17Å
81	Y	98.3	Very high	98	Very high	153 Å²	153	94.4 Å²	94.4	60%	0.6	49%	0.485	S	S	*	.	H	α-helix	trans	-59.5	-43.3	177.2	178.3	-92.9	0	0	0	111.2	D77 E78 E84 A85	D77-Y81 WeakPolarHBondContact O-CB 3.25Å; D77-Y81 PolarHBondContact O-N 3.14Å; E78-Y81 PolarHBondContact O-N 3.1Å; Y81-E84 WeakPolarHBondContact O-CB 3.38Å; Y81-E84 PolarHBondContact O-N 3.23Å; Y81-A85 WeakPolarHBondContact O-CB 3.37Å; Y81-A85 PolarHBondContact O-N 3.44Å
82	D	98.3	Very high	98	Very high	78 Å²	78	99.6 Å²	99.6	42%	0.417	49%	0.494	S	S	.	.	H	α-helix	trans	-67.4	-38	-178.5	-136.9	46.9	0	0	0	112.3	E78 E79 R80 K86	E78-D82 WeakPolarHBondContact O-CB 3.47Å; E78-D82 PolarHBondContact O-N 2.72Å; E79-D82 PolarHBondContact O-N 3.26Å; R80-D82 VanDerWaalsContact C-N 3.3Å; R80-D82 PolarHBondContact O-N 2.93Å; D82-K86 VanDerWaalsContact O-CD 3.28Å; D82-K86 WeakPolarHBondContact O-CD 3.36Å; D82-K86 VanDerWaalsContact O-CG 3.28Å; D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 3.32Å; D82-K86 IonicContact OD2-NZ 2.66Å; D82-K86 PolarHBondContact OD2-NZ 3.42Å
83	I	98.2	Very high	98.1	Very high	104 Å²	104	99.2 Å²	99.2	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-67.9	-41.9	171.7	-68.9	165	0	0	0	111	E79 R80 K86 C87	E79-I83 WeakPolarHBondContact O-CD1 3.31Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.17Å; E79-I83 PolarHBondContact O-N 2.92Å; R80-I83 PolarHBondContact O-N 2.76Å; I83-K86 PolarHBondContact O-N 3.12Å; I83-C87 WeakPolarHBondContact O-CB 3.41Å; I83-C87 PolarHBondContact O-N 3.44Å; I83-C87 PolarHBondContact O-SG 2.87Å; I83-C87 VanDerWaalsContact O-SG 3.38Å
84	E	98.1	Very high	98.1	Very high	94 Å²	94	98.5 Å²	98.5	44%	0.439	49%	0.486	S	S	.	.	H	α-helix	trans	-61.5	-44	176.5	-178.8	169.6	-162.9	0	0	111.3	R80 Y81 K86 C87 L88	R80-E84 IonicContact CZ-OE2 2.72Å; R80-E84 IonicContact NH1-OE2 2.72Å; R80-E84 PolarHBondContact NH1-OE2 3.29Å; R80-E84 WeakPolarHBondContact O-CB 3.37Å; R80-E84 PolarHBondContact O-N 3.17Å; Y81-E84 WeakPolarHBondContact O-CB 3.38Å; Y81-E84 PolarHBondContact O-N 3.23Å; E84-K86 PolarHBondContact O-N 3.46Å; E84-C87 PolarHBondContact O-N 2.96Å; E84-L88 HydrophobicContact CG-CD1 4.09Å; E84-L88 HydrophobicContact CG-CG 4.45Å; E84-L88 WeakPolarHBondContact O-CB 3.42Å; E84-L88 VanDerWaalsContact O-CG 3.3Å; E84-L88 WeakPolarHBondContact O-CG 3.23Å; E84-L88 PolarHBondContact O-N 2.94Å
85	A	98.3	Very high	98.1	Very high	43 Å²	43	99.5 Å²	99.5	36%	0.355	49%	0.489	S	S	.	.	H	α-helix	trans	-59.3	-43.7	175.6	0	0	0	0	0	112.4	Y81 L88 H89	Y81-A85 WeakPolarHBondContact O-CB 3.37Å; Y81-A85 PolarHBondContact O-N 3.44Å; A85-L88 PolarHBondContact O-N 3.05Å; A85-H89 PolarHBondContact O-N 2.93Å
86	K	98.4	Very high	98	Very high	113 Å²	113	99.6 Å²	99.6	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-45.3	175.2	-69.2	158.9	-165.9	153.2	0	111.4	D82 I83 E84 L88 H89 N90	D82-K86 VanDerWaalsContact O-CD 3.28Å; D82-K86 WeakPolarHBondContact O-CD 3.36Å; D82-K86 VanDerWaalsContact O-CG 3.28Å; D82-K86 WeakPolarHBondContact O-CG 3.45Å; D82-K86 PolarHBondContact O-N 3.32Å; D82-K86 IonicContact OD2-NZ 2.66Å; D82-K86 PolarHBondContact OD2-NZ 3.42Å; I83-K86 PolarHBondContact O-N 3.12Å; E84-K86 PolarHBondContact O-N 3.46Å; K86-L88 PolarHBondContact O-N 2.99Å; K86-H89 WeakPolarHBondContact O-CB 3.35Å; K86-H89 PolarHBondContact O-N 2.65Å; K86-N90 VanDerWaalsContact O-CG 3.29Å; K86-N90 PolarHBondContact O-N 2.68Å; K86-N90 PolarHBondContact O-OD1 3.08Å
87	C	98.4	Very high	98	Very high	70 Å²	70	99.8 Å²	99.8	47%	0.473	48%	0.484	S	S	.	.	H	α-helix	trans	-61.4	-40.2	175.2	-74.7	0	0	0	0	112.7	I83 E84 T91	I83-C87 WeakPolarHBondContact O-CB 3.41Å; I83-C87 PolarHBondContact O-N 3.44Å; I83-C87 PolarHBondContact O-SG 2.87Å; I83-C87 VanDerWaalsContact O-SG 3.38Å; E84-C87 PolarHBondContact O-N 2.96Å; C87-T91 VanDerWaalsContact O-CB 3.31Å; C87-T91 WeakPolarHBondContact O-CB 3.19Å; C87-T91 PolarHBondContact O-N 2.96Å; C87-T91 PolarHBondContact O-OG1 3.39Å
88	L	98.1	Very high	97.7	Very high	77 Å²	77	102.4 Å²	102.4	40%	0.403	49%	0.492	S	S	.	.	H	α-helix	trans	-66.4	-40.3	175.3	-74.3	171.3	0	0	0	112.1	E84 A85 K86 T91 R92	E84-L88 HydrophobicContact CG-CD1 4.09Å; E84-L88 HydrophobicContact CG-CG 4.45Å; E84-L88 WeakPolarHBondContact O-CB 3.42Å; E84-L88 VanDerWaalsContact O-CG 3.3Å; E84-L88 WeakPolarHBondContact O-CG 3.23Å; E84-L88 PolarHBondContact O-N 2.94Å; A85-L88 PolarHBondContact O-N 3.05Å; K86-L88 PolarHBondContact O-N 2.99Å; L88-T91 PolarHBondContact O-N 3.46Å; L88-R92 VanDerWaalsContact O-CG 3.28Å; L88-R92 WeakPolarHBondContact O-CG 3.47Å; L88-R92 PolarHBondContact O-N 3.48Å
89	H	98.2	Very high	97.4	Very high	112 Å²	112	99.8 Å²	99.8	52%	0.519	48%	0.482	S	S	.	.	H	α-helix	trans	-58.9	-54.9	174.1	-177.3	85.5	0	0	0	111	A85 K86 T91 R92 E93	A85-H89 PolarHBondContact O-N 2.93Å; K86-H89 WeakPolarHBondContact O-CB 3.35Å; K86-H89 PolarHBondContact O-N 2.65Å; H89-T91 VanDerWaalsContact C-N 3.25Å; H89-T91 PolarHBondContact O-N 3.49Å; H89-R92 WeakPolarHBondContact O-CB 3.46Å; H89-R92 PolarHBondContact O-N 2.96Å; H89-E93 PolarHBondContact O-N 3.05Å
90	N	98.3	Very high	97.1	Very high	84 Å²	84	101.2 Å²	101.2	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-58.8	-38	178.9	-63.3	-2.7	0	0	0	111.6	K86 E93 I94	K86-N90 VanDerWaalsContact O-CG 3.29Å; K86-N90 PolarHBondContact O-N 2.68Å; K86-N90 PolarHBondContact O-OD1 3.08Å; N90-E93 PolarHBondContact O-N 3.31Å; N90-I94 WeakPolarHBondContact O-CB 3.38Å; N90-I94 WeakPolarHBondContact O-CD1 3.41Å; N90-I94 WeakPolarHBondContact O-CG1 3.39Å; N90-I94 PolarHBondContact O-N 2.8Å
91	T	98.3	Very high	96.7	Very high	90 Å²	90	99.8 Å²	99.8	55%	0.552	49%	0.491	S	S	*	.	H	α-helix	trans	-65.2	-39.1	177	-61.6	0	0	0	0	112.5	C87 L88 H89 K95	C87-T91 VanDerWaalsContact O-CB 3.31Å; C87-T91 WeakPolarHBondContact O-CB 3.19Å; C87-T91 PolarHBondContact O-N 2.96Å; C87-T91 PolarHBondContact O-OG1 3.39Å; L88-T91 PolarHBondContact O-N 3.46Å; H89-T91 VanDerWaalsContact C-N 3.25Å; H89-T91 PolarHBondContact O-N 3.49Å; T91-K95 WeakPolarHBondContact O-CB 3.44Å; T91-K95 PolarHBondContact O-N 3.47Å; T91-K95 VanDerWaalsContact O-N 3.1Å
92	R	98	Very high	96.1	Very high	157 Å²	157	98.1 Å²	98.1	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-66.1	-48.4	174.1	-67	167.4	-157.8	175	7.6	110.6	L88 H89 I94 K95 D96	L88-R92 VanDerWaalsContact O-CG 3.28Å; L88-R92 WeakPolarHBondContact O-CG 3.47Å; L88-R92 PolarHBondContact O-N 3.48Å; H89-R92 WeakPolarHBondContact O-CB 3.46Å; H89-R92 PolarHBondContact O-N 2.96Å; R92-I94 PolarHBondContact O-N 3.34Å; R92-K95 WeakPolarHBondContact O-CB 3.41Å; R92-K95 PolarHBondContact O-N 3.44Å; R92-K95 VanDerWaalsContact O-N 3.08Å; R92-D96 PolarHBondContact O-N 2.77Å
93	E	98	Very high	95.5	Very high	103 Å²	103	100.5 Å²	100.5	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-47.2	178.6	-170.8	-175.2	-160.4	0	0	111.6	H89 N90 K95 D96 L97	H89-E93 PolarHBondContact O-N 3.05Å; N90-E93 PolarHBondContact O-N 3.31Å; E93-K95 VanDerWaalsContact C-N 3.25Å; E93-K95 PolarHBondContact O-N 2.59Å; E93-D96 PolarHBondContact O-N 3.29Å; E93-D96 VanDerWaalsContact O-N 3.15Å; E93-L97 HydrophobicContact CG-CD1 3.92Å; E93-L97 HydrophobicContact CG-CG 4.25Å; E93-L97 WeakPolarHBondContact O-CB 3.42Å; E93-L97 VanDerWaalsContact O-CG 3.3Å; E93-L97 WeakPolarHBondContact O-CG 3.36Å; E93-L97 PolarHBondContact O-N 2.9Å
94	I	97.8	Very high	94.9	Very high	84 Å²	84	102.8 Å²	102.8	43%	0.431	52%	0.515	S	S	.	.	H	α-helix	trans	-58.7	-37.3	175.7	-72.2	166.3	0	0	0	111.5	N90 R92 K98	N90-I94 WeakPolarHBondContact O-CB 3.38Å; N90-I94 WeakPolarHBondContact O-CD1 3.41Å; N90-I94 WeakPolarHBondContact O-CG1 3.39Å; N90-I94 PolarHBondContact O-N 2.8Å; R92-I94 PolarHBondContact O-N 3.34Å; I94-K98 HydrophobicContact CG2-CD 3.96Å; I94-K98 VanDerWaalsContact O-CB 3.31Å; I94-K98 WeakPolarHBondContact O-CB 3.11Å; I94-K98 WeakPolarHBondContact O-CD 3.27Å; I94-K98 WeakPolarHBondContact O-CG 3.32Å; I94-K98 PolarHBondContact O-N 3Å
95	K	96.8	Very high	93.9	Very high	138 Å²	138	106.9 Å²	106.9	60%	0.6	53%	0.526	S	S	*	.	H	α-helix	trans	-66.6	-45.3	176.3	-178.4	-171.9	175	-169.8	0	111.2	T91 R92 E93 K98 L99	T91-K95 WeakPolarHBondContact O-CB 3.44Å; T91-K95 PolarHBondContact O-N 3.47Å; T91-K95 VanDerWaalsContact O-N 3.1Å; R92-K95 WeakPolarHBondContact O-CB 3.41Å; R92-K95 PolarHBondContact O-N 3.44Å; R92-K95 VanDerWaalsContact O-N 3.08Å; E93-K95 VanDerWaalsContact C-N 3.25Å; E93-K95 PolarHBondContact O-N 2.59Å; K95-K98 WeakPolarHBondContact O-CB 3.38Å; K95-K98 PolarHBondContact O-N 2.96Å; K95-L99 WeakPolarHBondContact O-CG 3.36Å; K95-L99 PolarHBondContact O-N 3.26Å
96	D	96.5	Very high	92.5	Very high	82 Å²	82	106.6 Å²	106.6	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-69.8	-38.7	-179	-65.9	-12.8	0	0	0	111.6	R92 E93 L99 K100	R92-D96 PolarHBondContact O-N 2.77Å; E93-D96 PolarHBondContact O-N 3.29Å; E93-D96 VanDerWaalsContact O-N 3.15Å; D96-L99 PolarHBondContact O-N 3.18Å; D96-K100 WeakPolarHBondContact O-CG 3.5Å; D96-K100 PolarHBondContact O-N 3.24Å
97	L	96.5	Very high	90.7	Very high	81 Å²	81	110.9 Å²	110.9	42%	0.424	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-41.7	170.6	-70.2	174.1	0	0	0	111.6	E93 L99 K100 V101	E93-L97 HydrophobicContact CG-CD1 3.92Å; E93-L97 HydrophobicContact CG-CG 4.25Å; E93-L97 WeakPolarHBondContact O-CB 3.42Å; E93-L97 VanDerWaalsContact O-CG 3.3Å; E93-L97 WeakPolarHBondContact O-CG 3.36Å; E93-L97 PolarHBondContact O-N 2.9Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 2.99Å; L97-K100 PolarHBondContact O-N 3.07Å; L97-V101 WeakPolarHBondContact O-CB 3.42Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.48Å; L97-V101 PolarHBondContact O-N 2.94Å
98	K	93.1	Very high	88.8	Confident	137 Å²	137	115.8 Å²	115.8	60%	0.596	56%	0.56	S	S	*	*	H	α-helix	trans	-60.6	-40.2	173.8	-80.2	167.4	-179	170.7	0	112.2	I94 K95 M102	I94-K98 HydrophobicContact CG2-CD 3.96Å; I94-K98 VanDerWaalsContact O-CB 3.31Å; I94-K98 WeakPolarHBondContact O-CB 3.11Å; I94-K98 WeakPolarHBondContact O-CD 3.27Å; I94-K98 WeakPolarHBondContact O-CG 3.32Å; I94-K98 PolarHBondContact O-N 3Å; K95-K98 WeakPolarHBondContact O-CB 3.38Å; K95-K98 PolarHBondContact O-N 2.96Å; K98-M102 WeakPolarHBondContact O-CG 3.47Å; K98-M102 PolarHBondContact O-N 3.47Å
99	L	90.9	Very high	87	Confident	87 Å²	87	121.1 Å²	121.1	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-64.3	-51.5	174.7	-70.1	171.1	0	0	0	111.2	K95 D96 L97 V101 M102 D103	K95-L99 WeakPolarHBondContact O-CG 3.36Å; K95-L99 PolarHBondContact O-N 3.26Å; D96-L99 PolarHBondContact O-N 3.18Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 2.99Å; L99-V101 VanDerWaalsContact C-N 3.29Å; L99-V101 PolarHBondContact O-N 2.91Å; L99-M102 WeakPolarHBondContact O-CA 3.28Å; L99-M102 WeakPolarHBondContact O-CB 3.32Å; L99-M102 PolarHBondContact O-N 3.36Å; L99-D103 PolarHBondContact O-N 3.44Å
100	K	91.7	Very high	85.1	Confident	125 Å²	125	125.1 Å²	125.1	54%	0.543	59%	0.59	S	S	.	*	H	α-helix	trans	-54.3	-43.5	175.4	-70.6	169.1	-177.7	174.6	0	112.2	D96 L97 M102 D103 L104	D96-K100 WeakPolarHBondContact O-CG 3.5Å; D96-K100 PolarHBondContact O-N 3.24Å; L97-K100 PolarHBondContact O-N 3.07Å; K100-M102 PolarHBondContact O-N 3.47Å; K100-D103 PolarHBondContact O-N 2.92Å; K100-L104 VanDerWaalsContact O-CB 3.32Å; K100-L104 WeakPolarHBondContact O-CB 3.29Å; K100-L104 VanDerWaalsContact O-CG 3.23Å; K100-L104 WeakPolarHBondContact O-CG 3.41Å; K100-L104 PolarHBondContact O-N 3.49Å
101	V	90.6	Very high	83.5	Confident	84 Å²	84	126 Å²	126	51%	0.509	60%	0.601	S	S	.	*	H	α-helix	trans	-63.8	-38	175.5	167.6	0	0	0	0	111.9	L97 L99 R105	L97-V101 WeakPolarHBondContact O-CB 3.42Å; L97-V101 VanDerWaalsContact O-CG2 3.27Å; L97-V101 WeakPolarHBondContact O-CG2 3.48Å; L97-V101 PolarHBondContact O-N 2.94Å; L99-V101 VanDerWaalsContact C-N 3.29Å; L99-V101 PolarHBondContact O-N 2.91Å; V101-R105 WeakPolarHBondContact O-CB 3Å; V101-R105 PolarHBondContact O-N 3Å
102	M	85.9	Confident	82	Confident	117 Å²	117	127 Å²	127	58%	0.576	61%	0.609	S	S	*	*	H	α-helix	trans	-66	-40.4	175.4	-76.4	-175.4	62.9	0	0	112.6	K98 L99 K100	K98-M102 WeakPolarHBondContact O-CG 3.47Å; K98-M102 PolarHBondContact O-N 3.47Å; L99-M102 WeakPolarHBondContact O-CA 3.28Å; L99-M102 WeakPolarHBondContact O-CB 3.32Å; L99-M102 PolarHBondContact O-N 3.36Å; K100-M102 PolarHBondContact O-N 3.47Å
103	D	85.4	Confident	80.5	Confident	129 Å²	129	126.6 Å²	126.6	69%	0.69	62%	0.618	S	S	*	*	H	α-helix	trans	-69.6	-44.8	178.2	-64.6	-32.4	0	0	0	111.3	L99 K100 R105 G106	L99-D103 PolarHBondContact O-N 3.44Å; K100-D103 PolarHBondContact O-N 2.92Å; D103-R105 PolarHBondContact O-N 3.17Å; D103-G106 PolarHBondContact O-N 3.4Å; D103-G106 VanDerWaalsContact O-N 3.13Å
104	L	85.7	Confident	79.3	Confident	151 Å²	151	132.1 Å²	132.1	79%	0.791	63%	0.634	S	S	*	*	H	α-helix	trans	-66.5	-33.7	177.7	-72.1	172.1	0	0	0	113.6	K100 G106	K100-L104 VanDerWaalsContact O-CB 3.32Å; K100-L104 WeakPolarHBondContact O-CB 3.29Å; K100-L104 VanDerWaalsContact O-CG 3.23Å; K100-L104 WeakPolarHBondContact O-CG 3.41Å; K100-L104 PolarHBondContact O-N 3.49Å; L104-G106 PolarHBondContact O-N 3.16Å; L104-G106 VanDerWaalsContact O-N 3.07Å
105	R	77.2	Confident	78.1	Confident	180 Å²	180	139.2 Å²	139.2	68%	0.679	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	1.8	174.9	-157.7	173.7	72.3	-171.2	3.4	112.8	V101 D103	V101-R105 WeakPolarHBondContact O-CB 3Å; V101-R105 PolarHBondContact O-N 3Å; D103-R105 PolarHBondContact O-N 3.17Å
106	G	69.8	Low	77	Confident	37 Å²	37	139 Å²	139	38%	0.381	67%	0.665	S	S	.	*			trans	80.7	157.8	174.7	0	0	0	0	0	113	D103 L104 F108	D103-G106 PolarHBondContact O-N 3.4Å; D103-G106 VanDerWaalsContact O-N 3.13Å; L104-G106 PolarHBondContact O-N 3.16Å; L104-G106 VanDerWaalsContact O-N 3.07Å; G106-F108 PolarHBondContact O-N 2.94Å
107	K	59.7	Low	76.1	Confident	204 Å²	204	145.4 Å²	145.4	89%	0.887	68%	0.683	S	S	*	*			trans	-70.6	72.4	179.6	-165.3	178.4	-173.1	174.1	0	111.3	K109	K107-K109 PolarHBondContact O-N 3.02Å; K107-K109 VanDerWaalsContact O-N 3.1Å
108	F	58.4	Low	75.2	Confident	173 Å²	173	146.3 Å²	146.3	76%	0.759	69%	0.692	S	S	*	*			trans	-43.7	122.2	144.8	-103.1	-93.1	0	0	0	105.8	G106 R110	G106-F108 PolarHBondContact O-N 2.94Å; F108-R110 VanDerWaalsContact C-N 3.28Å; F108-R110 PolarHBondContact O-N 3.16Å
109	K	60	Low	74.5	Confident	189 Å²	189	143 Å²	143	82%	0.822	69%	0.686	S	S	*	*			trans	-56.9	100.2	175.3	-75.2	-170.9	-179.9	-177.5	0	106.4	K107 P111	K107-K109 PolarHBondContact O-N 3.02Å; K107-K109 VanDerWaalsContact O-N 3.1Å; K109-P111 WeakPolarHBondContact O-CD 3.41Å
110	R	58.3	Low	73.7	Confident	195 Å²	195	141.5 Å²	141.5	74%	0.736	69%	0.686	S	S	*	*			trans	-51.1	110.1	176.9	-175	178.1	-173.9	179.9	2.2	104.7	F108 P112	F108-R110 VanDerWaalsContact C-N 3.28Å; F108-R110 PolarHBondContact O-N 3.16Å; R110-P112 VanDerWaalsContact O-N 3.13Å
111	P	64.3	Low	72.8	Confident	103 Å²	103	137.1 Å²	137.1	67%	0.669	67%	0.669	S	S	*	*			trans	-54.9	128.6	-172.6	-27.9	36.3	0	0	0	107	K109 L113	K109-P111 WeakPolarHBondContact O-CD 3.41Å; P111-L113 PolarHBondContact O-N 2.81Å; P111-L113 VanDerWaalsContact O-N 3.17Å
112	P	68.3	Low	72.1	Confident	112 Å²	112	135.1 Å²	135.1	73%	0.727	66%	0.661	S	S	*	*			trans	-53	130.4	-172.9	21.2	-32.8	0	0	0	107.6	R110 R114	R110-P112 VanDerWaalsContact O-N 3.13Å; P112-R114 VanDerWaalsContact C-N 3.26Å; P112-R114 WeakPolarHBondContact O-CG 3.32Å; P112-R114 PolarHBondContact O-N 3.33Å
113	L	66.7	Low	71.8	Confident	148 Å²	148	134.4 Å²	134.4	78%	0.775	66%	0.658	S	S	*	*			trans	-63	88	-170.5	-67.2	174.7	0	0	0	109.6	P111 R115	P111-L113 PolarHBondContact O-N 2.81Å; P111-L113 VanDerWaalsContact O-N 3.17Å; L113-R115 PolarHBondContact O-N 3.35Å
114	R	72.5	Confident	71.3	Confident	219 Å²	219	131.2 Å²	131.2	83%	0.826	64%	0.64	S	S	*	*			trans	-66.9	133	176.7	-59	-174.9	85.2	-170.9	6.2	106.7	P112 V116	P112-R114 VanDerWaalsContact C-N 3.26Å; P112-R114 WeakPolarHBondContact O-CG 3.32Å; P112-R114 PolarHBondContact O-N 3.33Å; R114-V116 PolarHBondContact O-N 2.89Å
115	R	73	Confident	70.9	Confident	232 Å²	232	131 Å²	131	88%	0.875	63%	0.629	S	S	*	*			trans	-68.6	86	172.7	-168.9	179.9	-62.4	-176	2.5	108.5	L113 R117	L113-R115 PolarHBondContact O-N 3.35Å; R115-R117 PolarHBondContact O-N 2.82Å; R115-R117 VanDerWaalsContact O-N 3.08Å
116	V	71.8	Confident	70.9	Confident	134 Å²	134	126.4 Å²	126.4	81%	0.812	63%	0.63	S	S	*	*			trans	-65.1	108.3	175	-178.9	0	0	0	0	107.1	R114	R114-V116 PolarHBondContact O-N 2.89Å
117	R	78.7	Confident	71.4	Confident	216 Å²	216	130.8 Å²	130.8	82%	0.815	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-72.2	156.2	167.5	-62.5	-176.1	-179.8	-164.3	-0.6	108.3	R115 S119	R115-R117 PolarHBondContact O-N 2.82Å; R115-R117 VanDerWaalsContact O-N 3.08Å; R117-S119 PolarHBondContact O-N 3.43Å
118	V	78.1	Confident	72.2	Confident	100 Å²	100	125.4 Å²	125.4	61%	0.606	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-47.4	128.6	171.9	-178.5	0	0	0	0	108.8	A122 M123	V118-A122 HydrophobicContact CG1-CB 3.68Å; V118-M123 HydrophobicContact CG1-CB 4.18Å
119	S	78.1	Confident	73	Confident	67 Å²	67	118.9 Å²	118.9	47%	0.469	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-64.9	156	-177.7	64.1	0	0	0	0	110.7	R117 D121 A122 M123	R117-S119 PolarHBondContact O-N 3.43Å; S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 PolarHBondContact O-N 3.43Å; S119-A122 PolarHBondContact O-N 3.41Å; S119-A122 VanDerWaalsContact O-N 3.16Å; S119-A122 VanDerWaalsContact OG-CB 3.28Å; S119-A122 WeakPolarHBondContact OG-CB 3.49Å; S119-A122 PolarHBondContact OG-N 3.29Å; S119-M123 WeakPolarHBondContact O-CB 3.27Å; S119-M123 PolarHBondContact O-N 2.9Å
120	A	74.2	Confident	73.4	Confident	56 Å²	56	115.4 Å²	115.4	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-55.7	-43.3	176.4	0	0	0	0	0	111.5	M123 L124 M136	A120-M123 PolarHBondContact O-N 3.49Å; A120-L124 VanDerWaalsContact O-CB 3.27Å; A120-L124 WeakPolarHBondContact O-CB 3.39Å; A120-L124 WeakPolarHBondContact O-CD1 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.45Å; A120-L124 PolarHBondContact O-N 2.82Å; A120-M136 HydrophobicContact CB-SD 4.29Å
121	D	71.9	Confident	73.8	Confident	34 Å²	34	115.2 Å²	115.2	18%	0.182	61%	0.61	C	S	.	*	H	α-helix	trans	-60.4	-45.3	175.2	-173.2	86.5	0	0	0	112.7	S119 M123 L124 R125 H132	S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 PolarHBondContact O-N 3.43Å; D121-M123 PolarHBondContact O-N 3.14Å; D121-L124 PolarHBondContact O-N 3.45Å; D121-R125 WeakPolarHBondContact O-CB 3.4Å; D121-R125 PolarHBondContact O-N 3.14Å; D121-R125 IonicContact OD2-NE 2.72Å; D121-R125 IonicContact OD2-NH2 3.97Å; D121-H132 IonicContact OD1-NE2 2.64Å
122	A	76.4	Confident	73.9	Confident	42 Å²	42	112.1 Å²	112.1	35%	0.347	59%	0.586	S	S	.	*	H	α-helix	trans	-67	-38	178.3	0	0	0	0	0	112.2	V118 S119 A126	V118-A122 HydrophobicContact CG1-CB 3.68Å; S119-A122 PolarHBondContact O-N 3.41Å; S119-A122 VanDerWaalsContact O-N 3.16Å; S119-A122 VanDerWaalsContact OG-CB 3.28Å; S119-A122 WeakPolarHBondContact OG-CB 3.49Å; S119-A122 PolarHBondContact OG-N 3.29Å; A122-A126 VanDerWaalsContact O-CB 3.32Å; A122-A126 WeakPolarHBondContact O-CB 3.21Å; A122-A126 PolarHBondContact O-N 3.36Å
123	M	79.1	Confident	73.7	Confident	102 Å²	102	116.1 Å²	116.1	50%	0.502	59%	0.592	S	S	.	*	H	α-helix	trans	-68.3	-44.3	175.5	-175.9	176.8	-73.8	0	0	111.4	V118 S119 A120 D121 A126 L127	V118-M123 HydrophobicContact CG1-CB 4.18Å; S119-M123 WeakPolarHBondContact O-CB 3.27Å; S119-M123 PolarHBondContact O-N 2.9Å; A120-M123 PolarHBondContact O-N 3.49Å; D121-M123 PolarHBondContact O-N 3.14Å; M123-A126 PolarHBondContact O-N 2.98Å; M123-L127 HydrophobicContact CG-CD1 3.81Å; M123-L127 HydrophobicContact CG-CG 4.44Å; M123-L127 WeakPolarHBondContact O-CB 3.46Å; M123-L127 VanDerWaalsContact O-CG 3.28Å; M123-L127 WeakPolarHBondContact O-CG 3.21Å; M123-L127 PolarHBondContact O-N 2.6Å
124	L	75.5	Confident	73.5	Confident	61 Å²	61	113.8 Å²	113.8	32%	0.319	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-38.4	177.6	-72.5	166.4	0	0	0	111.7	A120 D121 L127 L128	A120-L124 VanDerWaalsContact O-CB 3.27Å; A120-L124 WeakPolarHBondContact O-CB 3.39Å; A120-L124 WeakPolarHBondContact O-CD1 3.28Å; A120-L124 WeakPolarHBondContact O-CG 3.45Å; A120-L124 PolarHBondContact O-N 2.82Å; D121-L124 PolarHBondContact O-N 3.45Å; L124-L127 PolarHBondContact O-N 3.1Å; L124-L128 HydrophobicContact CD2-CD1 3.83Å; L124-L128 WeakPolarHBondContact O-CA 3.2Å; L124-L128 WeakPolarHBondContact O-CB 3.21Å; L124-L128 PolarHBondContact O-N 3.26Å
125	R	76.2	Confident	72.9	Confident	146 Å²	146	105.2 Å²	105.2	55%	0.551	56%	0.558	S	S	*	*	H	α-helix	trans	-64.8	-37.8	172.4	-171.3	-179.2	-60.9	-127.1	-0.5	112.1	D121 G129	D121-R125 WeakPolarHBondContact O-CB 3.4Å; D121-R125 PolarHBondContact O-N 3.14Å; D121-R125 IonicContact OD2-NE 2.72Å; D121-R125 IonicContact OD2-NH2 3.97Å; R125-G129 WeakPolarHBondContact O-CA 3.5Å; R125-G129 PolarHBondContact O-N 3.3Å
126	A	78.9	Confident	72.4	Confident	85 Å²	85	100.8 Å²	100.8	70%	0.702	55%	0.549	S	S	*	.	H	α-helix	trans	-69.9	-39.1	175.5	0	0	0	0	0	112.8	A122 M123	A122-A126 VanDerWaalsContact O-CB 3.32Å; A122-A126 WeakPolarHBondContact O-CB 3.21Å; A122-A126 PolarHBondContact O-N 3.36Å; M123-A126 PolarHBondContact O-N 2.98Å
127	L	79.9	Confident	72.1	Confident	129 Å²	129	99.4 Å²	99.4	68%	0.675	54%	0.537	S	S	*	.	H	α-helix	trans	-83.5	-31.7	-177.6	-68.4	173.4	0	0	0	114.1	M123 L124	M123-L127 HydrophobicContact CG-CD1 3.81Å; M123-L127 HydrophobicContact CG-CG 4.44Å; M123-L127 WeakPolarHBondContact O-CB 3.46Å; M123-L127 VanDerWaalsContact O-CG 3.28Å; M123-L127 WeakPolarHBondContact O-CG 3.21Å; M123-L127 PolarHBondContact O-N 2.6Å; L124-L127 PolarHBondContact O-N 3.1Å
128	L	76.4	Confident	71.2	Confident	90 Å²	90	96.5 Å²	96.5	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-115	-3.3	-173	-52.7	176.3	0	0	0	113.3	L124 S130 K131 H132	L124-L128 HydrophobicContact CD2-CD1 3.83Å; L124-L128 WeakPolarHBondContact O-CA 3.2Å; L124-L128 WeakPolarHBondContact O-CB 3.21Å; L124-L128 PolarHBondContact O-N 3.26Å; L128-S130 PolarHBondContact O-N 3.33Å; L128-K131 VanDerWaalsContact O-CB 3.25Å; L128-K131 WeakPolarHBondContact O-CB 3.46Å; L128-K131 PolarHBondContact O-N 3.15Å; L128-K131 VanDerWaalsContact O-N 3.07Å; L128-H132 HydrophobicContact CB-CB 4.18Å; L128-H132 HydrophobicContact CD1-CB 4.49Å
129	G	74.2	Confident	70.6	Confident	37 Å²	37	102.2 Å²	102.2	38%	0.381	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	53.3	-131.1	175.7	0	0	0	0	0	113.3	R125 K131 H132	R125-G129 WeakPolarHBondContact O-CA 3.5Å; R125-G129 PolarHBondContact O-N 3.3Å; G129-K131 PolarHBondContact O-N 3.42Å; G129-K131 VanDerWaalsContact O-N 3.14Å; G129-H132 PolarHBondContact O-N 3.18Å
130	S	69	Low	70	Confident	115 Å²	115	102.1 Å²	102.1	80%	0.804	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-64.8	-12.5	-180	59.4	0	0	0	0	114.8	L128	L128-S130 PolarHBondContact O-N 3.33Å
131	K	67.8	Low	69.5	Low	191 Å²	191	107 Å²	107	83%	0.83	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-77.7	-21.7	-179.2	-149.7	173.5	-173.8	178.7	0	112.4	L128 G129 K133	L128-K131 VanDerWaalsContact O-CB 3.25Å; L128-K131 WeakPolarHBondContact O-CB 3.46Å; L128-K131 PolarHBondContact O-N 3.15Å; L128-K131 VanDerWaalsContact O-N 3.07Å; G129-K131 PolarHBondContact O-N 3.42Å; G129-K131 VanDerWaalsContact O-N 3.14Å; K131-K133 PolarHBondContact O-N 3.44Å
132	H	64.9	Low	69.5	Low	39 Å²	39	111.1 Å²	111.1	18%	0.181	59%	0.59	C	S	.	*			trans	-94.4	84.2	175.1	-161.3	66	0	0	0	111.3	D121 L128 G129	D121-H132 IonicContact OD1-NE2 2.64Å; L128-H132 HydrophobicContact CB-CB 4.18Å; L128-H132 HydrophobicContact CD1-CB 4.49Å; G129-H132 PolarHBondContact O-N 3.18Å
133	K	63.6	Low	69.1	Low	195 Å²	195	118.9 Å²	118.9	85%	0.848	62%	0.616	S	S	*	*			trans	-91.9	-1	175.7	-82.4	-172.4	174.8	-177.8	0	114.6	K131 S135	K131-K133 PolarHBondContact O-N 3.44Å; K133-S135 PolarHBondContact O-N 3.41Å
134	V	63.5	Low	68.4	Low	99 Å²	99	119.2 Å²	119.2	60%	0.6	63%	0.629	S	S	*	*			trans	-88.7	100.3	-175.9	-176.9	0	0	0	0	109.3	M136	V134-M136 PolarHBondContact O-N 3.07Å
135	S	59.5	Low	67.7	Low	40 Å²	40	122.7 Å²	122.7	28%	0.28	65%	0.652	S	S	.	*			trans	-64.9	131.5	166	-175	0	0	0	0	109.4	K133 D137 A140	K133-S135 PolarHBondContact O-N 3.41Å; S135-D137 WeakPolarHBondContact CB-OD2 3.2Å; S135-D137 PolarHBondContact O-N 2.94Å; S135-D137 VanDerWaalsContact O-N 3.13Å; S135-D137 PolarHBondContact OG-N 2.9Å; S135-D137 PolarHBondContact OG-OD2 3.13Å; S135-A140 WeakPolarHBondContact O-CB 3.25Å
136	M	62.8	Low	66.6	Low	138 Å²	138	122.2 Å²	122.2	68%	0.68	65%	0.654	S	S	*	*			trans	-75.3	14.1	172.3	-62.7	-169.1	73.5	0	0	113.5	A120 V134	A120-M136 HydrophobicContact CB-SD 4.29Å; V134-M136 PolarHBondContact O-N 3.07Å
137	D	64.7	Low	65.3	Low	105 Å²	105	127.9 Å²	127.9	56%	0.561	66%	0.663	S	S	*	*			trans	-57.4	141.5	173.6	-71.6	-44.3	0	0	0	111.9	S135 R139 A140	S135-D137 WeakPolarHBondContact CB-OD2 3.2Å; S135-D137 PolarHBondContact O-N 2.94Å; S135-D137 VanDerWaalsContact O-N 3.13Å; S135-D137 PolarHBondContact OG-N 2.9Å; S135-D137 PolarHBondContact OG-OD2 3.13Å; D137-R139 PolarHBondContact O-N 3.37Å; D137-A140 WeakPolarHBondContact O-CB 3.5Å; D137-A140 PolarHBondContact O-N 3.32Å
138	L	61.1	Low	63.5	Low	155 Å²	155	127.3 Å²	127.3	81%	0.812	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.1	-29.7	173.5	-173.1	69.6	0	0	0	112.6	L142	L138-L142 WeakPolarHBondContact O-CG 3.44Å
139	R	65.1	Low	62.1	Low	220 Å²	220	130.1 Å²	130.1	83%	0.83	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-28.4	179.6	-167.9	175.6	-175.4	129.6	0.2	114	D137	D137-R139 PolarHBondContact O-N 3.37Å
140	A	65	Low	60.5	Low	66 Å²	66	133.5 Å²	133.5	55%	0.545	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	-26.6	-175.4	0	0	0	0	0	113.1	S135 D137	S135-A140 WeakPolarHBondContact O-CB 3.25Å; D137-A140 WeakPolarHBondContact O-CB 3.5Å; D137-A140 PolarHBondContact O-N 3.32Å
141	N	63.6	Low	59.5	Low	157 Å²	157	136.7 Å²	136.7	84%	0.84	69%	0.688	S	S	*	*	S	Bend	trans	-91.8	-5.4	-179.8	-122.4	-22.1	0	0	0	113.6
142	L	71.4	Confident	58.6	Low	121 Å²	121	136.3 Å²	136.3	63%	0.634	69%	0.686	S	S	*	*	S	Bend	trans	-83.9	121.2	174.4	-68.5	171.7	0	0	0	109.1	L138 S144	L138-L142 WeakPolarHBondContact O-CG 3.44Å; L142-S144 PolarHBondContact O-N 3.16Å
143	K	68.9	Low	57.6	Low	206 Å²	206	143.4 Å²	143.4	90%	0.896	72%	0.719	S	S	*	*			trans	-55.6	113.1	172.4	-74.2	-174.6	177	-178.3	0	109.4	V145	K143-V145 PolarHBondContact O-N 3.01Å; K143-V145 VanDerWaalsContact O-N 3.16Å
144	S	64.6	Low	56.5	Low	109 Å²	109	143.8 Å²	143.8	76%	0.762	72%	0.715	S	S	*	*			trans	-66.2	112.3	167.4	45.5	0	0	0	0	108.5	L142 K146	L142-S144 PolarHBondContact O-N 3.16Å; S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 3.11Å
145	V	61.2	Low	55.5	Low	133 Å²	133	144.8 Å²	144.8	81%	0.806	72%	0.724	S	S	*	*			trans	-68.6	96.6	164.4	-179.1	0	0	0	0	106.4	K143 K147	K143-V145 PolarHBondContact O-N 3.01Å; K143-V145 VanDerWaalsContact O-N 3.16Å; V145-K147 PolarHBondContact O-N 2.92Å; V145-K147 VanDerWaalsContact O-N 3.11Å
146	K	52	Low	55.3	Low	136 Å²	136	149.4 Å²	149.4	59%	0.591	75%	0.75	S	S	*	*			trans	-54.6	114.9	162.7	-83.3	174.1	138.4	-149.5	0	107.2	S144 E148	S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 3.11Å; K146-E148 HydrophobicContact CB-CB 4.45Å; K146-E148 HydrophobicContact CB-CG 4.24Å; K146-E148 WeakPolarHBondContact CD-OE2 3.41Å; K146-E148 WeakPolarHBondContact CE-OE1 3.12Å; K146-E148 WeakPolarHBondContact CE-OE2 3.35Å; K146-E148 IonicContact NZ-OE1 3.76Å; K146-E148 PolarHBondContact NZ-OE1 2.72Å; K146-E148 IonicContact NZ-OE2 3.67Å; K146-E148 PolarHBondContact NZ-OE2 2.64Å; K146-E148 PolarHBondContact O-N 3.19Å
147	K	53	Low	54.8	Low	205 Å²	205	151.5 Å²	151.5	89%	0.891	76%	0.758	S	S	*	*			trans	-75.1	70.3	154	-80.4	-169.2	170.9	-169.4	0	107.5	V145	V145-K147 PolarHBondContact O-N 2.92Å; V145-K147 VanDerWaalsContact O-N 3.11Å
148	E	41.5	Very low	53.9	Low	117 Å²	117	152.9 Å²	152.9	55%	0.547	77%	0.77	S	S	.	*			trans	-94.1	145.3	156.2	-76	172.2	175	0	0	106.6	K146 T150	K146-E148 HydrophobicContact CB-CB 4.45Å; K146-E148 HydrophobicContact CB-CG 4.24Å; K146-E148 WeakPolarHBondContact CD-OE2 3.41Å; K146-E148 WeakPolarHBondContact CE-OE1 3.12Å; K146-E148 WeakPolarHBondContact CE-OE2 3.35Å; K146-E148 IonicContact NZ-OE1 3.76Å; K146-E148 PolarHBondContact NZ-OE1 2.72Å; K146-E148 IonicContact NZ-OE2 3.67Å; K146-E148 PolarHBondContact NZ-OE2 2.64Å; K146-E148 PolarHBondContact O-N 3.19Å; E148-T150 PolarHBondContact O-N 3.01Å
149	D	45.7	Very low	53.3	Low	148 Å²	148	148.4 Å²	148.4	79%	0.791	76%	0.761	S	S	*	*			trans	-60.5	117.9	-156.1	-59.7	-71.1	0	0	0	113.6	E151	D149-E151 PolarHBondContact O-N 2.89Å
150	T	41.4	Very low	52.9	Low	109 Å²	109	142.9 Å²	142.9	67%	0.669	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	41.2	-178.2	-36.4	0	0	0	0	112.2	E148	E148-T150 PolarHBondContact O-N 3.01Å
151	E	47.8	Very low	52.7	Low	181 Å²	181	150.6 Å²	150.6	85%	0.846	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	-7.6	-177.7	-159.1	170	-134.4	0	0	113.2	D149	D149-E151 PolarHBondContact O-N 2.89Å
152	K	49.2	Very low	52.3	Low	184 Å²	184	152.5 Å²	152.5	80%	0.8	76%	0.759	S	S	*	*	S	Bend	trans	-125.4	133.1	169.2	-68.4	-177.9	-179.5	174.5	0	110.7
153	E	43.9	Very low	51.7	Low	187 Å²	187	155.8 Å²	155.8	87%	0.874	77%	0.768	S	S	*	*			trans	64.5	70.5	176.6	-57.6	-176	-170.6	0	0	116.3
154	R	40.8	Very low	51	Low	203 Å²	203	152.6 Å²	152.6	77%	0.766	76%	0.761	S	S	*	*			trans	-90.6	118.6	137	-66.5	-174	-145.5	-134	1.7	108.1	V156	R154-V156 PolarHBondContact O-N 3.21Å
155	P	43	Very low	50.4	Low	120 Å²	120	152.6 Å²	152.6	78%	0.779	76%	0.756	S	S	*	*			trans	-56.1	135.9	160.8	-22.1	33.9	0	0	0	109.4	E157	P155-E157 PolarHBondContact O-N 3.45Å
156	V	53.8	Low	50.1	Low	138 Å²	138	154.8 Å²	154.8	84%	0.836	76%	0.757	S	S	*	*	S	Bend	trans	-60.9	114.8	169.2	173.8	0	0	0	0	107.9	R154	R154-V156 PolarHBondContact O-N 3.21Å
157	E	52.4	Low	50.2	Low	182 Å²	182	152 Å²	152	85%	0.85	76%	0.76	S	S	*	*			trans	176.2	72.7	154.5	-101	164.4	-148.9	0	0	112.1	P155	P155-E157 PolarHBondContact O-N 3.45Å
158	V	45.8	Very low	50.1	Low	133 Å²	133	149.8 Å²	149.8	81%	0.806	76%	0.755	S	S	*	*	S	Bend	trans	-124	99.2	143.3	-179.4	0	0	0	0	105.3
159	G	48.8	Very low	50.5	Low	61 Å²	61	149.6 Å²	149.6	63%	0.629	77%	0.767	S	S	*	*			trans	-58.8	138.8	-172.4	0	0	0	0	0	112.4	W161	G159-W161 PolarHBondContact O-N 3.1Å; G159-W161 VanDerWaalsContact O-N 3.1Å
160	D	57.2	Low	51	Low	105 Å²	105	146 Å²	146	56%	0.561	76%	0.764	S	S	*	*			trans	-59.3	110.7	179.5	-178.1	8	0	0	0	111.5	R162	D160-R162 PolarHBondContact O-N 3.35Å; D160-R162 VanDerWaalsContact O-N 3.1Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.3Å; D160-R162 VanDerWaalsContact OD1-CG 3.3Å; D160-R162 WeakPolarHBondContact OD1-CG 3.27Å; D160-R162 PolarHBondContact OD1-N 3.07Å
161	W	60.7	Low	51.4	Low	228 Å²	228	148.8 Å²	148.8	86%	0.864	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-64.7	-8.6	178.6	-81.6	-43.7	0	0	0	113.9	G159 K163	G159-W161 PolarHBondContact O-N 3.1Å; G159-W161 VanDerWaalsContact O-N 3.1Å; W161-K163 VanDerWaalsContact C-N 3.29Å; W161-K163 PolarHBondContact O-N 3.1Å
162	R	55.6	Low	51.5	Low	197 Å²	197	150 Å²	150	74%	0.743	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-66.8	-22.4	-179	-72.8	176.1	158.9	156.9	-4.9	115	D160 N164 V165	D160-R162 PolarHBondContact O-N 3.35Å; D160-R162 VanDerWaalsContact O-N 3.1Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.3Å; D160-R162 VanDerWaalsContact OD1-CG 3.3Å; D160-R162 WeakPolarHBondContact OD1-CG 3.27Å; D160-R162 PolarHBondContact OD1-N 3.07Å; R162-N164 PolarHBondContact O-N 3.32Å; R162-V165 PolarHBondContact O-N 3.01Å
163	K	57.5	Low	51.5	Low	190 Å²	190	144.1 Å²	144.1	83%	0.826	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-67.7	-7	-173.8	-77.2	-170.2	175.2	-177.8	0	116.3	W161	W161-K163 VanDerWaalsContact C-N 3.29Å; W161-K163 PolarHBondContact O-N 3.1Å
164	N	54.8	Low	51.8	Low	138 Å²	138	145.8 Å²	145.8	74%	0.738	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-107.4	5.7	180	-154.8	18.9	0	0	0	114.5	R162	R162-N164 PolarHBondContact O-N 3.32Å
165	V	52.3	Low	52.4	Low	109 Å²	109	145 Å²	145	66%	0.661	77%	0.77	S	S	*	*	S	Bend	trans	-94	-25.9	-176.2	-177.1	0	0	0	0	112.7	R162 A167	R162-V165 PolarHBondContact O-N 3.01Å; V165-A167 PolarHBondContact O-N 3.13Å
166	E	54	Low	53	Low	179 Å²	179	146.4 Å²	146.4	84%	0.836	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-80.3	-13.4	-177.7	-67	-178.6	154.9	0	0	114	M168	E166-M168 VanDerWaalsContact C-N 3.33Å; E166-M168 PolarHBondContact O-N 3.35Å
167	A	55.9	Low	52.6	Low	79 Å²	79	147.3 Å²	147.3	65%	0.653	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-78.1	-7.2	-174.9	0	0	0	0	0	115.4	V165	V165-A167 PolarHBondContact O-N 3.13Å
168	M	49.5	Very low	52.1	Low	157 Å²	157	147.3 Å²	147.3	77%	0.773	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-128.4	6.8	-174.3	-75.2	-71.4	-81.4	0	0	114.9	E166 G170	E166-M168 VanDerWaalsContact C-N 3.33Å; E166-M168 PolarHBondContact O-N 3.35Å; M168-G170 VanDerWaalsContact C-N 3.34Å; M168-G170 PolarHBondContact O-N 3.49Å; M168-G170 VanDerWaalsContact O-N 3.13Å
169	S	49.8	Very low	51.9	Low	114 Å²	114	149 Å²	149	80%	0.797	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	67.7	174	-177.4	0	0	0	0	111.6
170	G	57.3	Low	51.6	Low	72 Å²	72	151 Å²	151	74%	0.742	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.9	9.3	-179.6	0	0	0	0	0	119.3	M168	M168-G170 VanDerWaalsContact C-N 3.34Å; M168-G170 PolarHBondContact O-N 3.49Å; M168-G170 VanDerWaalsContact O-N 3.13Å
171	M	49.6	Very low	50.7	Low	168 Å²	168	150.7 Å²	150.7	83%	0.828	79%	0.785	S	S	*	*			trans	-112.6	51.4	179.1	-75.8	-172.7	65.4	0	0	113.4	G173	M171-G173 PolarHBondContact O-N 3.42Å
172	E	49.8	Very low	49.7	Very low	205 Å²	205	149 Å²	149	96%	0.958	78%	0.784	S	S	*	*			trans	-94.6	78.7	167.5	-164.2	157.3	-143.7	0	0	109.9
173	G	48.2	Very low	48.8	Very low	62 Å²	62	144.9 Å²	144.9	64%	0.639	79%	0.785	S	S	*	*	S	Bend	trans	-172.1	113.4	-177.5	0	0	0	0	0	113.2	M171 K175	M171-G173 PolarHBondContact O-N 3.42Å; G173-K175 PolarHBondContact O-N 2.93Å
174	R	51.3	Low	48.6	Very low	222 Å²	222	141.4 Å²	141.4	84%	0.838	78%	0.783	S	S	*	*			trans	-64	99.5	174.3	-179.9	-178.3	177.5	-179.9	1.9	109.9	K176	R174-K176 VanDerWaalsContact C-N 3.35Å; R174-K176 PolarHBondContact O-N 3.38Å
175	K	53.9	Low	47.7	Very low	186 Å²	186	141 Å²	141	81%	0.809	79%	0.785	S	S	*	*			trans	-64.8	86.4	178.5	-160.9	170.5	-173.1	174.1	0	111	G173 M177	G173-K175 PolarHBondContact O-N 2.93Å; K175-M177 PolarHBondContact O-N 2.84Å
176	K	55.7	Low	47	Very low	149 Å²	149	141 Å²	141	65%	0.648	79%	0.79	S	S	*	*			trans	-76.9	108.5	171.2	-78.4	-174.8	175.9	-179.4	0	109.1	R174	R174-K176 VanDerWaalsContact C-N 3.35Å; R174-K176 PolarHBondContact O-N 3.38Å
177	M	44	Very low	46.1	Very low	157 Å²	157	145.3 Å²	145.3	77%	0.773	81%	0.81	S	S	*	*			trans	-77.1	124.3	162.1	-61.8	-83	-76.1	0	0	107.9	K175	K175-M177 PolarHBondContact O-N 2.84Å
178	F	42.3	Very low	45.6	Very low	183 Å²	183	148.6 Å²	148.6	80%	0.803	82%	0.818	S	S	*	*			trans	-145.3	112.5	163.5	-92.8	-78.2	0	0	0	108.9
179	D	42.3	Very low	45.4	Very low	167 Å²	167	148.2 Å²	148.2	89%	0.893	82%	0.82	S	S	*	*			trans	-70.1	135.2	166	-74.9	-59.3	0	0	0	110
180	A	42	Very low	45.2	Very low	103 Å²	103	150.1 Å²	150.1	85%	0.851	82%	0.822	S	S	*	*			trans	-146	125.2	165.1	0	0	0	0	0	109.1
181	A	39.1	Very low	44.4	Very low	99 Å²	99	154.6 Å²	154.6	82%	0.818	83%	0.826	S	S	*	*			trans	-90	141.2	-169.3	0	0	0	0	0	113.8
182	K	38.3	Very low	44.1	Very low	192 Å²	192	153.8 Å²	153.8	84%	0.835	83%	0.826	S	S	*	*			trans	42.5	122.6	147.6	-68	-172.5	174.7	-177	0	121.5
183	S	37.7	Very low	43.7	Very low	111 Å²	111	150.4 Å²	150.4	78%	0.776	82%	0.817	S	S	*	*			trans	74.7	163.4	130.5	75.1	0	0	0	0	118.5
184	P	53.2	Low	43.4	Very low	118 Å²	118	156.7 Å²	156.7	77%	0.766	83%	0.83	S	S	*	*			cis	-102	-158.3	0.9	26	-3.7	0	0	0	111.6
185	T	34.7	Very low	42.8	Very low	128 Å²	128	151.7 Å²	151.7	79%	0.785	83%	0.83	S	S	*	*			cis	-153.6	161.8	16.5	-43.1	0	0	0	0	112.4
186	S	38.7	Very low	41.9	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	83%	0.831	S	S	*	*			trans	-43.1	141.9	168.4	-81.8	0	0	0	0	118.3
187	Q	34.5	Very low	40.6	Very low	269 Å²	269	148.8 Å²	148.8	100%	1.257	85%	0.848	S	S	*	*				-141	0	96.5	-103.9	-176.2	-4	0	0	110.2

Retrieved 187 of 187 residues in 467.1 ms (Link to these results)

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