A0A087XTV6_POEFO Loading...

Troponin I2, fast 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 (A0A3B3VYW5), UniProt , Accession A0A087XTV6, Species POEFO (Poecilia formosa, Amazon molly), Gene TNNI2, Length 175 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	F	41.4	Very low	78.7	Confident	273 Å²	273	150.9 Å²	150.9	100%	1.197	72%	0.721	S	S	*	*				0	88.6	0	-71.8	-91	0	0	0	110.7
2	G	58	Low	80	Confident	76 Å²	76	144.5 Å²	144.5	78%	0.784	69%	0.694	S	S	*	*			trans	-106.4	113.4	173.2	0	0	0	0	0	109.5	K4	G2-K4 PolarHBondContact O-N 3.45Å
3	R	63.6	Low	81.2	Confident	250 Å²	250	142.2 Å²	142.2	94%	0.943	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-56.2	130.4	173.7	-70.4	-171.8	-156.1	-123.3	4.1	108.9	K5	R3-K5 PolarHBondContact O-N 3.08Å
4	K	74.1	Confident	82.3	Confident	209 Å²	209	136.9 Å²	136.9	91%	0.909	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-57.6	121.4	172.1	-85.9	-178.8	175.2	175.1	0	108.7	G2	G2-K4 PolarHBondContact O-N 3.45Å
5	K	81.4	Confident	83.2	Confident	201 Å²	201	135.5 Å²	135.5	87%	0.874	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-61.2	143.3	173.2	-69.2	-177.6	178.6	179.2	0	109.2	R3	R3-K5 PolarHBondContact O-N 3.08Å
6	M	86.4	Confident	84.1	Confident	98 Å²	98	131.6 Å²	131.6	48%	0.483	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-52.7	135.9	178.4	-174.9	-175.5	-68	0	0	111	R10 R11 L14	M6-R10 HydrophobicContact CG-CB 4.01Å; M6-R10 HydrophobicContact CG-CG 4.03Å; M6-R10 HydrophobicContact SD-CB 4.25Å; M6-R10 HydrophobicContact SD-CG 3.85Å; M6-R11 HydrophobicContact SD-CB 4.07Å; M6-L14 HydrophobicContact CE-CD1 4Å; M6-L14 HydrophobicContact SD-CD1 3.81Å
7	P	90.6	Very high	84.9	Confident	79 Å²	79	127.8 Å²	127.8	51%	0.513	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-55.2	141.6	174.5	-25.1	33.9	0	0	0	112	S9 R10 R11	P7-S9 PolarHBondContact O-N 3.46Å; P7-R10 HydrophobicContact CB-CB 4.48Å; P7-R10 PolarHBondContact O-N 3.45Å; P7-R11 PolarHBondContact O-N 3.07Å
8	L	90.4	Very high	85.6	Confident	104 Å²	104	127.5 Å²	127.5	55%	0.545	62%	0.623	S	S	.	*	H	α-helix	trans	-56.7	-39.8	179.8	178.7	65.2	0	0	0	112	R11 N12	L8-R11 PolarHBondContact O-N 3.4Å; L8-N12 WeakPolarHBondContact O-CB 3.41Å; L8-N12 VanDerWaalsContact O-CG 3.29Å; L8-N12 PolarHBondContact O-N 3.47Å
9	S	91.6	Very high	86.2	Confident	88 Å²	88	127.7 Å²	127.7	62%	0.615	63%	0.626	S	S	*	*	H	α-helix	trans	-57.7	-50.8	177.1	51.9	0	0	0	0	111.6	P7 R11 N12 H13	P7-S9 PolarHBondContact O-N 3.46Å; S9-R11 PolarHBondContact O-N 2.93Å; S9-N12 PolarHBondContact O-N 3.38Å; S9-H13 WeakPolarHBondContact O-CB 3.41Å; S9-H13 PolarHBondContact O-N 3.07Å
10	R	93.8	Very high	86.8	Confident	158 Å²	158	126.7 Å²	126.7	60%	0.596	62%	0.62	S	S	*	*	H	α-helix	trans	-61.4	-43.6	177.2	-177.4	171.9	179.3	146.1	1.1	111.7	M6 P7 N12 H13 L14	M6-R10 HydrophobicContact CG-CB 4.01Å; M6-R10 HydrophobicContact CG-CG 4.03Å; M6-R10 HydrophobicContact SD-CB 4.25Å; M6-R10 HydrophobicContact SD-CG 3.85Å; P7-R10 HydrophobicContact CB-CB 4.48Å; P7-R10 PolarHBondContact O-N 3.45Å; R10-N12 PolarHBondContact O-N 3.44Å; R10-H13 PolarHBondContact O-N 3.07Å; R10-L14 HydrophobicContact CG-CD1 4.19Å; R10-L14 VanDerWaalsContact O-CG 3.31Å; R10-L14 WeakPolarHBondContact O-CG 3.23Å; R10-L14 PolarHBondContact O-N 3.2Å
11	R	94.2	Very high	87.3	Confident	124 Å²	124	124.9 Å²	124.9	47%	0.468	61%	0.612	S	S	.	*	H	α-helix	trans	-62.1	-42.5	177.9	-175.9	176.5	64.9	-167.5	3.1	112.2	M6 P7 L8 S9 L14 K15	M6-R11 HydrophobicContact SD-CB 4.07Å; P7-R11 PolarHBondContact O-N 3.07Å; L8-R11 PolarHBondContact O-N 3.4Å; S9-R11 PolarHBondContact O-N 2.93Å; R11-L14 PolarHBondContact O-N 3.37Å; R11-K15 WeakPolarHBondContact O-CG 3.49Å; R11-K15 PolarHBondContact O-N 2.84Å
12	N	94	Very high	90	Very high	74 Å²	74	113.6 Å²	113.6	40%	0.396	57%	0.573	S	S	.	*	H	α-helix	trans	-68.5	-41.9	178.6	-70.5	-7	0	0	0	111.3	L8 S9 R10 L14 K15 S16	L8-N12 WeakPolarHBondContact O-CB 3.41Å; L8-N12 VanDerWaalsContact O-CG 3.29Å; L8-N12 PolarHBondContact O-N 3.47Å; S9-N12 PolarHBondContact O-N 3.38Å; R10-N12 PolarHBondContact O-N 3.44Å; N12-L14 VanDerWaalsContact C-N 3.34Å; N12-L14 PolarHBondContact O-N 3.25Å; N12-K15 WeakPolarHBondContact O-CB 3.42Å; N12-K15 PolarHBondContact O-N 2.65Å; N12-K15 VanDerWaalsContact O-N 3.15Å; N12-S16 PolarHBondContact O-N 2.89Å; N12-S16 PolarHBondContact O-OG 2.85Å
13	H	95.5	Very high	91.9	Very high	114 Å²	114	116 Å²	116	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-58	-45.8	174.3	179.9	60.8	0	0	0	111.8	S9 R10 K15 S16 L17	S9-H13 WeakPolarHBondContact O-CB 3.41Å; S9-H13 PolarHBondContact O-N 3.07Å; R10-H13 PolarHBondContact O-N 3.07Å; H13-K15 VanDerWaalsContact C-N 3.34Å; H13-K15 PolarHBondContact O-N 3.35Å; H13-S16 WeakPolarHBondContact O-CB 3.49Å; H13-S16 PolarHBondContact O-N 2.64Å; H13-L17 WeakPolarHBondContact O-CG 3.38Å; H13-L17 PolarHBondContact O-N 3.29Å
14	L	96.9	Very high	93.5	Very high	69 Å²	69	108.9 Å²	108.9	36%	0.361	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175	-70.4	172.6	0	0	0	112.6	M6 R10 R11 N12 L17 L18	M6-L14 HydrophobicContact CE-CD1 4Å; M6-L14 HydrophobicContact SD-CD1 3.81Å; R10-L14 HydrophobicContact CG-CD1 4.19Å; R10-L14 VanDerWaalsContact O-CG 3.31Å; R10-L14 WeakPolarHBondContact O-CG 3.23Å; R10-L14 PolarHBondContact O-N 3.2Å; R11-L14 PolarHBondContact O-N 3.37Å; N12-L14 VanDerWaalsContact C-N 3.34Å; N12-L14 PolarHBondContact O-N 3.25Å; L14-L17 PolarHBondContact O-N 3.25Å; L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.13Å; L14-L18 PolarHBondContact O-N 2.96Å
15	K	96.6	Very high	94.7	Very high	116 Å²	116	105.1 Å²	105.1	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-42.3	173.8	-74	178.8	176.8	-167	0	112	R11 N12 H13 L18 L19	R11-K15 WeakPolarHBondContact O-CG 3.49Å; R11-K15 PolarHBondContact O-N 2.84Å; N12-K15 WeakPolarHBondContact O-CB 3.42Å; N12-K15 PolarHBondContact O-N 2.65Å; N12-K15 VanDerWaalsContact O-N 3.15Å; H13-K15 VanDerWaalsContact C-N 3.34Å; H13-K15 PolarHBondContact O-N 3.35Å; K15-L18 PolarHBondContact O-N 3.41Å; K15-L19 VanDerWaalsContact O-CG 3.31Å; K15-L19 WeakPolarHBondContact O-CG 3.45Å; K15-L19 PolarHBondContact O-N 3.25Å
16	S	96.6	Very high	95.5	Very high	72 Å²	72	101 Å²	101	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-44.3	176.1	-66.1	0	0	0	0	111.5	N12 H13 L19 Q20	N12-S16 PolarHBondContact O-N 2.89Å; N12-S16 PolarHBondContact O-OG 2.85Å; H13-S16 WeakPolarHBondContact O-CB 3.49Å; H13-S16 PolarHBondContact O-N 2.64Å; S16-L19 PolarHBondContact O-N 3.45Å; S16-Q20 WeakPolarHBondContact O-CB 3.31Å; S16-Q20 PolarHBondContact O-N 3.45Å
17	L	97.8	Very high	96	Very high	68 Å²	68	101.2 Å²	101.2	36%	0.356	51%	0.513	S	S	.	.	H	α-helix	trans	-62	-43.6	175.2	-69.9	176	0	0	0	112	H13 L14 L19 Q20 I21	H13-L17 WeakPolarHBondContact O-CG 3.38Å; H13-L17 PolarHBondContact O-N 3.29Å; L14-L17 PolarHBondContact O-N 3.25Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.1Å; L17-Q20 PolarHBondContact O-N 2.87Å; L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.29Å
18	L	97.9	Very high	96.4	Very high	122 Å²	122	101 Å²	101	64%	0.639	51%	0.505	S	S	*	.	H	α-helix	trans	-60.5	-42	176.1	-76.1	168.6	0	0	0	112.1	L14 K15 G22	L14-L18 WeakPolarHBondContact O-CB 3.36Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.13Å; L14-L18 PolarHBondContact O-N 2.96Å; K15-L18 PolarHBondContact O-N 3.41Å; L18-G22 PolarHBondContact O-N 2.85Å
19	L	97.7	Very high	96.7	Very high	131 Å²	131	101.9 Å²	101.9	69%	0.686	51%	0.507	S	S	*	.	H	α-helix	trans	-67.6	-37.5	176.4	-70.7	171.8	0	0	0	112	K15 S16 L17 G22 K23	K15-L19 VanDerWaalsContact O-CG 3.31Å; K15-L19 WeakPolarHBondContact O-CG 3.45Å; K15-L19 PolarHBondContact O-N 3.25Å; S16-L19 PolarHBondContact O-N 3.45Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.1Å; L19-G22 PolarHBondContact O-N 3.15Å; L19-K23 WeakPolarHBondContact O-CB 3.39Å; L19-K23 PolarHBondContact O-N 3.39Å
20	Q	97.1	Very high	97	Very high	108 Å²	108	100.7 Å²	100.7	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-50.5	176	-179.6	176	-12.4	0	0	111.1	S16 L17 G22 K23 E24	S16-Q20 WeakPolarHBondContact O-CB 3.31Å; S16-Q20 PolarHBondContact O-N 3.45Å; L17-Q20 PolarHBondContact O-N 2.87Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 2.85Å; Q20-K23 WeakPolarHBondContact O-CB 3.47Å; Q20-K23 PolarHBondContact O-N 3.5Å; Q20-K23 VanDerWaalsContact O-N 3.14Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.24Å; Q20-E24 PolarHBondContact NE2-OE1 2.88Å; Q20-E24 WeakPolarHBondContact O-CG 3.47Å; Q20-E24 PolarHBondContact O-N 2.97Å
21	I	98.1	Very high	97.2	Very high	89 Å²	89	98.4 Å²	98.4	46%	0.456	49%	0.493	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176.5	-65.4	166.3	0	0	0	110.3	L17 K23 E24 M25	L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.29Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 3.15Å; I21-E24 PolarHBondContact O-N 3.45Å; I21-M25 HydrophobicContact CG2-CG 4.32Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CG 3.45Å; I21-M25 PolarHBondContact O-N 2.96Å
22	G	98.1	Very high	97.4	Very high	36 Å²	36	96.6 Å²	96.6	37%	0.371	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-35.3	177	0	0	0	0	0	113	L18 L19 Q20 L26	L18-G22 PolarHBondContact O-N 2.85Å; L19-G22 PolarHBondContact O-N 3.15Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 2.85Å; G22-L26 WeakPolarHBondContact O-CB 3.37Å; G22-L26 PolarHBondContact O-N 3.24Å; G22-L26 VanDerWaalsContact O-N 3.09Å
23	K	97.7	Very high	97.5	Very high	125 Å²	125	95.6 Å²	95.6	54%	0.543	49%	0.492	S	S	.	.	H	α-helix	trans	-66.3	-46.3	173.8	-175	178	-178.3	-77.4	0	111.4	L19 Q20 I21 M25 L26 E27	L19-K23 WeakPolarHBondContact O-CB 3.39Å; L19-K23 PolarHBondContact O-N 3.39Å; Q20-K23 WeakPolarHBondContact O-CB 3.47Å; Q20-K23 PolarHBondContact O-N 3.5Å; Q20-K23 VanDerWaalsContact O-N 3.14Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 3.15Å; K23-M25 VanDerWaalsContact C-N 3.32Å; K23-M25 PolarHBondContact O-N 3.46Å; K23-L26 PolarHBondContact O-N 2.93Å; K23-E27 IonicContact NZ-OE1 2.6Å; K23-E27 PolarHBondContact NZ-OE1 2.92Å; K23-E27 WeakPolarHBondContact O-CG 3.45Å; K23-E27 PolarHBondContact O-N 3.42Å
24	E	97.9	Very high	97.6	Very high	101 Å²	101	94.4 Å²	94.4	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-61	-42	177.8	-69.2	167.2	-166.9	0	0	111.1	Q20 I21 L26 E27 E28	Q20-E24 WeakPolarHBondContact CG-OE1 3.24Å; Q20-E24 PolarHBondContact NE2-OE1 2.88Å; Q20-E24 WeakPolarHBondContact O-CG 3.47Å; Q20-E24 PolarHBondContact O-N 2.97Å; I21-E24 PolarHBondContact O-N 3.45Å; E24-L26 PolarHBondContact O-N 3.2Å; E24-E27 PolarHBondContact O-N 3.13Å; E24-E28 WeakPolarHBondContact O-CB 3.41Å; E24-E28 PolarHBondContact O-N 3.19Å
25	M	98.1	Very high	97.6	Very high	130 Å²	130	95.8 Å²	95.8	64%	0.64	49%	0.492	S	S	*	.	H	α-helix	trans	-62.5	-40.4	175.3	-70.7	178.6	68.6	0	0	112.7	I21 K23 E28 E29	I21-M25 HydrophobicContact CG2-CG 4.32Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CG 3.45Å; I21-M25 PolarHBondContact O-N 2.96Å; K23-M25 VanDerWaalsContact C-N 3.32Å; K23-M25 PolarHBondContact O-N 3.46Å; M25-E28 PolarHBondContact O-N 3.28Å; M25-E29 WeakPolarHBondContact O-CB 3.45Å; M25-E29 PolarHBondContact O-N 2.86Å
26	L	97.8	Very high	97.7	Very high	114 Å²	114	96.7 Å²	96.7	60%	0.597	50%	0.498	S	S	*	.	H	α-helix	trans	-67.7	-37.9	178.5	-171.7	70.6	0	0	0	111.9	G22 K23 E24 A30	G22-L26 WeakPolarHBondContact O-CB 3.37Å; G22-L26 PolarHBondContact O-N 3.24Å; G22-L26 VanDerWaalsContact O-N 3.09Å; K23-L26 PolarHBondContact O-N 2.93Å; E24-L26 PolarHBondContact O-N 3.2Å; L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 3.46Å
27	E	97.9	Very high	97.6	Very high	104 Å²	104	98.3 Å²	98.3	49%	0.486	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-40.9	175.2	-73.1	172.2	-180	0	0	111.5	K23 E24 A30 R31	K23-E27 IonicContact NZ-OE1 2.6Å; K23-E27 PolarHBondContact NZ-OE1 2.92Å; K23-E27 WeakPolarHBondContact O-CG 3.45Å; K23-E27 PolarHBondContact O-N 3.42Å; E24-E27 PolarHBondContact O-N 3.13Å; E27-A30 PolarHBondContact O-N 2.8Å; E27-R31 PolarHBondContact O-N 3.3Å
28	E	97.9	Very high	97.5	Very high	73 Å²	73	99.3 Å²	99.3	34%	0.341	50%	0.499	S	S	.	.	H	α-helix	trans	-66.4	-42.9	176.2	177.7	56.5	-163	0	0	112.3	E24 M25 A30 R31 Q32	E24-E28 WeakPolarHBondContact O-CB 3.41Å; E24-E28 PolarHBondContact O-N 3.19Å; M25-E28 PolarHBondContact O-N 3.28Å; E28-A30 VanDerWaalsContact C-N 3.33Å; E28-A30 PolarHBondContact O-N 3.39Å; E28-R31 WeakPolarHBondContact O-CB 3.36Å; E28-R31 PolarHBondContact O-N 2.6Å; E28-R31 IonicContact OE1-CZ 3.68Å; E28-R31 IonicContact OE1-NE 3Å; E28-R31 IonicContact OE1-NH2 3.57Å; E28-R31 PolarHBondContact OE1-NH2 2.97Å; E28-R31 IonicContact OE2-CZ 2.65Å; E28-R31 IonicContact OE2-NE 3.35Å; E28-R31 PolarHBondContact OE2-NE 2.87Å; E28-R31 IonicContact OE2-NH2 2.64Å; E28-R31 PolarHBondContact OE2-NH2 2.89Å; E28-Q32 WeakPolarHBondContact O-CG 3.29Å; E28-Q32 PolarHBondContact O-N 3.12Å; E28-Q32 PolarHBondContact OE1-NE2 2.87Å
29	E	98	Very high	97.4	Very high	124 Å²	124	95.1 Å²	95.1	58%	0.579	48%	0.482	S	S	*	.	H	α-helix	trans	-59.6	-43.3	173	-177.2	177.6	-156.1	0	0	111.4	M25 R31 Q32 A33	M25-E29 WeakPolarHBondContact O-CB 3.45Å; M25-E29 PolarHBondContact O-N 2.86Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.28Å; E29-Q32 PolarHBondContact O-N 3.36Å; E29-A33 WeakPolarHBondContact O-CB 3.45Å; E29-A33 PolarHBondContact O-N 3.48Å
30	A	97.7	Very high	97.3	Very high	62 Å²	62	95.7 Å²	95.7	51%	0.512	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-37.8	176.3	0	0	0	0	0	112.5	L26 E27 E28 E34	L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 3.46Å; E27-A30 PolarHBondContact O-N 2.8Å; E28-A30 VanDerWaalsContact C-N 3.33Å; E28-A30 PolarHBondContact O-N 3.39Å; A30-E34 PolarHBondContact O-N 2.94Å; A30-E34 VanDerWaalsContact O-N 3.14Å
31	R	97.8	Very high	97.1	Very high	110 Å²	110	95.3 Å²	95.3	42%	0.415	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-47.6	174.6	-172.9	-172.2	69.7	76.9	4.9	111.1	E27 E28 E29 E34 E35	E27-R31 PolarHBondContact O-N 3.3Å; E28-R31 WeakPolarHBondContact O-CB 3.36Å; E28-R31 PolarHBondContact O-N 2.6Å; E28-R31 IonicContact OE1-CZ 3.68Å; E28-R31 IonicContact OE1-NE 3Å; E28-R31 IonicContact OE1-NH2 3.57Å; E28-R31 PolarHBondContact OE1-NH2 2.97Å; E28-R31 IonicContact OE2-CZ 2.65Å; E28-R31 IonicContact OE2-NE 3.35Å; E28-R31 PolarHBondContact OE2-NE 2.87Å; E28-R31 IonicContact OE2-NH2 2.64Å; E28-R31 PolarHBondContact OE2-NH2 2.89Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.28Å; R31-E34 PolarHBondContact O-N 3.46Å; R31-E35 IonicContact CZ-OE1 2.61Å; R31-E35 IonicContact CZ-OE2 3.46Å; R31-E35 IonicContact NH1-OE1 3.81Å; R31-E35 PolarHBondContact NH1-OE1 3.21Å; R31-E35 IonicContact NH1-OE2 4Å; R31-E35 PolarHBondContact NH1-OE2 3.03Å; R31-E35 WeakPolarHBondContact O-CG 3.3Å; R31-E35 PolarHBondContact O-N 3.22Å
32	Q	97.8	Very high	96.9	Very high	87 Å²	87	98.8 Å²	98.8	41%	0.407	48%	0.483	S	S	.	.	H	α-helix	trans	-61.4	-43.9	177.9	-70.1	175.6	16.8	0	0	111.5	E28 E29 E34 E35 E36	E28-Q32 WeakPolarHBondContact O-CG 3.29Å; E28-Q32 PolarHBondContact O-N 3.12Å; E28-Q32 PolarHBondContact OE1-NE2 2.87Å; E29-Q32 PolarHBondContact O-N 3.36Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 3.38Å; Q32-E35 WeakPolarHBondContact O-CB 3.47Å; Q32-E35 PolarHBondContact O-N 3.3Å; Q32-E35 VanDerWaalsContact O-N 3.12Å; Q32-E36 WeakPolarHBondContact O-CG 3.27Å; Q32-E36 PolarHBondContact O-N 3.42Å
33	A	97.6	Very high	96.6	Very high	52 Å²	52	104.6 Å²	104.6	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-38.7	177.4	0	0	0	0	0	112.8	E29 K37	E29-A33 WeakPolarHBondContact O-CB 3.45Å; E29-A33 PolarHBondContact O-N 3.48Å; A33-K37 VanDerWaalsContact O-CB 3.29Å; A33-K37 WeakPolarHBondContact O-CB 3.21Å; A33-K37 PolarHBondContact O-N 2.92Å
34	E	97.3	Very high	96.3	Very high	89 Å²	89	103.1 Å²	103.1	42%	0.416	50%	0.499	S	S	.	.	H	α-helix	trans	-70.1	-37.3	174.8	-170.6	60	-146.2	0	0	111.6	A30 R31 Q32 K37 M38	A30-E34 PolarHBondContact O-N 2.94Å; A30-E34 VanDerWaalsContact O-N 3.14Å; R31-E34 PolarHBondContact O-N 3.46Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 3.38Å; E34-K37 VanDerWaalsContact CD-NZ 3.25Å; E34-K37 PolarHBondContact O-N 3.2Å; E34-K37 IonicContact OE1-NZ 3.76Å; E34-K37 PolarHBondContact OE1-NZ 3.03Å; E34-K37 IonicContact OE2-NZ 2.89Å; E34-K37 PolarHBondContact OE2-NZ 3.3Å; E34-M38 WeakPolarHBondContact O-CB 3.34Å; E34-M38 VanDerWaalsContact O-CG 3.24Å; E34-M38 WeakPolarHBondContact O-CG 3.41Å; E34-M38 PolarHBondContact O-N 2.99Å
35	E	97.3	Very high	95.8	Very high	99 Å²	99	102.7 Å²	102.7	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175.1	-75.1	175.9	178.4	0	0	112.4	R31 Q32 M38 A39	R31-E35 IonicContact CZ-OE1 2.61Å; R31-E35 IonicContact CZ-OE2 3.46Å; R31-E35 IonicContact NH1-OE1 3.81Å; R31-E35 PolarHBondContact NH1-OE1 3.21Å; R31-E35 IonicContact NH1-OE2 4Å; R31-E35 PolarHBondContact NH1-OE2 3.03Å; R31-E35 WeakPolarHBondContact O-CG 3.3Å; R31-E35 PolarHBondContact O-N 3.22Å; Q32-E35 WeakPolarHBondContact O-CB 3.47Å; Q32-E35 PolarHBondContact O-N 3.3Å; Q32-E35 VanDerWaalsContact O-N 3.12Å; E35-M38 PolarHBondContact O-N 3.44Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.17Å
36	E	97.1	Very high	95.2	Very high	135 Å²	135	100.8 Å²	100.8	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-61.6	-44.6	174.3	-72.9	178.3	-175.6	0	0	111.3	Q32 M38 A39 Y40	Q32-E36 WeakPolarHBondContact O-CG 3.27Å; Q32-E36 PolarHBondContact O-N 3.42Å; E36-M38 VanDerWaalsContact C-N 3.35Å; E36-M38 PolarHBondContact O-N 3.14Å; E36-A39 PolarHBondContact O-N 3Å; E36-Y40 WeakPolarHBondContact O-CB 3.44Å; E36-Y40 PolarHBondContact O-N 3.24Å
37	K	96	Very high	94.6	Very high	106 Å²	106	102.1 Å²	102.1	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-58.8	-45.5	174	172.2	168.5	154.2	-105.6	0	111.6	A33 E34 Y40 M41	A33-K37 VanDerWaalsContact O-CB 3.29Å; A33-K37 WeakPolarHBondContact O-CB 3.21Å; A33-K37 PolarHBondContact O-N 2.92Å; E34-K37 VanDerWaalsContact CD-NZ 3.25Å; E34-K37 PolarHBondContact O-N 3.2Å; E34-K37 IonicContact OE1-NZ 3.76Å; E34-K37 PolarHBondContact OE1-NZ 3.03Å; E34-K37 IonicContact OE2-NZ 2.89Å; E34-K37 PolarHBondContact OE2-NZ 3.3Å; K37-Y40 PolarHBondContact O-N 3.41Å; K37-M41 WeakPolarHBondContact O-CB 3.46Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 3.34Å
38	M	94.8	Very high	93.8	Very high	89 Å²	89	101.7 Å²	101.7	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-68.3	-34	178.4	-69.4	-57.6	-66.4	0	0	112.6	E34 E35 E36 R42	E34-M38 WeakPolarHBondContact O-CB 3.34Å; E34-M38 VanDerWaalsContact O-CG 3.24Å; E34-M38 WeakPolarHBondContact O-CG 3.41Å; E34-M38 PolarHBondContact O-N 2.99Å; E35-M38 PolarHBondContact O-N 3.44Å; E36-M38 VanDerWaalsContact C-N 3.35Å; E36-M38 PolarHBondContact O-N 3.14Å; M38-R42 WeakPolarHBondContact O-CG 3.34Å; M38-R42 PolarHBondContact O-N 2.87Å; M38-R42 VanDerWaalsContact O-N 3.1Å; M38-R42 PolarHBondContact O-NE 2.79Å
39	A	95.4	Very high	93.1	Very high	33 Å²	33	103 Å²	103	27%	0.273	53%	0.529	S	S	.	.	H	α-helix	trans	-65.2	-48.8	172.8	0	0	0	0	0	111.1	E35 E36 M41 R42 E43	E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.17Å; E36-A39 PolarHBondContact O-N 3Å; A39-M41 VanDerWaalsContact C-N 3.33Å; A39-M41 PolarHBondContact O-N 2.88Å; A39-R42 WeakPolarHBondContact O-CB 3.48Å; A39-R42 PolarHBondContact O-N 3.34Å; A39-R42 VanDerWaalsContact O-N 3.15Å; A39-E43 PolarHBondContact O-N 2.9Å; A39-E43 VanDerWaalsContact O-N 3.15Å
40	Y	95.6	Very high	92.3	Very high	144 Å²	144	104.3 Å²	104.3	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-57.5	-44.6	175.8	-179.3	-89.8	0	0	0	112	E36 K37 R42 E43 N44	E36-Y40 WeakPolarHBondContact O-CB 3.44Å; E36-Y40 PolarHBondContact O-N 3.24Å; K37-Y40 PolarHBondContact O-N 3.41Å; Y40-R42 VanDerWaalsContact C-N 3.33Å; Y40-R42 PolarHBondContact O-N 3.19Å; Y40-E43 PolarHBondContact O-N 3.48Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.49Å; Y40-N44 HydrophobicContact CE1-CB 4.21Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.4Å; Y40-N44 VanDerWaalsContact CZ-ND2 3.26Å; Y40-N44 WeakPolarHBondContact O-CB 3.4Å; Y40-N44 PolarHBondContact O-N 3.35Å; Y40-N44 PolarHBondContact O-ND2 3.09Å
41	M	94.2	Very high	91.9	Very high	99 Å²	99	103 Å²	103	49%	0.488	52%	0.52	S	S	.	.	H	α-helix	trans	-65.5	-35.5	178.5	-69.3	-63.7	-109.9	0	0	112.2	K37 A39 E43 C45	K37-M41 WeakPolarHBondContact O-CB 3.46Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 3.34Å; A39-M41 VanDerWaalsContact C-N 3.33Å; A39-M41 PolarHBondContact O-N 2.88Å; M41-E43 VanDerWaalsContact C-N 3.33Å; M41-E43 PolarHBondContact O-N 3.24Å; M41-C45 CarbonylContact O-C 3.28Å; M41-C45 VanDerWaalsContact O-C 3.28Å; M41-C45 VanDerWaalsContact O-CA 3.31Å; M41-C45 WeakPolarHBondContact O-CA 3.23Å; M41-C45 WeakPolarHBondContact O-CB 3.44Å; M41-C45 PolarHBondContact O-N 3.47Å; M41-C45 VanDerWaalsContact O-O 3.12Å
42	R	92.4	Very high	91.3	Very high	163 Å²	163	107.5 Å²	107.5	62%	0.615	55%	0.546	S	S	*	.	H	α-helix	trans	-65.1	-36.5	175.7	-81.4	-177.1	-111.4	119.7	-2.8	112.7	M38 A39 Y40	M38-R42 WeakPolarHBondContact O-CG 3.34Å; M38-R42 PolarHBondContact O-N 2.87Å; M38-R42 VanDerWaalsContact O-N 3.1Å; M38-R42 PolarHBondContact O-NE 2.79Å; A39-R42 WeakPolarHBondContact O-CB 3.48Å; A39-R42 PolarHBondContact O-N 3.34Å; A39-R42 VanDerWaalsContact O-N 3.15Å; Y40-R42 VanDerWaalsContact C-N 3.33Å; Y40-R42 PolarHBondContact O-N 3.19Å
43	E	92.5	Very high	91	Very high	158 Å²	158	106 Å²	106	74%	0.738	55%	0.545	S	S	*	.	H	α-helix	trans	-76.9	-43.2	179.3	-69.7	178.7	176.7	0	0	112.3	A39 Y40 M41	A39-E43 PolarHBondContact O-N 2.9Å; A39-E43 VanDerWaalsContact O-N 3.15Å; Y40-E43 PolarHBondContact O-N 3.48Å; M41-E43 VanDerWaalsContact C-N 3.33Å; M41-E43 PolarHBondContact O-N 3.24Å
44	N	91.3	Very high	90.7	Very high	94 Å²	94	108.9 Å²	108.9	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-92.6	-21	-172.6	-64.5	-74.3	0	0	0	114	Y40	Y40-N44 WeakPolarHBondContact CD2-ND2 3.49Å; Y40-N44 HydrophobicContact CE1-CB 4.21Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.4Å; Y40-N44 VanDerWaalsContact CZ-ND2 3.26Å; Y40-N44 WeakPolarHBondContact O-CB 3.4Å; Y40-N44 PolarHBondContact O-N 3.35Å; Y40-N44 PolarHBondContact O-ND2 3.09Å
45	C	87.6	Confident	90.4	Very high	92 Å²	92	110.2 Å²	110.2	62%	0.622	57%	0.566	S	S	*	*	S	Bend	trans	-135.9	69.2	178.3	-166.1	0	0	0	0	109.7	M41	M41-C45 CarbonylContact O-C 3.28Å; M41-C45 VanDerWaalsContact O-C 3.28Å; M41-C45 VanDerWaalsContact O-CA 3.31Å; M41-C45 WeakPolarHBondContact O-CA 3.23Å; M41-C45 WeakPolarHBondContact O-CB 3.44Å; M41-C45 PolarHBondContact O-N 3.47Å; M41-C45 VanDerWaalsContact O-O 3.12Å
46	P	85.5	Confident	90.1	Very high	89 Å²	89	111 Å²	111	58%	0.578	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-63	158.7	-179.9	27.6	-35	0	0	0	111.3	F48	P46-F48 PolarHBondContact O-N 3.39Å
47	T	84.1	Confident	89.8	Confident	143 Å²	143	107.7 Å²	107.7	88%	0.877	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-54.5	126.9	179	-54.9	0	0	0	0	110.7	S49	T47-S49 PolarHBondContact O-N 3.41Å
48	F	81.9	Confident	89.7	Confident	95 Å²	95	108.2 Å²	108.2	42%	0.417	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-64.2	127.3	-176.8	-171.8	-97	0	0	0	111.4	P46 F50 L60 L64	P46-F48 PolarHBondContact O-N 3.39Å; F48-F50 HydrophobicContact CD1-CD1 4.49Å; F48-F50 AromaticContact CD1-CD2 3.72Å; F48-F50 HydrophobicContact CD1-CD2 3.72Å; F48-F50 HydrophobicContact CD1-CE1 4.32Å; F48-F50 AromaticContact CD1-CE2 3.51Å; F48-F50 HydrophobicContact CD1-CE2 3.51Å; F48-F50 HydrophobicContact CD1-CG 4.21Å; F48-F50 AromaticContact CD1-CZ 3.83Å; F48-F50 HydrophobicContact CD1-CZ 3.83Å; F48-F50 AromaticContact CE1-CD1 3.59Å; F48-F50 HydrophobicContact CE1-CD1 3.59Å; F48-F50 AromaticContact CE1-CD2 3.63Å; F48-F50 HydrophobicContact CE1-CD2 3.63Å; F48-F50 AromaticContact CE1-CE1 3.49Å; F48-F50 HydrophobicContact CE1-CE1 3.49Å; F48-F50 VanDerWaalsContact CE1-CE1 3.49Å; F48-F50 AromaticContact CE1-CE2 3.53Å; F48-F50 HydrophobicContact CE1-CE2 3.53Å; F48-F50 AromaticContact CE1-CG 3.65Å; F48-F50 HydrophobicContact CE1-CG 3.65Å; F48-F50 AromaticContact CE1-CZ 3.46Å; F48-F50 HydrophobicContact CE1-CZ 3.46Å; F48-F50 VanDerWaalsContact CE1-CZ 3.46Å; F48-F50 HydrophobicContact CZ-CD1 4.42Å; F48-F50 HydrophobicContact CZ-CE1 4.33Å; F48-L60 HydrophobicContact CE2-CD2 3.66Å; F48-L60 HydrophobicContact CE2-CG 4.29Å; F48-L60 HydrophobicContact CZ-CD2 3.6Å; F48-L60 HydrophobicContact CZ-CG 4.5Å; F48-L64 HydrophobicContact CE2-CD1 3.9Å
49	S	83.3	Confident	89.6	Confident	99 Å²	99	107.7 Å²	107.7	69%	0.692	56%	0.557	S	S	*	*			trans	-111.5	124.2	172.6	-179.5	0	0	0	0	109.3	T47 P51	T47-S49 PolarHBondContact O-N 3.41Å; S49-P51 WeakPolarHBondContact O-CD 3.45Å
50	F	82	Confident	89.4	Confident	153 Å²	153	107.9 Å²	107.9	67%	0.671	55%	0.553	S	S	*	*			trans	-74.5	124.9	176.6	-78.3	-89.3	0	0	0	110.3	F48	F48-F50 HydrophobicContact CD1-CD1 4.49Å; F48-F50 AromaticContact CD1-CD2 3.72Å; F48-F50 HydrophobicContact CD1-CD2 3.72Å; F48-F50 HydrophobicContact CD1-CE1 4.32Å; F48-F50 AromaticContact CD1-CE2 3.51Å; F48-F50 HydrophobicContact CD1-CE2 3.51Å; F48-F50 HydrophobicContact CD1-CG 4.21Å; F48-F50 AromaticContact CD1-CZ 3.83Å; F48-F50 HydrophobicContact CD1-CZ 3.83Å; F48-F50 AromaticContact CE1-CD1 3.59Å; F48-F50 HydrophobicContact CE1-CD1 3.59Å; F48-F50 AromaticContact CE1-CD2 3.63Å; F48-F50 HydrophobicContact CE1-CD2 3.63Å; F48-F50 AromaticContact CE1-CE1 3.49Å; F48-F50 HydrophobicContact CE1-CE1 3.49Å; F48-F50 VanDerWaalsContact CE1-CE1 3.49Å; F48-F50 AromaticContact CE1-CE2 3.53Å; F48-F50 HydrophobicContact CE1-CE2 3.53Å; F48-F50 AromaticContact CE1-CG 3.65Å; F48-F50 HydrophobicContact CE1-CG 3.65Å; F48-F50 AromaticContact CE1-CZ 3.46Å; F48-F50 HydrophobicContact CE1-CZ 3.46Å; F48-F50 VanDerWaalsContact CE1-CZ 3.46Å; F48-F50 HydrophobicContact CZ-CD1 4.42Å; F48-F50 HydrophobicContact CZ-CE1 4.33Å
51	P	87.6	Confident	89.3	Confident	35 Å²	35	104.5 Å²	104.5	23%	0.227	55%	0.549	C	S	.	.			trans	-62.4	145.6	168.9	-18.3	31.2	0	0	0	110.6	S49 E56 L60	S49-P51 WeakPolarHBondContact O-CD 3.45Å; P51-E56 HydrophobicContact CB-CB 3.6Å; P51-E56 HydrophobicContact CG-CB 4.23Å; P51-L60 HydrophobicContact CG-CD2 3.69Å
52	Q	85.6	Confident	89.4	Confident	203 Å²	203	106.3 Å²	106.3	95%	0.949	55%	0.551	S	S	*	*	S	Bend	trans	-84.2	-14.3	178.6	-64.5	-175.7	-3.4	0	0	112.6
53	C	91.3	Very high	89.4	Confident	57 Å²	57	103.2 Å²	103.2	39%	0.385	54%	0.543	S	S	.	.	S	Bend	trans	-105	141.5	-179.6	-178.2	0	0	0	0	111.7	L55 E56 L57	C53-L55 VanDerWaalsContact C-N 3.35Å; C53-L55 PolarHBondContact O-N 3.03Å; C53-E56 HydrophobicContact CB-CB 4.3Å; C53-E56 HydrophobicContact CB-CG 4.05Å; C53-E56 PolarHBondContact O-N 3.43Å; C53-L57 PolarHBondContact O-N 3.31Å; C53-L57 VanDerWaalsContact O-N 3.08Å
54	T	90.9	Very high	89.4	Confident	112 Å²	112	99.3 Å²	99.3	69%	0.687	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-35	179.8	50.6	0	0	0	0	113.2	L57 Q58	T54-L57 PolarHBondContact O-N 3.18Å; T54-Q58 WeakPolarHBondContact O-CG 3.43Å; T54-Q58 PolarHBondContact O-N 2.9Å
55	L	92.3	Very high	89.7	Confident	117 Å²	117	100.7 Å²	100.7	61%	0.613	53%	0.53	S	S	*	.	H	α-helix	trans	-67.1	-45.9	178.3	-177.7	67	0	0	0	111.4	C53 L57 Q58 E59	C53-L55 VanDerWaalsContact C-N 3.35Å; C53-L55 PolarHBondContact O-N 3.03Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 3.46Å; L55-Q58 PolarHBondContact O-N 3.04Å; L55-E59 PolarHBondContact O-N 3.14Å; L55-E59 VanDerWaalsContact O-N 3.07Å
56	E	90.8	Very high	90.1	Very high	114 Å²	114	103 Å²	103	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-38	176.7	-65.7	176.2	170.9	0	0	111.3	P51 C53 E59 L60	P51-E56 HydrophobicContact CB-CB 3.6Å; P51-E56 HydrophobicContact CG-CB 4.23Å; C53-E56 HydrophobicContact CB-CB 4.3Å; C53-E56 HydrophobicContact CB-CG 4.05Å; C53-E56 PolarHBondContact O-N 3.43Å; E56-E59 PolarHBondContact O-N 2.99Å; E56-L60 WeakPolarHBondContact O-CB 3.28Å; E56-L60 PolarHBondContact O-N 2.97Å
57	L	91.5	Very high	90.6	Very high	66 Å²	66	103.9 Å²	103.9	35%	0.346	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-43.9	174.7	-177.4	64	0	0	0	112.1	C53 T54 L55 E59 L60 C61	C53-L57 PolarHBondContact O-N 3.31Å; C53-L57 VanDerWaalsContact O-N 3.08Å; T54-L57 PolarHBondContact O-N 3.18Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 3.46Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.36Å; L57-L60 PolarHBondContact O-N 3.44Å; L57-C61 PolarHBondContact O-N 3.26Å; L57-C61 PolarHBondContact O-SG 2.91Å
58	Q	93.4	Very high	91.2	Very high	117 Å²	117	101.8 Å²	101.8	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-38.3	177.3	-74	179.5	-5.1	0	0	112.6	T54 L55 R62	T54-Q58 WeakPolarHBondContact O-CG 3.43Å; T54-Q58 PolarHBondContact O-N 2.9Å; L55-Q58 PolarHBondContact O-N 3.04Å; Q58-R62 PolarHBondContact O-N 3.43Å
59	E	92.9	Very high	91.9	Very high	79 Å²	79	101.6 Å²	101.6	37%	0.369	51%	0.512	S	S	.	.	H	α-helix	trans	-65.5	-47.7	175.7	-176.3	57.1	-145.3	0	0	111.1	L55 E56 L57 C61 R62 Q63	L55-E59 PolarHBondContact O-N 3.14Å; L55-E59 VanDerWaalsContact O-N 3.07Å; E56-E59 PolarHBondContact O-N 2.99Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.36Å; E59-C61 VanDerWaalsContact C-N 3.33Å; E59-C61 PolarHBondContact O-N 3.02Å; E59-R62 PolarHBondContact O-N 3.47Å; E59-R62 VanDerWaalsContact O-N 3.13Å; E59-R62 IonicContact OE2-CZ 2.87Å; E59-R62 IonicContact OE2-NH1 2.79Å; E59-R62 PolarHBondContact OE2-NH1 2.61Å; E59-R62 IonicContact OE2-NH2 3.82Å; E59-Q63 WeakPolarHBondContact O-CG 3.29Å; E59-Q63 PolarHBondContact O-N 3.35Å; E59-Q63 PolarHBondContact OE1-NE2 3.39Å; E59-Q63 VanDerWaalsContact OE1-NE2 3.07Å
60	L	91.5	Very high	92.6	Very high	37 Å²	37	100.3 Å²	100.3	19%	0.194	50%	0.497	C	S	.	.	H	α-helix	trans	-58.6	-43.4	176.8	-179.6	59.9	0	0	0	112	F48 P51 E56 L57 R62 Q63 L64	F48-L60 HydrophobicContact CE2-CD2 3.66Å; F48-L60 HydrophobicContact CE2-CG 4.29Å; F48-L60 HydrophobicContact CZ-CD2 3.6Å; F48-L60 HydrophobicContact CZ-CG 4.5Å; P51-L60 HydrophobicContact CG-CD2 3.69Å; E56-L60 WeakPolarHBondContact O-CB 3.28Å; E56-L60 PolarHBondContact O-N 2.97Å; L57-L60 PolarHBondContact O-N 3.44Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 2.84Å; L60-Q63 PolarHBondContact O-N 3.47Å; L60-L64 HydrophobicContact CD1-CD1 4.38Å; L60-L64 HydrophobicContact CD1-CG 4.23Å; L60-L64 HydrophobicContact CG-CD1 4.23Å; L60-L64 HydrophobicContact CG-CG 4.5Å; L60-L64 WeakPolarHBondContact O-CG 3.46Å; L60-L64 PolarHBondContact O-N 2.91Å
61	C	93.1	Very high	93.3	Very high	72 Å²	72	96.9 Å²	96.9	49%	0.486	49%	0.488	S	S	.	.	H	α-helix	trans	-60.1	-41.6	175.7	-72.3	0	0	0	0	112.4	L57 E59 H65	L57-C61 PolarHBondContact O-N 3.26Å; L57-C61 PolarHBondContact O-SG 2.91Å; E59-C61 VanDerWaalsContact C-N 3.33Å; E59-C61 PolarHBondContact O-N 3.02Å; C61-H65 WeakPolarHBondContact O-CB 3.43Å; C61-H65 PolarHBondContact O-N 3.37Å
62	R	95.3	Very high	93.7	Very high	137 Å²	137	98.9 Å²	98.9	52%	0.517	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-39.8	176.1	-86.4	-177.4	-92.1	113	0.8	111.9	Q58 E59 L60 K66	Q58-R62 PolarHBondContact O-N 3.43Å; E59-R62 PolarHBondContact O-N 3.47Å; E59-R62 VanDerWaalsContact O-N 3.13Å; E59-R62 IonicContact OE2-CZ 2.87Å; E59-R62 IonicContact OE2-NH1 2.79Å; E59-R62 PolarHBondContact OE2-NH1 2.61Å; E59-R62 IonicContact OE2-NH2 3.82Å; L60-R62 VanDerWaalsContact C-N 3.33Å; L60-R62 PolarHBondContact O-N 2.84Å; R62-K66 PolarHBondContact O-N 3.39Å
63	Q	93.3	Very high	94.3	Very high	99 Å²	99	95.2 Å²	95.2	46%	0.463	48%	0.48	S	S	.	.	H	α-helix	trans	-64.5	-48	176.6	-70.6	173.9	1.6	0	0	111.8	E59 L60 H65 K66 Q67	E59-Q63 WeakPolarHBondContact O-CG 3.29Å; E59-Q63 PolarHBondContact O-N 3.35Å; E59-Q63 PolarHBondContact OE1-NE2 3.39Å; E59-Q63 VanDerWaalsContact OE1-NE2 3.07Å; L60-Q63 PolarHBondContact O-N 3.47Å; Q63-H65 PolarHBondContact O-N 3.45Å; Q63-K66 PolarHBondContact O-N 3.16Å; Q63-Q67 WeakPolarHBondContact O-CG 3.31Å; Q63-Q67 PolarHBondContact O-N 3Å
64	L	93.1	Very high	94.6	Very high	76 Å²	76	98.7 Å²	98.7	40%	0.398	49%	0.491	S	S	.	.	H	α-helix	trans	-61.3	-42.9	177.8	-72.9	175.4	0	0	0	112.2	F48 L60 K66 Q67 I68	F48-L64 HydrophobicContact CE2-CD1 3.9Å; L60-L64 HydrophobicContact CD1-CD1 4.38Å; L60-L64 HydrophobicContact CD1-CG 4.23Å; L60-L64 HydrophobicContact CG-CD1 4.23Å; L60-L64 HydrophobicContact CG-CG 4.5Å; L60-L64 WeakPolarHBondContact O-CG 3.46Å; L60-L64 PolarHBondContact O-N 2.91Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.89Å; L64-Q67 PolarHBondContact O-N 2.93Å; L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 3.44Å
65	H	96.3	Very high	94.9	Very high	122 Å²	122	99.5 Å²	99.5	57%	0.565	48%	0.481	S	S	*	.	H	α-helix	trans	-58.1	-46.8	176.9	-171.6	-68.4	0	0	0	111.6	C61 Q63 Q67 I68 D69	C61-H65 WeakPolarHBondContact O-CB 3.43Å; C61-H65 PolarHBondContact O-N 3.37Å; Q63-H65 PolarHBondContact O-N 3.45Å; H65-Q67 VanDerWaalsContact C-N 3.32Å; H65-Q67 PolarHBondContact O-N 3.19Å; H65-I68 PolarHBondContact O-N 3.31Å; H65-D69 IonicContact CE1-OD1 2.67Å; H65-D69 IonicContact CE1-OD2 2.93Å; H65-D69 PolarHBondContact CE1-OD2 2.94Å; H65-D69 IonicContact ND1-OD2 3.8Å; H65-D69 PolarHBondContact ND1-OD2 3.42Å; H65-D69 PolarHBondContact O-N 3.45Å
66	K	96.9	Very high	95.2	Very high	141 Å²	141	100 Å²	100	61%	0.613	48%	0.475	S	S	*	.	H	α-helix	trans	-63	-39.1	176.8	-176.3	180	177.6	-176	0	112.2	R62 Q63 L64 D69 L70	R62-K66 PolarHBondContact O-N 3.39Å; Q63-K66 PolarHBondContact O-N 3.16Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.89Å; K66-D69 PolarHBondContact O-N 2.91Å; K66-L70 WeakPolarHBondContact O-CG 3.48Å; K66-L70 PolarHBondContact O-N 2.91Å
67	Q	95.3	Very high	95.6	Very high	107 Å²	107	98.6 Å²	98.6	50%	0.5	47%	0.472	S	S	.	.	H	α-helix	trans	-66.1	-39	177.4	-72.5	-66.1	-21.5	0	0	111.9	Q63 L64 H65 D69 L70 V71	Q63-Q67 WeakPolarHBondContact O-CG 3.31Å; Q63-Q67 PolarHBondContact O-N 3Å; L64-Q67 PolarHBondContact O-N 2.93Å; H65-Q67 VanDerWaalsContact C-N 3.32Å; H65-Q67 PolarHBondContact O-N 3.19Å; Q67-D69 VanDerWaalsContact C-N 3.34Å; Q67-D69 PolarHBondContact O-N 3.23Å; Q67-L70 PolarHBondContact O-N 3Å; Q67-V71 WeakPolarHBondContact O-CB 3.34Å; Q67-V71 VanDerWaalsContact O-CG2 3.3Å; Q67-V71 WeakPolarHBondContact O-CG2 3.48Å; Q67-V71 PolarHBondContact O-N 2.9Å
68	I	96.1	Very high	95.9	Very high	99 Å²	99	100.8 Å²	100.8	51%	0.508	48%	0.482	S	S	.	.	H	α-helix	trans	-58.4	-48.6	175.4	-70.7	162.7	0	0	0	110.2	L64 H65 L70 V71 D72	L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 3.44Å; H65-I68 PolarHBondContact O-N 3.31Å; I68-L70 VanDerWaalsContact C-N 3.31Å; I68-L70 PolarHBondContact O-N 3Å; I68-V71 PolarHBondContact O-N 3.02Å; I68-D72 WeakPolarHBondContact O-CB 3.39Å; I68-D72 PolarHBondContact O-N 3.5Å
69	D	97.7	Very high	96.1	Very high	91 Å²	91	98.7 Å²	98.7	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-57.6	-44.4	-179.8	-64.5	-36.5	0	0	0	111.8	H65 K66 Q67 E73	H65-D69 IonicContact CE1-OD1 2.67Å; H65-D69 IonicContact CE1-OD2 2.93Å; H65-D69 PolarHBondContact CE1-OD2 2.94Å; H65-D69 IonicContact ND1-OD2 3.8Å; H65-D69 PolarHBondContact ND1-OD2 3.42Å; H65-D69 PolarHBondContact O-N 3.45Å; K66-D69 PolarHBondContact O-N 2.91Å; Q67-D69 VanDerWaalsContact C-N 3.34Å; Q67-D69 PolarHBondContact O-N 3.23Å; D69-E73 PolarHBondContact O-N 2.97Å
70	L	96.8	Very high	96.3	Very high	73 Å²	73	98 Å²	98	38%	0.382	47%	0.469	S	S	.	.	H	α-helix	trans	-66.7	-47.4	178.3	-67.6	172	0	0	0	112.4	K66 Q67 I68 D72 E73 E74	K66-L70 WeakPolarHBondContact O-CG 3.48Å; K66-L70 PolarHBondContact O-N 2.91Å; Q67-L70 PolarHBondContact O-N 3Å; I68-L70 VanDerWaalsContact C-N 3.31Å; I68-L70 PolarHBondContact O-N 3Å; L70-D72 VanDerWaalsContact C-N 3.29Å; L70-D72 PolarHBondContact O-N 3.35Å; L70-E73 WeakPolarHBondContact O-CB 3.41Å; L70-E73 PolarHBondContact O-N 3.19Å; L70-E74 WeakPolarHBondContact O-CG 3.37Å; L70-E74 PolarHBondContact O-N 3.4Å
71	V	96.7	Very high	96.6	Very high	80 Å²	80	102 Å²	102	49%	0.485	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-35.9	-179.1	170.2	0	0	0	0	111	Q67 I68 E74 R75	Q67-V71 WeakPolarHBondContact O-CB 3.34Å; Q67-V71 VanDerWaalsContact O-CG2 3.3Å; Q67-V71 WeakPolarHBondContact O-CG2 3.48Å; Q67-V71 PolarHBondContact O-N 2.9Å; I68-V71 PolarHBondContact O-N 3.02Å; V71-E74 PolarHBondContact O-N 3.27Å; V71-R75 VanDerWaalsContact O-CB 3.23Å; V71-R75 WeakPolarHBondContact O-CB 3.44Å; V71-R75 PolarHBondContact O-N 3.5Å
72	D	97.9	Very high	96.9	Very high	78 Å²	78	102.4 Å²	102.4	42%	0.417	49%	0.486	S	S	.	.	H	α-helix	trans	-69.3	-35.8	176.3	-100.7	-26.8	0	0	0	112.7	I68 L70 R75 Y76	I68-D72 WeakPolarHBondContact O-CB 3.39Å; I68-D72 PolarHBondContact O-N 3.5Å; L70-D72 VanDerWaalsContact C-N 3.29Å; L70-D72 PolarHBondContact O-N 3.35Å; D72-R75 PolarHBondContact O-N 3.31Å; D72-R75 IonicContact OD1-CZ 3.52Å; D72-R75 IonicContact OD1-NE 3.54Å; D72-R75 PolarHBondContact OD1-NE 3.39Å; D72-R75 IonicContact OD1-NH2 2.86Å; D72-Y76 WeakPolarHBondContact O-CB 3.45Å; D72-Y76 PolarHBondContact O-N 3.47Å
73	E	97.8	Very high	97	Very high	126 Å²	126	100.9 Å²	100.9	59%	0.589	48%	0.483	S	S	*	.	H	α-helix	trans	-62.1	-49.3	171.4	-174.6	177.4	-175.7	0	0	110.9	D69 L70 R75 Y76 D77	D69-E73 PolarHBondContact O-N 2.97Å; L70-E73 WeakPolarHBondContact O-CB 3.41Å; L70-E73 PolarHBondContact O-N 3.19Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.45Å; E73-Y76 WeakPolarHBondContact O-CB 3.47Å; E73-Y76 PolarHBondContact O-N 3.37Å; E73-Y76 VanDerWaalsContact O-N 3.16Å; E73-D77 PolarHBondContact O-N 2.91Å
74	E	97.3	Very high	97.3	Very high	130 Å²	130	103.2 Å²	103.2	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-60	-42.4	176.4	-70	179.1	175	0	0	112	L70 V71 Y76 D77 M78	L70-E74 WeakPolarHBondContact O-CG 3.37Å; L70-E74 PolarHBondContact O-N 3.4Å; V71-E74 PolarHBondContact O-N 3.27Å; E74-Y76 VanDerWaalsContact C-N 3.33Å; E74-Y76 PolarHBondContact O-N 2.95Å; E74-D77 PolarHBondContact O-N 3.44Å; E74-M78 WeakPolarHBondContact O-CB 3.32Å; E74-M78 VanDerWaalsContact O-CG 3.28Å; E74-M78 WeakPolarHBondContact O-CG 3.38Å; E74-M78 PolarHBondContact O-N 3.15Å
75	R	98	Very high	97.5	Very high	129 Å²	129	102.8 Å²	102.8	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-44.3	175.7	-173.1	-167.9	66.2	67.6	3.2	110.9	V71 D72 E73 M78 E79	V71-R75 VanDerWaalsContact O-CB 3.23Å; V71-R75 WeakPolarHBondContact O-CB 3.44Å; V71-R75 PolarHBondContact O-N 3.5Å; D72-R75 PolarHBondContact O-N 3.31Å; D72-R75 IonicContact OD1-CZ 3.52Å; D72-R75 IonicContact OD1-NE 3.54Å; D72-R75 PolarHBondContact OD1-NE 3.39Å; D72-R75 IonicContact OD1-NH2 2.86Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.45Å; R75-M78 PolarHBondContact O-N 3.43Å; R75-E79 IonicContact NH1-OE2 2.91Å; R75-E79 PolarHBondContact NH1-OE2 2.92Å; R75-E79 WeakPolarHBondContact O-CB 3.45Å; R75-E79 PolarHBondContact O-N 3.06Å
76	Y	98.1	Very high	97.6	Very high	126 Å²	126	100.9 Å²	100.9	49%	0.494	49%	0.488	S	S	.	.	H	α-helix	trans	-61.2	-47.1	178	179.6	-92.1	0	0	0	111.4	D72 E73 E74 M78 E79 M80	D72-Y76 WeakPolarHBondContact O-CB 3.45Å; D72-Y76 PolarHBondContact O-N 3.47Å; E73-Y76 WeakPolarHBondContact O-CB 3.47Å; E73-Y76 PolarHBondContact O-N 3.37Å; E73-Y76 VanDerWaalsContact O-N 3.16Å; E74-Y76 VanDerWaalsContact C-N 3.33Å; E74-Y76 PolarHBondContact O-N 2.95Å; Y76-M78 VanDerWaalsContact C-N 3.35Å; Y76-M78 PolarHBondContact O-N 2.93Å; Y76-E79 PolarHBondContact O-N 3.03Å; Y76-M80 HydrophobicContact CD1-CG 4.1Å; Y76-M80 HydrophobicContact CE1-CG 3.68Å; Y76-M80 HydrophobicContact CE2-CG 4.4Å; Y76-M80 VanDerWaalsContact O-CG 3.32Å; Y76-M80 WeakPolarHBondContact O-CG 3.49Å; Y76-M80 PolarHBondContact O-N 3.29Å
77	D	98.1	Very high	97.7	Very high	85 Å²	85	101 Å²	101	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-42.1	178.4	-88.4	-5.1	0	0	0	112.5	E73 E74 M80 K81	E73-D77 PolarHBondContact O-N 2.91Å; E74-D77 PolarHBondContact O-N 3.44Å; D77-M80 PolarHBondContact O-N 2.9Å; D77-K81 WeakPolarHBondContact O-CG 3.48Å; D77-K81 PolarHBondContact O-N 3.3Å
78	M	97.5	Very high	97.8	Very high	112 Å²	112	101.8 Å²	101.8	55%	0.552	49%	0.492	S	S	*	.	H	α-helix	trans	-64.5	-43.9	175.8	-71.2	-62.7	-74.4	0	0	111.5	E74 R75 Y76 M80 K81 V82	E74-M78 WeakPolarHBondContact O-CB 3.32Å; E74-M78 VanDerWaalsContact O-CG 3.28Å; E74-M78 WeakPolarHBondContact O-CG 3.38Å; E74-M78 PolarHBondContact O-N 3.15Å; R75-M78 PolarHBondContact O-N 3.43Å; Y76-M78 VanDerWaalsContact C-N 3.35Å; Y76-M78 PolarHBondContact O-N 2.93Å; M78-M80 VanDerWaalsContact C-N 3.3Å; M78-M80 PolarHBondContact O-N 2.91Å; M78-K81 WeakPolarHBondContact O-CB 3.36Å; M78-K81 PolarHBondContact O-N 3.3Å; M78-K81 HydrophobicContact SD-CD 4.2Å; M78-V82 WeakPolarHBondContact O-CG2 3.31Å; M78-V82 PolarHBondContact O-N 2.84Å
79	E	98	Very high	97.9	Very high	73 Å²	73	100.8 Å²	100.8	34%	0.341	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-40.9	175.9	-169.8	-175.1	159.2	0	0	111.4	R75 Y76 K81 V82 K83	R75-E79 IonicContact NH1-OE2 2.91Å; R75-E79 PolarHBondContact NH1-OE2 2.92Å; R75-E79 WeakPolarHBondContact O-CB 3.45Å; R75-E79 PolarHBondContact O-N 3.06Å; Y76-E79 PolarHBondContact O-N 3.03Å; E79-K81 PolarHBondContact O-N 3.18Å; E79-V82 PolarHBondContact O-N 3.41Å; E79-K83 HydrophobicContact CG-CD 4.47Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.88Å; E79-K83 WeakPolarHBondContact OE1-CE 3.48Å; E79-K83 IonicContact OE1-NZ 3.65Å; E79-K83 PolarHBondContact OE1-NZ 3.07Å
80	M	98.1	Very high	97.9	Very high	65 Å²	65	100.4 Å²	100.4	32%	0.32	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-35.3	177	-72.7	-60.2	-72	0	0	112.7	Y76 D77 M78 K83 K84	Y76-M80 HydrophobicContact CD1-CG 4.1Å; Y76-M80 HydrophobicContact CE1-CG 3.68Å; Y76-M80 HydrophobicContact CE2-CG 4.4Å; Y76-M80 VanDerWaalsContact O-CG 3.32Å; Y76-M80 WeakPolarHBondContact O-CG 3.49Å; Y76-M80 PolarHBondContact O-N 3.29Å; D77-M80 PolarHBondContact O-N 2.9Å; M78-M80 VanDerWaalsContact C-N 3.3Å; M78-M80 PolarHBondContact O-N 2.91Å; M80-K83 HydrophobicContact SD-CD 4.17Å; M80-K84 WeakPolarHBondContact O-CG 3.36Å; M80-K84 PolarHBondContact O-N 3.05Å; M80-K84 VanDerWaalsContact O-N 3.15Å
81	K	98.3	Very high	97.9	Very high	121 Å²	121	101 Å²	101	53%	0.526	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-47.1	172.5	-71.5	168.9	-173.1	167.8	0	111.1	D77 M78 E79 K83 K84 C85	D77-K81 WeakPolarHBondContact O-CG 3.48Å; D77-K81 PolarHBondContact O-N 3.3Å; M78-K81 WeakPolarHBondContact O-CB 3.36Å; M78-K81 PolarHBondContact O-N 3.3Å; M78-K81 HydrophobicContact SD-CD 4.2Å; E79-K81 PolarHBondContact O-N 3.18Å; K81-K83 PolarHBondContact O-N 3.22Å; K81-K84 WeakPolarHBondContact O-CB 3.45Å; K81-K84 PolarHBondContact O-N 3.04Å; K81-K84 VanDerWaalsContact O-N 3.17Å; K81-C85 PolarHBondContact O-N 3.15Å; K81-C85 PolarHBondContact O-SG 3.19Å; K81-C85 VanDerWaalsContact O-SG 3.41Å
82	V	98.4	Very high	97.9	Very high	81 Å²	81	101.4 Å²	101.4	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-58	-47.9	176.8	172.9	0	0	0	0	110.8	M78 E79 K84 C85 D86	M78-V82 WeakPolarHBondContact O-CG2 3.31Å; M78-V82 PolarHBondContact O-N 2.84Å; E79-V82 PolarHBondContact O-N 3.41Å; V82-K84 VanDerWaalsContact C-N 3.28Å; V82-K84 PolarHBondContact O-N 3.4Å; V82-C85 WeakPolarHBondContact O-CB 3.48Å; V82-C85 PolarHBondContact O-N 3.07Å; V82-C85 VanDerWaalsContact O-N 3.07Å; V82-D86 PolarHBondContact O-N 2.67Å
83	K	98.3	Very high	97.7	Very high	105 Å²	105	102.9 Å²	102.9	46%	0.457	49%	0.49	S	S	.	.	H	α-helix	trans	-57.3	-38.2	176.9	-75.6	173.3	-177.6	164.1	0	113.4	E79 M80 K81 K87	E79-K83 HydrophobicContact CG-CD 4.47Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.88Å; E79-K83 WeakPolarHBondContact OE1-CE 3.48Å; E79-K83 IonicContact OE1-NZ 3.65Å; E79-K83 PolarHBondContact OE1-NZ 3.07Å; M80-K83 HydrophobicContact SD-CD 4.17Å; K81-K83 PolarHBondContact O-N 3.22Å; K83-K87 WeakPolarHBondContact O-CB 3.28Å; K83-K87 PolarHBondContact O-N 3.43Å; K83-K87 VanDerWaalsContact O-N 3.07Å
84	K	98.1	Very high	97.3	Very high	147 Å²	147	101.5 Å²	101.5	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-65.8	-45.4	175.7	-74.4	173.3	-178	175.7	0	111	M80 K81 V82 K87 E88	M80-K84 WeakPolarHBondContact O-CG 3.36Å; M80-K84 PolarHBondContact O-N 3.05Å; M80-K84 VanDerWaalsContact O-N 3.15Å; K81-K84 WeakPolarHBondContact O-CB 3.45Å; K81-K84 PolarHBondContact O-N 3.04Å; K81-K84 VanDerWaalsContact O-N 3.17Å; V82-K84 VanDerWaalsContact C-N 3.28Å; V82-K84 PolarHBondContact O-N 3.4Å; K84-K87 PolarHBondContact O-N 3.26Å; K84-E88 PolarHBondContact O-N 3.17Å
85	C	98.3	Very high	97.1	Very high	67 Å²	67	101.5 Å²	101.5	45%	0.453	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-44.7	176.6	-65.9	0	0	0	0	111.9	K81 V82 K87 E88 I89	K81-C85 PolarHBondContact O-N 3.15Å; K81-C85 PolarHBondContact O-SG 3.19Å; K81-C85 VanDerWaalsContact O-SG 3.41Å; V82-C85 WeakPolarHBondContact O-CB 3.48Å; V82-C85 PolarHBondContact O-N 3.07Å; V82-C85 VanDerWaalsContact O-N 3.07Å; C85-K87 VanDerWaalsContact C-N 3.33Å; C85-K87 PolarHBondContact O-N 3.45Å; C85-E88 PolarHBondContact O-N 2.93Å; C85-I89 WeakPolarHBondContact O-CB 3.4Å; C85-I89 VanDerWaalsContact O-CG1 3.28Å; C85-I89 WeakPolarHBondContact O-CG1 3.23Å; C85-I89 PolarHBondContact O-N 3.28Å
86	D	98.3	Very high	96.8	Very high	82 Å²	82	99.1 Å²	99.1	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-60.2	-44.1	177.7	-72.7	-24.6	0	0	0	111.6	V82 E88 I89 D90	V82-D86 PolarHBondContact O-N 2.67Å; D86-E88 PolarHBondContact O-N 3.43Å; D86-I89 PolarHBondContact O-N 3.34Å; D86-D90 PolarHBondContact O-N 2.91Å
87	K	98.2	Very high	96.3	Very high	144 Å²	144	98.4 Å²	98.4	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-60.2	-45.3	175.9	-175.8	173.6	-178.5	174	0	111.8	K83 K84 C85 D90 D91	K83-K87 WeakPolarHBondContact O-CB 3.28Å; K83-K87 PolarHBondContact O-N 3.43Å; K83-K87 VanDerWaalsContact O-N 3.07Å; K84-K87 PolarHBondContact O-N 3.26Å; C85-K87 VanDerWaalsContact C-N 3.33Å; C85-K87 PolarHBondContact O-N 3.45Å; K87-D90 PolarHBondContact O-N 3.47Å; K87-D91 PolarHBondContact O-N 2.91Å
88	E	98.1	Very high	95.8	Very high	124 Å²	124	99.6 Å²	99.6	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-62.9	-43	177	-176.4	175	-174.1	0	0	111.7	K84 C85 D86 D90 D91 L92	K84-E88 PolarHBondContact O-N 3.17Å; C85-E88 PolarHBondContact O-N 2.93Å; D86-E88 PolarHBondContact O-N 3.43Å; E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 2.95Å; E88-D91 PolarHBondContact O-N 3.31Å; E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 HydrophobicContact CG-CG 4.5Å; E88-L92 WeakPolarHBondContact O-CB 3.41Å; E88-L92 VanDerWaalsContact O-CG 3.23Å; E88-L92 WeakPolarHBondContact O-CG 3.3Å; E88-L92 PolarHBondContact O-N 2.84Å
89	I	97.9	Very high	95.2	Very high	77 Å²	77	101.5 Å²	101.5	40%	0.395	50%	0.501	S	S	.	.	H	α-helix	trans	-58.9	-44.7	175.8	-73.2	167.6	0	0	0	110.7	C85 D86 L92 K93	C85-I89 WeakPolarHBondContact O-CB 3.4Å; C85-I89 VanDerWaalsContact O-CG1 3.28Å; C85-I89 WeakPolarHBondContact O-CG1 3.23Å; C85-I89 PolarHBondContact O-N 3.28Å; D86-I89 PolarHBondContact O-N 3.34Å; I89-L92 PolarHBondContact O-N 3.27Å; I89-K93 HydrophobicContact CG2-CD 4.18Å; I89-K93 HydrophobicContact CG2-CG 4.44Å; I89-K93 VanDerWaalsContact O-CG 3.3Å; I89-K93 WeakPolarHBondContact O-CG 3.18Å; I89-K93 PolarHBondContact O-N 3.38Å
90	D	97.3	Very high	94.4	Very high	84 Å²	84	104 Å²	104	45%	0.449	52%	0.517	S	S	.	.	H	α-helix	trans	-69.5	-40	-179.2	-75.1	-14.4	0	0	0	112.3	D86 K87 E88 L92 K93 M94	D86-D90 PolarHBondContact O-N 2.91Å; K87-D90 PolarHBondContact O-N 3.47Å; E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 2.95Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 3.22Å; D90-K93 PolarHBondContact O-N 3.02Å; D90-K93 IonicContact OD1-NZ 3.2Å; D90-K93 PolarHBondContact OD1-NZ 3.46Å; D90-M94 WeakPolarHBondContact O-CG 3.48Å; D90-M94 PolarHBondContact O-N 3Å
91	D	96.6	Very high	93.2	Very high	86 Å²	86	102.4 Å²	102.4	46%	0.46	52%	0.518	S	S	.	.	H	α-helix	trans	-59.8	-41.6	172.1	-74.4	-17.3	0	0	0	111.3	K87 E88 M94 K95	K87-D91 PolarHBondContact O-N 2.91Å; E88-D91 PolarHBondContact O-N 3.31Å; D91-M94 PolarHBondContact O-N 2.91Å; D91-K95 WeakPolarHBondContact O-CG 3.34Å; D91-K95 PolarHBondContact O-N 3.2Å
92	L	96.6	Very high	91.6	Very high	87 Å²	87	107.1 Å²	107.1	46%	0.455	53%	0.532	S	S	.	.	H	α-helix	trans	-67.7	-41.9	176.1	-71.2	172.8	0	0	0	112	E88 I89 D90 M94 K95 V96	E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 HydrophobicContact CG-CG 4.5Å; E88-L92 WeakPolarHBondContact O-CB 3.41Å; E88-L92 VanDerWaalsContact O-CG 3.23Å; E88-L92 WeakPolarHBondContact O-CG 3.3Å; E88-L92 PolarHBondContact O-N 2.84Å; I89-L92 PolarHBondContact O-N 3.27Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 3.22Å; L92-M94 VanDerWaalsContact C-N 3.31Å; L92-M94 PolarHBondContact O-N 2.95Å; L92-K95 PolarHBondContact O-N 2.95Å; L92-V96 WeakPolarHBondContact O-CG2 3.4Å; L92-V96 PolarHBondContact O-N 2.95Å
93	K	94.3	Very high	89.9	Confident	110 Å²	110	111.8 Å²	111.8	48%	0.478	55%	0.546	S	S	.	.	H	α-helix	trans	-59.4	-43	174.6	-75.6	173.3	-166.5	151.7	0	111.2	I89 D90 V96 Q97	I89-K93 HydrophobicContact CG2-CD 4.18Å; I89-K93 HydrophobicContact CG2-CG 4.44Å; I89-K93 VanDerWaalsContact O-CG 3.3Å; I89-K93 WeakPolarHBondContact O-CG 3.18Å; I89-K93 PolarHBondContact O-N 3.38Å; D90-K93 PolarHBondContact O-N 3.02Å; D90-K93 IonicContact OD1-NZ 3.2Å; D90-K93 PolarHBondContact OD1-NZ 3.46Å; K93-V96 PolarHBondContact O-N 3.33Å; K93-Q97 WeakPolarHBondContact O-CG 3.35Å; K93-Q97 PolarHBondContact O-N 3.45Å
94	M	90.8	Very high	88.5	Confident	96 Å²	96	115.9 Å²	115.9	47%	0.473	56%	0.564	S	S	.	*	H	α-helix	trans	-60.9	-48.6	175.7	-71.4	-68.1	98.9	0	0	111.4	D90 D91 L92 V96 Q97 D98	D90-M94 WeakPolarHBondContact O-CG 3.48Å; D90-M94 PolarHBondContact O-N 3Å; D91-M94 PolarHBondContact O-N 2.91Å; L92-M94 VanDerWaalsContact C-N 3.31Å; L92-M94 PolarHBondContact O-N 2.95Å; M94-V96 VanDerWaalsContact C-N 3.3Å; M94-V96 PolarHBondContact O-N 3.35Å; M94-Q97 WeakPolarHBondContact O-CB 3.39Å; M94-Q97 PolarHBondContact O-N 3.04Å; M94-D98 PolarHBondContact O-N 2.97Å
95	K	92.1	Very high	86.8	Confident	131 Å²	131	117.8 Å²	117.8	57%	0.57	57%	0.572	S	S	*	*	H	α-helix	trans	-57.1	-42.5	175.3	-72.6	171.7	-177.1	172.1	0	112.4	D91 L92 Q97 D98 L99	D91-K95 WeakPolarHBondContact O-CG 3.34Å; D91-K95 PolarHBondContact O-N 3.2Å; L92-K95 PolarHBondContact O-N 2.95Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 2.99Å; K95-D98 PolarHBondContact O-N 3.32Å; K95-L99 WeakPolarHBondContact O-CB 3.2Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.29Å; K95-L99 PolarHBondContact O-N 3.34Å
96	V	91.4	Very high	85.5	Confident	78 Å²	78	120.1 Å²	120.1	47%	0.473	59%	0.587	S	S	.	*	H	α-helix	trans	-63.2	-38.1	176.5	169.3	0	0	0	0	111.5	L92 K93 M94 N100	L92-V96 WeakPolarHBondContact O-CG2 3.4Å; L92-V96 PolarHBondContact O-N 2.95Å; K93-V96 PolarHBondContact O-N 3.33Å; M94-V96 VanDerWaalsContact C-N 3.3Å; M94-V96 PolarHBondContact O-N 3.35Å; V96-N100 WeakPolarHBondContact CG1-ND2 3.35Å; V96-N100 VanDerWaalsContact O-CB 3.3Å; V96-N100 WeakPolarHBondContact O-CB 3.3Å; V96-N100 PolarHBondContact O-N 3.23Å; V96-N100 PolarHBondContact O-ND2 3.29Å
97	Q	87.6	Confident	84.2	Confident	112 Å²	112	121.1 Å²	121.1	52%	0.523	60%	0.596	S	S	.	*	H	α-helix	trans	-66.5	-43.1	175.7	-73.2	-176.1	0.5	0	0	112.1	K93 M94 K95 N100 G101	K93-Q97 WeakPolarHBondContact O-CG 3.35Å; K93-Q97 PolarHBondContact O-N 3.45Å; M94-Q97 WeakPolarHBondContact O-CB 3.39Å; M94-Q97 PolarHBondContact O-N 3.04Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 2.99Å; Q97-N100 PolarHBondContact O-N 2.93Å; Q97-G101 CarbonylContact O-C 3.52Å; Q97-G101 PolarHBondContact O-N 3.06Å
98	D	87	Confident	82.8	Confident	110 Å²	110	122.9 Å²	122.9	59%	0.588	61%	0.611	S	S	*	*	H	α-helix	trans	-63	-43.6	177.3	-71.2	-24.1	0	0	0	111.4	M94 K95 G101	M94-D98 PolarHBondContact O-N 2.97Å; K95-D98 PolarHBondContact O-N 3.32Å; D98-G101 PolarHBondContact O-N 3.26Å; D98-G101 VanDerWaalsContact O-N 3.14Å
99	L	86.1	Confident	81.6	Confident	151 Å²	151	126.9 Å²	126.9	79%	0.791	62%	0.621	S	S	*	*	H	α-helix	trans	-64	-41	175.9	-71.7	174	0	0	0	113	K95 G101	K95-L99 WeakPolarHBondContact O-CB 3.2Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.29Å; K95-L99 PolarHBondContact O-N 3.34Å; L99-G101 PolarHBondContact O-N 3.44Å
100	N	80.1	Confident	80.3	Confident	125 Å²	125	134 Å²	134	67%	0.668	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-3.4	176.9	-76.8	-31	0	0	0	113.2	V96 Q97	V96-N100 WeakPolarHBondContact CG1-ND2 3.35Å; V96-N100 VanDerWaalsContact O-CB 3.3Å; V96-N100 WeakPolarHBondContact O-CB 3.3Å; V96-N100 PolarHBondContact O-N 3.23Å; V96-N100 PolarHBondContact O-ND2 3.29Å; Q97-N100 PolarHBondContact O-N 2.93Å
101	G	74.3	Confident	79.2	Confident	33 Å²	33	136.3 Å²	136.3	34%	0.34	66%	0.66	S	S	.	*			trans	78.1	115.9	-175.5	0	0	0	0	0	111.3	Q97 D98 L99 F103	Q97-G101 CarbonylContact O-C 3.52Å; Q97-G101 PolarHBondContact O-N 3.06Å; D98-G101 PolarHBondContact O-N 3.26Å; D98-G101 VanDerWaalsContact O-N 3.14Å; L99-G101 PolarHBondContact O-N 3.44Å; G101-F103 CarbonylContact O-C 3.4Å; G101-F103 PolarHBondContact O-N 3.41Å
102	R	63.7	Low	78.2	Confident	220 Å²	220	142.1 Å²	142.1	83%	0.83	68%	0.675	S	S	*	*	S	Bend	trans	-49	-29.1	176.1	-161.1	177.6	-158.4	-126.9	3.8	113.4
103	F	63.2	Low	77.2	Confident	178 Å²	178	144.7 Å²	144.7	78%	0.781	69%	0.686	S	S	*	*	S	Bend	trans	-109.6	107.9	168.9	-75.9	-92.5	0	0	0	110	G101 K105	G101-F103 CarbonylContact O-C 3.4Å; G101-F103 PolarHBondContact O-N 3.41Å; F103-K105 VanDerWaalsContact C-N 3.32Å; F103-K105 PolarHBondContact O-N 3.46Å
104	K	67.8	Low	76.4	Confident	192 Å²	192	142.6 Å²	142.6	84%	0.835	69%	0.686	S	S	*	*			trans	-61.9	98	160.8	-70.3	-175.2	-179.5	179	0	107.5	P106	K104-P106 WeakPolarHBondContact O-CD 3.35Å
105	K	63.3	Low	75.6	Confident	187 Å²	187	141.4 Å²	141.4	81%	0.813	69%	0.691	S	S	*	*			trans	-52.9	115.4	173.4	-172.7	173.1	-176.8	175.6	0	107.3	F103 T107	F103-K105 VanDerWaalsContact C-N 3.32Å; F103-K105 PolarHBondContact O-N 3.46Å; K105-T107 PolarHBondContact O-N 2.93Å
106	P	70.1	Confident	74.5	Confident	116 Å²	116	138.6 Å²	138.6	75%	0.753	68%	0.682	S	S	*	*			trans	-57.8	115.8	179.8	-23.4	33.4	0	0	0	108	K104 L108	K104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-L108 PolarHBondContact O-N 3.25Å
107	T	71.7	Confident	73.7	Confident	102 Å²	102	136.6 Å²	136.6	63%	0.626	67%	0.674	S	S	*	*			trans	-58.3	128.8	176.2	52.9	0	0	0	0	107.7	K105 R109	K105-T107 PolarHBondContact O-N 2.93Å; T107-R109 VanDerWaalsContact C-N 3.34Å; T107-R109 WeakPolarHBondContact O-CG 3.27Å; T107-R109 PolarHBondContact O-N 3.32Å
108	L	69.8	Low	73.2	Confident	181 Å²	181	136.3 Å²	136.3	95%	0.948	67%	0.674	S	S	*	*			trans	-59.1	98	174.2	-66.3	174.9	0	0	0	108.6	P106	P106-L108 PolarHBondContact O-N 3.25Å
109	R	71.7	Confident	72.6	Confident	209 Å²	209	135 Å²	135	79%	0.789	67%	0.666	S	S	*	*			trans	-83.6	127.9	175.8	-66.9	-170.8	179.1	-147.8	0.9	107.4	T107 V111	T107-R109 VanDerWaalsContact C-N 3.34Å; T107-R109 WeakPolarHBondContact O-CG 3.27Å; T107-R109 PolarHBondContact O-N 3.32Å; R109-V111 VanDerWaalsContact C-N 3.3Å; R109-V111 PolarHBondContact O-N 2.79Å
110	R	71.8	Confident	72	Confident	226 Å²	226	130.6 Å²	130.6	85%	0.853	65%	0.651	S	S	*	*			trans	-66	94.9	167	-172.6	-179.5	-70.3	177.4	-1.3	107.5	R112	R110-R112 PolarHBondContact O-N 3.05Å; R110-R112 VanDerWaalsContact O-N 3.14Å
111	V	73.4	Confident	71.8	Confident	133 Å²	133	128.7 Å²	128.7	81%	0.806	65%	0.653	S	S	*	*			trans	-65.5	111.6	174.3	-177.3	0	0	0	0	106.8	R109	R109-V111 VanDerWaalsContact C-N 3.3Å; R109-V111 PolarHBondContact O-N 2.79Å
112	R	75.3	Confident	71.9	Confident	207 Å²	207	133.4 Å²	133.4	78%	0.781	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-82	152.1	167.6	-64.5	-175.8	179.2	-161.4	-1.8	107.7	R110 S114	R110-R112 PolarHBondContact O-N 3.05Å; R110-R112 VanDerWaalsContact O-N 3.14Å; R112-S114 PolarHBondContact O-N 3.15Å
113	M	75	Confident	72.5	Confident	141 Å²	141	127.1 Å²	127.1	70%	0.695	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-49.5	130.8	173.5	-66.6	-99.8	69.2	0	0	109.4	A117	M113-A117 HydrophobicContact CE-CB 4.06Å
114	S	78.9	Confident	72.7	Confident	67 Å²	67	120.5 Å²	120.5	47%	0.469	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-62	154.9	177.2	61.2	0	0	0	0	109.9	R112 D116 A117 M118	R112-S114 PolarHBondContact O-N 3.15Å; S114-D116 PolarHBondContact O-N 3.36Å; S114-A117 PolarHBondContact O-N 2.99Å; S114-A117 VanDerWaalsContact O-N 3.11Å; S114-A117 VanDerWaalsContact OG-CB 3.3Å; S114-A117 WeakPolarHBondContact OG-CB 3.46Å; S114-A117 PolarHBondContact OG-N 3.17Å; S114-A117 VanDerWaalsContact OG-N 3.1Å; S114-M118 PolarHBondContact O-N 3.03Å
115	A	72.8	Confident	72.6	Confident	70 Å²	70	117 Å²	117	58%	0.579	63%	0.634	S	S	*	*	H	α-helix	trans	-53.7	-40.5	174.5	0	0	0	0	0	110.7	M118 L119	A115-M118 PolarHBondContact O-N 3.05Å; A115-L119 VanDerWaalsContact O-CB 3.29Å; A115-L119 WeakPolarHBondContact O-CB 3.5Å; A115-L119 WeakPolarHBondContact O-CG 3.28Å; A115-L119 PolarHBondContact O-N 3.46Å
116	D	69.8	Low	72.5	Confident	73 Å²	73	116.8 Å²	116.8	39%	0.39	63%	0.633	S	S	.	*	H	α-helix	trans	-64.9	-41.7	177.2	-66.3	-3.3	0	0	0	113	S114 M118 L119 A120	S114-D116 PolarHBondContact O-N 3.36Å; D116-M118 VanDerWaalsContact C-N 3.34Å; D116-L119 PolarHBondContact O-N 3.22Å; D116-A120 VanDerWaalsContact O-CB 3.22Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 3.18Å
117	A	74.4	Confident	71.8	Confident	35 Å²	35	117 Å²	117	29%	0.289	62%	0.624	S	S	.	*	H	α-helix	trans	-66.9	-38.1	176.4	0	0	0	0	0	111.6	M113 S114 A121	M113-A117 HydrophobicContact CE-CB 4.06Å; S114-A117 PolarHBondContact O-N 2.99Å; S114-A117 VanDerWaalsContact O-N 3.11Å; S114-A117 VanDerWaalsContact OG-CB 3.3Å; S114-A117 WeakPolarHBondContact OG-CB 3.46Å; S114-A117 PolarHBondContact OG-N 3.17Å; S114-A117 VanDerWaalsContact OG-N 3.1Å; A117-A121 VanDerWaalsContact O-CB 3.31Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 3.19Å; A117-A121 VanDerWaalsContact O-N 3.09Å
118	M	77.1	Confident	71.1	Confident	106 Å²	106	121.2 Å²	121.2	52%	0.522	63%	0.633	S	S	.	*	H	α-helix	trans	-69.3	-43.1	176.4	-173.1	177.3	-73.8	0	0	111.6	S114 A115 D116 A121 L122	S114-M118 PolarHBondContact O-N 3.03Å; A115-M118 PolarHBondContact O-N 3.05Å; D116-M118 VanDerWaalsContact C-N 3.34Å; M118-A121 PolarHBondContact O-N 2.69Å; M118-L122 HydrophobicContact CG-CD1 3.86Å; M118-L122 HydrophobicContact CG-CG 4.48Å; M118-L122 WeakPolarHBondContact O-CB 3.3Å; M118-L122 VanDerWaalsContact O-CG 3.28Å; M118-L122 WeakPolarHBondContact O-CG 3.31Å; M118-L122 PolarHBondContact O-N 3.44Å
119	L	74.4	Confident	70.5	Confident	83 Å²	83	117.6 Å²	117.6	44%	0.435	62%	0.619	S	S	.	*	H	α-helix	trans	-67.2	-41.9	177.8	-73.8	169.8	0	0	0	111.7	A115 D116 A121 L122 L123	A115-L119 VanDerWaalsContact O-CB 3.29Å; A115-L119 WeakPolarHBondContact O-CB 3.5Å; A115-L119 WeakPolarHBondContact O-CG 3.28Å; A115-L119 PolarHBondContact O-N 3.46Å; D116-L119 PolarHBondContact O-N 3.22Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.14Å; L119-L122 PolarHBondContact O-N 3.37Å; L119-L123 HydrophobicContact CD2-CD1 3.87Å; L119-L123 WeakPolarHBondContact O-CB 3.22Å; L119-L123 PolarHBondContact O-N 2.96Å
120	A	72.6	Confident	69.7	Low	58 Å²	58	110.5 Å²	110.5	48%	0.479	60%	0.601	S	S	.	*	H	α-helix	trans	-62.5	-38.1	174.6	0	0	0	0	0	112.1	D116 G124	D116-A120 VanDerWaalsContact O-CB 3.22Å; D116-A120 WeakPolarHBondContact O-CB 3.4Å; D116-A120 PolarHBondContact O-N 3.18Å; A120-G124 VanDerWaalsContact O-CA 3.31Å; A120-G124 WeakPolarHBondContact O-CA 3.31Å; A120-G124 PolarHBondContact O-N 3.33Å; A120-G124 VanDerWaalsContact O-N 3.11Å
121	A	75.9	Confident	69.1	Low	86 Å²	86	106.1 Å²	106.1	71%	0.711	59%	0.594	S	S	*	*	H	α-helix	trans	-71.4	-36.6	177	0	0	0	0	0	113.2	A117 M118 L119	A117-A121 VanDerWaalsContact O-CB 3.31Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 3.19Å; A117-A121 VanDerWaalsContact O-N 3.09Å; M118-A121 PolarHBondContact O-N 2.69Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.14Å
122	L	77.2	Confident	68.3	Low	132 Å²	132	105 Å²	105	69%	0.691	58%	0.583	S	S	*	*	H	α-helix	trans	-84.7	-34.9	-177.7	-70	173.8	0	0	0	113.8	M118 L119	M118-L122 HydrophobicContact CG-CD1 3.86Å; M118-L122 HydrophobicContact CG-CG 4.48Å; M118-L122 WeakPolarHBondContact O-CB 3.3Å; M118-L122 VanDerWaalsContact O-CG 3.28Å; M118-L122 WeakPolarHBondContact O-CG 3.31Å; M118-L122 PolarHBondContact O-N 3.44Å; L119-L122 PolarHBondContact O-N 3.37Å
123	L	75.7	Confident	67.4	Low	87 Å²	87	102.7 Å²	102.7	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-113.2	-0.8	-170.9	-57.4	176	0	0	0	113.4	L119 H127	L119-L123 HydrophobicContact CD2-CD1 3.87Å; L119-L123 WeakPolarHBondContact O-CB 3.22Å; L119-L123 PolarHBondContact O-N 2.96Å; L123-H127 HydrophobicContact CB-CB 4.47Å; L123-H127 HydrophobicContact CD1-CB 4.3Å
124	G	68.8	Low	66.4	Low	39 Å²	39	106.4 Å²	106.4	40%	0.402	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	61.7	-156.6	-179.3	0	0	0	0	0	113.2	A120 K126	A120-G124 VanDerWaalsContact O-CA 3.31Å; A120-G124 WeakPolarHBondContact O-CA 3.31Å; A120-G124 PolarHBondContact O-N 3.33Å; A120-G124 VanDerWaalsContact O-N 3.11Å; G124-K126 PolarHBondContact O-N 2.95Å; G124-K126 VanDerWaalsContact O-N 3.14Å
125	S	64.3	Low	65.5	Low	118 Å²	118	106.2 Å²	106.2	83%	0.825	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-68.7	-9.3	-176.1	61.6	0	0	0	0	115	H127	S125-H127 PolarHBondContact O-N 2.94Å
126	K	61.2	Low	64.8	Low	184 Å²	184	109.6 Å²	109.6	80%	0.8	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-76.4	-22.4	-168	-142.9	176.2	-173.5	-176.8	0	113.9	G124	G124-K126 PolarHBondContact O-N 2.95Å; G124-K126 VanDerWaalsContact O-N 3.14Å
127	H	56.3	Low	64.3	Low	120 Å²	120	112.2 Å²	112.2	56%	0.556	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-127	52.1	179.7	-69.4	86.1	0	0	0	111.8	L123 S125 V129	L123-H127 HydrophobicContact CB-CB 4.47Å; L123-H127 HydrophobicContact CD1-CB 4.3Å; S125-H127 PolarHBondContact O-N 2.94Å; H127-V129 VanDerWaalsContact C-N 3.29Å; H127-V129 PolarHBondContact O-N 3.14Å
128	K	56.4	Low	63.6	Low	190 Å²	190	120.4 Å²	120.4	83%	0.826	65%	0.645	S	S	*	*			trans	-81.7	76.1	173.1	-161.5	-179.4	-175.7	-175.1	0	109.9	S130	K128-S130 PolarHBondContact O-N 3.29Å
129	V	57.9	Low	62.7	Low	106 Å²	106	124.1 Å²	124.1	64%	0.642	66%	0.661	S	S	*	*			trans	-83.6	99.4	168.9	-176.4	0	0	0	0	107.3	H127 L131	H127-V129 VanDerWaalsContact C-N 3.29Å; H127-V129 PolarHBondContact O-N 3.14Å; V129-L131 PolarHBondContact O-N 3.48Å; V129-L131 VanDerWaalsContact O-N 3.15Å
130	S	54.8	Low	61.4	Low	59 Å²	59	126.6 Å²	126.6	41%	0.413	68%	0.68	S	S	.	*			trans	-68.9	110	170.6	58.5	0	0	0	0	108.5	K128 D132	K128-S130 PolarHBondContact O-N 3.29Å; S130-D132 PolarHBondContact O-N 2.95Å
131	L	58.3	Low	60.2	Low	134 Å²	134	132 Å²	132	70%	0.702	69%	0.692	S	S	*	*			trans	-74.3	22.4	168.8	-75.3	162.6	0	0	0	112.2	V129 L133	V129-L131 PolarHBondContact O-N 3.48Å; V129-L131 VanDerWaalsContact O-N 3.15Å; L131-L133 PolarHBondContact O-N 2.93Å
132	D	57.6	Low	59	Low	109 Å²	109	136.7 Å²	136.7	58%	0.583	70%	0.697	S	S	*	*			trans	-72.4	110.1	169.8	-82.7	-29.4	0	0	0	108.6	S130 R134 A135	S130-D132 PolarHBondContact O-N 2.95Å; D132-R134 PolarHBondContact O-N 3.36Å; D132-A135 HydrophobicContact CB-CB 3.97Å; D132-A135 PolarHBondContact O-N 3.09Å
133	L	55.6	Low	57.2	Low	159 Å²	159	137.8 Å²	137.8	83%	0.832	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.5	-29.9	169.6	-102.4	135.2	0	0	0	112	L131	L131-L133 PolarHBondContact O-N 2.93Å
134	R	54.7	Low	55.3	Low	219 Å²	219	140.9 Å²	140.9	83%	0.826	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-30	179	-162.7	174.3	-171.8	139.7	1.5	113.8	D132 N136 L137	D132-R134 PolarHBondContact O-N 3.36Å; R134-N136 VanDerWaalsContact C-N 3.31Å; R134-L137 PolarHBondContact O-N 3.11Å
135	A	59.3	Low	53.8	Low	63 Å²	63	146.7 Å²	146.7	52%	0.521	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-22.7	179.2	0	0	0	0	0	112.5	D132	D132-A135 HydrophobicContact CB-CB 3.97Å; D132-A135 PolarHBondContact O-N 3.09Å
136	N	58.3	Low	52.6	Low	141 Å²	141	150.4 Å²	150.4	75%	0.754	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-6.7	175.9	-113.5	-61.7	0	0	0	113.9	R134	R134-N136 VanDerWaalsContact C-N 3.31Å
137	L	59.2	Low	51.5	Low	129 Å²	129	148.5 Å²	148.5	68%	0.675	73%	0.727	S	S	*	*	S	Bend	trans	-82.9	119.6	172.1	-66.4	171.4	0	0	0	108.5	R134 Q139	R134-L137 PolarHBondContact O-N 3.11Å; L137-Q139 PolarHBondContact O-N 2.85Å
138	K	60	Low	50.6	Low	207 Å²	207	151.7 Å²	151.7	90%	0.9	74%	0.742	S	S	*	*			trans	-55.3	111.4	178.9	-75.6	-177.2	177.6	178.2	0	110.3	V140	K138-V140 PolarHBondContact O-N 3.1Å
139	Q	58	Low	50	Low	183 Å²	183	151.8 Å²	151.8	86%	0.855	74%	0.742	S	S	*	*			trans	-64.5	113.4	164	-165	172.1	-13.3	0	0	107	L137 K141	L137-Q139 PolarHBondContact O-N 2.85Å; Q139-K141 PolarHBondContact O-N 3.11Å
140	V	48.3	Very low	49.2	Very low	136 Å²	136	156 Å²	156	82%	0.824	76%	0.755	S	S	*	*			trans	-58.3	109.7	174	174.1	0	0	0	0	107	K138 K142	K138-V140 PolarHBondContact O-N 3.1Å; V140-K142 PolarHBondContact O-N 3.35Å
141	K	47.1	Very low	48.9	Very low	171 Å²	171	160.7 Å²	160.7	74%	0.743	78%	0.782	S	S	*	*			trans	-59.5	102.9	177.5	-81.2	-178.5	171.7	-175.1	0	108.7	Q139 E143	Q139-K141 PolarHBondContact O-N 3.11Å; K141-E143 VanDerWaalsContact C-N 3.34Å; K141-E143 HydrophobicContact CB-CG 4.19Å; K141-E143 PolarHBondContact O-N 3.44Å
142	K	50.3	Low	48.2	Very low	184 Å²	184	157 Å²	157	80%	0.8	78%	0.775	S	S	*	*			trans	-83	91	155.1	-160.6	173.4	-173.4	176.9	0	105.6	V140 L144	V140-K142 PolarHBondContact O-N 3.35Å; K142-L144 PolarHBondContact O-N 2.88Å
143	E	38.7	Very low	48.1	Very low	155 Å²	155	157.6 Å²	157.6	72%	0.724	78%	0.779	S	S	*	*			trans	-64.5	98.2	171.9	-61.5	-172.8	167.1	0	0	107.7	K141 K145	K141-E143 VanDerWaalsContact C-N 3.34Å; K141-E143 HydrophobicContact CB-CG 4.19Å; K141-E143 PolarHBondContact O-N 3.44Å; E143-K145 VanDerWaalsContact C-N 3.3Å; E143-K145 PolarHBondContact O-N 3Å
144	L	36.3	Very low	48.3	Very low	153 Å²	153	162 Å²	162	80%	0.801	78%	0.784	S	S	*	*			trans	-80.1	89.6	164.1	-73.4	172.1	0	0	0	106.7	K142 E146	K142-L144 PolarHBondContact O-N 2.88Å; L144-E146 PolarHBondContact O-N 3.14Å
145	K	36.4	Very low	48.1	Very low	160 Å²	160	162.1 Å²	162.1	70%	0.696	79%	0.785	S	S	*	*			trans	-62.8	107.9	159.2	-159.3	-172	-171.2	-156.8	0	106.3	E143 E147	E143-K145 VanDerWaalsContact C-N 3.3Å; E143-K145 PolarHBondContact O-N 3Å; K145-E147 VanDerWaalsContact C-N 3.31Å; K145-E147 HydrophobicContact CD-CG 4.41Å; K145-E147 WeakPolarHBondContact CE-OE1 3.17Å; K145-E147 IonicContact NZ-OE1 2.69Å; K145-E147 PolarHBondContact NZ-OE1 3.14Å; K145-E147 PolarHBondContact O-N 3.31Å
146	E	40.7	Very low	48	Very low	197 Å²	197	167.4 Å²	167.4	92%	0.921	80%	0.796	S	S	*	*			trans	-69.9	90.9	169.6	-168	171.1	-164.2	0	0	107.3	L144	L144-E146 PolarHBondContact O-N 3.14Å
147	E	38	Very low	47.4	Very low	143 Å²	143	169.8 Å²	169.8	67%	0.668	80%	0.8	S	S	*	*			trans	-108.5	131.7	161.2	-85.3	-177.1	-177.2	0	0	108.5	K145	K145-E147 VanDerWaalsContact C-N 3.31Å; K145-E147 HydrophobicContact CD-CG 4.41Å; K145-E147 WeakPolarHBondContact CE-OE1 3.17Å; K145-E147 IonicContact NZ-OE1 2.69Å; K145-E147 PolarHBondContact NZ-OE1 3.14Å; K145-E147 PolarHBondContact O-N 3.31Å
148	E	36.9	Very low	47	Very low	187 Å²	187	171.2 Å²	171.2	87%	0.874	81%	0.807	S	S	*	*			trans	-54.2	135.3	-174.5	-70.3	175.7	116.2	0	0	113.6
149	K	43	Very low	46.7	Very low	192 Å²	192	169.3 Å²	169.3	84%	0.835	80%	0.801	S	S	*	*			trans	22	112.3	147.5	-67.7	176.1	178.5	172.4	0	117.5
150	Q	41.9	Very low	46.4	Very low	194 Å²	194	167.5 Å²	167.5	91%	0.907	80%	0.797	S	S	*	*				-160	96.1	127.5	-112.3	164.9	12.8	0	0	111.2	G152	Q150-G152 VanDerWaalsContact C-N 3.32Å; Q150-G152 PolarHBondContact O-N 2.96Å
151	T	48.9	Very low	46.6	Very low	159 Å²	159	170.9 Å²	170.9	98%	0.975	80%	0.801	S	S	*	*			trans	-57	96.7	152	6.3	0	0	0	0	108
152	G	42.5	Very low	46.9	Very low	55 Å²	55	167.3 Å²	167.3	57%	0.567	80%	0.803	S	S	*	*			trans	-121.3	114	177	0	0	0	0	0	110.5	Q150	Q150-G152 VanDerWaalsContact C-N 3.32Å; Q150-G152 PolarHBondContact O-N 2.96Å
153	D	56.3	Low	46.6	Very low	122 Å²	122	161.5 Å²	161.5	65%	0.652	80%	0.796	S	S	*	*			trans	-46.9	127.9	-178.8	-171.8	-0.1	0	0	0	113.9	R155	D153-R155 PolarHBondContact O-N 2.8Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.86Å
154	W	59.2	Low	46.9	Very low	252 Å²	252	162.9 Å²	162.9	96%	0.955	80%	0.804	S	S	*	*	G	3₁₀ helix	trans	-70.7	-4.5	-176.8	-83	51.5	0	0	0	113.8	K156	W154-K156 PolarHBondContact O-N 3.25Å
155	R	51	Low	47.1	Very low	222 Å²	222	163.6 Å²	163.6	84%	0.838	81%	0.809	S	S	*	*	G	3₁₀ helix	trans	-76	-9	-179.5	-85.5	-173.2	169.4	109.9	-2.7	116.1	D153	D153-R155 PolarHBondContact O-N 2.8Å; D153-R155 VanDerWaalsContact O-N 3.14Å; D153-R155 PolarHBondContact OD1-N 2.86Å
156	K	56.4	Low	47.3	Very low	173 Å²	173	159.3 Å²	159.3	75%	0.752	81%	0.81	S	S	*	*	G	3₁₀ helix	trans	-92.4	-6.4	-171.3	-128.7	175.7	-176.5	177.8	0	116.7	W154	W154-K156 PolarHBondContact O-N 3.25Å
157	K	46.8	Very low	47.6	Very low	191 Å²	191	160 Å²	160	83%	0.83	80%	0.804	S	S	*	*	S	Bend	trans	-89.7	-4.4	-173.7	-91.9	-167.9	-179.8	-174.2	0	116.4
158	I	51.2	Low	48.5	Very low	160 Å²	160	163 Å²	163	82%	0.821	82%	0.815	S	S	*	*	S	Bend	trans	-92.1	-18.1	-177.4	-69.5	-177.4	0	0	0	113
159	E	52.7	Low	48.9	Very low	166 Å²	166	161.7 Å²	161.7	78%	0.776	81%	0.807	S	S	*	*	S	Bend	trans	-87.5	-25.2	-178.1	-72.2	-174.4	151.3	0	0	114.8	K161	E159-K161 PolarHBondContact O-N 2.87Å
160	D	51.3	Low	48.9	Very low	146 Å²	146	159.3 Å²	159.3	78%	0.781	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	8.3	-170.4	-69.1	-24.6	0	0	0	115.6
161	K	53.1	Low	48.7	Very low	206 Å²	206	157.9 Å²	157.9	90%	0.896	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	18.8	176.4	-97.7	-172.2	178.9	-176.5	0	114.8	E159	E159-K161 PolarHBondContact O-N 2.87Å
162	A	52.3	Low	48.3	Very low	96 Å²	96	158.2 Å²	158.2	79%	0.793	78%	0.782	S	S	*	*			trans	-108.5	87.1	168.8	0	0	0	0	0	110.3
163	G	46	Very low	48	Very low	63 Å²	63	160.3 Å²	160.3	65%	0.649	79%	0.793	S	S	*	*			trans	152	107	160.1	0	0	0	0	0	117.5
164	M	43.7	Very low	47.1	Very low	183 Å²	183	163.8 Å²	163.8	90%	0.901	81%	0.806	S	S	*	*			trans	74	104.8	140.1	-57.4	-178.3	112	0	0	117
165	D	40.4	Very low	46.1	Very low	168 Å²	168	160.2 Å²	160.2	90%	0.898	83%	0.83	S	S	*	*				64.8	113.1	66.3	-161.4	24	0	0	0	112.4
166	G	41.5	Very low	45.8	Very low	70 Å²	70	157.2 Å²	157.2	72%	0.722	83%	0.83	S	S	*	*			trans	150.1	70.9	173.1	0	0	0	0	0	117.8
167	R	45.6	Very low	45.3	Very low	212 Å²	212	156.3 Å²	156.3	80%	0.8	83%	0.834	S	S	*	*			trans	55	100.8	141.3	-158.8	175	-167.7	177.1	5.5	120.1
168	K	56.9	Low	45.2	Very low	206 Å²	206	154.4 Å²	154.4	90%	0.896	83%	0.834	S	S	*	*			trans	-64.3	138.8	152.8	-71.9	176.8	173.9	176.2	0	111.6
169	K	46.9	Very low	44.8	Very low	160 Å²	160	154.1 Å²	154.1	70%	0.696	84%	0.835	S	S	*	*			trans	-146.7	109.4	154.5	-95.8	-160.6	164.4	-179	0	109.5
170	M	41.6	Very low	44.4	Very low	142 Å²	142	153.3 Å²	153.3	70%	0.7	84%	0.838	S	S	*	*				85.2	109.2	108	-53.2	-55.6	-85.9	0	0	112.6
171	F	38.3	Very low	43.9	Very low	164 Å²	164	153.8 Å²	153.8	72%	0.719	84%	0.842	S	S	*	*				65.4	137.3	92.7	-77	-72.7	0	0	0	112.3
172	E	40.3	Very low	43.2	Very low	166 Å²	166	150.1 Å²	150.1	78%	0.776	84%	0.838	S	S	*	*			cis	-171.7	171.3	-3.2	-147.4	170	-138	0	0	107.1
173	A	37.4	Very low	42.5	Very low	98 Å²	98	154.2 Å²	154.2	81%	0.81	84%	0.842	S	S	*	*			trans	96.4	124.8	151.1	0	0	0	0	0	121.7
174	E	36.9	Very low	42.2	Very low	196 Å²	196	161.8 Å²	161.8	92%	0.916	86%	0.858	S	S	*	*			trans	-76.7	140.7	166.3	-114.2	170.2	144.6	0	0	111.6
175	A	37.5	Very low	42.1	Very low	177 Å²	177	159.9 Å²	159.9	100%	1.463	85%	0.854	S	S	*	*			trans	-166	0	138.5	0	0	0	0	0	109.3

Retrieved 175 of 175 residues in 163.6 ms (Link to these results)

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