G4VHK0_SCHMA Loading...

Putative nanos RNA binding domain

AlphaFold DB , UniProt , Accession G4VHK0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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	38.4	Very low	45.3	Very low	239 Å²	239	113.6 Å²	113.6	100%	1.177	61%	0.612	S	S	*	*				0	103.6	0	-74	158	81.6	0	0	106.4
2	S	43.1	Very low	45.2	Very low	114 Å²	114	109.9 Å²	109.9	80%	0.797	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-68.2	134.5	179	-51.1	0	0	0	0	109.2	K4	S2-K4 PolarHBondContact O-N 3.22Å
3	P	42.6	Very low	45.3	Very low	90 Å²	90	106.8 Å²	106.8	58%	0.584	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-59.2	137.4	173.2	-12	25.2	0	0	0	108.5
4	K	41.7	Very low	45.2	Very low	161 Å²	161	105.4 Å²	105.4	70%	0.7	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-71.2	145.6	178.9	-71	177	177.6	176.5	0	107.5	S2 N6 D7	S2-K4 PolarHBondContact O-N 3.22Å; K4-N6 PolarHBondContact O-N 3.45Å; K4-D7 PolarHBondContact N-OD2 3.31Å; K4-D7 WeakPolarHBondContact O-CB 3.34Å; K4-D7 PolarHBondContact O-N 3.18Å
5	T	50.5	Low	45	Very low	113 Å²	113	98.9 Å²	98.9	69%	0.693	53%	0.534	S	S	*	.	H	α-helix	trans	-47.3	-28.7	177.3	24.9	0	0	0	0	114	D7 I8 E9	T5-D7 VanDerWaalsContact C-N 3.32Å; T5-D7 PolarHBondContact O-N 3.44Å; T5-I8 PolarHBondContact O-N 2.94Å; T5-E9 PolarHBondContact O-N 3.27Å
6	N	48.7	Very low	45.1	Very low	107 Å²	107	101.7 Å²	101.7	57%	0.572	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-28.8	175.2	-70.7	9.4	0	0	0	114.2	K4 I8 I10	K4-N6 PolarHBondContact O-N 3.45Å; N6-I8 VanDerWaalsContact C-N 3.26Å; N6-I8 PolarHBondContact O-N 3.41Å; N6-I10 WeakPolarHBondContact O-CD1 3.44Å; N6-I10 VanDerWaalsContact O-CG1 3.23Å; N6-I10 WeakPolarHBondContact O-CG1 3.27Å; N6-I10 PolarHBondContact O-N 2.97Å
7	D	43.5	Very low	45.1	Very low	85 Å²	85	103 Å²	103	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-71.5	-27.4	179.8	-59.9	-40.3	0	0	0	111	K4 T5 V11	K4-D7 PolarHBondContact N-OD2 3.31Å; K4-D7 WeakPolarHBondContact O-CB 3.34Å; K4-D7 PolarHBondContact O-N 3.18Å; T5-D7 VanDerWaalsContact C-N 3.32Å; T5-D7 PolarHBondContact O-N 3.44Å; D7-V11 VanDerWaalsContact O-CG2 3.27Å; D7-V11 WeakPolarHBondContact O-CG2 3.29Å; D7-V11 PolarHBondContact O-N 3.24Å
8	I	47.1	Very low	45.1	Very low	50 Å²	50	103 Å²	103	26%	0.256	54%	0.542	S	S	.	.	H	α-helix	trans	-78.3	-43.6	-179.7	-60.1	174	0	0	0	110.6	T5 N6 I10 V11 Q12	T5-I8 PolarHBondContact O-N 2.94Å; N6-I8 VanDerWaalsContact C-N 3.26Å; N6-I8 PolarHBondContact O-N 3.41Å; I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 2.99Å; I8-V11 PolarHBondContact O-N 3.35Å; I8-Q12 HydrophobicContact CG2-CG 4.42Å; I8-Q12 VanDerWaalsContact O-CG 3.32Å; I8-Q12 WeakPolarHBondContact O-CG 3.23Å; I8-Q12 PolarHBondContact O-N 3.31Å
9	E	47.2	Very low	45.2	Very low	129 Å²	129	101.1 Å²	101.1	60%	0.603	53%	0.531	S	S	*	.	H	α-helix	trans	-61.9	-37.7	176.2	-80.1	-174.6	167	0	0	112.3	T5 Q12 T13	T5-E9 PolarHBondContact O-N 3.27Å; E9-Q12 PolarHBondContact O-N 3.41Å; E9-T13 WeakPolarHBondContact O-CB 3.38Å; E9-T13 PolarHBondContact O-N 2.84Å; E9-T13 PolarHBondContact O-OG1 2.99Å
10	I	48.7	Very low	45	Very low	93 Å²	93	100.4 Å²	100.4	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-39.4	177.5	-67.4	166.8	0	0	0	111.1	N6 I8 T13 N14	N6-I10 WeakPolarHBondContact O-CD1 3.44Å; N6-I10 VanDerWaalsContact O-CG1 3.23Å; N6-I10 WeakPolarHBondContact O-CG1 3.27Å; N6-I10 PolarHBondContact O-N 2.97Å; I8-I10 VanDerWaalsContact C-N 3.3Å; I8-I10 PolarHBondContact O-N 2.99Å; I10-T13 WeakPolarHBondContact CA-OG1 3.35Å; I10-T13 PolarHBondContact O-OG1 3.29Å; I10-N14 WeakPolarHBondContact O-CB 3.34Å; I10-N14 PolarHBondContact O-N 3.07Å; I10-N14 PolarHBondContact O-ND2 2.97Å
11	V	47.3	Very low	44.7	Very low	69 Å²	69	106.6 Å²	106.6	42%	0.418	55%	0.553	S	S	.	*	H	α-helix	trans	-70.2	-37.6	177.1	174.6	0	0	0	0	111.4	D7 I8 A15	D7-V11 VanDerWaalsContact O-CG2 3.27Å; D7-V11 WeakPolarHBondContact O-CG2 3.29Å; D7-V11 PolarHBondContact O-N 3.24Å; I8-V11 PolarHBondContact O-N 3.35Å; V11-A15 PolarHBondContact O-N 3.22Å
12	Q	43.3	Very low	44.6	Very low	69 Å²	69	98 Å²	98	32%	0.322	53%	0.525	S	S	.	.	H	α-helix	trans	-72.5	-34.4	177.9	-69.2	179.7	-14.8	0	0	113.2	I8 E9 R16	I8-Q12 HydrophobicContact CG2-CG 4.42Å; I8-Q12 VanDerWaalsContact O-CG 3.32Å; I8-Q12 WeakPolarHBondContact O-CG 3.23Å; I8-Q12 PolarHBondContact O-N 3.31Å; E9-Q12 PolarHBondContact O-N 3.41Å; Q12-R16 PolarHBondContact O-N 3.29Å
13	T	46.4	Very low	44.2	Very low	69 Å²	69	99.9 Å²	99.9	42%	0.423	53%	0.526	S	S	.	.	H	α-helix	trans	-71	-42.3	173.5	32.9	0	0	0	0	111.8	E9 I10 A15 R16 D17	E9-T13 WeakPolarHBondContact O-CB 3.38Å; E9-T13 PolarHBondContact O-N 2.84Å; E9-T13 PolarHBondContact O-OG1 2.99Å; I10-T13 WeakPolarHBondContact CA-OG1 3.35Å; I10-T13 PolarHBondContact O-OG1 3.29Å; T13-A15 PolarHBondContact O-N 3.48Å; T13-R16 WeakPolarHBondContact O-CB 3.49Å; T13-R16 PolarHBondContact O-N 2.74Å; T13-R16 VanDerWaalsContact O-N 3.08Å; T13-D17 PolarHBondContact O-N 3.36Å
14	N	43.7	Very low	44	Very low	88 Å²	88	101.4 Å²	101.4	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-26.8	175.5	-72.1	-30	0	0	0	112.9	I10 L18	I10-N14 WeakPolarHBondContact O-CB 3.34Å; I10-N14 PolarHBondContact O-N 3.07Å; I10-N14 PolarHBondContact O-ND2 2.97Å; N14-L18 PolarHBondContact O-N 3.38Å
15	A	43.2	Very low	43.5	Very low	7 Å²	7	101.5 Å²	101.5	6%	0.058	54%	0.538	C	S	.	.	H	α-helix	trans	-67.6	-40.4	173.7	0	0	0	0	0	111.9	V11 T13 D17 L18 I19 I49	V11-A15 PolarHBondContact O-N 3.22Å; T13-A15 PolarHBondContact O-N 3.48Å; A15-D17 VanDerWaalsContact C-N 3.29Å; A15-D17 PolarHBondContact O-N 3.28Å; A15-L18 PolarHBondContact O-N 2.88Å; A15-I19 HydrophobicContact CB-CD1 4.42Å; A15-I19 WeakPolarHBondContact O-CD1 3.46Å; A15-I19 WeakPolarHBondContact O-CG1 3.18Å; A15-I19 PolarHBondContact O-N 3.24Å; A15-I49 HydrophobicContact CB-CD1 3.76Å
16	R	46.4	Very low	42.9	Very low	144 Å²	144	101.2 Å²	101.2	54%	0.543	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-37.2	178.6	-71.5	-178.6	172.5	136.7	1.6	112.4	Q12 T13 L18 I19	Q12-R16 PolarHBondContact O-N 3.29Å; T13-R16 WeakPolarHBondContact O-CB 3.49Å; T13-R16 PolarHBondContact O-N 2.74Å; T13-R16 VanDerWaalsContact O-N 3.08Å; R16-L18 VanDerWaalsContact C-N 3.33Å; R16-L18 PolarHBondContact O-N 3.21Å; R16-I19 PolarHBondContact O-N 3.01Å
17	D	45.3	Very low	42.5	Very low	124 Å²	124	102 Å²	102	66%	0.663	54%	0.535	S	S	*	.	H	α-helix	trans	-72.3	-26.1	179.8	-68.9	-25.2	0	0	0	113	T13 A15	T13-D17 PolarHBondContact O-N 3.36Å; A15-D17 VanDerWaalsContact C-N 3.29Å; A15-D17 PolarHBondContact O-N 3.28Å
18	L	44.1	Very low	42.5	Very low	103 Å²	103	100.6 Å²	100.6	54%	0.539	54%	0.541	S	S	.	.	H	α-helix	trans	-79.9	-17.3	173.6	-73.4	163.7	0	0	0	113.2	N14 A15 R16	N14-L18 PolarHBondContact O-N 3.38Å; A15-L18 PolarHBondContact O-N 2.88Å; R16-L18 VanDerWaalsContact C-N 3.33Å; R16-L18 PolarHBondContact O-N 3.21Å
19	I	46.8	Very low	42.8	Very low	67 Å²	67	102.7 Å²	102.7	34%	0.344	56%	0.56	S	S	.	*	H	α-helix	trans	-97.4	-7.1	-171.9	-66.6	164.1	0	0	0	112.2	A15 R16 W46 D67	A15-I19 HydrophobicContact CB-CD1 4.42Å; A15-I19 WeakPolarHBondContact O-CD1 3.46Å; A15-I19 WeakPolarHBondContact O-CG1 3.18Å; A15-I19 PolarHBondContact O-N 3.24Å; R16-I19 PolarHBondContact O-N 3.01Å; I19-W46 HydrophobicContact CD1-CH2 4.31Å; I19-W46 HydrophobicContact CD1-CZ2 3.84Å; I19-D67 HydrophobicContact CD1-CB 4.19Å
20	S	42.5	Very low	43	Very low	86 Å²	86	106 Å²	106	60%	0.601	57%	0.567	S	S	*	*			trans	-102.8	50.1	-169.5	-162.9	0	0	0	0	115.3
21	Y	38.2	Very low	43.5	Very low	232 Å²	232	105.2 Å²	105.2	91%	0.91	56%	0.558	S	S	*	*			trans	-156.8	137.8	167.9	-87	-82.9	0	0	0	108.8
22	G	37.4	Very low	44.4	Very low	58 Å²	58	107.5 Å²	107.5	60%	0.598	56%	0.564	S	S	*	*			cis	160.8	99	6.4	0	0	0	0	0	106.1	N24	G22-N24 PolarHBondContact O-N 3.44Å
23	N	34.5	Very low	45.9	Very low	153 Å²	153	108.4 Å²	108.4	82%	0.818	57%	0.574	S	S	*	*			trans	-67.8	89.8	177.3	-101.7	-42	0	0	0	109.9
24	N	37.1	Very low	47.5	Very low	123 Å²	123	109.1 Å²	109.1	66%	0.658	57%	0.573	S	S	*	*			trans	-133.8	94.3	174.1	-77.7	-42.9	0	0	0	111.5	G22 I26 R31	G22-N24 PolarHBondContact O-N 3.44Å; N24-I26 PolarHBondContact O-N 2.9Å; N24-R31 PolarHBondContact O-NH1 3.42Å; N24-R31 VanDerWaalsContact O-NH1 3.09Å
25	N	32.6	Very low	49.1	Very low	163 Å²	163	109.5 Å²	109.5	87%	0.872	57%	0.572	S	S	*	*			trans	-51.3	115.6	161.6	-99	-34.3	0	0	0	110
26	I	36.7	Very low	50.9	Low	106 Å²	106	116 Å²	116	54%	0.544	60%	0.596	S	S	.	*			trans	-174.3	140.7	158.1	-87.2	137.7	0	0	0	107.4	N24 R31	N24-I26 PolarHBondContact O-N 2.9Å; I26-R31 VanDerWaalsContact CB-NH1 3.31Å; I26-R31 WeakPolarHBondContact O-CD 3.39Å; I26-R31 PolarHBondContact O-NE 2.88Å; I26-R31 PolarHBondContact O-NH1 3.38Å
27	N	39.9	Very low	52.9	Low	124 Å²	124	112.7 Å²	112.7	66%	0.663	59%	0.589	S	S	*	*			trans	61.6	82.5	166.2	-57.6	-14.3	0	0	0	120.4	S29 R31	N27-S29 PolarHBondContact O-N 3.49Å; N27-R31 WeakPolarHBondContact O-CB 3.47Å; N27-R31 VanDerWaalsContact O-CG 3.25Å; N27-R31 WeakPolarHBondContact O-CG 3.38Å
28	G	43.8	Very low	54.9	Low	56 Å²	56	110.4 Å²	110.4	58%	0.577	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	32.2	-159.8	0	0	0	0	0	121.8	Q32	G28-Q32 VanDerWaalsContact O-CD 3.3Å; G28-Q32 PolarHBondContact O-NE2 3.22Å
29	S	52.9	Low	57	Low	93 Å²	93	108.3 Å²	108.3	65%	0.65	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	-54.8	168.4	-175.8	0	0	0	0	112.9	N27 R31 Q32	N27-S29 PolarHBondContact O-N 3.49Å; S29-R31 VanDerWaalsContact C-N 3.27Å; S29-R31 PolarHBondContact O-N 2.99Å; S29-Q32 PolarHBondContact O-N 2.97Å
30	R	51.6	Low	59.1	Low	199 Å²	199	107.7 Å²	107.7	75%	0.751	56%	0.558	S	S	*	*	H	α-helix	trans	-62.6	-35.3	172.7	-174	173.7	164.5	156.5	-2.7	112.5	E34	R30-E34 IonicContact NE-OE1 3.27Å; R30-E34 PolarHBondContact NE-OE1 3.12Å; R30-E34 IonicContact NH2-OE1 3.97Å; R30-E34 PolarHBondContact O-N 3.28Å
31	R	59.9	Low	61.6	Low	77 Å²	77	110.3 Å²	110.3	29%	0.291	56%	0.555	S	S	.	*	H	α-helix	trans	-69.9	-30.1	177.3	-67.4	-153.6	-168.9	173.9	-9.4	114	N24 I26 N27 S29 T33 E34 E35	N24-R31 PolarHBondContact O-NH1 3.42Å; N24-R31 VanDerWaalsContact O-NH1 3.09Å; I26-R31 VanDerWaalsContact CB-NH1 3.31Å; I26-R31 WeakPolarHBondContact O-CD 3.39Å; I26-R31 PolarHBondContact O-NE 2.88Å; I26-R31 PolarHBondContact O-NH1 3.38Å; N27-R31 WeakPolarHBondContact O-CB 3.47Å; N27-R31 VanDerWaalsContact O-CG 3.25Å; N27-R31 WeakPolarHBondContact O-CG 3.38Å; S29-R31 VanDerWaalsContact C-N 3.27Å; S29-R31 PolarHBondContact O-N 2.99Å; R31-T33 VanDerWaalsContact C-N 3.33Å; R31-T33 PolarHBondContact O-N 3.37Å; R31-E34 PolarHBondContact O-N 3.38Å; R31-E35 VanDerWaalsContact O-CB 3.31Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 WeakPolarHBondContact O-CG 3.42Å; R31-E35 PolarHBondContact O-N 3.36Å
32	Q	65.7	Low	64.1	Low	116 Å²	116	100.6 Å²	100.6	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-66.2	-38.8	178.2	-71.7	-177.7	-5.9	0	0	111.5	G28 S29 Y36	G28-Q32 VanDerWaalsContact O-CD 3.3Å; G28-Q32 PolarHBondContact O-NE2 3.22Å; S29-Q32 PolarHBondContact O-N 2.97Å; Q32-Y36 WeakPolarHBondContact O-CB 3.5Å; Q32-Y36 PolarHBondContact O-N 3.03Å
33	T	75.5	Confident	66.8	Low	88 Å²	88	101.7 Å²	101.7	54%	0.54	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-44	175	-50.7	0	0	0	0	111.5	R31 Y36 L37	R31-T33 VanDerWaalsContact C-N 3.33Å; R31-T33 PolarHBondContact O-N 3.37Å; T33-Y36 PolarHBondContact O-N 2.88Å; T33-L37 HydrophobicContact CG2-CD1 4.26Å; T33-L37 VanDerWaalsContact O-CG 3.29Å; T33-L37 WeakPolarHBondContact O-CG 3.35Å; T33-L37 PolarHBondContact O-N 2.89Å
34	E	79.2	Confident	69.7	Low	84 Å²	84	98.2 Å²	98.2	39%	0.393	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-47.8	176.9	-70.9	170.2	-177.1	0	0	110.9	R30 R31 Y36 L37 D38	R30-E34 IonicContact NE-OE1 3.27Å; R30-E34 PolarHBondContact NE-OE1 3.12Å; R30-E34 IonicContact NH2-OE1 3.97Å; R30-E34 PolarHBondContact O-N 3.28Å; R31-E34 PolarHBondContact O-N 3.38Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.41Å; E34-L37 PolarHBondContact O-N 3Å; E34-D38 VanDerWaalsContact O-CG 3.24Å; E34-D38 PolarHBondContact O-N 3.42Å
35	E	78	Confident	72.4	Confident	96 Å²	96	93.2 Å²	93.2	45%	0.449	47%	0.47	S	S	.	.	H	α-helix	trans	-57.3	-43.8	175.2	-75.2	170.3	-166.1	0	0	112.3	R31 D38 Y39	R31-E35 VanDerWaalsContact O-CB 3.31Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 WeakPolarHBondContact O-CG 3.42Å; R31-E35 PolarHBondContact O-N 3.36Å; E35-D38 PolarHBondContact O-N 3.17Å; E35-Y39 WeakPolarHBondContact O-CD2 3.2Å; E35-Y39 PolarHBondContact O-N 3.24Å
36	Y	81.8	Confident	75.4	Confident	143 Å²	143	86.1 Å²	86.1	56%	0.561	43%	0.431	S	S	*	.	H	α-helix	trans	-65.7	-42.4	178.4	-176.9	-104.1	0	0	0	112.6	Q32 T33 E34 D38 Y39 I40	Q32-Y36 WeakPolarHBondContact O-CB 3.5Å; Q32-Y36 PolarHBondContact O-N 3.03Å; T33-Y36 PolarHBondContact O-N 2.88Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.41Å; Y36-D38 VanDerWaalsContact C-N 3.27Å; Y36-D38 PolarHBondContact O-N 3.32Å; Y36-Y39 PolarHBondContact O-N 2.88Å; Y36-I40 HydrophobicContact CD1-CD1 3.77Å; Y36-I40 HydrophobicContact CE1-CD1 3.33Å; Y36-I40 HydrophobicContact CE1-CG1 4.22Å; Y36-I40 WeakPolarHBondContact O-CG1 3.37Å; Y36-I40 PolarHBondContact O-N 3.38Å
37	L	88	Confident	78.2	Confident	76 Å²	76	88.5 Å²	88.5	40%	0.398	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-36.2	174.9	-70.4	173.9	0	0	0	111.4	T33 E34 I40 R41	T33-L37 HydrophobicContact CG2-CD1 4.26Å; T33-L37 VanDerWaalsContact O-CG 3.29Å; T33-L37 WeakPolarHBondContact O-CG 3.35Å; T33-L37 PolarHBondContact O-N 2.89Å; E34-L37 PolarHBondContact O-N 3Å; L37-I40 PolarHBondContact O-N 3.28Å; L37-R41 WeakPolarHBondContact O-CG 3.11Å; L37-R41 PolarHBondContact O-N 3.23Å
38	D	87.2	Confident	80.8	Confident	75 Å²	75	85.9 Å²	85.9	40%	0.401	42%	0.419	S	S	.	.	H	α-helix	trans	-67.6	-40.3	175.7	-68.6	-20.7	0	0	0	111.8	E34 E35 Y36 I40 R41 C42	E34-D38 VanDerWaalsContact O-CG 3.24Å; E34-D38 PolarHBondContact O-N 3.42Å; E35-D38 PolarHBondContact O-N 3.17Å; Y36-D38 VanDerWaalsContact C-N 3.27Å; Y36-D38 PolarHBondContact O-N 3.32Å; D38-I40 VanDerWaalsContact C-N 3.3Å; D38-I40 PolarHBondContact O-N 2.96Å; D38-R41 PolarHBondContact O-N 2.63Å; D38-R41 IonicContact OD1-CZ 3.9Å; D38-R41 IonicContact OD1-NH1 2.74Å; D38-R41 PolarHBondContact OD1-NH1 3.21Å; D38-C42 WeakPolarHBondContact O-CB 3.48Å; D38-C42 PolarHBondContact O-N 3.46Å; D38-C42 PolarHBondContact O-SG 3.06Å; D38-C42 VanDerWaalsContact O-SG 3.36Å
39	Y	88.6	Confident	83.2	Confident	59 Å²	59	84.3 Å²	84.3	23%	0.231	40%	0.397	C	S	.	.	H	α-helix	trans	-57.7	-43.3	170.4	-78.6	-61.9	0	0	0	112	E35 Y36 C42 M43 F71 M75 S78	E35-Y39 WeakPolarHBondContact O-CD2 3.2Å; E35-Y39 PolarHBondContact O-N 3.24Å; Y36-Y39 PolarHBondContact O-N 2.88Å; Y39-C42 PolarHBondContact O-N 3.24Å; Y39-M43 VanDerWaalsContact O-CG 3.32Å; Y39-M43 WeakPolarHBondContact O-CG 3.32Å; Y39-M43 PolarHBondContact O-N 2.9Å; Y39-F71 HydrophobicContact CD1-CE2 4.14Å; Y39-M75 HydrophobicContact CD1-CB 4.45Å; Y39-M75 HydrophobicContact CD1-CG 4.47Å; Y39-M75 HydrophobicContact CE1-CB 4.37Å; Y39-S78 WeakPolarHBondContact OH-CB 3.31Å; Y39-S78 PolarHBondContact OH-OG 3.24Å
40	I	91	Very high	85.1	Confident	54 Å²	54	83.6 Å²	83.6	28%	0.277	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-46	176.5	-68.6	167.9	0	0	0	111.2	Y36 L37 D38 C42 M43 I44	Y36-I40 HydrophobicContact CD1-CD1 3.77Å; Y36-I40 HydrophobicContact CE1-CD1 3.33Å; Y36-I40 HydrophobicContact CE1-CG1 4.22Å; Y36-I40 WeakPolarHBondContact O-CG1 3.37Å; Y36-I40 PolarHBondContact O-N 3.38Å; L37-I40 PolarHBondContact O-N 3.28Å; D38-I40 VanDerWaalsContact C-N 3.3Å; D38-I40 PolarHBondContact O-N 2.96Å; I40-C42 PolarHBondContact O-N 3.49Å; I40-M43 HydrophobicContact CB-CE 4.34Å; I40-M43 HydrophobicContact CG1-CE 3.88Å; I40-M43 PolarHBondContact O-N 3.4Å; I40-I44 HydrophobicContact CG2-CD1 3.93Å; I40-I44 WeakPolarHBondContact O-CG1 3.41Å; I40-I44 PolarHBondContact O-N 3.14Å
41	R	93.7	Very high	87.1	Confident	141 Å²	141	81 Å²	81	53%	0.532	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-46.3	177.3	-71.7	172.7	-178.4	129.1	0.6	111.5	L37 D38 M43 I44 G45	L37-R41 WeakPolarHBondContact O-CG 3.11Å; L37-R41 PolarHBondContact O-N 3.23Å; D38-R41 PolarHBondContact O-N 2.63Å; D38-R41 IonicContact OD1-CZ 3.9Å; D38-R41 IonicContact OD1-NH1 2.74Å; D38-R41 PolarHBondContact OD1-NH1 3.21Å; R41-M43 PolarHBondContact O-N 3.48Å; R41-I44 PolarHBondContact O-N 3.08Å; R41-G45 PolarHBondContact O-N 3.37Å
42	C	91.7	Very high	88.7	Confident	29 Å²	29	80 Å²	80	20%	0.196	38%	0.379	C	S	.	.	H	α-helix	trans	-63	-41.1	177.3	-70.8	0	0	0	0	111.9	D38 Y39 I40 I44 G45 W46 F71	D38-C42 WeakPolarHBondContact O-CB 3.48Å; D38-C42 PolarHBondContact O-N 3.46Å; D38-C42 PolarHBondContact O-SG 3.06Å; D38-C42 VanDerWaalsContact O-SG 3.36Å; Y39-C42 PolarHBondContact O-N 3.24Å; I40-C42 PolarHBondContact O-N 3.49Å; C42-I44 VanDerWaalsContact C-N 3.33Å; C42-I44 PolarHBondContact O-N 2.88Å; C42-G45 PolarHBondContact O-N 2.99Å; C42-W46 PolarHBondContact O-N 3.18Å; C42-F71 HydrophobicContact CB-CD2 3.96Å; C42-F71 HydrophobicContact CB-CE2 3.39Å; C42-F71 HydrophobicContact CB-CZ 4.06Å
43	M	93.8	Very high	90	Very high	81 Å²	81	75.4 Å²	75.4	40%	0.399	36%	0.36	S	S	.	.	H	α-helix	trans	-59.3	-43.6	174.2	-74.9	-170.8	-68.8	0	0	111.8	Y39 I40 R41 R47 F71 M75	Y39-M43 VanDerWaalsContact O-CG 3.32Å; Y39-M43 WeakPolarHBondContact O-CG 3.32Å; Y39-M43 PolarHBondContact O-N 2.9Å; I40-M43 HydrophobicContact CB-CE 4.34Å; I40-M43 HydrophobicContact CG1-CE 3.88Å; I40-M43 PolarHBondContact O-N 3.4Å; R41-M43 PolarHBondContact O-N 3.48Å; M43-R47 WeakPolarHBondContact O-CB 3.32Å; M43-R47 PolarHBondContact O-N 3.43Å; M43-F71 HydrophobicContact CG-CE1 4.24Å; M43-F71 HydrophobicContact CG-CZ 3.66Å; M43-M75 HydrophobicContact CG-SD 4.3Å; M43-M75 HydrophobicContact SD-SD 3.99Å
44	I	95.5	Very high	90.9	Very high	79 Å²	79	77.6 Å²	77.6	41%	0.405	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-41.9	176.4	-65.7	165.9	0	0	0	110.6	I40 R41 C42 R47 N48	I40-I44 HydrophobicContact CG2-CD1 3.93Å; I40-I44 WeakPolarHBondContact O-CG1 3.41Å; I40-I44 PolarHBondContact O-N 3.14Å; R41-I44 PolarHBondContact O-N 3.08Å; C42-I44 VanDerWaalsContact C-N 3.33Å; C42-I44 PolarHBondContact O-N 2.88Å; I44-R47 WeakPolarHBondContact O-CB 3.47Å; I44-R47 PolarHBondContact O-N 3.39Å; I44-N48 VanDerWaalsContact O-CG 3.24Å; I44-N48 PolarHBondContact O-N 3.29Å; I44-N48 PolarHBondContact O-ND2 3.47Å
45	G	93.7	Very high	91.6	Very high	19 Å²	19	77.6 Å²	77.6	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-58	-52.8	175.2	0	0	0	0	0	112.1	R41 C42 R47 N48 I49	R41-G45 PolarHBondContact O-N 3.37Å; C42-G45 PolarHBondContact O-N 2.99Å; G45-R47 VanDerWaalsContact C-N 3.35Å; G45-R47 PolarHBondContact O-N 3.45Å; G45-N48 PolarHBondContact O-N 3.31Å; G45-N48 VanDerWaalsContact O-N 3.12Å; G45-I49 WeakPolarHBondContact O-CG1 3.25Å; G45-I49 PolarHBondContact O-N 2.93Å
46	W	95.9	Very high	92.4	Very high	13 Å²	13	75.5 Å²	75.5	5%	0.049	37%	0.369	C	S	.	.	H	α-helix	trans	-60.6	-41.9	176.5	-79.1	116.1	0	0	0	112.6	I19 C42 N48 I49 I50 H64 D67 L68 F71	I19-W46 HydrophobicContact CD1-CH2 4.31Å; I19-W46 HydrophobicContact CD1-CZ2 3.84Å; C42-W46 PolarHBondContact O-N 3.18Å; W46-N48 VanDerWaalsContact C-N 3.28Å; W46-N48 PolarHBondContact O-N 2.84Å; W46-I49 HydrophobicContact CE3-CD1 4.1Å; W46-I49 HydrophobicContact CZ3-CD1 4.23Å; W46-I49 PolarHBondContact O-N 3.3Å; W46-I50 WeakPolarHBondContact O-CB 3.49Å; W46-I50 WeakPolarHBondContact O-CD1 3.39Å; W46-I50 VanDerWaalsContact O-CG1 3.23Å; W46-I50 WeakPolarHBondContact O-CG1 3.23Å; W46-I50 PolarHBondContact O-N 3.36Å; W46-H64 VanDerWaalsContact CH2-O 3.29Å; W46-H64 WeakPolarHBondContact CH2-O 3.49Å; W46-D67 HydrophobicContact CH2-CB 3.88Å; W46-D67 VanDerWaalsContact CZ2-C 3.44Å; W46-D67 HydrophobicContact CZ2-CB 3.96Å; W46-L68 HydrophobicContact CB-CD1 4.44Å; W46-L68 HydrophobicContact CD2-CB 4.41Å; W46-L68 HydrophobicContact CD2-CD1 3.68Å; W46-L68 HydrophobicContact CE3-CB 4.07Å; W46-L68 HydrophobicContact CE3-CD1 3.83Å; W46-L68 HydrophobicContact CE3-CG 4.41Å; W46-L68 HydrophobicContact CG-CD1 3.96Å; W46-L68 HydrophobicContact CH2-CB 3.75Å; W46-L68 VanDerWaalsContact CH2-N 3.25Å; W46-L68 HydrophobicContact CZ2-CB 4.09Å; W46-L68 VanDerWaalsContact CZ2-N 3.32Å; W46-L68 HydrophobicContact CZ3-CB 3.74Å; W46-L68 HydrophobicContact CZ3-CD1 4.38Å; W46-F71 AromaticContact CD1-CD1 3.27Å; W46-F71 AromaticContact CD1-CE1 3.58Å; W46-F71 AromaticContact CD1-CG 3.52Å; W46-F71 HydrophobicContact CG-CD1 4.14Å; W46-F71 HydrophobicContact CG-CE1 4.41Å; W46-F71 HydrophobicContact CZ2-CB 4.48Å; W46-F71 AromaticContact NE1-CD1 3.46Å; W46-F71 AromaticContact NE1-CD2 3.85Å; W46-F71 AromaticContact NE1-CG 3.25Å
47	R	95.4	Very high	92.8	Very high	157 Å²	157	76.2 Å²	76.2	59%	0.592	38%	0.382	S	S	*	.	H	α-helix	trans	-55.1	-46.7	173.7	-173.6	-155.6	76.7	-175.4	5.1	111	M43 I44 G45 Y51	M43-R47 WeakPolarHBondContact O-CB 3.32Å; M43-R47 PolarHBondContact O-N 3.43Å; I44-R47 WeakPolarHBondContact O-CB 3.47Å; I44-R47 PolarHBondContact O-N 3.39Å; G45-R47 VanDerWaalsContact C-N 3.35Å; G45-R47 PolarHBondContact O-N 3.45Å; R47-Y51 WeakPolarHBondContact O-CB 3.46Å; R47-Y51 PolarHBondContact O-N 3.36Å
48	N	94.8	Very high	93	Very high	69 Å²	69	77.5 Å²	77.5	37%	0.369	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-42.4	-179.4	-67.9	-18.2	0	0	0	111.8	I44 G45 W46 Y51 T52	I44-N48 VanDerWaalsContact O-CG 3.24Å; I44-N48 PolarHBondContact O-N 3.29Å; I44-N48 PolarHBondContact O-ND2 3.47Å; G45-N48 PolarHBondContact O-N 3.31Å; G45-N48 VanDerWaalsContact O-N 3.12Å; W46-N48 VanDerWaalsContact C-N 3.28Å; W46-N48 PolarHBondContact O-N 2.84Å; N48-Y51 PolarHBondContact O-N 3.34Å; N48-T52 PolarHBondContact O-N 3.36Å; N48-T52 PolarHBondContact O-OG1 2.92Å
49	I	92.4	Very high	93.2	Very high	23 Å²	23	80 Å²	80	12%	0.118	41%	0.405	C	S	.	.	H	α-helix	trans	-60.7	-51.1	176.5	-66.5	167	0	0	0	110.3	A15 G45 W46 Y51 T52 C53 L60	A15-I49 HydrophobicContact CB-CD1 3.76Å; G45-I49 WeakPolarHBondContact O-CG1 3.25Å; G45-I49 PolarHBondContact O-N 2.93Å; W46-I49 HydrophobicContact CE3-CD1 4.1Å; W46-I49 HydrophobicContact CZ3-CD1 4.23Å; W46-I49 PolarHBondContact O-N 3.3Å; I49-Y51 VanDerWaalsContact C-N 3.29Å; I49-Y51 PolarHBondContact O-N 3.44Å; I49-T52 PolarHBondContact O-N 2.9Å; I49-C53 PolarHBondContact O-N 3.37Å; I49-C53 PolarHBondContact O-SG 3.23Å; I49-C53 VanDerWaalsContact O-SG 3.41Å; I49-L60 HydrophobicContact CG2-CD2 3.57Å
50	I	94	Very high	93.3	Very high	77 Å²	77	78.7 Å²	78.7	40%	0.395	40%	0.401	S	S	.	.	H	α-helix	trans	-60.2	-42.4	179.2	-67.7	165.9	0	0	0	110.5	W46 C53 L54 L60 L68	W46-I50 WeakPolarHBondContact O-CB 3.49Å; W46-I50 WeakPolarHBondContact O-CD1 3.39Å; W46-I50 VanDerWaalsContact O-CG1 3.23Å; W46-I50 WeakPolarHBondContact O-CG1 3.23Å; W46-I50 PolarHBondContact O-N 3.36Å; I50-C53 PolarHBondContact O-N 2.97Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 3.24Å; I50-L60 HydrophobicContact CG1-CD1 4.37Å; I50-L68 HydrophobicContact CD1-CD2 4.38Å
51	Y	94.4	Very high	93.3	Very high	144 Å²	144	79.3 Å²	79.3	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-63.3	-43.9	177.1	-176.3	-97.2	0	0	0	112.1	R47 N48 I49 L54 T55	R47-Y51 WeakPolarHBondContact O-CB 3.46Å; R47-Y51 PolarHBondContact O-N 3.36Å; N48-Y51 PolarHBondContact O-N 3.34Å; I49-Y51 VanDerWaalsContact C-N 3.29Å; I49-Y51 PolarHBondContact O-N 3.44Å; Y51-L54 WeakPolarHBondContact O-CB 2.96Å; Y51-L54 PolarHBondContact O-N 2.99Å; Y51-T55 HydrophobicContact CD1-CG2 4.08Å; Y51-T55 HydrophobicContact CE1-CG2 3.63Å; Y51-T55 HydrophobicContact CE2-CG2 4.09Å; Y51-T55 WeakPolarHBondContact O-CG2 3.13Å; Y51-T55 PolarHBondContact O-N 2.96Å; Y51-T55 PolarHBondContact O-OG1 3.36Å
52	T	93.2	Very high	93.3	Very high	56 Å²	56	80.7 Å²	80.7	34%	0.344	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-50.4	175.2	-62.5	0	0	0	0	110.7	N48 I49 L54 T55 S56	N48-T52 PolarHBondContact O-N 3.36Å; N48-T52 PolarHBondContact O-OG1 2.92Å; I49-T52 PolarHBondContact O-N 2.9Å; T52-L54 VanDerWaalsContact C-N 3.29Å; T52-L54 PolarHBondContact O-N 2.87Å; T52-T55 PolarHBondContact O-N 2.86Å; T52-T55 PolarHBondContact O-OG1 3.48Å; T52-S56 WeakPolarHBondContact O-CB 3.14Å; T52-S56 PolarHBondContact O-N 3.29Å; T52-S56 PolarHBondContact O-OG 2.77Å
53	C	93.4	Very high	93.4	Very high	21 Å²	21	81.9 Å²	81.9	14%	0.142	43%	0.426	C	S	.	.	H	α-helix	trans	-54.8	-46.1	176.2	-68.7	0	0	0	0	111.8	I49 I50 T55 S56 N57 Q58	I49-C53 PolarHBondContact O-N 3.37Å; I49-C53 PolarHBondContact O-SG 3.23Å; I49-C53 VanDerWaalsContact O-SG 3.41Å; I50-C53 PolarHBondContact O-N 2.97Å; C53-T55 PolarHBondContact O-N 3.25Å; C53-S56 PolarHBondContact O-N 3.3Å; C53-N57 PolarHBondContact O-N 3.09Å; C53-N57 VanDerWaalsContact O-N 3.14Å; C53-Q58 CarbonylContact C-O 3.19Å; C53-Q58 WeakPolarHBondContact CB-O 3.37Å; C53-Q58 PolarHBondContact O-N 3.01Å
54	L	92.7	Very high	93.3	Very high	134 Å²	134	78.6 Å²	78.6	70%	0.702	41%	0.41	S	S	*	.	H	α-helix	trans	-60.2	-46.9	178.1	-176.5	65.8	0	0	0	112.1	I50 Y51 T52 N57	I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 3.24Å; Y51-L54 WeakPolarHBondContact O-CB 2.96Å; Y51-L54 PolarHBondContact O-N 2.99Å; T52-L54 VanDerWaalsContact C-N 3.29Å; T52-L54 PolarHBondContact O-N 2.87Å; L54-N57 PolarHBondContact O-N 2.76Å
55	T	95.5	Very high	93.2	Very high	84 Å²	84	79.3 Å²	79.3	52%	0.515	41%	0.414	S	S	.	.	H	α-helix	trans	-72.8	-27.1	-179.1	58.2	0	0	0	0	113.9	Y51 T52 C53 N57	Y51-T55 HydrophobicContact CD1-CG2 4.08Å; Y51-T55 HydrophobicContact CE1-CG2 3.63Å; Y51-T55 HydrophobicContact CE2-CG2 4.09Å; Y51-T55 WeakPolarHBondContact O-CG2 3.13Å; Y51-T55 PolarHBondContact O-N 2.96Å; Y51-T55 PolarHBondContact O-OG1 3.36Å; T52-T55 PolarHBondContact O-N 2.86Å; T52-T55 PolarHBondContact O-OG1 3.48Å; C53-T55 PolarHBondContact O-N 3.25Å; T55-N57 VanDerWaalsContact C-N 3.34Å
56	S	93.4	Very high	93.2	Very high	51 Å²	51	83.1 Å²	83.1	36%	0.357	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.3	176.9	-62	0	0	0	0	113.5	T52 C53 Q58	T52-S56 WeakPolarHBondContact O-CB 3.14Å; T52-S56 PolarHBondContact O-N 3.29Å; T52-S56 PolarHBondContact O-OG 2.77Å; C53-S56 PolarHBondContact O-N 3.3Å; S56-Q58 PolarHBondContact O-N 2.85Å
57	N	91	Very high	93.1	Very high	158 Å²	158	83.6 Å²	83.6	85%	0.845	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	40	-172.6	-162.8	53.2	0	0	0	112.3	C53 L54 T55	C53-N57 PolarHBondContact O-N 3.09Å; C53-N57 VanDerWaalsContact O-N 3.14Å; L54-N57 PolarHBondContact O-N 2.76Å; T55-N57 VanDerWaalsContact C-N 3.34Å
58	Q	91	Very high	93.1	Very high	104 Å²	104	77.4 Å²	77.4	49%	0.486	41%	0.412	S	S	.	.			trans	-113	159.5	177	-71	-178.9	-30	0	0	109.6	C53 S56	C53-Q58 CarbonylContact C-O 3.19Å; C53-Q58 WeakPolarHBondContact CB-O 3.37Å; C53-Q58 PolarHBondContact O-N 3.01Å; S56-Q58 PolarHBondContact O-N 2.85Å
59	T	92	Very high	93.1	Very high	128 Å²	128	76.8 Å²	76.8	79%	0.785	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-101.4	162.5	170.7	59	0	0	0	0	110.4
60	L	91.1	Very high	93.2	Very high	30 Å²	30	80.4 Å²	80.4	16%	0.157	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-64.8	135.6	163.7	-68.8	170.1	0	0	0	109	I49 I50 H64 L65 L68	I49-L60 HydrophobicContact CG2-CD2 3.57Å; I50-L60 HydrophobicContact CG1-CD1 4.37Å; L60-H64 HydrophobicContact CB-CB 4.22Å; L60-H64 HydrophobicContact CD2-CB 3.86Å; L60-L65 HydrophobicContact CB-CD2 3.82Å; L60-L65 HydrophobicContact CB-CG 3.75Å; L60-L65 HydrophobicContact CD1-CD2 3.89Å; L60-L68 HydrophobicContact CD1-CD2 3.88Å
61	D	91.6	Very high	93.2	Very high	67 Å²	67	77.9 Å²	77.9	36%	0.358	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-72.5	170.7	169.8	66.2	45.8	0	0	0	111.5	S63 H64 L65	D61-S63 VanDerWaalsContact C-N 3.28Å; D61-S63 PolarHBondContact O-N 2.85Å; D61-S63 WeakPolarHBondContact OD1-CA 3.39Å; D61-S63 WeakPolarHBondContact OD1-CB 3.4Å; D61-S63 PolarHBondContact OD1-N 3.27Å; D61-H64 PolarHBondContact O-N 2.91Å; D61-H64 IonicContact OD1-CE1 3.93Å; D61-H64 IonicContact OD1-CG 3.57Å; D61-H64 PolarHBondContact OD1-N 2.66Å; D61-H64 IonicContact OD1-ND1 2.85Å; D61-H64 PolarHBondContact OD1-ND1 3.24Å; D61-H64 IonicContact OD2-CE1 3.3Å; D61-H64 PolarHBondContact OD2-CE1 2.87Å; D61-H64 VanDerWaalsContact OD2-CE1 3.3Å; D61-H64 IonicContact OD2-CG 4Å; D61-H64 IonicContact OD2-ND1 2.77Å; D61-H64 PolarHBondContact OD2-ND1 3.41Å; D61-L65 WeakPolarHBondContact O-CG 3.48Å; D61-L65 PolarHBondContact O-N 3.4Å
62	E	93.9	Very high	93.2	Very high	171 Å²	171	75.1 Å²	75.1	80%	0.799	41%	0.411	S	S	*	.	H	α-helix	trans	-57.7	-38.2	-177.4	-172.8	178.2	179.7	0	0	113	L65 L66	E62-L65 PolarHBondContact O-N 3.45Å; E62-L66 WeakPolarHBondContact O-CB 3.29Å; E62-L66 PolarHBondContact O-N 3.47Å
63	S	93.5	Very high	93.2	Very high	53 Å²	53	77.7 Å²	77.7	37%	0.371	42%	0.419	S	S	.	.	H	α-helix	trans	-66.3	-47.8	178.7	-173.1	0	0	0	0	110.8	D61 L65 L66 D67	D61-S63 VanDerWaalsContact C-N 3.28Å; D61-S63 PolarHBondContact O-N 2.85Å; D61-S63 WeakPolarHBondContact OD1-CA 3.39Å; D61-S63 WeakPolarHBondContact OD1-CB 3.4Å; D61-S63 PolarHBondContact OD1-N 3.27Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.91Å; S63-L66 PolarHBondContact O-N 3.47Å; S63-D67 VanDerWaalsContact O-CG 3.32Å; S63-D67 PolarHBondContact O-N 2.88Å
64	H	91.2	Very high	93	Very high	13 Å²	13	80.5 Å²	80.5	6%	0.06	43%	0.433	C	S	.	.	H	α-helix	trans	-65.9	-36	178.8	-70.9	92.9	0	0	0	111.8	W46 L60 D61 D67 L68	W46-H64 VanDerWaalsContact CH2-O 3.29Å; W46-H64 WeakPolarHBondContact CH2-O 3.49Å; L60-H64 HydrophobicContact CB-CB 4.22Å; L60-H64 HydrophobicContact CD2-CB 3.86Å; D61-H64 PolarHBondContact O-N 2.91Å; D61-H64 IonicContact OD1-CE1 3.93Å; D61-H64 IonicContact OD1-CG 3.57Å; D61-H64 PolarHBondContact OD1-N 2.66Å; D61-H64 IonicContact OD1-ND1 2.85Å; D61-H64 PolarHBondContact OD1-ND1 3.24Å; D61-H64 IonicContact OD2-CE1 3.3Å; D61-H64 PolarHBondContact OD2-CE1 2.87Å; D61-H64 VanDerWaalsContact OD2-CE1 3.3Å; D61-H64 IonicContact OD2-CG 4Å; D61-H64 IonicContact OD2-ND1 2.77Å; D61-H64 PolarHBondContact OD2-ND1 3.41Å; H64-D67 PolarHBondContact O-N 3.48Å; H64-L68 VanDerWaalsContact O-CB 3.29Å; H64-L68 WeakPolarHBondContact O-CB 3.29Å; H64-L68 PolarHBondContact O-N 3.19Å
65	L	93.2	Very high	92.9	Very high	93 Å²	93	76.8 Å²	76.8	49%	0.487	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-44.1	173.6	-75.5	172.2	0	0	0	111.8	L60 D61 E62 S63 D67 L68 A69	L60-L65 HydrophobicContact CB-CD2 3.82Å; L60-L65 HydrophobicContact CB-CG 3.75Å; L60-L65 HydrophobicContact CD1-CD2 3.89Å; D61-L65 WeakPolarHBondContact O-CG 3.48Å; D61-L65 PolarHBondContact O-N 3.4Å; E62-L65 PolarHBondContact O-N 3.45Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.91Å; L65-D67 VanDerWaalsContact C-N 3.34Å; L65-L68 PolarHBondContact O-N 3.45Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 2.98Å
66	L	94.7	Very high	92.7	Very high	99 Å²	99	75.2 Å²	75.2	52%	0.518	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-40.3	177.4	-179.6	60.6	0	0	0	111.7	E62 S63 A69 K70	E62-L66 WeakPolarHBondContact O-CB 3.29Å; E62-L66 PolarHBondContact O-N 3.47Å; S63-L66 PolarHBondContact O-N 3.47Å; L66-A69 PolarHBondContact O-N 3.25Å; L66-K70 VanDerWaalsContact O-CG 3.32Å; L66-K70 WeakPolarHBondContact O-CG 3.47Å; L66-K70 PolarHBondContact O-N 3.29Å
67	D	93.5	Very high	92.4	Very high	24 Å²	24	75.4 Å²	75.4	13%	0.128	41%	0.405	C	S	.	.	H	α-helix	trans	-71.4	-35.7	178.5	-68	-23.9	0	0	0	112.2	I19 W46 S63 H64 L65 K70 F71	I19-D67 HydrophobicContact CD1-CB 4.19Å; W46-D67 HydrophobicContact CH2-CB 3.88Å; W46-D67 VanDerWaalsContact CZ2-C 3.44Å; W46-D67 HydrophobicContact CZ2-CB 3.96Å; S63-D67 VanDerWaalsContact O-CG 3.32Å; S63-D67 PolarHBondContact O-N 2.88Å; H64-D67 PolarHBondContact O-N 3.48Å; L65-D67 VanDerWaalsContact C-N 3.34Å; D67-K70 PolarHBondContact O-N 3.43Å; D67-K70 IonicContact OD1-NZ 2.94Å; D67-K70 PolarHBondContact OD1-NZ 2.93Å; D67-F71 WeakPolarHBondContact O-CB 3.47Å; D67-F71 PolarHBondContact O-N 2.75Å
68	L	94	Very high	92.2	Very high	27 Å²	27	69.3 Å²	69.3	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-62.6	-44.9	170.9	177.5	60	0	0	0	110.7	W46 I50 L60 H64 L65 K70 F71 L72	W46-L68 HydrophobicContact CB-CD1 4.44Å; W46-L68 HydrophobicContact CD2-CB 4.41Å; W46-L68 HydrophobicContact CD2-CD1 3.68Å; W46-L68 HydrophobicContact CE3-CB 4.07Å; W46-L68 HydrophobicContact CE3-CD1 3.83Å; W46-L68 HydrophobicContact CE3-CG 4.41Å; W46-L68 HydrophobicContact CG-CD1 3.96Å; W46-L68 HydrophobicContact CH2-CB 3.75Å; W46-L68 VanDerWaalsContact CH2-N 3.25Å; W46-L68 HydrophobicContact CZ2-CB 4.09Å; W46-L68 VanDerWaalsContact CZ2-N 3.32Å; W46-L68 HydrophobicContact CZ3-CB 3.74Å; W46-L68 HydrophobicContact CZ3-CD1 4.38Å; I50-L68 HydrophobicContact CD1-CD2 4.38Å; L60-L68 HydrophobicContact CD1-CD2 3.88Å; H64-L68 VanDerWaalsContact O-CB 3.29Å; H64-L68 WeakPolarHBondContact O-CB 3.29Å; H64-L68 PolarHBondContact O-N 3.19Å; L65-L68 PolarHBondContact O-N 3.45Å; L68-K70 PolarHBondContact O-N 3.24Å; L68-F71 HydrophobicContact CD1-CD1 4.33Å; L68-F71 WeakPolarHBondContact O-CB 3.42Å; L68-F71 PolarHBondContact O-N 2.9Å; L68-L72 HydrophobicContact CD1-CD1 4.07Å; L68-L72 HydrophobicContact CD1-CG 4.05Å; L68-L72 HydrophobicContact CG-CD1 4.02Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 3.37Å
69	A	95.3	Very high	92	Very high	55 Å²	55	67.9 Å²	67.9	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-45.3	177.2	0	0	0	0	0	111.7	L65 L66 F71 L72 Q73	L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 2.98Å; L66-A69 PolarHBondContact O-N 3.25Å; A69-F71 PolarHBondContact O-N 3.36Å; A69-L72 PolarHBondContact O-N 3.25Å; A69-Q73 VanDerWaalsContact O-CB 3.28Å; A69-Q73 WeakPolarHBondContact O-CB 3.43Å; A69-Q73 PolarHBondContact O-N 3.42Å
70	K	94.3	Very high	91.8	Very high	99 Å²	99	65 Å²	65	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-44.4	174.3	-71.1	167.9	-168.8	155.4	0	111.7	L66 D67 L68 Q73 N74	L66-K70 VanDerWaalsContact O-CG 3.32Å; L66-K70 WeakPolarHBondContact O-CG 3.47Å; L66-K70 PolarHBondContact O-N 3.29Å; D67-K70 PolarHBondContact O-N 3.43Å; D67-K70 IonicContact OD1-NZ 2.94Å; D67-K70 PolarHBondContact OD1-NZ 2.93Å; L68-K70 PolarHBondContact O-N 3.24Å; K70-Q73 PolarHBondContact O-N 3.42Å; K70-N74 WeakPolarHBondContact O-CB 3.3Å; K70-N74 PolarHBondContact O-N 3.47Å; K70-N74 PolarHBondContact O-ND2 3.42Å
71	F	93.8	Very high	91.6	Very high	25 Å²	25	69.9 Å²	69.9	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-59.9	-50.9	177.8	167.3	-104.7	0	0	0	111.6	Y39 C42 M43 W46 D67 L68 A69 Q73 N74 M75	Y39-F71 HydrophobicContact CD1-CE2 4.14Å; C42-F71 HydrophobicContact CB-CD2 3.96Å; C42-F71 HydrophobicContact CB-CE2 3.39Å; C42-F71 HydrophobicContact CB-CZ 4.06Å; M43-F71 HydrophobicContact CG-CE1 4.24Å; M43-F71 HydrophobicContact CG-CZ 3.66Å; W46-F71 AromaticContact CD1-CD1 3.27Å; W46-F71 AromaticContact CD1-CE1 3.58Å; W46-F71 AromaticContact CD1-CG 3.52Å; W46-F71 HydrophobicContact CG-CD1 4.14Å; W46-F71 HydrophobicContact CG-CE1 4.41Å; W46-F71 HydrophobicContact CZ2-CB 4.48Å; W46-F71 AromaticContact NE1-CD1 3.46Å; W46-F71 AromaticContact NE1-CD2 3.85Å; W46-F71 AromaticContact NE1-CG 3.25Å; D67-F71 WeakPolarHBondContact O-CB 3.47Å; D67-F71 PolarHBondContact O-N 2.75Å; L68-F71 HydrophobicContact CD1-CD1 4.33Å; L68-F71 WeakPolarHBondContact O-CB 3.42Å; L68-F71 PolarHBondContact O-N 2.9Å; A69-F71 PolarHBondContact O-N 3.36Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 3.35Å; F71-N74 PolarHBondContact O-N 2.89Å; F71-M75 HydrophobicContact CE1-SD 4.45Å; F71-M75 HydrophobicContact CZ-SD 4.21Å; F71-M75 WeakPolarHBondContact O-CB 3.44Å; F71-M75 PolarHBondContact O-N 3.48Å
72	L	94.8	Very high	91.3	Very high	85 Å²	85	72.6 Å²	72.6	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-41	178.9	-68	174.3	0	0	0	111.5	L68 A69 M75 A76	L68-L72 HydrophobicContact CD1-CD1 4.07Å; L68-L72 HydrophobicContact CD1-CG 4.05Å; L68-L72 HydrophobicContact CG-CD1 4.02Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 3.37Å; A69-L72 PolarHBondContact O-N 3.25Å; L72-M75 HydrophobicContact CD2-CE 4.21Å; L72-M75 PolarHBondContact O-N 3.04Å; L72-A76 WeakPolarHBondContact O-CB 3.32Å; L72-A76 PolarHBondContact O-N 3.11Å
73	Q	92.8	Very high	91	Very high	110 Å²	110	70.4 Å²	70.4	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-43.9	176.2	-177.1	59.2	78.4	0	0	112.1	A69 K70 F71 A76 I77	A69-Q73 VanDerWaalsContact O-CB 3.28Å; A69-Q73 WeakPolarHBondContact O-CB 3.43Å; A69-Q73 PolarHBondContact O-N 3.42Å; K70-Q73 PolarHBondContact O-N 3.42Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 3.35Å; Q73-A76 PolarHBondContact O-N 3.3Å; Q73-I77 HydrophobicContact CG-CD1 4.1Å; Q73-I77 VanDerWaalsContact O-CG1 3.31Å; Q73-I77 WeakPolarHBondContact O-CG1 3.32Å; Q73-I77 PolarHBondContact O-N 3.4Å
74	N	90.3	Very high	90.7	Very high	80 Å²	80	68.3 Å²	68.3	43%	0.428	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-41.3	176.6	-73.8	-27.2	0	0	0	111.3	K70 F71 I77 S78	K70-N74 WeakPolarHBondContact O-CB 3.3Å; K70-N74 PolarHBondContact O-N 3.47Å; K70-N74 PolarHBondContact O-ND2 3.42Å; F71-N74 PolarHBondContact O-N 2.89Å; N74-I77 PolarHBondContact O-N 2.89Å; N74-S78 WeakPolarHBondContact O-CB 3.43Å; N74-S78 PolarHBondContact O-N 3.28Å; N74-S78 PolarHBondContact O-OG 2.94Å
75	M	90.1	Very high	90.5	Very high	56 Å²	56	71.1 Å²	71.1	28%	0.276	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176	-171	178.6	75.1	0	0	111.6	Y39 M43 F71 L72 S78 T79	Y39-M75 HydrophobicContact CD1-CB 4.45Å; Y39-M75 HydrophobicContact CD1-CG 4.47Å; Y39-M75 HydrophobicContact CE1-CB 4.37Å; M43-M75 HydrophobicContact CG-SD 4.3Å; M43-M75 HydrophobicContact SD-SD 3.99Å; F71-M75 HydrophobicContact CE1-SD 4.45Å; F71-M75 HydrophobicContact CZ-SD 4.21Å; F71-M75 WeakPolarHBondContact O-CB 3.44Å; F71-M75 PolarHBondContact O-N 3.48Å; L72-M75 HydrophobicContact CD2-CE 4.21Å; L72-M75 PolarHBondContact O-N 3.04Å; M75-S78 PolarHBondContact O-N 3.24Å; M75-T79 VanDerWaalsContact O-CB 3.32Å; M75-T79 WeakPolarHBondContact O-CB 3.36Å; M75-T79 PolarHBondContact O-N 2.94Å; M75-T79 PolarHBondContact O-OG1 3.34Å
76	A	90.7	Very high	90.2	Very high	52 Å²	52	74.4 Å²	74.4	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-47.2	175.4	0	0	0	0	0	111.6	L72 Q73 S78 T79 Q80	L72-A76 WeakPolarHBondContact O-CB 3.32Å; L72-A76 PolarHBondContact O-N 3.11Å; Q73-A76 PolarHBondContact O-N 3.3Å; A76-S78 PolarHBondContact O-N 3.37Å; A76-T79 PolarHBondContact O-N 3.22Å; A76-Q80 VanDerWaalsContact O-CB 3.31Å; A76-Q80 WeakPolarHBondContact O-CB 3.31Å; A76-Q80 PolarHBondContact O-N 2.9Å
77	I	87.4	Confident	89.9	Confident	55 Å²	55	72.6 Å²	72.6	28%	0.282	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-45.4	177.6	-69.9	164.6	0	0	0	111.1	Q73 N74 Q80 R81	Q73-I77 HydrophobicContact CG-CD1 4.1Å; Q73-I77 VanDerWaalsContact O-CG1 3.31Å; Q73-I77 WeakPolarHBondContact O-CG1 3.32Å; Q73-I77 PolarHBondContact O-N 3.4Å; N74-I77 PolarHBondContact O-N 2.89Å; I77-Q80 WeakPolarHBondContact O-CB 3.37Å; I77-Q80 PolarHBondContact O-N 3.03Å; I77-R81 WeakPolarHBondContact O-CG 3.31Å; I77-R81 PolarHBondContact O-N 3.02Å
78	S	87.3	Confident	89.7	Confident	30 Å²	30	76.5 Å²	76.5	21%	0.21	42%	0.416	C	S	.	.	H	α-helix	trans	-68.6	-40.5	-179.2	-68.8	0	0	0	0	112.6	Y39 N74 M75 A76 Q80 R81 L82	Y39-S78 WeakPolarHBondContact OH-CB 3.31Å; Y39-S78 PolarHBondContact OH-OG 3.24Å; N74-S78 WeakPolarHBondContact O-CB 3.43Å; N74-S78 PolarHBondContact O-N 3.28Å; N74-S78 PolarHBondContact O-OG 2.94Å; M75-S78 PolarHBondContact O-N 3.24Å; A76-S78 PolarHBondContact O-N 3.37Å; S78-Q80 VanDerWaalsContact C-N 3.3Å; S78-Q80 PolarHBondContact O-N 3.48Å; S78-R81 WeakPolarHBondContact O-CB 3.35Å; S78-R81 PolarHBondContact O-N 2.92Å; S78-L82 PolarHBondContact O-N 3.23Å
79	T	87.4	Confident	89.8	Confident	74 Å²	74	76.5 Å²	76.5	45%	0.454	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-44.6	172.7	-56.9	0	0	0	0	110.5	M75 A76 R81 L82 L83	M75-T79 VanDerWaalsContact O-CB 3.32Å; M75-T79 WeakPolarHBondContact O-CB 3.36Å; M75-T79 PolarHBondContact O-N 2.94Å; M75-T79 PolarHBondContact O-OG1 3.34Å; A76-T79 PolarHBondContact O-N 3.22Å; T79-R81 PolarHBondContact O-N 3.41Å; T79-L82 WeakPolarHBondContact O-CB 3.28Å; T79-L82 PolarHBondContact O-N 2.97Å; T79-L83 HydrophobicContact CG2-CD1 4.24Å; T79-L83 WeakPolarHBondContact O-CG 3.41Å; T79-L83 PolarHBondContact O-N 3.35Å
80	Q	87.6	Confident	89.9	Confident	67 Å²	67	73.9 Å²	73.9	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-44.8	175.8	-175.7	-178.7	8.1	0	0	111.9	A76 I77 S78 L82 L83 E84 Y103	A76-Q80 VanDerWaalsContact O-CB 3.31Å; A76-Q80 WeakPolarHBondContact O-CB 3.31Å; A76-Q80 PolarHBondContact O-N 2.9Å; I77-Q80 WeakPolarHBondContact O-CB 3.37Å; I77-Q80 PolarHBondContact O-N 3.03Å; S78-Q80 VanDerWaalsContact C-N 3.3Å; S78-Q80 PolarHBondContact O-N 3.48Å; Q80-L82 VanDerWaalsContact C-N 3.29Å; Q80-L82 PolarHBondContact O-N 3.28Å; Q80-L83 PolarHBondContact O-N 2.89Å; Q80-E84 VanDerWaalsContact CG-CD 3.43Å; Q80-E84 HydrophobicContact CG-CG 4.43Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.47Å; Q80-E84 PolarHBondContact NE2-OE1 2.95Å; Q80-E84 WeakPolarHBondContact O-CB 3.27Å; Q80-E84 VanDerWaalsContact O-CG 3.27Å; Q80-E84 WeakPolarHBondContact O-CG 3.36Å; Q80-E84 PolarHBondContact O-N 2.99Å; Q80-Y103 PolarHBondContact NE2-OH 3.38Å; Q80-Y103 VanDerWaalsContact NE2-OH 3.11Å
81	R	87.1	Confident	89.9	Confident	132 Å²	132	72.9 Å²	72.9	50%	0.498	40%	0.396	S	S	.	.	H	α-helix	trans	-57.9	-40.6	175.2	-75.3	175.1	179.3	176.5	2.3	112.3	I77 S78 T79 E84 A85	I77-R81 WeakPolarHBondContact O-CG 3.31Å; I77-R81 PolarHBondContact O-N 3.02Å; S78-R81 WeakPolarHBondContact O-CB 3.35Å; S78-R81 PolarHBondContact O-N 2.92Å; T79-R81 PolarHBondContact O-N 3.41Å; R81-E84 PolarHBondContact O-N 2.91Å; R81-A85 PolarHBondContact O-N 3.18Å; R81-A85 VanDerWaalsContact O-N 3.11Å
82	L	84.9	Confident	89.9	Confident	124 Å²	124	73.4 Å²	73.4	65%	0.649	40%	0.398	S	S	*	.	H	α-helix	trans	-65.1	-46.5	178	-177.6	65.3	0	0	0	111.5	S78 T79 Q80 E84 A85	S78-L82 PolarHBondContact O-N 3.23Å; T79-L82 WeakPolarHBondContact O-CB 3.28Å; T79-L82 PolarHBondContact O-N 2.97Å; Q80-L82 VanDerWaalsContact C-N 3.29Å; Q80-L82 PolarHBondContact O-N 3.28Å; L82-E84 PolarHBondContact O-N 2.98Å; L82-A85 WeakPolarHBondContact O-CB 3.25Å; L82-A85 PolarHBondContact O-N 2.97Å
83	L	86.3	Confident	90	Very high	126 Å²	126	69.4 Å²	69.4	66%	0.66	38%	0.377	S	S	*	.	H	α-helix	trans	-64.6	-26.5	178.4	-67.3	173.3	0	0	0	112.9	T79 Q80	T79-L83 HydrophobicContact CG2-CD1 4.24Å; T79-L83 WeakPolarHBondContact O-CG 3.41Å; T79-L83 PolarHBondContact O-N 3.35Å; Q80-L83 PolarHBondContact O-N 2.89Å
84	E	88.9	Confident	90	Very high	9 Å²	9	66.2 Å²	66.2	4%	0.042	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.7	-177.5	-69.4	164.8	-179	0	0	113.9	Q80 R81 L82 N86 V87 L89 R94 Y103	Q80-E84 VanDerWaalsContact CG-CD 3.43Å; Q80-E84 HydrophobicContact CG-CG 4.43Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.47Å; Q80-E84 PolarHBondContact NE2-OE1 2.95Å; Q80-E84 WeakPolarHBondContact O-CB 3.27Å; Q80-E84 VanDerWaalsContact O-CG 3.27Å; Q80-E84 WeakPolarHBondContact O-CG 3.36Å; Q80-E84 PolarHBondContact O-N 2.99Å; R81-E84 PolarHBondContact O-N 2.91Å; L82-E84 PolarHBondContact O-N 2.98Å; E84-N86 PolarHBondContact O-N 2.73Å; E84-V87 PolarHBondContact O-N 2.93Å; E84-L89 HydrophobicContact CB-CD2 3.87Å; E84-L89 HydrophobicContact CG-CD2 4.33Å; E84-R94 IonicContact OE2-CZ 2.92Å; E84-R94 IonicContact OE2-NE 2.76Å; E84-R94 PolarHBondContact OE2-NE 2.91Å; E84-R94 IonicContact OE2-NH1 2.93Å; E84-R94 IonicContact OE2-NH2 2.73Å; E84-R94 PolarHBondContact OE2-NH2 3.13Å; E84-Y103 WeakPolarHBondContact OE1-CE2 2.99Å; E84-Y103 PolarHBondContact OE1-OH 3.06Å
85	A	85.3	Confident	90.1	Very high	71 Å²	71	67.9 Å²	67.9	59%	0.587	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.3	-169.5	0	0	0	0	0	114.1	R81 L82	R81-A85 PolarHBondContact O-N 3.18Å; R81-A85 VanDerWaalsContact O-N 3.11Å; L82-A85 WeakPolarHBondContact O-CB 3.25Å; L82-A85 PolarHBondContact O-N 2.97Å
86	N	86.9	Confident	90.1	Very high	163 Å²	163	68.4 Å²	68.4	87%	0.872	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	13.5	-178.8	-61.5	-41.1	0	0	0	113.2	E84	E84-N86 PolarHBondContact O-N 2.73Å
87	V	88.7	Confident	90.2	Very high	60 Å²	60	72.9 Å²	72.9	36%	0.364	39%	0.39	S	S	.	.	S	Bend	trans	-102.5	125.9	-178.8	-177.9	0	0	0	0	109.4	E84 L89 T104	E84-V87 PolarHBondContact O-N 2.93Å; V87-L89 PolarHBondContact O-N 3.11Å; V87-T104 HydrophobicContact CG1-CG2 3.73Å
88	D	90.6	Very high	90.5	Very high	107 Å²	107	72.7 Å²	72.7	57%	0.572	39%	0.388	S	S	*	.			trans	-65.3	114.9	168.3	-84.7	-24.3	0	0	0	109.6	K107	D88-K107 VanDerWaalsContact CB-CE 3.49Å; D88-K107 WeakPolarHBondContact OD1-CE 3.27Å; D88-K107 IonicContact OD1-NZ 2.82Å; D88-K107 PolarHBondContact OD1-NZ 3.24Å; D88-K107 WeakPolarHBondContact OD2-CE 3.27Å; D88-K107 IonicContact OD2-NZ 3.75Å; D88-K107 PolarHBondContact OD2-NZ 3.3Å
89	L	95.4	Very high	90.9	Very high	27 Å²	27	74.4 Å²	74.4	14%	0.141	40%	0.398	C	S	.	.			trans	-139.1	161.9	-174.7	65.4	79.5	0	0	0	114.1	E84 V87 V91 Y103 T104 H106	E84-L89 HydrophobicContact CB-CD2 3.87Å; E84-L89 HydrophobicContact CG-CD2 4.33Å; V87-L89 PolarHBondContact O-N 3.11Å; L89-V91 HydrophobicContact CD1-CB 4.43Å; L89-V91 HydrophobicContact CD1-CG2 3.68Å; L89-Y103 CarbonylContact C-O 3.55Å; L89-Y103 VanDerWaalsContact CA-O 3.29Å; L89-Y103 WeakPolarHBondContact CA-O 3.27Å; L89-Y103 HydrophobicContact CB-CD2 4.14Å; L89-Y103 WeakPolarHBondContact CB-O 3.45Å; L89-T104 HydrophobicContact CB-CG2 4.49Å; L89-H106 CarbonylContact C-O 3.48Å
90	C	97	Very high	91.2	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	40%	0.398	C	S	.	.			trans	-93	98.3	174	-175.3	0	0	0	0	109.5	F92 C93 R94 Y103 H106	C90-F92 PolarHBondContact O-N 2.91Å; C90-C93 HydrophobicContact CB-CB 4.08Å; C90-C93 PolarHBondContact O-N 3.38Å; C90-C93 PolarHBondContact SG-SG 2.82Å; C90-R94 WeakPolarHBondContact O-CB 3.38Å; C90-R94 PolarHBondContact O-N 2.88Å; C90-Y103 PolarHBondContact N-O 2.81Å; C90-H106 WeakPolarHBondContact CA-O 2.98Å; C90-H106 VanDerWaalsContact CB-CD2 3.48Å; C90-H106 WeakPolarHBondContact CB-CD2 3.32Å; C90-H106 VanDerWaalsContact CB-NE2 3.32Å; C90-H106 WeakPolarHBondContact CB-NE2 3.48Å; C90-H106 VanDerWaalsContact CB-O 3.27Å; C90-H106 WeakPolarHBondContact CB-O 3.33Å; C90-H106 PolarHBondContact N-O 2.76Å; C90-H106 VanDerWaalsContact SG-CD2 3.6Å; C90-H106 PolarHBondContact SG-NE2 2.76Å
91	V	93.8	Very high	91.5	Very high	77 Å²	77	79.1 Å²	79.1	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-58	-30.5	178.1	-176.6	0	0	0	0	112	L89 N95 V108	L89-V91 HydrophobicContact CD1-CB 4.43Å; L89-V91 HydrophobicContact CD1-CG2 3.68Å; V91-N95 VanDerWaalsContact O-CB 3.3Å; V91-N95 WeakPolarHBondContact O-CB 3.47Å; V91-N95 VanDerWaalsContact O-CG 3.31Å; V91-N95 PolarHBondContact O-N 3.17Å; V91-N95 PolarHBondContact O-OD1 3.43Å; V91-N95 VanDerWaalsContact O-OD1 3.13Å; V91-V108 HydrophobicContact CB-CG2 4.34Å
92	F	95.5	Very high	91.9	Very high	37 Å²	37	75.9 Å²	75.9	16%	0.162	41%	0.406	C	S	.	.	H	α-helix	trans	-64.4	-52	176.2	-179	-97.3	0	0	0	111.9	C90 R94 N95 N96 V108 I119 L120 T137 F174	C90-F92 PolarHBondContact O-N 2.91Å; F92-R94 VanDerWaalsContact C-N 3.33Å; F92-R94 PolarHBondContact O-N 3.2Å; F92-N95 PolarHBondContact O-N 3.23Å; F92-N96 VanDerWaalsContact CE1-ND2 3.25Å; F92-N96 WeakPolarHBondContact CE1-ND2 3.03Å; F92-N96 WeakPolarHBondContact CZ-ND2 3.46Å; F92-N96 PolarHBondContact O-N 2.72Å; F92-N96 VanDerWaalsContact O-N 3.12Å; F92-V108 HydrophobicContact CB-CG1 4.46Å; F92-V108 HydrophobicContact CB-CG2 4.04Å; F92-I119 HydrophobicContact CE1-CB 4.16Å; F92-I119 HydrophobicContact CE1-CG2 3.81Å; F92-L120 HydrophobicContact CD1-CB 4.16Å; F92-L120 HydrophobicContact CE1-CB 4.07Å; F92-L120 HydrophobicContact CE2-CD1 4.2Å; F92-L120 HydrophobicContact CZ-CB 4.46Å; F92-L120 HydrophobicContact CZ-CD1 4.15Å; F92-T137 HydrophobicContact CE2-CG2 3.83Å; F92-T137 HydrophobicContact CZ-CG2 4.5Å; F92-F174 HydrophobicContact CZ-CE2 4.46Å; F92-F174 HydrophobicContact CZ-CZ 4.32Å
93	C	95.9	Very high	92.4	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63.1	-41.6	177.1	-65.4	0	0	0	0	111.3	C90 N95 N96 N97 E98 H106 C117	C90-C93 HydrophobicContact CB-CB 4.08Å; C90-C93 PolarHBondContact O-N 3.38Å; C90-C93 PolarHBondContact SG-SG 2.82Å; C93-N95 PolarHBondContact O-N 3.5Å; C93-N96 CarbonylContact O-C 3.41Å; C93-N96 PolarHBondContact O-N 2.9Å; C93-N96 VanDerWaalsContact O-N 3.12Å; C93-N97 PolarHBondContact O-N 3.09Å; C93-E98 HydrophobicContact CB-CB 3.94Å; C93-E98 HydrophobicContact CB-CG 3.79Å; C93-E98 WeakPolarHBondContact O-CB 3.29Å; C93-E98 WeakPolarHBondContact O-CG 3.5Å; C93-E98 PolarHBondContact O-N 2.95Å; C93-H106 PolarHBondContact SG-NE2 3.32Å; C93-H106 VanDerWaalsContact SG-NE2 3.36Å; C93-C117 PolarHBondContact SG-SG 3.25Å
94	R	93.5	Very high	92.8	Very high	44 Å²	44	66.7 Å²	66.7	17%	0.166	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-46.2	176.7	-174	-170.4	179.7	-160.5	9.4	112	E84 C90 F92 N96 N97 Y103	E84-R94 IonicContact OE2-CZ 2.92Å; E84-R94 IonicContact OE2-NE 2.76Å; E84-R94 PolarHBondContact OE2-NE 2.91Å; E84-R94 IonicContact OE2-NH1 2.93Å; E84-R94 IonicContact OE2-NH2 2.73Å; E84-R94 PolarHBondContact OE2-NH2 3.13Å; C90-R94 WeakPolarHBondContact O-CB 3.38Å; C90-R94 PolarHBondContact O-N 2.88Å; F92-R94 VanDerWaalsContact C-N 3.33Å; F92-R94 PolarHBondContact O-N 3.2Å; R94-N96 PolarHBondContact O-N 3.35Å; R94-N97 PolarHBondContact O-N 3.48Å; R94-Y103 HydrophobicContact CB-CD1 4.11Å; R94-Y103 HydrophobicContact CB-CD2 4.29Å; R94-Y103 HydrophobicContact CB-CG 3.91Å; R94-Y103 HydrophobicContact CG-CD1 4.3Å; R94-Y103 HydrophobicContact CG-CD2 4.48Å; R94-Y103 HydrophobicContact CG-CE1 4.4Å; R94-Y103 HydrophobicContact CG-CG 4.36Å
95	N	91.2	Very high	93.1	Very high	115 Å²	115	70.2 Å²	70.2	62%	0.615	38%	0.384	S	S	*	.	H	α-helix	trans	-67.2	-25.2	178.4	-80.4	33.4	0	0	0	113	V91 F92 C93 N97	V91-N95 VanDerWaalsContact O-CB 3.3Å; V91-N95 WeakPolarHBondContact O-CB 3.47Å; V91-N95 VanDerWaalsContact O-CG 3.31Å; V91-N95 PolarHBondContact O-N 3.17Å; V91-N95 PolarHBondContact O-OD1 3.43Å; V91-N95 VanDerWaalsContact O-OD1 3.13Å; F92-N95 PolarHBondContact O-N 3.23Å; C93-N95 PolarHBondContact O-N 3.5Å; N95-N97 PolarHBondContact O-N 2.96Å
96	N	91.9	Very high	93.6	Very high	67 Å²	67	68.4 Å²	68.4	36%	0.358	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	10	173.4	-67.8	-9.6	0	0	0	112.8	F92 C93 R94 E98	F92-N96 VanDerWaalsContact CE1-ND2 3.25Å; F92-N96 WeakPolarHBondContact CE1-ND2 3.03Å; F92-N96 WeakPolarHBondContact CZ-ND2 3.46Å; F92-N96 PolarHBondContact O-N 2.72Å; F92-N96 VanDerWaalsContact O-N 3.12Å; C93-N96 CarbonylContact O-C 3.41Å; C93-N96 PolarHBondContact O-N 2.9Å; C93-N96 VanDerWaalsContact O-N 3.12Å; R94-N96 PolarHBondContact O-N 3.35Å; N96-E98 HydrophobicContact CB-CG 4.43Å; N96-E98 PolarHBondContact O-N 2.92Å
97	N	91.5	Very high	94.1	Very high	146 Å²	146	65 Å²	65	78%	0.781	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	31.1	-177.9	-54.1	-46.8	0	0	0	113.8	C93 R94 N95	C93-N97 PolarHBondContact O-N 3.09Å; R94-N97 PolarHBondContact O-N 3.48Å; N95-N97 PolarHBondContact O-N 2.96Å
98	E	94.9	Very high	94.5	Very high	51 Å²	51	64 Å²	64	24%	0.238	34%	0.335	C	S	.	.			trans	-61.7	151.9	169.4	-65	-65.5	163	0	0	110.2	C93 N96 I102 Y103 I119	C93-E98 HydrophobicContact CB-CB 3.94Å; C93-E98 HydrophobicContact CB-CG 3.79Å; C93-E98 WeakPolarHBondContact O-CB 3.29Å; C93-E98 WeakPolarHBondContact O-CG 3.5Å; C93-E98 PolarHBondContact O-N 2.95Å; N96-E98 HydrophobicContact CB-CG 4.43Å; N96-E98 PolarHBondContact O-N 2.92Å; E98-I102 HydrophobicContact CB-CB 4.15Å; E98-I102 HydrophobicContact CB-CG2 4.1Å; E98-I102 HydrophobicContact CG-CG2 4.39Å; E98-Y103 WeakPolarHBondContact O-CD1 3.45Å; E98-Y103 WeakPolarHBondContact O-CE1 3.26Å; E98-I119 HydrophobicContact CG-CD1 3.74Å; E98-I119 VanDerWaalsContact OE1-CD1 3.32Å; E98-I119 WeakPolarHBondContact OE1-CD1 3.32Å
99	P	94.4	Very high	94.7	Very high	65 Å²	65	64.5 Å²	64.5	42%	0.422	33%	0.332	S	S	.	.			trans	-54.1	153.6	173.1	-25.3	32.7	0	0	0	112.9	E101 I102 Y103	P99-E101 VanDerWaalsContact CB-OE2 3.26Å; P99-E101 WeakPolarHBondContact CB-OE2 3.18Å; P99-E101 PolarHBondContact O-N 3.04Å; P99-I102 HydrophobicContact CB-CG1 4.35Å; P99-I102 HydrophobicContact CG-CD1 4.27Å; P99-I102 HydrophobicContact CG-CG1 4.45Å; P99-I102 WeakPolarHBondContact O-CB 3.39Å; P99-I102 PolarHBondContact O-N 3.34Å; P99-Y103 VanDerWaalsContact O-CD1 3.29Å; P99-Y103 WeakPolarHBondContact O-CD1 3.39Å; P99-Y103 PolarHBondContact O-N 3.12Å; P99-Y103 VanDerWaalsContact O-N 3.09Å
100	K	93.2	Very high	94.8	Very high	104 Å²	104	65 Å²	65	45%	0.452	34%	0.335	S	S	.	.	H	α-helix	trans	-54.1	-44.6	-178.5	-178	169.1	-178.5	-177.4	0	112.3	I102 Y103 T104	K100-I102 PolarHBondContact O-N 3.19Å; K100-Y103 HydrophobicContact CB-CE1 4.05Å; K100-Y103 HydrophobicContact CB-CE2 4.39Å; K100-Y103 VanDerWaalsContact CB-OH 3.27Å; K100-Y103 WeakPolarHBondContact CB-OH 3.3Å; K100-Y103 HydrophobicContact CG-CE2 4Å; K100-Y103 VanDerWaalsContact CG-OH 3.25Å; K100-Y103 WeakPolarHBondContact CG-OH 3.43Å; K100-Y103 PolarHBondContact O-N 3.46Å; K100-T104 HydrophobicContact CG-CG2 3.96Å; K100-T104 WeakPolarHBondContact O-CB 3.46Å; K100-T104 WeakPolarHBondContact O-CG2 3.35Å; K100-T104 PolarHBondContact O-N 3.27Å; K100-T104 PolarHBondContact O-OG1 2.62Å
101	E	94.2	Very high	94.7	Very high	137 Å²	137	75.4 Å²	75.4	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-56.5	-36.6	179.3	-56.9	69.4	-146	0	0	111.2	P99 S105	P99-E101 VanDerWaalsContact CB-OE2 3.26Å; P99-E101 WeakPolarHBondContact CB-OE2 3.18Å; P99-E101 PolarHBondContact O-N 3.04Å; E101-S105 WeakPolarHBondContact O-CB 3.29Å
102	I	95.2	Very high	94.9	Very high	64 Å²	64	78 Å²	78	33%	0.328	38%	0.379	S	S	.	.	H	α-helix	trans	-76.3	-53.9	179.4	-58.3	-167.2	0	0	0	110.5	E98 P99 K100 T104 S105 H106	E98-I102 HydrophobicContact CB-CB 4.15Å; E98-I102 HydrophobicContact CB-CG2 4.1Å; E98-I102 HydrophobicContact CG-CG2 4.39Å; P99-I102 HydrophobicContact CB-CG1 4.35Å; P99-I102 HydrophobicContact CG-CD1 4.27Å; P99-I102 HydrophobicContact CG-CG1 4.45Å; P99-I102 WeakPolarHBondContact O-CB 3.39Å; P99-I102 PolarHBondContact O-N 3.34Å; K100-I102 PolarHBondContact O-N 3.19Å; I102-T104 VanDerWaalsContact C-N 3.31Å; I102-T104 PolarHBondContact O-N 3.36Å; I102-S105 PolarHBondContact O-N 3.12Å; I102-S105 PolarHBondContact O-OG 3.17Å; I102-H106 PolarHBondContact O-CE1 3.28Å; I102-H106 VanDerWaalsContact O-CE1 3.28Å; I102-H106 PolarHBondContact O-ND1 3.36Å
103	Y	95.8	Very high	94.8	Very high	11 Å²	11	78.1 Å²	78.1	4%	0.043	39%	0.392	C	S	.	.	H	α-helix	trans	-72	-22.6	-175.4	67	-112	0	0	0	113.3	Q80 E84 L89 C90 R94 E98 P99 K100	Q80-Y103 PolarHBondContact NE2-OH 3.38Å; Q80-Y103 VanDerWaalsContact NE2-OH 3.11Å; E84-Y103 WeakPolarHBondContact OE1-CE2 2.99Å; E84-Y103 PolarHBondContact OE1-OH 3.06Å; L89-Y103 CarbonylContact C-O 3.55Å; L89-Y103 VanDerWaalsContact CA-O 3.29Å; L89-Y103 WeakPolarHBondContact CA-O 3.27Å; L89-Y103 HydrophobicContact CB-CD2 4.14Å; L89-Y103 WeakPolarHBondContact CB-O 3.45Å; C90-Y103 PolarHBondContact N-O 2.81Å; R94-Y103 HydrophobicContact CB-CD1 4.11Å; R94-Y103 HydrophobicContact CB-CD2 4.29Å; R94-Y103 HydrophobicContact CB-CG 3.91Å; R94-Y103 HydrophobicContact CG-CD1 4.3Å; R94-Y103 HydrophobicContact CG-CD2 4.48Å; R94-Y103 HydrophobicContact CG-CE1 4.4Å; R94-Y103 HydrophobicContact CG-CG 4.36Å; E98-Y103 WeakPolarHBondContact O-CD1 3.45Å; E98-Y103 WeakPolarHBondContact O-CE1 3.26Å; P99-Y103 VanDerWaalsContact O-CD1 3.29Å; P99-Y103 WeakPolarHBondContact O-CD1 3.39Å; P99-Y103 PolarHBondContact O-N 3.12Å; P99-Y103 VanDerWaalsContact O-N 3.09Å; K100-Y103 HydrophobicContact CB-CE1 4.05Å; K100-Y103 HydrophobicContact CB-CE2 4.39Å; K100-Y103 VanDerWaalsContact CB-OH 3.27Å; K100-Y103 WeakPolarHBondContact CB-OH 3.3Å; K100-Y103 HydrophobicContact CG-CE2 4Å; K100-Y103 VanDerWaalsContact CG-OH 3.25Å; K100-Y103 WeakPolarHBondContact CG-OH 3.43Å; K100-Y103 PolarHBondContact O-N 3.46Å
104	T	94.8	Very high	94.9	Very high	46 Å²	46	83.7 Å²	83.7	28%	0.282	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.1	174.5	63.3	0	0	0	0	113.7	V87 L89 K100 I102	V87-T104 HydrophobicContact CG1-CG2 3.73Å; L89-T104 HydrophobicContact CB-CG2 4.49Å; K100-T104 HydrophobicContact CG-CG2 3.96Å; K100-T104 WeakPolarHBondContact O-CB 3.46Å; K100-T104 WeakPolarHBondContact O-CG2 3.35Å; K100-T104 PolarHBondContact O-N 3.27Å; K100-T104 PolarHBondContact O-OG1 2.62Å; I102-T104 VanDerWaalsContact C-N 3.31Å; I102-T104 PolarHBondContact O-N 3.36Å
105	S	95.9	Very high	95.1	Very high	83 Å²	83	81.7 Å²	81.7	58%	0.58	41%	0.405	S	S	*	.	S	Bend	trans	-80.1	-15.8	-177.5	65.4	0	0	0	0	114.6	E101 I102	E101-S105 WeakPolarHBondContact O-CB 3.29Å; I102-S105 PolarHBondContact O-N 3.12Å; I102-S105 PolarHBondContact O-OG 3.17Å
106	H	96.1	Very high	95.4	Very high	32 Å²	32	78.8 Å²	78.8	15%	0.148	39%	0.392	C	S	.	.			trans	-158.3	168.1	-174.5	59.3	-80.5	0	0	0	111.7	L89 C90 C93 I102 C117 P118	L89-H106 CarbonylContact C-O 3.48Å; C90-H106 WeakPolarHBondContact CA-O 2.98Å; C90-H106 VanDerWaalsContact CB-CD2 3.48Å; C90-H106 WeakPolarHBondContact CB-CD2 3.32Å; C90-H106 VanDerWaalsContact CB-NE2 3.32Å; C90-H106 WeakPolarHBondContact CB-NE2 3.48Å; C90-H106 VanDerWaalsContact CB-O 3.27Å; C90-H106 WeakPolarHBondContact CB-O 3.33Å; C90-H106 PolarHBondContact N-O 2.76Å; C90-H106 VanDerWaalsContact SG-CD2 3.6Å; C90-H106 PolarHBondContact SG-NE2 2.76Å; C93-H106 PolarHBondContact SG-NE2 3.32Å; C93-H106 VanDerWaalsContact SG-NE2 3.36Å; I102-H106 PolarHBondContact O-CE1 3.28Å; I102-H106 VanDerWaalsContact O-CE1 3.28Å; I102-H106 PolarHBondContact O-ND1 3.36Å; H106-C117 VanDerWaalsContact CD2-CA 3.49Å; H106-C117 WeakPolarHBondContact CD2-CA 3.45Å; H106-P118 WeakPolarHBondContact NE2-CD 3.49Å
107	K	96.6	Very high	95.7	Very high	92 Å²	92	75.6 Å²	75.6	40%	0.4	37%	0.374	S	S	.	.			trans	-96.3	162.7	168	-64.6	-176.2	-179.2	-173.9	0	110.7	D88 K109 T116	D88-K107 VanDerWaalsContact CB-CE 3.49Å; D88-K107 WeakPolarHBondContact OD1-CE 3.27Å; D88-K107 IonicContact OD1-NZ 2.82Å; D88-K107 PolarHBondContact OD1-NZ 3.24Å; D88-K107 WeakPolarHBondContact OD2-CE 3.27Å; D88-K107 IonicContact OD2-NZ 3.75Å; D88-K107 PolarHBondContact OD2-NZ 3.3Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 WeakPolarHBondContact CB-O 3.44Å; K107-T116 PolarHBondContact O-OG1 2.65Å
108	V	96.5	Very high	95.9	Very high	39 Å²	39	71.8 Å²	71.8	24%	0.236	36%	0.358	C	S	.	.	S	Bend	trans	-62.5	-44.7	173.6	-175.6	0	0	0	0	110.8	V91 F92 V115 T116 C117 L120	V91-V108 HydrophobicContact CB-CG2 4.34Å; F92-V108 HydrophobicContact CB-CG1 4.46Å; F92-V108 HydrophobicContact CB-CG2 4.04Å; V108-V115 WeakPolarHBondContact O-CA 3.37Å; V108-T116 PolarHBondContact O-N 3.36Å; V108-T116 PolarHBondContact O-OG1 3.5Å; V108-C117 PolarHBondContact O-N 3.06Å; V108-L120 HydrophobicContact CG1-CD2 4.27Å
109	K	96.5	Very high	96	Very high	117 Å²	117	70.5 Å²	70.5	51%	0.509	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-133.4	153.8	178.8	-65.3	-179	175.4	-171.3	0	110.9	K107 R114 V115 T116	K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 WeakPolarHBondContact CB-O 3.44Å; K109-R114 CarbonylContact C-O 3.53Å; K109-R114 WeakPolarHBondContact CA-O 3.44Å; K109-V115 HydrophobicContact CG-CG2 4.32Å; K109-T116 PolarHBondContact N-OG1 3.47Å
110	D	96.2	Very high	96.1	Very high	37 Å²	37	67.9 Å²	67.9	20%	0.198	34%	0.335	C	S	.	.			trans	-83.3	179.9	169	69.8	13.1	0	0	0	112.7	F112 G113 R114 T116	D110-F112 PolarHBondContact O-N 3.07Å; D110-F112 WeakPolarHBondContact OD1-CA 3.35Å; D110-F112 WeakPolarHBondContact OD1-CB 3.17Å; D110-F112 PolarHBondContact OD1-N 2.95Å; D110-G113 PolarHBondContact O-N 2.93Å; D110-G113 PolarHBondContact OD1-N 2.78Å; D110-G113 VanDerWaalsContact OD1-N 3.07Å; D110-R114 PolarHBondContact N-O 2.91Å; D110-R114 PolarHBondContact OD1-N 2.71Å; D110-R114 IonicContact OD1-NE 3.85Å; D110-R114 IonicContact OD2-CZ 3.17Å; D110-R114 IonicContact OD2-NE 2.78Å; D110-R114 PolarHBondContact OD2-NE 3.02Å; D110-R114 IonicContact OD2-NH2 2.71Å; D110-R114 PolarHBondContact OD2-NH2 2.89Å; D110-T116 HydrophobicContact CB-CG2 3.77Å
111	R	95.8	Very high	96.3	Very high	219 Å²	219	66.5 Å²	66.5	83%	0.826	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.8	177.2	67.4	179	179.2	-91.5	1.7	114.7
112	F	96.8	Very high	96.4	Very high	131 Å²	131	66.6 Å²	66.6	58%	0.575	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	3.6	177.4	-56.5	-70.9	0	0	0	112	D110 R114	D110-F112 PolarHBondContact O-N 3.07Å; D110-F112 WeakPolarHBondContact OD1-CA 3.35Å; D110-F112 WeakPolarHBondContact OD1-CB 3.17Å; D110-F112 PolarHBondContact OD1-N 2.95Å; F112-R114 VanDerWaalsContact C-N 3.3Å; F112-R114 HydrophobicContact CB-CG 4.39Å; F112-R114 PolarHBondContact O-N 3.26Å
113	G	95	Very high	96.3	Very high	41 Å²	41	64.6 Å²	64.6	42%	0.423	31%	0.314	S	S	.	.	S	Bend	trans	79.6	7.1	180	0	0	0	0	0	114.6	D110	D110-G113 PolarHBondContact O-N 2.93Å; D110-G113 PolarHBondContact OD1-N 2.78Å; D110-G113 VanDerWaalsContact OD1-N 3.07Å
114	R	96.9	Very high	96.3	Very high	116 Å²	116	67.6 Å²	67.6	44%	0.438	33%	0.334	S	S	.	.			trans	-79.5	137.6	177.8	-57.4	177.1	-62.7	-178.1	3.1	109.5	K109 D110 F112 T116 D133	K109-R114 CarbonylContact C-O 3.53Å; K109-R114 WeakPolarHBondContact CA-O 3.44Å; D110-R114 PolarHBondContact N-O 2.91Å; D110-R114 PolarHBondContact OD1-N 2.71Å; D110-R114 IonicContact OD1-NE 3.85Å; D110-R114 IonicContact OD2-CZ 3.17Å; D110-R114 IonicContact OD2-NE 2.78Å; D110-R114 PolarHBondContact OD2-NE 3.02Å; D110-R114 IonicContact OD2-NH2 2.71Å; D110-R114 PolarHBondContact OD2-NH2 2.89Å; F112-R114 VanDerWaalsContact C-N 3.3Å; F112-R114 HydrophobicContact CB-CG 4.39Å; F112-R114 PolarHBondContact O-N 3.26Å; R114-T116 PolarHBondContact O-N 3.5Å; R114-D133 HydrophobicContact CB-CB 4.21Å; R114-D133 HydrophobicContact CG-CB 4.39Å
115	V	97.6	Very high	96.3	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.012	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-66.5	120.6	176.5	179.2	0	0	0	0	110.6	V108 K109 C117 L120 R121 D133 A135	V108-V115 WeakPolarHBondContact O-CA 3.37Å; K109-V115 HydrophobicContact CG-CG2 4.32Å; V115-C117 HydrophobicContact CG1-CB 4.31Å; V115-L120 HydrophobicContact CG1-CB 3.98Å; V115-L120 HydrophobicContact CG1-CD2 3.79Å; V115-L120 HydrophobicContact CG1-CG 3.93Å; V115-L120 HydrophobicContact CG2-CD2 4.32Å; V115-R121 HydrophobicContact CB-CG 4.4Å; V115-R121 HydrophobicContact CG1-CG 3.92Å; V115-R121 WeakPolarHBondContact O-CD 3.08Å; V115-R121 PolarHBondContact O-NH1 3.43Å; V115-D133 PolarHBondContact N-O 2.64Å; V115-A135 HydrophobicContact CG2-CB 4.48Å; V115-A135 VanDerWaalsContact CG2-O 3.28Å; V115-A135 WeakPolarHBondContact CG2-O 3.4Å
116	T	97.5	Very high	96.2	Very high	54 Å²	54	64.7 Å²	64.7	33%	0.331	31%	0.313	S	S	.	.			trans	-101.3	-17.7	177.2	42.4	0	0	0	0	113	K107 V108 K109 D110 R114 P118	K107-T116 PolarHBondContact O-OG1 2.65Å; V108-T116 PolarHBondContact O-N 3.36Å; V108-T116 PolarHBondContact O-OG1 3.5Å; K109-T116 PolarHBondContact N-OG1 3.47Å; D110-T116 HydrophobicContact CB-CG2 3.77Å; R114-T116 PolarHBondContact O-N 3.5Å; T116-P118 WeakPolarHBondContact O-CD 3.25Å
117	C	97.9	Very high	96.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.319	C	S	.	.			trans	-63.3	117.6	178.1	175.2	0	0	0	0	112.3	C93 H106 V108 V115 I119 L120 R121	C93-C117 PolarHBondContact SG-SG 3.25Å; H106-C117 VanDerWaalsContact CD2-CA 3.49Å; H106-C117 WeakPolarHBondContact CD2-CA 3.45Å; V108-C117 PolarHBondContact O-N 3.06Å; V115-C117 HydrophobicContact CG1-CB 4.31Å; C117-I119 VanDerWaalsContact C-N 3.28Å; C117-I119 PolarHBondContact O-N 2.93Å; C117-L120 HydrophobicContact CB-CB 3.99Å; C117-L120 PolarHBondContact O-N 3.39Å; C117-L120 PolarHBondContact SG-N 3.45Å; C117-R121 WeakPolarHBondContact O-CB 3.44Å; C117-R121 WeakPolarHBondContact O-CG 3.44Å; C117-R121 PolarHBondContact O-N 3.32Å
118	P	97	Very high	96	Very high	67 Å²	67	63.2 Å²	63.2	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-32.3	-177	25.9	-33.1	0	0	0	112.5	H106 T116 K122	H106-P118 WeakPolarHBondContact NE2-CD 3.49Å; T116-P118 WeakPolarHBondContact O-CD 3.25Å; P118-K122 WeakPolarHBondContact O-CG 3.17Å
119	I	96	Very high	96	Very high	23 Å²	23	63.6 Å²	63.6	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-53.8	176.3	-54.7	-174.5	0	0	0	109.8	F92 E98 C117 R121 K122 F174	F92-I119 HydrophobicContact CE1-CB 4.16Å; F92-I119 HydrophobicContact CE1-CG2 3.81Å; E98-I119 HydrophobicContact CG-CD1 3.74Å; E98-I119 VanDerWaalsContact OE1-CD1 3.32Å; E98-I119 WeakPolarHBondContact OE1-CD1 3.32Å; C117-I119 VanDerWaalsContact C-N 3.28Å; C117-I119 PolarHBondContact O-N 2.93Å; I119-R121 VanDerWaalsContact C-N 3.3Å; I119-R121 PolarHBondContact O-N 3Å; I119-K122 PolarHBondContact O-N 3.01Å; I119-F174 HydrophobicContact CG2-CD1 3.53Å; I119-F174 HydrophobicContact CG2-CD2 4.32Å; I119-F174 HydrophobicContact CG2-CE1 3.35Å; I119-F174 HydrophobicContact CG2-CE2 4.15Å; I119-F174 HydrophobicContact CG2-CG 4.03Å; I119-F174 HydrophobicContact CG2-CZ 3.68Å; I119-F174 WeakPolarHBondContact O-CE1 3.24Å
120	L	96.3	Very high	96	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.052	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-34.2	-179.6	-175.4	57.8	0	0	0	112.3	F92 V108 V115 C117 K122 F123 A135 T137	F92-L120 HydrophobicContact CD1-CB 4.16Å; F92-L120 HydrophobicContact CE1-CB 4.07Å; F92-L120 HydrophobicContact CE2-CD1 4.2Å; F92-L120 HydrophobicContact CZ-CB 4.46Å; F92-L120 HydrophobicContact CZ-CD1 4.15Å; V108-L120 HydrophobicContact CG1-CD2 4.27Å; V115-L120 HydrophobicContact CG1-CB 3.98Å; V115-L120 HydrophobicContact CG1-CD2 3.79Å; V115-L120 HydrophobicContact CG1-CG 3.93Å; V115-L120 HydrophobicContact CG2-CD2 4.32Å; C117-L120 HydrophobicContact CB-CB 3.99Å; C117-L120 PolarHBondContact O-N 3.39Å; C117-L120 PolarHBondContact SG-N 3.45Å; L120-K122 PolarHBondContact O-N 3.32Å; L120-F123 HydrophobicContact CD1-CB 4.36Å; L120-F123 VanDerWaalsContact O-CB 3.31Å; L120-F123 WeakPolarHBondContact O-CB 3.4Å; L120-F123 PolarHBondContact O-N 3.43Å; L120-A135 HydrophobicContact CG-CB 4.1Å; L120-A135 WeakPolarHBondContact O-CB 3.2Å; L120-T137 HydrophobicContact CD1-CG2 4.21Å
121	R	97.6	Very high	96	Very high	76 Å²	76	59 Å²	59	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-26.2	177.5	-75.2	176.8	74.9	73.3	1	114.1	V115 C117 I119 F123 T131 K132 D133	V115-R121 HydrophobicContact CB-CG 4.4Å; V115-R121 HydrophobicContact CG1-CG 3.92Å; V115-R121 WeakPolarHBondContact O-CD 3.08Å; V115-R121 PolarHBondContact O-NH1 3.43Å; C117-R121 WeakPolarHBondContact O-CB 3.44Å; C117-R121 WeakPolarHBondContact O-CG 3.44Å; C117-R121 PolarHBondContact O-N 3.32Å; I119-R121 VanDerWaalsContact C-N 3.3Å; I119-R121 PolarHBondContact O-N 3Å; R121-F123 VanDerWaalsContact C-N 3.27Å; R121-T131 PolarHBondContact O-OG1 3.29Å; R121-K132 PolarHBondContact O-N 2.98Å; R121-D133 IonicContact CZ-OD1 3.2Å; R121-D133 IonicContact NH1-OD1 2.64Å; R121-D133 PolarHBondContact NH1-OD1 2.74Å; R121-D133 IonicContact NH2-OD1 2.82Å; R121-D133 PolarHBondContact NH2-OD1 3.2Å
122	K	95.8	Very high	96.1	Very high	138 Å²	138	54.9 Å²	54.9	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-74.4	-20.1	174.5	-67	176.7	-176.9	-177.6	0	112.2	P118 I119 L120	P118-K122 WeakPolarHBondContact O-CG 3.17Å; I119-K122 PolarHBondContact O-N 3.01Å; L120-K122 PolarHBondContact O-N 3.32Å
123	F	93.5	Very high	96.1	Very high	23 Å²	23	52 Å²	52	10%	0.101	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-78.5	124.7	-178.6	-173.1	-102.4	0	0	0	111.2	L120 R121 C125 T131 H136 I138 I172	L120-F123 HydrophobicContact CD1-CB 4.36Å; L120-F123 VanDerWaalsContact O-CB 3.31Å; L120-F123 WeakPolarHBondContact O-CB 3.4Å; L120-F123 PolarHBondContact O-N 3.43Å; R121-F123 VanDerWaalsContact C-N 3.27Å; F123-C125 HydrophobicContact CE1-CB 4.41Å; F123-T131 PolarHBondContact O-OG1 3.06Å; F123-H136 WeakPolarHBondContact CD1-O 3.44Å; F123-H136 WeakPolarHBondContact CE1-O 3.34Å; F123-I138 HydrophobicContact CE1-CG1 4.44Å; F123-I138 HydrophobicContact CZ-CD1 4.45Å; F123-I138 HydrophobicContact CZ-CG1 4.04Å; F123-I172 HydrophobicContact CD2-CD1 3.8Å; F123-I172 HydrophobicContact CE2-CD1 3.32Å; F123-I172 HydrophobicContact CE2-CG1 4Å; F123-I172 HydrophobicContact CZ-CD1 4.07Å
124	T	96.1	Very high	96.2	Very high	74 Å²	74	59.3 Å²	59.3	45%	0.454	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-103.2	119.2	170.6	-61	0	0	0	0	108.3	P126 A130 T131	T124-P126 WeakPolarHBondContact O-CD 3.1Å; T124-A130 WeakPolarHBondContact CA-O 3.43Å; T124-T131 WeakPolarHBondContact OG1-CB 3.5Å; T124-T131 PolarHBondContact OG1-OG1 3.25Å
125	C	95.2	Very high	96.2	Very high	1 Å²	1	54 Å²	54	1%	0.007	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-61.8	120.9	179.9	178.6	0	0	0	0	110.3	F123 L127 C128 G129 A130 H136 C141	F123-C125 HydrophobicContact CE1-CB 4.41Å; C125-L127 PolarHBondContact O-N 2.9Å; C125-C128 PolarHBondContact O-N 3.17Å; C125-C128 VanDerWaalsContact SG-SG 3.65Å; C125-G129 VanDerWaalsContact O-CA 3.24Å; C125-G129 WeakPolarHBondContact O-CA 3.25Å; C125-G129 PolarHBondContact O-N 3.46Å; C125-A130 PolarHBondContact N-O 3.41Å; C125-H136 PolarHBondContact SG-NE2 3.21Å; C125-H136 VanDerWaalsContact SG-NE2 3.4Å; C125-C141 VanDerWaalsContact SG-SG 3.67Å
126	P	93.6	Very high	96.1	Very high	66 Å²	66	55.1 Å²	55.1	43%	0.429	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.9	-179.5	25.8	-34.8	0	0	0	113.4	T124 I138 L169	T124-P126 WeakPolarHBondContact O-CD 3.1Å; P126-I138 HydrophobicContact CG-CD1 3.53Å; P126-I138 HydrophobicContact CG-CG1 3.8Å; P126-L169 HydrophobicContact CB-CD2 4.33Å; P126-L169 HydrophobicContact CG-CD2 3.93Å
127	L	93.2	Very high	95.9	Very high	52 Å²	52	54.2 Å²	54.2	27%	0.272	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-38.5	179.8	-67.1	178.5	0	0	0	113.3	C125 I138 C141 K143 L144 M163	C125-L127 PolarHBondContact O-N 2.9Å; L127-I138 HydrophobicContact CD1-CG2 3.72Å; L127-I138 HydrophobicContact CG-CG2 4.32Å; L127-C141 HydrophobicContact CD1-CB 4.05Å; L127-K143 WeakPolarHBondContact O-CD 3.35Å; L127-K143 PolarHBondContact O-NZ 3.17Å; L127-L144 HydrophobicContact CD1-CB 4.07Å; L127-M163 HydrophobicContact CD2-CG 4.33Å; L127-M163 HydrophobicContact CD2-SD 3.36Å; L127-M163 WeakPolarHBondContact CD2-SD 3.28Å; L127-M163 HydrophobicContact CG-SD 4.03Å
128	C	95.5	Very high	95.6	Very high	42 Å²	42	55.2 Å²	55.2	28%	0.284	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-7.3	-172.2	76.6	0	0	0	0	115.4	C125 A130 H136 K143	C125-C128 PolarHBondContact O-N 3.17Å; C125-C128 VanDerWaalsContact SG-SG 3.65Å; C128-A130 PolarHBondContact O-N 3.04Å; C128-A130 WeakPolarHBondContact SG-CB 3.15Å; C128-A130 PolarHBondContact SG-N 3.02Å; C128-H136 PolarHBondContact SG-CE1 3.02Å; C128-H136 PolarHBondContact SG-NE2 3.36Å; C128-K143 HydrophobicContact CB-CD 3.69Å; C128-K143 HydrophobicContact CB-CG 3.95Å
129	G	95.5	Very high	95.3	Very high	46 Å²	46	58.9 Å²	58.9	47%	0.474	29%	0.294	S	S	.	.			trans	73.5	3.7	-178.2	0	0	0	0	0	114.9	C125	C125-G129 VanDerWaalsContact O-CA 3.24Å; C125-G129 WeakPolarHBondContact O-CA 3.25Å; C125-G129 PolarHBondContact O-N 3.46Å
130	A	96.7	Very high	95	Very high	12 Å²	12	64.7 Å²	64.7	10%	0.099	32%	0.315	C	S	.	.			trans	-68.2	137.7	-179.7	0	0	0	0	0	111.8	T124 C125 C128 R134 H136	T124-A130 WeakPolarHBondContact CA-O 3.43Å; C125-A130 PolarHBondContact N-O 3.41Å; C128-A130 PolarHBondContact O-N 3.04Å; C128-A130 WeakPolarHBondContact SG-CB 3.15Å; C128-A130 PolarHBondContact SG-N 3.02Å; A130-R134 HydrophobicContact CB-CB 4.18Å; A130-R134 WeakPolarHBondContact CB-O 3.38Å; A130-H136 VanDerWaalsContact CB-CE1 3.47Å; A130-H136 WeakPolarHBondContact CB-CE1 3.31Å
131	T	97	Very high	94.9	Very high	46 Å²	46	64.2 Å²	64.2	28%	0.282	31%	0.313	S	S	.	.			trans	-149.6	177.7	-177.9	-173.1	0	0	0	0	110.1	R121 F123 T124 D133 R134 A135	R121-T131 PolarHBondContact O-OG1 3.29Å; F123-T131 PolarHBondContact O-OG1 3.06Å; T124-T131 WeakPolarHBondContact OG1-CB 3.5Å; T124-T131 PolarHBondContact OG1-OG1 3.25Å; T131-D133 PolarHBondContact O-N 2.82Å; T131-R134 PolarHBondContact O-N 3.34Å; T131-R134 VanDerWaalsContact O-N 3.14Å; T131-A135 PolarHBondContact O-N 3.03Å
132	K	97.1	Very high	94.7	Very high	133 Å²	133	64 Å²	64	58%	0.578	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	52.8	-122.1	178.8	-60.8	177.7	-176.4	179.8	0	111.8	R121 R134 A135	R121-K132 PolarHBondContact O-N 2.98Å; K132-R134 PolarHBondContact O-N 2.91Å; K132-A135 VanDerWaalsContact O-CB 3.25Å; K132-A135 WeakPolarHBondContact O-CB 3.44Å; K132-A135 PolarHBondContact O-N 3.46Å
133	D	97.7	Very high	94.4	Very high	71 Å²	71	63 Å²	63	38%	0.38	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-58.7	-24.1	-176.5	-65.9	14.7	0	0	0	113	R114 V115 R121 T131	R114-D133 HydrophobicContact CB-CB 4.21Å; R114-D133 HydrophobicContact CG-CB 4.39Å; V115-D133 PolarHBondContact N-O 2.64Å; R121-D133 IonicContact CZ-OD1 3.2Å; R121-D133 IonicContact NH1-OD1 2.64Å; R121-D133 PolarHBondContact NH1-OD1 2.74Å; R121-D133 IonicContact NH2-OD1 2.82Å; R121-D133 PolarHBondContact NH2-OD1 3.2Å; T131-D133 PolarHBondContact O-N 2.82Å
134	R	96.9	Very high	94.1	Very high	193 Å²	193	62.7 Å²	62.7	73%	0.728	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-107.9	8.5	-178.5	-59.7	-172.2	-67.7	167.7	-1.7	113.3	A130 T131 K132 H136	A130-R134 HydrophobicContact CB-CB 4.18Å; A130-R134 WeakPolarHBondContact CB-O 3.38Å; T131-R134 PolarHBondContact O-N 3.34Å; T131-R134 VanDerWaalsContact O-N 3.14Å; K132-R134 PolarHBondContact O-N 2.91Å; R134-H136 PolarHBondContact O-ND1 2.8Å
135	A	97.1	Very high	93.3	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.033	31%	0.314	C	S	.	.			trans	-59.1	146.5	-178.2	0	0	0	0	0	112	V115 L120 T131 K132	V115-A135 HydrophobicContact CG2-CB 4.48Å; V115-A135 VanDerWaalsContact CG2-O 3.28Å; V115-A135 WeakPolarHBondContact CG2-O 3.4Å; L120-A135 HydrophobicContact CG-CB 4.1Å; L120-A135 WeakPolarHBondContact O-CB 3.2Å; T131-A135 PolarHBondContact O-N 3.03Å; K132-A135 VanDerWaalsContact O-CB 3.25Å; K132-A135 WeakPolarHBondContact O-CB 3.44Å; K132-A135 PolarHBondContact O-N 3.46Å
136	H	95	Very high	92.5	Very high	26 Å²	26	68.6 Å²	68.6	12%	0.12	34%	0.343	C	S	.	.			trans	-162.9	151.5	176.1	52.4	-94.6	0	0	0	108.9	F123 C125 C128 A130 R134 C141	F123-H136 WeakPolarHBondContact CD1-O 3.44Å; F123-H136 WeakPolarHBondContact CE1-O 3.34Å; C125-H136 PolarHBondContact SG-NE2 3.21Å; C125-H136 VanDerWaalsContact SG-NE2 3.4Å; C128-H136 PolarHBondContact SG-CE1 3.02Å; C128-H136 PolarHBondContact SG-NE2 3.36Å; A130-H136 VanDerWaalsContact CB-CE1 3.47Å; A130-H136 WeakPolarHBondContact CB-CE1 3.31Å; R134-H136 PolarHBondContact O-ND1 2.8Å; H136-C141 WeakPolarHBondContact CD2-CA 3.26Å; H136-C141 WeakPolarHBondContact NE2-CA 3.46Å
137	T	93.6	Very high	91.3	Very high	36 Å²	36	70 Å²	70	22%	0.221	35%	0.35	C	S	.	.			trans	-72	161	170.7	69.4	0	0	0	0	110.5	F92 L120 R139 Y140 C141	F92-T137 HydrophobicContact CE2-CG2 3.83Å; F92-T137 HydrophobicContact CZ-CG2 4.5Å; L120-T137 HydrophobicContact CD1-CG2 4.21Å; T137-R139 PolarHBondContact O-N 3.08Å; T137-R139 VanDerWaalsContact O-N 3.17Å; T137-Y140 CarbonylContact O-C 3.59Å; T137-Y140 PolarHBondContact O-N 3.31Å; T137-Y140 VanDerWaalsContact OG1-CD2 3.27Å; T137-Y140 WeakPolarHBondContact OG1-CD2 3.39Å; T137-C141 PolarHBondContact O-N 3.33Å
138	I	91.8	Very high	89.7	Confident	20 Å²	20	70.5 Å²	70.5	10%	0.103	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.6	-174.2	-61	173.2	0	0	0	112.5	F123 P126 L127 Y140 C141 L144 C161 L169	F123-I138 HydrophobicContact CE1-CG1 4.44Å; F123-I138 HydrophobicContact CZ-CD1 4.45Å; F123-I138 HydrophobicContact CZ-CG1 4.04Å; P126-I138 HydrophobicContact CG-CD1 3.53Å; P126-I138 HydrophobicContact CG-CG1 3.8Å; L127-I138 HydrophobicContact CD1-CG2 3.72Å; L127-I138 HydrophobicContact CG-CG2 4.32Å; I138-Y140 PolarHBondContact O-N 3.32Å; I138-Y140 VanDerWaalsContact O-N 3.17Å; I138-C141 WeakPolarHBondContact O-CB 3.47Å; I138-C141 PolarHBondContact O-N 3.43Å; I138-L144 WeakPolarHBondContact O-CD2 3.43Å; I138-C161 HydrophobicContact CG2-CB 4.21Å; I138-C161 WeakPolarHBondContact CG2-SG 3.18Å; I138-L169 HydrophobicContact CD1-CD1 3.16Å; I138-L169 HydrophobicContact CD1-CD2 4.24Å; I138-L169 HydrophobicContact CD1-CG 4.3Å
139	R	90.1	Very high	87.9	Confident	145 Å²	145	76.1 Å²	76.1	55%	0.547	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-56.4	-30.5	176.6	-178.4	176.5	176.2	-177.1	-0.4	113.3	T137	T137-R139 PolarHBondContact O-N 3.08Å; T137-R139 VanDerWaalsContact O-N 3.17Å
140	Y	90.6	Very high	86.1	Confident	145 Å²	145	81.3 Å²	81.3	57%	0.569	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-103.1	15.1	-179.4	-59.5	-71.8	0	0	0	112.6	T137 I138 P142	T137-Y140 CarbonylContact O-C 3.59Å; T137-Y140 PolarHBondContact O-N 3.31Å; T137-Y140 VanDerWaalsContact OG1-CD2 3.27Å; T137-Y140 WeakPolarHBondContact OG1-CD2 3.39Å; I138-Y140 PolarHBondContact O-N 3.32Å; I138-Y140 VanDerWaalsContact O-N 3.17Å; Y140-P142 WeakPolarHBondContact O-CD 3.36Å
141	C	93.7	Very high	84	Confident	0 Å²	0	90.8 Å²	90.8	0%	0	43%	0.425	C	S	.	.			trans	-69.4	124.3	177.7	-178.5	0	0	0	0	111.3	C125 L127 H136 T137 I138 K143 L144 L145	C125-C141 VanDerWaalsContact SG-SG 3.67Å; L127-C141 HydrophobicContact CD1-CB 4.05Å; H136-C141 WeakPolarHBondContact CD2-CA 3.26Å; H136-C141 WeakPolarHBondContact NE2-CA 3.46Å; T137-C141 PolarHBondContact O-N 3.33Å; I138-C141 WeakPolarHBondContact O-CB 3.47Å; I138-C141 PolarHBondContact O-N 3.43Å; C141-K143 PolarHBondContact O-N 3.39Å; C141-L144 HydrophobicContact CB-CB 4.13Å; C141-L144 WeakPolarHBondContact O-CB 3.48Å; C141-L144 PolarHBondContact O-N 2.97Å; C141-L145 PolarHBondContact O-N 3.15Å; C141-L145 VanDerWaalsContact O-N 3.15Å
142	P	92.5	Very high	81.6	Confident	70 Å²	70	96.4 Å²	96.4	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-56	-36.7	176.6	-26.7	35.2	0	0	0	112.9	Y140 L144 L145 I146	Y140-P142 WeakPolarHBondContact O-CD 3.36Å; P142-L144 VanDerWaalsContact C-N 3.29Å; P142-L144 PolarHBondContact O-N 3.27Å; P142-L145 PolarHBondContact O-N 3.38Å; P142-I146 WeakPolarHBondContact O-CD1 3.32Å; P142-I146 WeakPolarHBondContact O-CG1 3.43Å; P142-I146 PolarHBondContact O-N 2.96Å
143	K	90	Very high	79.1	Confident	119 Å²	119	93.4 Å²	93.4	52%	0.517	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-35.6	176.1	-67.7	-170.2	-178.7	179.7	0	112.5	L127 C128 C141 T147	L127-K143 WeakPolarHBondContact O-CD 3.35Å; L127-K143 PolarHBondContact O-NZ 3.17Å; C128-K143 HydrophobicContact CB-CD 3.69Å; C128-K143 HydrophobicContact CB-CG 3.95Å; C141-K143 PolarHBondContact O-N 3.39Å; K143-T147 PolarHBondContact O-N 3.21Å; K143-T147 PolarHBondContact O-OG1 2.93Å
144	L	86.6	Confident	76.3	Confident	16 Å²	16	97.9 Å²	97.9	8%	0.084	48%	0.484	C	S	.	.	H	α-helix	trans	-70.2	-41.9	177	-175.1	66.7	0	0	0	111.1	L127 I138 C141 P142 T147 N148 C161	L127-L144 HydrophobicContact CD1-CB 4.07Å; I138-L144 WeakPolarHBondContact O-CD2 3.43Å; C141-L144 HydrophobicContact CB-CB 4.13Å; C141-L144 WeakPolarHBondContact O-CB 3.48Å; C141-L144 PolarHBondContact O-N 2.97Å; P142-L144 VanDerWaalsContact C-N 3.29Å; P142-L144 PolarHBondContact O-N 3.27Å; L144-T147 PolarHBondContact O-N 2.94Å; L144-N148 PolarHBondContact O-N 3.48Å; L144-C161 HydrophobicContact CD2-CB 4.5Å
145	L	80.3	Confident	74	Confident	78 Å²	78	94.1 Å²	94.1	41%	0.408	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-38.4	-179.6	-62.5	175.5	0	0	0	112.3	C141 P142 N148 H149	C141-L145 PolarHBondContact O-N 3.15Å; C141-L145 VanDerWaalsContact O-N 3.15Å; P142-L145 PolarHBondContact O-N 3.38Å; L145-N148 PolarHBondContact O-N 3.35Å; L145-H149 PolarHBondContact O-N 3.32Å; L145-H149 VanDerWaalsContact O-N 3.08Å
146	I	78.5	Confident	71.8	Confident	120 Å²	120	100.7 Å²	100.7	62%	0.615	53%	0.533	S	S	*	.	H	α-helix	trans	-64.2	-42.7	177.2	-66.8	161.2	0	0	0	110.9	P142 N148 H149	P142-I146 WeakPolarHBondContact O-CD1 3.32Å; P142-I146 WeakPolarHBondContact O-CG1 3.43Å; P142-I146 PolarHBondContact O-N 2.96Å; I146-N148 PolarHBondContact O-N 2.97Å; I146-H149 PolarHBondContact O-N 3.4Å
147	T	68.6	Low	69.4	Low	95 Å²	95	102.2 Å²	102.2	58%	0.583	56%	0.556	S	S	*	*	H	α-helix	trans	-62.5	-32.7	178.7	-50.8	0	0	0	0	112.4	K143 L144	K143-T147 PolarHBondContact O-N 3.21Å; K143-T147 PolarHBondContact O-OG1 2.93Å; L144-T147 PolarHBondContact O-N 2.94Å
148	N	58.9	Low	67.2	Low	64 Å²	64	103.1 Å²	103.1	34%	0.342	57%	0.572	S	S	.	*	H	α-helix	trans	-82.4	-30.5	179.8	-76	-21.4	0	0	0	113.6	L144 L145 I146 N150 R151	L144-N148 PolarHBondContact O-N 3.48Å; L145-N148 PolarHBondContact O-N 3.35Å; I146-N148 PolarHBondContact O-N 2.97Å; N148-N150 PolarHBondContact O-N 3.32Å; N148-R151 PolarHBondContact O-N 3.49Å
149	H	58.6	Low	65.2	Low	160 Å²	160	104.6 Å²	104.6	74%	0.741	58%	0.583	S	S	*	*	H	α-helix	trans	-65.4	-18.6	175.6	-94.4	-64.6	0	0	0	113.8	L145 I146 R151	L145-H149 PolarHBondContact O-N 3.32Å; L145-H149 VanDerWaalsContact O-N 3.08Å; I146-H149 PolarHBondContact O-N 3.4Å; H149-R151 VanDerWaalsContact C-N 3.31Å
150	N	56.3	Low	63.4	Low	154 Å²	154	103 Å²	103	82%	0.824	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-6.6	173.3	-117.7	-11.4	0	0	0	113.7	N148	N148-N150 PolarHBondContact O-N 3.32Å
151	R	54	Low	61.6	Low	211 Å²	211	96.5 Å²	96.5	80%	0.796	57%	0.565	S	S	*	*	S	Bend	trans	-101.1	83.1	170.8	-69.8	-172.7	-179.9	175	-0.3	109.1	N148 H149 G153	N148-R151 PolarHBondContact O-N 3.49Å; H149-R151 VanDerWaalsContact C-N 3.31Å; R151-G153 PolarHBondContact O-N 2.87Å
152	N	45.4	Very low	59.7	Low	165 Å²	165	100.6 Å²	100.6	88%	0.882	59%	0.592	S	S	*	*			trans	-57.1	127.6	167.1	-89.8	-20.3	0	0	0	110.7
153	G	44.4	Very low	57.8	Low	69 Å²	69	99.5 Å²	99.5	71%	0.711	58%	0.581	S	S	*	*	S	Bend	trans	121.6	110.3	156.4	0	0	0	0	0	115.5	R151	R151-G153 PolarHBondContact O-N 2.87Å
154	N	39.4	Very low	55.9	Low	165 Å²	165	99.7 Å²	99.7	88%	0.882	59%	0.587	S	S	*	*			trans	44.2	94	154.1	-83.7	11.4	0	0	0	118.2
155	S	47.8	Very low	54	Low	115 Å²	115	106.7 Å²	106.7	80%	0.804	62%	0.619	S	S	*	*			trans	-162.2	117	146.6	-81.5	0	0	0	0	110.2	G157	S155-G157 PolarHBondContact O-N 3.09Å
156	S	51.2	Low	52.6	Low	141 Å²	141	105.9 Å²	105.9	99%	0.986	62%	0.624	S	S	*	*			trans	-71.8	19	174.4	35.4	0	0	0	0	113.9
157	G	45.6	Very low	50.9	Low	59 Å²	59	103.2 Å²	103.2	61%	0.608	63%	0.626	S	S	*	*	S	Bend	trans	-101.5	122.6	173.3	0	0	0	0	0	110.1	S155	S155-G157 PolarHBondContact O-N 3.09Å
158	G	47	Very low	50.2	Low	54 Å²	54	104.7 Å²	104.7	56%	0.557	63%	0.629	S	S	*	*			trans	-54.8	160.4	174.3	0	0	0	0	0	112.3	T160	G158-T160 PolarHBondContact O-N 3.14Å
159	P	49.1	Very low	49.8	Very low	52 Å²	52	104.4 Å²	104.4	34%	0.338	63%	0.628	S	S	.	*			trans	-63.9	111.1	-171.9	27.3	-34.2	0	0	0	110.3	C161	P159-C161 PolarHBondContact O-N 3.26Å
160	T	52.2	Low	49.1	Very low	111 Å²	111	104.7 Å²	104.7	68%	0.681	63%	0.629	S	S	*	*			trans	-69.2	122.3	161.9	53.2	0	0	0	0	106.5	G158 P162	G158-T160 PolarHBondContact O-N 3.14Å; T160-P162 WeakPolarHBondContact O-CD 3.34Å
161	C	52.7	Low	48.5	Very low	8 Å²	8	102.9 Å²	102.9	5%	0.054	63%	0.626	C	S	.	*			trans	-78.2	121	177.4	-171.2	0	0	0	0	107.9	I138 L144 P159 M163 I164	I138-C161 HydrophobicContact CG2-CB 4.21Å; I138-C161 WeakPolarHBondContact CG2-SG 3.18Å; L144-C161 HydrophobicContact CD2-CB 4.5Å; P159-C161 PolarHBondContact O-N 3.26Å; C161-M163 PolarHBondContact O-N 3.43Å; C161-I164 HydrophobicContact CB-CD1 4.03Å; C161-I164 HydrophobicContact CB-CG1 4.14Å; C161-I164 PolarHBondContact O-N 3.33Å
162	P	54.1	Low	48.4	Very low	87 Å²	87	97.1 Å²	97.1	57%	0.565	61%	0.61	S	S	*	*	H	α-helix	trans	-55.6	-22.5	180	-24.9	33.5	0	0	0	113.4	T160 E165 A166	T160-P162 WeakPolarHBondContact O-CD 3.34Å; P162-E165 PolarHBondContact O-N 2.67Å; P162-A166 WeakPolarHBondContact O-CB 3.36Å; P162-A166 PolarHBondContact O-N 2.96Å
163	M	52.1	Low	48	Very low	47 Å²	47	97.4 Å²	97.4	23%	0.232	61%	0.606	C	S	.	*	H	α-helix	trans	-74	-27	177.8	-60	-166	76.5	0	0	114.2	L127 C161 L168 L169	L127-M163 HydrophobicContact CD2-CG 4.33Å; L127-M163 HydrophobicContact CD2-SD 3.36Å; L127-M163 WeakPolarHBondContact CD2-SD 3.28Å; L127-M163 HydrophobicContact CG-SD 4.03Å; C161-M163 PolarHBondContact O-N 3.43Å; M163-L168 HydrophobicContact CE-CB 4.47Å; M163-L168 PolarHBondContact O-N 3.39Å; M163-L169 HydrophobicContact CB-CD1 3.48Å; M163-L169 VanDerWaalsContact CB-CD1 3.48Å; M163-L169 HydrophobicContact CB-CG 4.21Å; M163-L169 HydrophobicContact CE-CD1 4.33Å; M163-L169 HydrophobicContact CE-CD2 4.35Å; M163-L169 HydrophobicContact CE-CG 4.29Å; M163-L169 HydrophobicContact CG-CD1 4.46Å; M163-L169 HydrophobicContact SD-CD1 4.22Å
164	I	51.3	Low	48.1	Very low	123 Å²	123	97.6 Å²	97.6	63%	0.631	59%	0.587	S	S	*	*	H	α-helix	trans	-73.6	-38	174.5	-62	172.1	0	0	0	109	C161 G167	C161-I164 HydrophobicContact CB-CD1 4.03Å; C161-I164 HydrophobicContact CB-CG1 4.14Å; C161-I164 PolarHBondContact O-N 3.33Å; I164-G167 PolarHBondContact O-N 3.29Å
165	E	45.5	Very low	47.8	Very low	162 Å²	162	94.6 Å²	94.6	76%	0.757	58%	0.579	S	S	*	*	H	α-helix	trans	-73.7	-30.2	178.6	-162.7	164.7	-167.9	0	0	112.7	P162 G167	P162-E165 PolarHBondContact O-N 2.67Å; E165-G167 VanDerWaalsContact C-N 3.25Å; E165-G167 PolarHBondContact O-N 2.93Å
166	A	52.2	Low	47	Very low	62 Å²	62	95 Å²	95	51%	0.512	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	0.7	173.4	0	0	0	0	0	114.3	P162 L168	P162-A166 WeakPolarHBondContact O-CB 3.36Å; P162-A166 PolarHBondContact O-N 2.96Å; A166-L168 HydrophobicContact CB-CD1 3.96Å; A166-L168 HydrophobicContact CB-CG 4.09Å; A166-L168 PolarHBondContact O-N 3.45Å; A166-L168 VanDerWaalsContact O-N 3.08Å
167	G	42.5	Very low	46.2	Very low	63 Å²	63	93 Å²	93	65%	0.649	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.9	16.7	-179.6	0	0	0	0	0	114.8	I164 E165 L169	I164-G167 PolarHBondContact O-N 3.29Å; E165-G167 VanDerWaalsContact C-N 3.25Å; E165-G167 PolarHBondContact O-N 2.93Å; G167-L169 VanDerWaalsContact C-N 3.26Å; G167-L169 PolarHBondContact O-N 3Å
168	L	54.3	Low	45.4	Very low	127 Å²	127	101.6 Å²	101.6	67%	0.665	59%	0.592	S	S	*	*			trans	-85.7	3.9	-173.8	-75.9	172.9	0	0	0	113.7	M163 A166	M163-L168 HydrophobicContact CE-CB 4.47Å; M163-L168 PolarHBondContact O-N 3.39Å; A166-L168 HydrophobicContact CB-CD1 3.96Å; A166-L168 HydrophobicContact CB-CG 4.09Å; A166-L168 PolarHBondContact O-N 3.45Å; A166-L168 VanDerWaalsContact O-N 3.08Å
169	L	50.3	Low	45.4	Very low	58 Å²	58	104 Å²	104	30%	0.304	59%	0.594	S	S	.	*	S	Bend	trans	-135.8	107.7	179.8	-64.3	164.9	0	0	0	107.9	P126 I138 M163 G167	P126-L169 HydrophobicContact CB-CD2 4.33Å; P126-L169 HydrophobicContact CG-CD2 3.93Å; I138-L169 HydrophobicContact CD1-CD1 3.16Å; I138-L169 HydrophobicContact CD1-CD2 4.24Å; I138-L169 HydrophobicContact CD1-CG 4.3Å; M163-L169 HydrophobicContact CB-CD1 3.48Å; M163-L169 VanDerWaalsContact CB-CD1 3.48Å; M163-L169 HydrophobicContact CB-CG 4.21Å; M163-L169 HydrophobicContact CE-CD1 4.33Å; M163-L169 HydrophobicContact CE-CD2 4.35Å; M163-L169 HydrophobicContact CE-CG 4.29Å; M163-L169 HydrophobicContact CG-CD1 4.46Å; M163-L169 HydrophobicContact SD-CD1 4.22Å; G167-L169 VanDerWaalsContact C-N 3.26Å; G167-L169 PolarHBondContact O-N 3Å
170	E	44.1	Very low	45.2	Very low	166 Å²	166	106.7 Å²	106.7	78%	0.776	61%	0.608	S	S	*	*			trans	-59.7	151.2	166.3	-63.7	-164	166.7	0	0	109.5	I172	E170-I172 PolarHBondContact O-N 3.08Å; E170-I172 VanDerWaalsContact O-N 3.09Å
171	P	43.8	Very low	44.8	Very low	115 Å²	115	106.4 Å²	106.4	75%	0.747	60%	0.604	S	S	*	*			trans	-48.3	125.3	168.4	-21.6	31.3	0	0	0	107.6	Q173	P171-Q173 PolarHBondContact O-N 3.33Å
172	I	51.3	Low	44.3	Very low	90 Å²	90	112.2 Å²	112.2	46%	0.462	64%	0.636	S	S	.	*			trans	-59.1	96.2	-179.8	-56.1	161.2	0	0	0	106.4	F123 E170 F174	F123-I172 HydrophobicContact CD2-CD1 3.8Å; F123-I172 HydrophobicContact CE2-CD1 3.32Å; F123-I172 HydrophobicContact CE2-CG1 4Å; F123-I172 HydrophobicContact CZ-CD1 4.07Å; E170-I172 PolarHBondContact O-N 3.08Å; E170-I172 VanDerWaalsContact O-N 3.09Å; I172-F174 HydrophobicContact CB-CD2 4.44Å; I172-F174 HydrophobicContact CB-CE2 4.29Å; I172-F174 HydrophobicContact CG2-CD1 4.49Å; I172-F174 HydrophobicContact CG2-CD2 3.8Å; I172-F174 HydrophobicContact CG2-CE1 4.37Å; I172-F174 HydrophobicContact CG2-CE2 3.67Å; I172-F174 HydrophobicContact CG2-CG 4.22Å; I172-F174 HydrophobicContact CG2-CZ 3.97Å; I172-F174 PolarHBondContact O-N 3.32Å
173	Q	38.1	Very low	43.7	Very low	171 Å²	171	113.8 Å²	113.8	80%	0.799	64%	0.64	S	S	*	*			trans	-69.5	95.2	165.9	-66.8	-156.7	-27.3	0	0	104.1	P171 S175	P171-Q173 PolarHBondContact O-N 3.33Å; Q173-S175 PolarHBondContact O-N 3.24Å
174	F	44.7	Very low	43.1	Very low	74 Å²	74	118.3 Å²	118.3	33%	0.325	67%	0.668	S	S	.	*			trans	-63.9	89.2	162.1	-81	-77.3	0	0	0	105.6	F92 I119 I172 T176	F92-F174 HydrophobicContact CZ-CE2 4.46Å; F92-F174 HydrophobicContact CZ-CZ 4.32Å; I119-F174 HydrophobicContact CG2-CD1 3.53Å; I119-F174 HydrophobicContact CG2-CD2 4.32Å; I119-F174 HydrophobicContact CG2-CE1 3.35Å; I119-F174 HydrophobicContact CG2-CE2 4.15Å; I119-F174 HydrophobicContact CG2-CG 4.03Å; I119-F174 HydrophobicContact CG2-CZ 3.68Å; I119-F174 WeakPolarHBondContact O-CE1 3.24Å; I172-F174 HydrophobicContact CB-CD2 4.44Å; I172-F174 HydrophobicContact CB-CE2 4.29Å; I172-F174 HydrophobicContact CG2-CD1 4.49Å; I172-F174 HydrophobicContact CG2-CD2 3.8Å; I172-F174 HydrophobicContact CG2-CE1 4.37Å; I172-F174 HydrophobicContact CG2-CE2 3.67Å; I172-F174 HydrophobicContact CG2-CG 4.22Å; I172-F174 HydrophobicContact CG2-CZ 3.97Å; I172-F174 PolarHBondContact O-N 3.32Å; F174-T176 PolarHBondContact O-N 2.76Å
175	S	33	Very low	42.5	Very low	102 Å²	102	117.9 Å²	117.9	71%	0.713	67%	0.67	S	S	*	*			trans	-54.1	113.6	169.1	27.1	0	0	0	0	107.3	Q173	Q173-S175 PolarHBondContact O-N 3.24Å
176	T	30.9	Very low	42.3	Very low	123 Å²	123	114.5 Å²	114.5	76%	0.755	66%	0.664	S	S	*	*			trans	-52.2	130	165.3	45.4	0	0	0	0	107.4	F174 N178	F174-T176 PolarHBondContact O-N 2.76Å; T176-N178 PolarHBondContact O-N 3.39Å
177	P	35.4	Very low	41.5	Very low	100 Å²	100	118.9 Å²	118.9	65%	0.649	68%	0.676	S	S	*	*			trans	-67.3	135.4	168.7	29.7	-27.3	0	0	0	107.8
178	N	29.5	Very low	41.4	Very low	238 Å²	238	124 Å²	124	100%	1.273	68%	0.679	S	S	*	*			trans	-49	0	162.8	-82.6	-10.5	0	0	0	111.7	T176	T176-N178 PolarHBondContact O-N 3.39Å

Retrieved 178 of 178 residues in 70.5 ms (Link to these results)

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