A0A096N784_PAPAN Loading...

Cholecystokinin

AlphaFold DB (A0A2K6LV94), UniProt , Accession A0A096N784, Species PAPAN (Papio anubis, Olive baboon), Gene CCK, Length 115 aa.

						>A0A096N784_PAPAN|A0A096N784|CCK
MNSGVRLCVLMAVLAAGALTQPVPPAEPAGSGLQRAEEAPRRQLRAVQRTDGESRAHLGALLARYIQQARKAPSGRMSIIKNLQNLDPSHRISDRDYMGWMDFGRRSAEEYEYPS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	59.7	Low	78.9	Confident	210 Å²	210	113.5 Å²	113.5	100%	1.034	62%	0.62	S	S	*	*				0	-31.1	0	-80.8	144.4	66.8	0	0	114.5	S3	M1-S3 PolarHBondContact O-N 3.48Å
2	N	67.6	Low	79.6	Confident	117 Å²	117	109.1 Å²	109.1	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-77.8	-13.8	-172.9	-52.7	-21.3	0	0	0	115	R6	N2-R6 WeakPolarHBondContact O-CD 3.43Å; N2-R6 VanDerWaalsContact O-CG 3.26Å; N2-R6 WeakPolarHBondContact O-CG 3.44Å; N2-R6 PolarHBondContact O-N 3.49Å
3	S	70.3	Confident	80	Confident	82 Å²	82	108.5 Å²	108.5	57%	0.573	61%	0.611	S	S	*	*	H	α-helix	trans	-72	-42.1	179.6	49.9	0	0	0	0	112.6	M1 R6 L7	M1-S3 PolarHBondContact O-N 3.48Å; S3-R6 PolarHBondContact O-N 3.49Å; S3-L7 PolarHBondContact O-N 3.17Å; S3-L7 VanDerWaalsContact O-N 3.09Å
4	G	76	Confident	80.2	Confident	41 Å²	41	109.4 Å²	109.4	42%	0.423	61%	0.612	S	S	.	*	H	α-helix	trans	-64.6	-41.1	178.7	0	0	0	0	0	112.2	R6 L7 C8	G4-R6 VanDerWaalsContact C-N 3.34Å; G4-R6 PolarHBondContact O-N 3.47Å; G4-L7 PolarHBondContact O-N 3.41Å; G4-C8 WeakPolarHBondContact O-CB 3.38Å; G4-C8 PolarHBondContact O-N 3.16Å
5	V	81.4	Confident	80.2	Confident	95 Å²	95	106 Å²	106	58%	0.576	60%	0.603	S	S	*	*	H	α-helix	trans	-61.5	-42.5	176.1	-178.6	0	0	0	0	111.1	C8 V9	V5-C8 PolarHBondContact O-N 3.43Å; V5-V9 HydrophobicContact CG1-CG2 4.49Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.47Å; V5-V9 PolarHBondContact O-N 3.42Å
6	R	77.8	Confident	79.9	Confident	178 Å²	178	102.9 Å²	102.9	67%	0.672	60%	0.595	S	S	*	*	H	α-helix	trans	-64	-43.8	177.8	-70.9	170.9	-174.1	-174.1	0.8	112.7	N2 S3 G4 C8 L10	N2-R6 WeakPolarHBondContact O-CD 3.43Å; N2-R6 VanDerWaalsContact O-CG 3.26Å; N2-R6 WeakPolarHBondContact O-CG 3.44Å; N2-R6 PolarHBondContact O-N 3.49Å; S3-R6 PolarHBondContact O-N 3.49Å; G4-R6 VanDerWaalsContact C-N 3.34Å; G4-R6 PolarHBondContact O-N 3.47Å; R6-C8 VanDerWaalsContact C-N 3.34Å; R6-L10 PolarHBondContact O-N 3Å
7	L	87.3	Confident	79.4	Confident	112 Å²	112	99.1 Å²	99.1	59%	0.586	58%	0.583	S	S	*	*	H	α-helix	trans	-62.8	-41.9	175.1	-85.7	150.5	0	0	0	111.3	S3 G4 L10 M11	S3-L7 PolarHBondContact O-N 3.17Å; S3-L7 VanDerWaalsContact O-N 3.09Å; G4-L7 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-M11 VanDerWaalsContact O-CG 3.31Å; L7-M11 WeakPolarHBondContact O-CG 3.39Å; L7-M11 PolarHBondContact O-N 3.33Å
8	C	82.6	Confident	78.6	Confident	87 Å²	87	97.3 Å²	97.3	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-63.8	-44.2	179.4	-156.1	0	0	0	0	111.9	G4 V5 R6 M11 A12	G4-C8 WeakPolarHBondContact O-CB 3.38Å; G4-C8 PolarHBondContact O-N 3.16Å; V5-C8 PolarHBondContact O-N 3.43Å; R6-C8 VanDerWaalsContact C-N 3.34Å; C8-M11 PolarHBondContact O-N 3.44Å; C8-A12 WeakPolarHBondContact O-CB 3.46Å; C8-A12 PolarHBondContact O-N 3.45Å
9	V	88.3	Confident	77.5	Confident	86 Å²	86	100.4 Å²	100.4	52%	0.521	59%	0.594	S	S	.	*	H	α-helix	trans	-64.2	-42.4	176.1	174.3	0	0	0	0	111.5	V5 M11 A12 V13	V5-V9 HydrophobicContact CG1-CG2 4.49Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.47Å; V5-V9 PolarHBondContact O-N 3.42Å; V9-M11 PolarHBondContact O-N 2.86Å; V9-A12 PolarHBondContact O-N 3.08Å; V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 3.09Å; V9-V13 VanDerWaalsContact O-N 3.08Å
10	L	89.3	Confident	76.5	Confident	111 Å²	111	100.9 Å²	100.9	58%	0.581	60%	0.598	S	S	*	*	H	α-helix	trans	-60.1	-46.1	175.9	-84.9	164.5	0	0	0	112	R6 L7 A12 V13 L14	R6-L10 PolarHBondContact O-N 3Å; L7-L10 PolarHBondContact O-N 3.37Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.21Å; L10-L14 PolarHBondContact O-N 3.48Å
11	M	87.4	Confident	75.1	Confident	129 Å²	129	103.6 Å²	103.6	64%	0.635	60%	0.604	S	S	*	*	H	α-helix	trans	-63.6	-39.1	178.1	-70.8	-60.3	-66.4	0	0	112	L7 C8 V9 L14 A15	L7-M11 VanDerWaalsContact O-CG 3.31Å; L7-M11 WeakPolarHBondContact O-CG 3.39Å; L7-M11 PolarHBondContact O-N 3.33Å; C8-M11 PolarHBondContact O-N 3.44Å; V9-M11 PolarHBondContact O-N 2.86Å; M11-L14 PolarHBondContact O-N 3.28Å; M11-A15 WeakPolarHBondContact O-CB 3.26Å; M11-A15 PolarHBondContact O-N 2.94Å
12	A	87.2	Confident	74.7	Confident	61 Å²	61	99 Å²	99	50%	0.504	59%	0.59	S	S	.	*	H	α-helix	trans	-64.2	-42.6	177.6	0	0	0	0	0	112.5	C8 V9 L10 A15 A16	C8-A12 WeakPolarHBondContact O-CB 3.46Å; C8-A12 PolarHBondContact O-N 3.45Å; V9-A12 PolarHBondContact O-N 3.08Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 3.45Å; A12-A15 PolarHBondContact O-N 2.94Å; A12-A16 WeakPolarHBondContact O-CB 3.31Å; A12-A16 PolarHBondContact O-N 2.9Å
13	V	85.2	Confident	73.9	Confident	102 Å²	102	99.4 Å²	99.4	62%	0.618	60%	0.597	S	S	*	*	H	α-helix	trans	-65.9	-41.1	177	174.2	0	0	0	0	111.2	V9 L10 A16 G17	V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 3.09Å; V9-V13 VanDerWaalsContact O-N 3.08Å; L10-V13 PolarHBondContact O-N 3.21Å; V13-A16 PolarHBondContact O-N 3.46Å; V13-G17 PolarHBondContact O-N 2.85Å
14	L	82.6	Confident	73.1	Confident	121 Å²	121	100.6 Å²	100.6	63%	0.634	60%	0.603	S	S	*	*	H	α-helix	trans	-63.1	-43.9	175.9	-105	131.6	0	0	0	112.4	L10 M11 G17 A18	L10-L14 PolarHBondContact O-N 3.48Å; M11-L14 PolarHBondContact O-N 3.28Å; L14-G17 PolarHBondContact O-N 3.44Å; L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 2.86Å
15	A	79.9	Confident	71.6	Confident	58 Å²	58	103.3 Å²	103.3	48%	0.479	61%	0.613	S	S	.	*	H	α-helix	trans	-64.2	-43.3	177.1	0	0	0	0	0	111.8	M11 A12 G17 A18 L19	M11-A15 WeakPolarHBondContact O-CB 3.26Å; M11-A15 PolarHBondContact O-N 2.94Å; A12-A15 PolarHBondContact O-N 2.94Å; A15-G17 VanDerWaalsContact C-N 3.35Å; A15-G17 PolarHBondContact O-N 3.36Å; A15-A18 PolarHBondContact O-N 2.75Å; A15-L19 WeakPolarHBondContact O-CG 3.48Å; A15-L19 PolarHBondContact O-N 3.3Å
16	A	75.8	Confident	70.1	Confident	56 Å²	56	103.6 Å²	103.6	46%	0.463	63%	0.625	S	S	.	*	H	α-helix	trans	-63.6	-40.1	176.2	0	0	0	0	0	112.1	A12 V13 L19	A12-A16 WeakPolarHBondContact O-CB 3.31Å; A12-A16 PolarHBondContact O-N 2.9Å; V13-A16 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 3.41Å
17	G	70.8	Confident	68.4	Low	38 Å²	38	102.6 Å²	102.6	39%	0.392	63%	0.628	S	S	.	*	H	α-helix	trans	-64.6	-39.8	175.2	0	0	0	0	0	113	V13 L14 A15 L19 T20	V13-G17 PolarHBondContact O-N 2.85Å; L14-G17 PolarHBondContact O-N 3.44Å; A15-G17 VanDerWaalsContact C-N 3.35Å; A15-G17 PolarHBondContact O-N 3.36Å; G17-L19 VanDerWaalsContact C-N 3.26Å; G17-L19 PolarHBondContact O-N 2.92Å; G17-T20 PolarHBondContact O-N 2.82Å; G17-T20 VanDerWaalsContact O-N 3.07Å; G17-T20 PolarHBondContact O-OG1 2.98Å
18	A	66.4	Low	66.6	Low	68 Å²	68	102.3 Å²	102.3	56%	0.562	63%	0.633	S	S	*	*	H	α-helix	trans	-63.3	-31	177.4	0	0	0	0	0	113	L14 A15 T20 Q21	L14-A18 WeakPolarHBondContact O-CB 3.33Å; L14-A18 PolarHBondContact O-N 2.86Å; A15-A18 PolarHBondContact O-N 2.75Å; A18-T20 VanDerWaalsContact C-N 3.27Å; A18-T20 PolarHBondContact O-N 3.37Å; A18-Q21 WeakPolarHBondContact O-CB 3.15Å; A18-Q21 PolarHBondContact O-N 2.98Å
19	L	56.5	Low	64.9	Low	155 Å²	155	103.5 Å²	103.5	81%	0.812	65%	0.649	S	S	*	*	H	α-helix	trans	-73.2	-18.4	175.5	-67.2	171	0	0	0	113.5	A15 A16 G17 Q21	A15-L19 WeakPolarHBondContact O-CG 3.48Å; A15-L19 PolarHBondContact O-N 3.3Å; A16-L19 PolarHBondContact O-N 3.41Å; G17-L19 VanDerWaalsContact C-N 3.26Å; G17-L19 PolarHBondContact O-N 2.92Å; L19-Q21 VanDerWaalsContact C-N 3.28Å
20	T	58	Low	62.7	Low	111 Å²	111	102.4 Å²	102.4	68%	0.681	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-0.9	173.7	65.3	0	0	0	0	112.9	G17 A18 P22	G17-T20 PolarHBondContact O-N 2.82Å; G17-T20 VanDerWaalsContact O-N 3.07Å; G17-T20 PolarHBondContact O-OG1 2.98Å; A18-T20 VanDerWaalsContact C-N 3.27Å; A18-T20 PolarHBondContact O-N 3.37Å; T20-P22 WeakPolarHBondContact O-CD 3.32Å
21	Q	47.2	Very low	60.6	Low	157 Å²	157	103.5 Å²	103.5	73%	0.734	67%	0.672	S	S	*	*	S	Bend	trans	-70.9	112.8	171.6	-167.8	142.7	-77.5	0	0	108.5	A18 L19 V23	A18-Q21 WeakPolarHBondContact O-CB 3.15Å; A18-Q21 PolarHBondContact O-N 2.98Å; L19-Q21 VanDerWaalsContact C-N 3.28Å; Q21-V23 PolarHBondContact O-N 2.72Å
22	P	50.6	Low	58.2	Low	113 Å²	113	100.4 Å²	100.4	73%	0.734	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-63.5	116.1	178	25.5	-30.6	0	0	0	108.1	T20	T20-P22 WeakPolarHBondContact O-CD 3.32Å
23	V	52.2	Low	56.3	Low	127 Å²	127	105.9 Å²	105.9	77%	0.77	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-60.1	127.2	171	99.6	0	0	0	0	107	Q21	Q21-V23 PolarHBondContact O-N 2.72Å
24	P	53.3	Low	54.4	Low	107 Å²	107	110.2 Å²	110.2	70%	0.695	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-61.7	134.5	169.9	24.8	-30.5	0	0	0	107.9	A26	P24-A26 PolarHBondContact O-N 2.82Å
25	P	43.7	Very low	52.4	Low	98 Å²	98	115.7 Å²	115.7	64%	0.636	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-60.6	129.1	179.6	24.7	-31.7	0	0	0	108.8	E27	P25-E27 VanDerWaalsContact C-N 3.27Å; P25-E27 PolarHBondContact O-N 2.97Å
26	A	50.9	Low	50.6	Low	101 Å²	101	116.4 Å²	116.4	84%	0.835	73%	0.725	S	S	*	*			trans	-64.1	94.4	163.3	0	0	0	0	0	107.2	P24 P28	P24-A26 PolarHBondContact O-N 2.82Å; A26-P28 WeakPolarHBondContact O-CD 3.16Å
27	E	40.5	Very low	49.4	Very low	156 Å²	156	119.6 Å²	119.6	73%	0.729	73%	0.73	S	S	*	*			trans	-77.6	125.6	174.7	-74.8	-73	107.7	0	0	109.6	P25	P25-E27 VanDerWaalsContact C-N 3.27Å; P25-E27 PolarHBondContact O-N 2.97Å
28	P	49.8	Very low	48.1	Very low	106 Å²	106	126 Å²	126	69%	0.688	75%	0.75	S	S	*	*			trans	-72.6	141.4	164.6	30.9	-30.6	0	0	0	109.7	A26 G30	A26-P28 WeakPolarHBondContact O-CD 3.16Å; P28-G30 PolarHBondContact O-N 2.85Å
29	A	46.3	Very low	47.1	Very low	112 Å²	112	125.6 Å²	125.6	93%	0.926	75%	0.747	S	S	*	*	S	Bend	trans	-30.9	120.4	174.3	0	0	0	0	0	115.3
30	G	42.2	Very low	46.8	Very low	64 Å²	64	121.1 Å²	121.1	66%	0.66	73%	0.727	S	S	*	*			trans	152.5	111.5	159.7	0	0	0	0	0	116.1	P28	P28-G30 PolarHBondContact O-N 2.85Å
31	S	45.6	Very low	46.4	Very low	133 Å²	133	123.3 Å²	123.3	93%	0.93	72%	0.723	S	S	*	*			trans	57.1	103	153.1	60.2	0	0	0	0	119.5
32	G	38	Very low	46.6	Very low	64 Å²	64	126.1 Å²	126.1	66%	0.66	73%	0.727	S	S	*	*			trans	179.8	37.2	167.6	0	0	0	0	0	116.7	Q34	G32-Q34 PolarHBondContact O-N 3.38Å
33	L	47.3	Very low	46.7	Very low	176 Å²	176	127.1 Å²	127.1	92%	0.921	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	11.5	-168.1	-122.6	167.7	0	0	0	116.9
34	Q	43.9	Very low	46.5	Very low	194 Å²	194	126.1 Å²	126.1	91%	0.907	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.3	-4	-173.4	-73.1	-157.9	39.3	0	0	118.9	G32	G32-Q34 PolarHBondContact O-N 3.38Å
35	R	41.2	Very low	46.3	Very low	236 Å²	236	129.2 Å²	129.2	89%	0.891	71%	0.709	S	S	*	*	S	Bend	trans	-108.2	-6.7	-179	-168.6	155.1	-109.8	128.6	-1.4	115.1
36	A	43	Very low	46.6	Very low	73 Å²	73	127.1 Å²	127.1	60%	0.603	70%	0.7	S	S	*	*	S	Bend	trans	-93.5	-5	-170.6	0	0	0	0	0	115.7	P40	A36-P40 WeakPolarHBondContact O-CD 3.34Å; A36-P40 WeakPolarHBondContact O-CG 3.19Å
37	E	50.1	Low	46.7	Very low	122 Å²	122	126.9 Å²	126.9	57%	0.57	69%	0.688	S	S	*	*	S	Bend	trans	-92	-19.3	-171.5	-116.7	-88.4	102.1	0	0	114.6	R41	E37-R41 IonicContact OE1-CZ 3.38Å; E37-R41 IonicContact OE1-NH1 3.11Å; E37-R41 PolarHBondContact OE1-NH1 3.11Å; E37-R41 VanDerWaalsContact OE1-NH1 3.11Å; E37-R41 IonicContact OE1-NH2 3.38Å; E37-R41 PolarHBondContact OE1-NH2 2.7Å; E37-R41 IonicContact OE2-CZ 3.47Å; E37-R41 IonicContact OE2-NH1 2.66Å; E37-R41 PolarHBondContact OE2-NH1 2.66Å; E37-R41 IonicContact OE2-NH2 3.45Å; E37-R41 PolarHBondContact OE2-NH2 2.94Å
38	E	44.1	Very low	47.2	Very low	173 Å²	173	125.4 Å²	125.4	81%	0.808	68%	0.681	S	S	*	*	S	Bend	trans	-100.4	-28.2	-172.1	-157.9	137.1	-157.5	0	0	114.1
39	A	43.8	Very low	47.2	Very low	60 Å²	60	128.4 Å²	128.4	50%	0.496	68%	0.679	S	S	.	*	H	α-helix	trans	-71.8	-37	174	0	0	0	0	0	115.1	R41	A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.45Å
40	P	50.5	Low	47.5	Very low	61 Å²	61	126.9 Å²	126.9	40%	0.396	66%	0.658	S	S	.	*	H	α-helix	trans	-71	-30.7	-178.1	-10.8	24	0	0	0	112.2	A36 R42 Q43 L44	A36-P40 WeakPolarHBondContact O-CD 3.34Å; A36-P40 WeakPolarHBondContact O-CG 3.19Å; P40-R42 PolarHBondContact O-N 2.83Å; P40-Q43 PolarHBondContact O-N 3.27Å; P40-L44 WeakPolarHBondContact O-CB 3.2Å; P40-L44 PolarHBondContact O-N 3.4Å
41	R	51	Low	48	Very low	156 Å²	156	127 Å²	127	59%	0.589	64%	0.644	S	S	*	*	H	α-helix	trans	-65.6	-37.1	-177.8	-75.7	-163.5	164.5	103.7	5.1	113.2	E37 A39 R45	E37-R41 IonicContact OE1-CZ 3.38Å; E37-R41 IonicContact OE1-NH1 3.11Å; E37-R41 PolarHBondContact OE1-NH1 3.11Å; E37-R41 VanDerWaalsContact OE1-NH1 3.11Å; E37-R41 IonicContact OE1-NH2 3.38Å; E37-R41 PolarHBondContact OE1-NH2 2.7Å; E37-R41 IonicContact OE2-CZ 3.47Å; E37-R41 IonicContact OE2-NH1 2.66Å; E37-R41 PolarHBondContact OE2-NH1 2.66Å; E37-R41 IonicContact OE2-NH2 3.45Å; E37-R41 PolarHBondContact OE2-NH2 2.94Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.45Å; R41-R45 WeakPolarHBondContact O-CB 3.17Å; R41-R45 PolarHBondContact O-N 3.49Å
42	R	51.5	Low	48.7	Very low	217 Å²	217	122.6 Å²	122.6	82%	0.819	62%	0.619	S	S	*	*	H	α-helix	trans	-70.8	-39.9	175.3	-87	-176.2	176.3	176.3	0.7	112.2	P40 R45 A46	P40-R42 PolarHBondContact O-N 2.83Å; R42-R45 PolarHBondContact O-N 3.2Å; R42-A46 PolarHBondContact O-N 3.45Å; R42-A46 VanDerWaalsContact O-N 3.09Å
43	Q	50.9	Low	49.9	Very low	134 Å²	134	126.7 Å²	126.7	63%	0.626	62%	0.621	S	S	*	*	H	α-helix	trans	-70.3	-40.6	179	-65.5	-174.9	17.3	0	0	112	P40 R45 A46 V47	P40-Q43 PolarHBondContact O-N 3.27Å; Q43-R45 VanDerWaalsContact C-N 3.28Å; Q43-R45 PolarHBondContact O-N 2.83Å; Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.08Å; Q43-V47 WeakPolarHBondContact O-CG2 3.33Å; Q43-V47 PolarHBondContact O-N 2.9Å
44	L	49.8	Very low	50.8	Low	105 Å²	105	121.8 Å²	121.8	55%	0.55	60%	0.601	S	S	.	*	H	α-helix	trans	-65.2	-33.1	176.6	-160	145.4	0	0	0	111.6	P40 Q48	P40-L44 WeakPolarHBondContact O-CB 3.2Å; P40-L44 PolarHBondContact O-N 3.4Å; L44-Q48 HydrophobicContact CD2-CG 4.48Å; L44-Q48 VanDerWaalsContact CD2-NE2 3.3Å; L44-Q48 WeakPolarHBondContact O-CB 3.01Å; L44-Q48 WeakPolarHBondContact O-CG 2.89Å; L44-Q48 PolarHBondContact O-N 3.39Å
45	R	48.9	Very low	51.8	Low	172 Å²	172	120.5 Å²	120.5	65%	0.649	59%	0.588	S	S	*	*	H	α-helix	trans	-74.3	-25.5	172.4	-136.8	179.3	-160.6	-170.5	5.6	113.7	R41 R42 Q43 R49	R41-R45 WeakPolarHBondContact O-CB 3.17Å; R41-R45 PolarHBondContact O-N 3.49Å; R42-R45 PolarHBondContact O-N 3.2Å; Q43-R45 VanDerWaalsContact C-N 3.28Å; Q43-R45 PolarHBondContact O-N 2.83Å; R45-R49 WeakPolarHBondContact O-CG 3.43Å; R45-R49 PolarHBondContact O-N 2.88Å
46	A	50.2	Low	53.4	Low	54 Å²	54	112.3 Å²	112.3	45%	0.446	57%	0.571	S	S	.	*	H	α-helix	trans	-80.2	-42.8	175.3	0	0	0	0	0	111.3	R42 Q43 R49 T50	R42-A46 PolarHBondContact O-N 3.45Å; R42-A46 VanDerWaalsContact O-N 3.09Å; Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.08Å; A46-R49 PolarHBondContact O-N 2.85Å; A46-R49 VanDerWaalsContact O-N 3.16Å; A46-T50 PolarHBondContact O-N 3.49Å
47	V	51.3	Low	55	Low	97 Å²	97	114.8 Å²	114.8	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-64.8	-36.9	172.9	173.7	0	0	0	0	111.4	Q43 R49 T50 D51	Q43-V47 WeakPolarHBondContact O-CG2 3.33Å; Q43-V47 PolarHBondContact O-N 2.9Å; V47-R49 VanDerWaalsContact C-N 3.31Å; V47-R49 PolarHBondContact O-N 3.45Å; V47-T50 PolarHBondContact O-N 3.5Å; V47-T50 PolarHBondContact O-OG1 3.32Å; V47-D51 WeakPolarHBondContact O-CB 3.4Å; V47-D51 PolarHBondContact O-N 3.08Å
48	Q	51.3	Low	56.6	Low	125 Å²	125	113.7 Å²	113.7	58%	0.584	57%	0.568	S	S	*	*	H	α-helix	trans	-66.3	-30.2	172.7	-83.9	-164.5	47.3	0	0	113.6	L44 G52	L44-Q48 HydrophobicContact CD2-CG 4.48Å; L44-Q48 VanDerWaalsContact CD2-NE2 3.3Å; L44-Q48 WeakPolarHBondContact O-CB 3.01Å; L44-Q48 WeakPolarHBondContact O-CG 2.89Å; L44-Q48 PolarHBondContact O-N 3.39Å; Q48-G52 PolarHBondContact O-N 3.4Å
49	R	50.6	Low	58.6	Low	168 Å²	168	107.1 Å²	107.1	63%	0.634	55%	0.546	S	S	*	.	H	α-helix	trans	-70.8	-40.1	175.8	-81.2	-174.2	176	103	-6.7	111.7	R45 A46 V47 G52 E53	R45-R49 WeakPolarHBondContact O-CG 3.43Å; R45-R49 PolarHBondContact O-N 2.88Å; A46-R49 PolarHBondContact O-N 2.85Å; A46-R49 VanDerWaalsContact O-N 3.16Å; V47-R49 VanDerWaalsContact C-N 3.31Å; V47-R49 PolarHBondContact O-N 3.45Å; R49-G52 PolarHBondContact O-N 2.85Å; R49-E53 PolarHBondContact O-N 3.06Å
50	T	52.1	Low	60.6	Low	81 Å²	81	106.7 Å²	106.7	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-75	-32.1	175.4	57.7	0	0	0	0	112.4	A46 V47 G52 E53 S54	A46-T50 PolarHBondContact O-N 3.49Å; V47-T50 PolarHBondContact O-N 3.5Å; V47-T50 PolarHBondContact O-OG1 3.32Å; T50-G52 VanDerWaalsContact C-N 3.34Å; T50-E53 PolarHBondContact O-N 2.94Å; T50-S54 WeakPolarHBondContact O-CB 3.25Å; T50-S54 PolarHBondContact O-N 3.49Å; T50-S54 PolarHBondContact O-OG 2.99Å
51	D	54	Low	62.4	Low	66 Å²	66	108 Å²	108	35%	0.353	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-36.5	171.3	-175.8	48.1	0	0	0	111.3	V47 E53 S54 R55	V47-D51 WeakPolarHBondContact O-CB 3.4Å; V47-D51 PolarHBondContact O-N 3.08Å; D51-E53 PolarHBondContact O-N 3.37Å; D51-S54 PolarHBondContact O-N 3.44Å; D51-R55 WeakPolarHBondContact O-CB 3.34Å; D51-R55 WeakPolarHBondContact O-CG 3.38Å; D51-R55 PolarHBondContact O-N 3.45Å; D51-R55 VanDerWaalsContact OD1-CD 3.32Å; D51-R55 WeakPolarHBondContact OD1-CD 3.48Å; D51-R55 WeakPolarHBondContact OD1-CG 3.34Å; D51-R55 WeakPolarHBondContact OD2-CD 3.22Å; D51-R55 IonicContact OD2-NH1 3.49Å; D51-R55 PolarHBondContact OD2-NH1 2.97Å
52	G	59.9	Low	64.1	Low	40 Å²	40	105 Å²	105	41%	0.412	54%	0.541	S	S	.	.	H	α-helix	trans	-59.6	-46.1	174.8	0	0	0	0	0	113.3	Q48 R49 T50 A56	Q48-G52 PolarHBondContact O-N 3.4Å; R49-G52 PolarHBondContact O-N 2.85Å; T50-G52 VanDerWaalsContact C-N 3.34Å; G52-A56 VanDerWaalsContact O-CB 3.26Å; G52-A56 WeakPolarHBondContact O-CB 3.49Å; G52-A56 PolarHBondContact O-N 3.07Å
53	E	62.8	Low	65.8	Low	151 Å²	151	97 Å²	97	71%	0.706	52%	0.522	S	S	*	.	H	α-helix	trans	-69.8	-40.4	176.6	-66.6	-178.5	167.3	0	0	111.8	R49 T50 D51 A56 H57	R49-E53 PolarHBondContact O-N 3.06Å; T50-E53 PolarHBondContact O-N 2.94Å; D51-E53 PolarHBondContact O-N 3.37Å; E53-A56 PolarHBondContact O-N 3.33Å; E53-H57 VanDerWaalsContact O-CB 3.31Å; E53-H57 WeakPolarHBondContact O-CB 3.39Å; E53-H57 PolarHBondContact O-N 3.27Å
54	S	65.9	Low	67.3	Low	72 Å²	72	98.8 Å²	98.8	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-41.7	176.7	-57.3	0	0	0	0	111.8	T50 D51 H57 L58	T50-S54 WeakPolarHBondContact O-CB 3.25Å; T50-S54 PolarHBondContact O-N 3.49Å; T50-S54 PolarHBondContact O-OG 2.99Å; D51-S54 PolarHBondContact O-N 3.44Å; S54-H57 PolarHBondContact O-N 3.27Å; S54-L58 WeakPolarHBondContact O-CB 3.26Å; S54-L58 PolarHBondContact O-N 3.45Å
55	R	64.2	Low	68.8	Low	167 Å²	167	101.2 Å²	101.2	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-70.1	-37.7	175.4	-74.8	170.4	69.3	146	4	112.2	D51 G59	D51-R55 WeakPolarHBondContact O-CB 3.34Å; D51-R55 WeakPolarHBondContact O-CG 3.38Å; D51-R55 PolarHBondContact O-N 3.45Å; D51-R55 VanDerWaalsContact OD1-CD 3.32Å; D51-R55 WeakPolarHBondContact OD1-CD 3.48Å; D51-R55 WeakPolarHBondContact OD1-CG 3.34Å; D51-R55 WeakPolarHBondContact OD2-CD 3.22Å; D51-R55 IonicContact OD2-NH1 3.49Å; D51-R55 PolarHBondContact OD2-NH1 2.97Å; R55-G59 PolarHBondContact O-N 3.33Å
56	A	75.1	Confident	70.4	Confident	65 Å²	65	97.3 Å²	97.3	54%	0.537	52%	0.517	S	S	.	.	H	α-helix	trans	-65	-40.6	172.9	0	0	0	0	0	111.3	G52 E53 G59 A60	G52-A56 VanDerWaalsContact O-CB 3.26Å; G52-A56 WeakPolarHBondContact O-CB 3.49Å; G52-A56 PolarHBondContact O-N 3.07Å; E53-A56 PolarHBondContact O-N 3.33Å; A56-G59 PolarHBondContact O-N 3.37Å; A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 3.05Å
57	H	77.2	Confident	71.8	Confident	124 Å²	124	100.5 Å²	100.5	57%	0.574	52%	0.522	S	S	*	.	H	α-helix	trans	-66.5	-45.3	176	-173.9	71.3	0	0	0	112.2	E53 S54 A60 L61	E53-H57 VanDerWaalsContact O-CB 3.31Å; E53-H57 WeakPolarHBondContact O-CB 3.39Å; E53-H57 PolarHBondContact O-N 3.27Å; S54-H57 PolarHBondContact O-N 3.27Å; H57-A60 PolarHBondContact O-N 3.25Å; H57-L61 WeakPolarHBondContact NE2-CD1 3.3Å; H57-L61 WeakPolarHBondContact O-CG 3.32Å; H57-L61 PolarHBondContact O-N 2.97Å
58	L	83.8	Confident	72.8	Confident	100 Å²	100	102.1 Å²	102.1	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-62.1	-43.4	174.2	-175.9	65.5	0	0	0	111.2	S54 A60 L61 L62	S54-L58 WeakPolarHBondContact O-CB 3.26Å; S54-L58 PolarHBondContact O-N 3.45Å; L58-A60 PolarHBondContact O-N 2.93Å; L58-L61 PolarHBondContact O-N 3.2Å; L58-L62 HydrophobicContact CG-CD1 4.11Å; L58-L62 WeakPolarHBondContact O-CB 3.39Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 3.4Å
59	G	86.8	Confident	73.4	Confident	35 Å²	35	99.2 Å²	99.2	36%	0.361	52%	0.521	S	S	.	.	H	α-helix	trans	-60.1	-42.2	175.2	0	0	0	0	0	112.6	R55 A56 L62 A63	R55-G59 PolarHBondContact O-N 3.33Å; A56-G59 PolarHBondContact O-N 3.37Å; G59-L62 PolarHBondContact O-N 2.95Å; G59-A63 WeakPolarHBondContact O-CB 3.42Å; G59-A63 PolarHBondContact O-N 3.31Å
60	A	85.9	Confident	74	Confident	51 Å²	51	101.4 Å²	101.4	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-39.6	176.1	0	0	0	0	0	112.5	A56 H57 L58 A63 R64	A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 3.05Å; H57-A60 PolarHBondContact O-N 3.25Å; L58-A60 PolarHBondContact O-N 2.93Å; A60-A63 PolarHBondContact O-N 3.32Å; A60-R64 WeakPolarHBondContact O-CB 3.47Å; A60-R64 WeakPolarHBondContact O-CG 3.44Å; A60-R64 PolarHBondContact O-N 2.85Å
61	L	87.6	Confident	74.4	Confident	89 Å²	89	106.5 Å²	106.5	47%	0.466	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-43.7	174.4	-77.7	172.2	0	0	0	111.9	H57 L58 R64 Y65	H57-L61 WeakPolarHBondContact NE2-CD1 3.3Å; H57-L61 WeakPolarHBondContact O-CG 3.32Å; H57-L61 PolarHBondContact O-N 2.97Å; L58-L61 PolarHBondContact O-N 3.2Å; L61-R64 PolarHBondContact O-N 3.09Å; L61-Y65 WeakPolarHBondContact O-CB 3.05Å; L61-Y65 PolarHBondContact O-N 3.32Å
62	L	87.1	Confident	74.5	Confident	93 Å²	93	106 Å²	106	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-61.5	-45.6	174.9	-74.4	170.2	0	0	0	111.1	L58 G59 R64 Y65 I66	L58-L62 HydrophobicContact CG-CD1 4.11Å; L58-L62 WeakPolarHBondContact O-CB 3.39Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 3.4Å; G59-L62 PolarHBondContact O-N 2.95Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.35Å; L62-Y65 PolarHBondContact O-N 2.91Å; L62-I66 WeakPolarHBondContact O-CB 3.41Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.22Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.4Å
63	A	87.4	Confident	74.1	Confident	49 Å²	49	110 Å²	110	41%	0.405	57%	0.568	S	S	.	*	H	α-helix	trans	-59.8	-45.1	176.2	0	0	0	0	0	111.5	G59 A60 Y65 I66 Q67	G59-A63 WeakPolarHBondContact O-CB 3.42Å; G59-A63 PolarHBondContact O-N 3.31Å; A60-A63 PolarHBondContact O-N 3.32Å; A63-Y65 PolarHBondContact O-N 3.05Å; A63-I66 PolarHBondContact O-N 2.78Å; A63-Q67 WeakPolarHBondContact O-CB 3.34Å; A63-Q67 VanDerWaalsContact O-CG 3.25Å; A63-Q67 WeakPolarHBondContact O-CG 3.48Å; A63-Q67 PolarHBondContact O-N 3.36Å
64	R	82.1	Confident	73.7	Confident	170 Å²	170	108.3 Å²	108.3	64%	0.642	57%	0.573	S	S	*	*	H	α-helix	trans	-61.8	-42.1	174.4	-77.4	-174.8	179.6	-160.2	1.1	112.1	A60 L61 L62 Q67 Q68	A60-R64 WeakPolarHBondContact O-CB 3.47Å; A60-R64 WeakPolarHBondContact O-CG 3.44Å; A60-R64 PolarHBondContact O-N 2.85Å; L61-R64 PolarHBondContact O-N 3.09Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.35Å; R64-Q67 PolarHBondContact O-N 2.98Å; R64-Q68 WeakPolarHBondContact O-CB 3.26Å; R64-Q68 VanDerWaalsContact O-CG 3.26Å; R64-Q68 WeakPolarHBondContact O-CG 3.33Å; R64-Q68 PolarHBondContact O-N 3.44Å
65	Y	80.7	Confident	73.2	Confident	157 Å²	157	107.6 Å²	107.6	62%	0.616	58%	0.576	S	S	*	*	H	α-helix	trans	-64.4	-43.4	177.8	-178.8	-102.2	0	0	0	111.8	L61 L62 A63 Q68 A69	L61-Y65 WeakPolarHBondContact O-CB 3.05Å; L61-Y65 PolarHBondContact O-N 3.32Å; L62-Y65 PolarHBondContact O-N 2.91Å; A63-Y65 PolarHBondContact O-N 3.05Å; Y65-Q68 PolarHBondContact O-N 2.98Å; Y65-A69 WeakPolarHBondContact O-CB 3.31Å; Y65-A69 PolarHBondContact O-N 3.39Å
66	I	82.7	Confident	72.8	Confident	90 Å²	90	109.5 Å²	109.5	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-42.4	176.4	-65.9	162.7	0	0	0	110.6	L62 A63 Q68 A69 R70	L62-I66 WeakPolarHBondContact O-CB 3.41Å; L62-I66 WeakPolarHBondContact O-CD1 3.36Å; L62-I66 VanDerWaalsContact O-CG1 3.22Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.4Å; A63-I66 PolarHBondContact O-N 2.78Å; I66-Q68 VanDerWaalsContact C-N 3.34Å; I66-A69 PolarHBondContact O-N 3.48Å; I66-R70 WeakPolarHBondContact O-CG 3.46Å; I66-R70 PolarHBondContact O-N 3.4Å
67	Q	79.6	Confident	71.7	Confident	121 Å²	121	113.3 Å²	113.3	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-63.5	-39.3	174.7	-74.6	178.7	-39.9	0	0	112	A63 R64 R70 K71	A63-Q67 WeakPolarHBondContact O-CB 3.34Å; A63-Q67 VanDerWaalsContact O-CG 3.25Å; A63-Q67 WeakPolarHBondContact O-CG 3.48Å; A63-Q67 PolarHBondContact O-N 3.36Å; R64-Q67 PolarHBondContact O-N 2.98Å; Q67-R70 PolarHBondContact O-N 3.35Å; Q67-K71 WeakPolarHBondContact O-CB 3.4Å; Q67-K71 WeakPolarHBondContact O-CG 3.49Å; Q67-K71 PolarHBondContact O-N 2.94Å
68	Q	72.7	Confident	70.6	Confident	131 Å²	131	110.3 Å²	110.3	61%	0.612	59%	0.585	S	S	*	*	H	α-helix	trans	-67.4	-39.7	173.8	-77.3	178.2	-10.2	0	0	112	R64 Y65 I66 R70 K71 A72	R64-Q68 WeakPolarHBondContact O-CB 3.26Å; R64-Q68 VanDerWaalsContact O-CG 3.26Å; R64-Q68 WeakPolarHBondContact O-CG 3.33Å; R64-Q68 PolarHBondContact O-N 3.44Å; Y65-Q68 PolarHBondContact O-N 2.98Å; I66-Q68 VanDerWaalsContact C-N 3.34Å; Q68-R70 VanDerWaalsContact C-N 3.26Å; Q68-R70 PolarHBondContact O-N 2.98Å; Q68-K71 PolarHBondContact O-N 3.13Å; Q68-A72 WeakPolarHBondContact O-CB 3.5Å; Q68-A72 PolarHBondContact O-N 2.68Å
69	A	64.3	Low	69.2	Low	64 Å²	64	110 Å²	110	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-64.8	-31.5	175.2	0	0	0	0	0	112.3	Y65 I66	Y65-A69 WeakPolarHBondContact O-CB 3.31Å; Y65-A69 PolarHBondContact O-N 3.39Å; I66-A69 PolarHBondContact O-N 3.48Å
70	R	63.1	Low	67.8	Low	213 Å²	213	114.1 Å²	114.1	80%	0.804	60%	0.595	S	S	*	*	H	α-helix	trans	-78.8	-27.2	173.1	-73.8	-179.1	171.8	-166.8	-2	113.7	I66 Q67 Q68	I66-R70 WeakPolarHBondContact O-CG 3.46Å; I66-R70 PolarHBondContact O-N 3.4Å; Q67-R70 PolarHBondContact O-N 3.35Å; Q68-R70 VanDerWaalsContact C-N 3.26Å; Q68-R70 PolarHBondContact O-N 2.98Å
71	K	60.1	Low	66.3	Low	189 Å²	189	118 Å²	118	82%	0.822	60%	0.603	S	S	*	*	H	α-helix	trans	-90	-18.3	178.6	-79	178.8	171.2	-160.6	0	114	Q67 Q68	Q67-K71 WeakPolarHBondContact O-CB 3.4Å; Q67-K71 WeakPolarHBondContact O-CG 3.49Å; Q67-K71 PolarHBondContact O-N 2.94Å; Q68-K71 PolarHBondContact O-N 3.13Å
72	A	54.9	Low	64.7	Low	54 Å²	54	119 Å²	119	45%	0.446	61%	0.608	S	S	.	*	S	Bend	trans	-73.1	135.9	169.3	0	0	0	0	0	109.1	Q68 S74	Q68-A72 WeakPolarHBondContact O-CB 3.5Å; Q68-A72 PolarHBondContact O-N 2.68Å; A72-S74 PolarHBondContact O-N 3.32Å; A72-S74 VanDerWaalsContact O-N 3.13Å
73	P	51.4	Low	63.3	Low	125 Å²	125	120.7 Å²	120.7	81%	0.812	62%	0.617	S	S	*	*			trans	-57.2	126.2	177.2	24.9	-31.5	0	0	0	108.2	G75	P73-G75 PolarHBondContact O-N 3.36Å
74	S	55.9	Low	61.9	Low	116 Å²	116	125.6 Å²	125.6	81%	0.811	63%	0.632	S	S	*	*	S	Bend	trans	-55	72.4	179.3	-173.3	0	0	0	0	112.3	A72	A72-S74 PolarHBondContact O-N 3.32Å; A72-S74 VanDerWaalsContact O-N 3.13Å
75	G	55.3	Low	60.6	Low	56 Å²	56	123.6 Å²	123.6	58%	0.577	63%	0.634	S	S	*	*			trans	-127.5	-6.1	-175.7	0	0	0	0	0	114.1	P73	P73-G75 PolarHBondContact O-N 3.36Å
76	R	55.1	Low	59.6	Low	208 Å²	208	122.4 Å²	122.4	79%	0.785	64%	0.638	S	S	*	*			trans	-101.8	2.3	-176.9	-73.7	-176.2	73.4	147.4	0.7	115.3	S78	R76-S78 PolarHBondContact O-N 3.14Å; R76-S78 VanDerWaalsContact O-N 3.14Å
77	M	51.9	Low	58.3	Low	145 Å²	145	122.9 Å²	122.9	71%	0.714	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	5.9	173.5	-65.1	-162.9	75.3	0	0	113.6
78	S	53.8	Low	57.5	Low	60 Å²	60	122.1 Å²	122.1	42%	0.42	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-10.4	176.7	61.4	0	0	0	0	114.6	R76	R76-S78 PolarHBondContact O-N 3.14Å; R76-S78 VanDerWaalsContact O-N 3.14Å
79	I	54.7	Low	56.9	Low	95 Å²	95	120.9 Å²	120.9	49%	0.487	65%	0.652	S	S	.	*	S	Bend	trans	-81.3	-21	-172.6	-63.4	167	0	0	0	112.6	K81	I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.4Å
80	I	56.5	Low	56.5	Low	120 Å²	120	124.9 Å²	124.9	62%	0.615	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-75.7	-20.9	-176.2	-52.3	177.9	0	0	0	112	N82	I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 3.4Å
81	K	56.4	Low	56.6	Low	133 Å²	133	123.6 Å²	123.6	58%	0.578	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-73.6	-21.7	-177.4	-29.5	-175.2	-165.7	-171.3	0	113.4	I79	I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.4Å
82	N	53.9	Low	56.9	Low	110 Å²	110	120.2 Å²	120.2	59%	0.588	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-89.5	-8.8	-173.2	-73.8	-63.7	0	0	0	114.2	I80 Q84	I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 3.4Å; N82-Q84 VanDerWaalsContact C-N 3.26Å
83	L	57.1	Low	57.6	Low	128 Å²	128	119.9 Å²	119.9	67%	0.67	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-76.8	-15.1	172.7	-77.6	98	0	0	0	113.1	N85	L83-N85 VanDerWaalsContact C-N 3.29Å
84	Q	57.9	Low	58.6	Low	152 Å²	152	120.4 Å²	120.4	71%	0.71	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-82.6	-7.5	-178.7	-55.8	178.1	-22.5	0	0	112.9	N82	N82-Q84 VanDerWaalsContact C-N 3.26Å
85	N	55.2	Low	59.3	Low	128 Å²	128	125.1 Å²	125.1	68%	0.684	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-103.4	14.8	-176.8	-71.9	-62.7	0	0	0	113.2	L83 D87	L83-N85 VanDerWaalsContact C-N 3.29Å; N85-D87 PolarHBondContact O-N 3.36Å
86	L	58.8	Low	60.2	Low	133 Å²	133	127.4 Å²	127.4	70%	0.696	63%	0.634	S	S	*	*	S	Bend	trans	-82.3	106.3	165.2	-79.3	91	0	0	0	107.8
87	D	56.7	Low	61.1	Low	99 Å²	99	124.2 Å²	124.2	53%	0.529	62%	0.623	S	S	.	*			trans	39.6	108.6	163.1	-164.7	2.5	0	0	0	117	N85 S89 H90	N85-D87 PolarHBondContact O-N 3.36Å; D87-S89 PolarHBondContact O-N 3.23Å; D87-S89 WeakPolarHBondContact OD1-CB 3.48Å; D87-S89 PolarHBondContact OD1-N 2.96Å; D87-H90 PolarHBondContact O-N 2.83Å
88	P	61.9	Low	62.1	Low	105 Å²	105	122.4 Å²	122.4	68%	0.682	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-52.2	-21.2	171.6	-25.1	34.7	0	0	0	114.6	H90 R91	P88-H90 VanDerWaalsContact C-N 3.28Å; P88-H90 PolarHBondContact O-N 2.83Å; P88-R91 PolarHBondContact O-N 2.99Å
89	S	59.5	Low	63.3	Low	105 Å²	105	120.8 Å²	120.8	73%	0.734	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-72.4	-12.7	175.8	-165.5	0	0	0	0	114.7	D87	D87-S89 PolarHBondContact O-N 3.23Å; D87-S89 WeakPolarHBondContact OD1-CB 3.48Å; D87-S89 PolarHBondContact OD1-N 2.96Å
90	H	56.6	Low	64.5	Low	148 Å²	148	125.2 Å²	125.2	69%	0.685	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-109.4	16.7	174	-159.6	-63.8	0	0	0	112	D87 P88 I92	D87-H90 PolarHBondContact O-N 2.83Å; P88-H90 VanDerWaalsContact C-N 3.28Å; P88-H90 PolarHBondContact O-N 2.83Å; H90-I92 PolarHBondContact O-N 3.42Å
91	R	64	Low	65.6	Low	186 Å²	186	124.1 Å²	124.1	70%	0.702	61%	0.611	S	S	*	*			trans	-77	85.7	166	-65.3	178.2	100.9	152.7	6.1	107.1	P88 S93	P88-R91 PolarHBondContact O-N 2.99Å; R91-S93 PolarHBondContact O-N 3.18Å
92	I	66.8	Low	66.4	Low	119 Å²	119	120 Å²	120	61%	0.61	60%	0.595	S	S	*	*			trans	-38.3	111.1	157.7	-81.7	164.5	0	0	0	105.8	H90	H90-I92 PolarHBondContact O-N 3.42Å
93	S	71.3	Confident	67.1	Low	46 Å²	46	121 Å²	121	32%	0.322	59%	0.594	S	S	.	*			trans	-75.1	143	-176.8	76.6	0	0	0	0	107	R91 R95 D96 Y97	R91-S93 PolarHBondContact O-N 3.18Å; S93-R95 PolarHBondContact O-N 2.95Å; S93-D96 WeakPolarHBondContact CB-OD2 3.22Å; S93-D96 PolarHBondContact N-OD2 2.88Å; S93-D96 WeakPolarHBondContact O-CB 3.29Å; S93-D96 PolarHBondContact O-N 3.19Å; S93-D96 PolarHBondContact OG-N 2.83Å; S93-D96 PolarHBondContact OG-OD1 3.01Å; S93-D96 PolarHBondContact OG-OD2 3.43Å; S93-Y97 PolarHBondContact O-N 3.37Å
94	D	71.6	Confident	67.8	Low	136 Å²	136	118 Å²	118	73%	0.727	59%	0.594	S	S	*	*	H	α-helix	trans	-54.9	-26	175.7	-67.8	-28.7	0	0	0	110.9	Y97 M98	D94-Y97 PolarHBondContact O-N 2.94Å; D94-M98 VanDerWaalsContact O-CB 3.29Å; D94-M98 WeakPolarHBondContact O-CB 3.33Å; D94-M98 WeakPolarHBondContact O-CG 3.49Å; D94-M98 PolarHBondContact O-N 3.29Å
95	R	70.4	Confident	68.2	Low	215 Å²	215	118.6 Å²	118.6	81%	0.811	59%	0.59	S	S	*	*	H	α-helix	trans	-64.6	-38	172.9	-173.3	174.3	171.3	178.3	-3.4	113.3	S93 G99	S93-R95 PolarHBondContact O-N 2.95Å; R95-G99 PolarHBondContact O-N 3.44Å
96	D	74.1	Confident	68.6	Low	104 Å²	104	119.9 Å²	119.9	56%	0.556	59%	0.585	S	S	*	*	H	α-helix	trans	-72	-37.3	176.2	-56.1	-44.2	0	0	0	111.2	S93 W100	S93-D96 WeakPolarHBondContact CB-OD2 3.22Å; S93-D96 PolarHBondContact N-OD2 2.88Å; S93-D96 WeakPolarHBondContact O-CB 3.29Å; S93-D96 PolarHBondContact O-N 3.19Å; S93-D96 PolarHBondContact OG-N 2.83Å; S93-D96 PolarHBondContact OG-OD1 3.01Å; S93-D96 PolarHBondContact OG-OD2 3.43Å; D96-W100 PolarHBondContact O-N 3.36Å; D96-W100 VanDerWaalsContact O-N 3.16Å
97	Y	74.6	Confident	68.7	Low	141 Å²	141	117.9 Å²	117.9	55%	0.553	58%	0.583	S	S	*	*	H	α-helix	trans	-72.1	-44.3	177.9	-171.2	-101.2	0	0	0	112.4	S93 D94 W100 M101	S93-Y97 PolarHBondContact O-N 3.37Å; D94-Y97 PolarHBondContact O-N 2.94Å; Y97-W100 PolarHBondContact O-N 3.2Å; Y97-M101 HydrophobicContact CD1-CE 3.71Å; Y97-M101 HydrophobicContact CD1-SD 4.38Å; Y97-M101 HydrophobicContact CE1-CE 3.66Å; Y97-M101 HydrophobicContact CE1-SD 3.83Å; Y97-M101 PolarHBondContact O-N 2.92Å
98	M	72	Confident	68.8	Low	108 Å²	108	117.1 Å²	117.1	53%	0.532	59%	0.59	S	S	.	*	H	α-helix	trans	-67.3	-39.2	174.7	-68.8	-137.9	74.5	0	0	111.9	D94 W100 M101 D102	D94-M98 VanDerWaalsContact O-CB 3.29Å; D94-M98 WeakPolarHBondContact O-CB 3.33Å; D94-M98 WeakPolarHBondContact O-CG 3.49Å; D94-M98 PolarHBondContact O-N 3.29Å; M98-W100 VanDerWaalsContact C-N 3.29Å; M98-W100 PolarHBondContact O-N 3.43Å; M98-M101 HydrophobicContact CE-CE 4.04Å; M98-M101 HydrophobicContact CG-CE 4.18Å; M98-M101 PolarHBondContact O-N 3.16Å; M98-D102 PolarHBondContact O-N 3.4Å
99	G	78.8	Confident	68.7	Low	26 Å²	26	118.4 Å²	118.4	27%	0.268	59%	0.587	S	S	.	*	H	α-helix	trans	-61.4	-35.1	175.9	0	0	0	0	0	113.3	R95 F103	R95-G99 PolarHBondContact O-N 3.44Å; G99-F103 WeakPolarHBondContact O-CD2 3.4Å
100	W	80.5	Confident	68.6	Low	187 Å²	187	121.3 Å²	121.3	71%	0.708	59%	0.589	S	S	*	*	H	α-helix	trans	-67.4	-40.9	173.5	167.1	-95.8	0	0	0	113	D96 Y97 M98 D102 F103	D96-W100 PolarHBondContact O-N 3.36Å; D96-W100 VanDerWaalsContact O-N 3.16Å; Y97-W100 PolarHBondContact O-N 3.2Å; M98-W100 VanDerWaalsContact C-N 3.29Å; M98-W100 PolarHBondContact O-N 3.43Å; W100-D102 VanDerWaalsContact C-N 3.27Å; W100-D102 PolarHBondContact O-N 3.34Å; W100-F103 HydrophobicContact CE3-CD2 4.39Å; W100-F103 WeakPolarHBondContact O-CD2 3.37Å; W100-F103 PolarHBondContact O-N 3.13Å
101	M	78.6	Confident	68.6	Low	97 Å²	97	124.1 Å²	124.1	48%	0.478	60%	0.595	S	S	.	*	H	α-helix	trans	-67.9	-27.6	179.2	-69.1	-170.4	-67.4	0	0	113.1	Y97 M98 F103	Y97-M101 HydrophobicContact CD1-CE 3.71Å; Y97-M101 HydrophobicContact CD1-SD 4.38Å; Y97-M101 HydrophobicContact CE1-CE 3.66Å; Y97-M101 HydrophobicContact CE1-SD 3.83Å; Y97-M101 PolarHBondContact O-N 2.92Å; M98-M101 HydrophobicContact CE-CE 4.04Å; M98-M101 HydrophobicContact CG-CE 4.18Å; M98-M101 PolarHBondContact O-N 3.16Å; M101-F103 VanDerWaalsContact C-N 3.34Å; M101-F103 PolarHBondContact O-N 3.49Å
102	D	75.1	Confident	68.5	Low	47 Å²	47	124 Å²	124	25%	0.251	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	-5.9	-178.8	-85.7	-31.7	0	0	0	114.5	M98 W100 G104 R105 R106	M98-D102 PolarHBondContact O-N 3.4Å; W100-D102 VanDerWaalsContact C-N 3.27Å; W100-D102 PolarHBondContact O-N 3.34Å; D102-G104 VanDerWaalsContact C-N 3.25Å; D102-G104 PolarHBondContact O-N 3.48Å; D102-R105 PolarHBondContact O-N 2.6Å; D102-R105 VanDerWaalsContact O-N 3.13Å; D102-R105 IonicContact OD1-CZ 3.9Å; D102-R105 IonicContact OD1-NH1 2.83Å; D102-R105 PolarHBondContact OD1-NH1 3.29Å; D102-R106 PolarHBondContact O-N 3.48Å; D102-R106 VanDerWaalsContact O-N 3.1Å
103	F	66.8	Low	67.8	Low	130 Å²	130	127.3 Å²	127.3	57%	0.57	61%	0.609	S	S	*	*	H	α-helix	trans	-56.7	-39	175	-89.2	-86.1	0	0	0	112.2	G99 W100 M101 R105 R106 S107	G99-F103 WeakPolarHBondContact O-CD2 3.4Å; W100-F103 HydrophobicContact CE3-CD2 4.39Å; W100-F103 WeakPolarHBondContact O-CD2 3.37Å; W100-F103 PolarHBondContact O-N 3.13Å; M101-F103 VanDerWaalsContact C-N 3.34Å; M101-F103 PolarHBondContact O-N 3.49Å; F103-R105 VanDerWaalsContact C-N 3.28Å; F103-R105 PolarHBondContact O-N 3.23Å; F103-R106 PolarHBondContact O-N 3.5Å; F103-S107 PolarHBondContact O-N 3.03Å; F103-S107 VanDerWaalsContact O-N 3.16Å; F103-S107 PolarHBondContact O-OG 3.16Å
104	G	72.4	Confident	67.2	Low	65 Å²	65	130.7 Å²	130.7	67%	0.67	63%	0.629	S	S	*	*	H	α-helix	trans	-69.7	-20.9	179.7	0	0	0	0	0	114.7	D102	D102-G104 VanDerWaalsContact C-N 3.25Å; D102-G104 PolarHBondContact O-N 3.48Å
105	R	66.1	Low	66.3	Low	165 Å²	165	132.9 Å²	132.9	62%	0.623	66%	0.655	S	S	*	*	H	α-helix	trans	-86.9	-42	175.5	-78.4	176.1	59.2	-129.4	-2.6	111.6	D102 F103 A108	D102-R105 PolarHBondContact O-N 2.6Å; D102-R105 VanDerWaalsContact O-N 3.13Å; D102-R105 IonicContact OD1-CZ 3.9Å; D102-R105 IonicContact OD1-NH1 2.83Å; D102-R105 PolarHBondContact OD1-NH1 3.29Å; F103-R105 VanDerWaalsContact C-N 3.28Å; F103-R105 PolarHBondContact O-N 3.23Å; R105-A108 PolarHBondContact O-N 3.1Å
106	R	64.6	Low	66.1	Low	155 Å²	155	128.8 Å²	128.8	59%	0.585	65%	0.648	S	S	*	*	H	α-helix	trans	-68.6	-34.5	-178.4	-72.2	176.1	159.9	172.6	-5.3	114	D102 F103 A108 E109	D102-R106 PolarHBondContact O-N 3.48Å; D102-R106 VanDerWaalsContact O-N 3.1Å; F103-R106 PolarHBondContact O-N 3.5Å; R106-A108 PolarHBondContact O-N 3.37Å; R106-E109 WeakPolarHBondContact CA-OE1 3.41Å; R106-E109 WeakPolarHBondContact O-CG 3.32Å; R106-E109 PolarHBondContact O-N 3.25Å
107	S	60.8	Low	65.7	Low	92 Å²	92	130.1 Å²	130.1	64%	0.643	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-8.9	178.9	-55.5	0	0	0	0	114.3	F103	F103-S107 PolarHBondContact O-N 3.03Å; F103-S107 VanDerWaalsContact O-N 3.16Å; F103-S107 PolarHBondContact O-OG 3.16Å
108	A	59.3	Low	65.2	Low	83 Å²	83	129.4 Å²	129.4	69%	0.686	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-7.5	-178.7	0	0	0	0	0	113.6	R105 R106	R105-A108 PolarHBondContact O-N 3.1Å; R106-A108 PolarHBondContact O-N 3.37Å
109	E	58.6	Low	64.8	Low	131 Å²	131	130.7 Å²	130.7	61%	0.612	67%	0.665	S	S	*	*	S	Bend	trans	-106.9	3.2	-174.1	42.9	-167.4	166.1	0	0	114	R106	R106-E109 WeakPolarHBondContact CA-OE1 3.41Å; R106-E109 WeakPolarHBondContact O-CG 3.32Å; R106-E109 PolarHBondContact O-N 3.25Å
110	E	57.5	Low	63.9	Low	167 Å²	167	137.3 Å²	137.3	78%	0.78	69%	0.69	S	S	*	*	S	Bend	trans	-105	13.6	-178.9	-75.6	162.9	179.5	0	0	114.9
111	Y	56.9	Low	62.8	Low	207 Å²	207	133.9 Å²	133.9	81%	0.812	69%	0.689	S	S	*	*			trans	-111.5	48.9	174.3	-138.6	-88.6	0	0	0	112.3	Y113	Y111-Y113 PolarHBondContact O-N 3.26Å
112	E	61.3	Low	61.7	Low	184 Å²	184	136.6 Å²	136.6	86%	0.86	70%	0.704	S	S	*	*			trans	-81.4	98.9	164.2	-161.3	146.8	-149.1	0	0	108.3	P114	E112-P114 WeakPolarHBondContact O-CD 3.37Å
113	Y	52.3	Low	60.7	Low	188 Å²	188	143.5 Å²	143.5	74%	0.737	74%	0.739	S	S	*	*			trans	-66.3	116.3	174.8	-172.1	-89	0	0	0	108.6	Y111 S115	Y111-Y113 PolarHBondContact O-N 3.26Å; Y113-S115 PolarHBondContact O-N 3.25Å
114	P	58.3	Low	60.2	Low	116 Å²	116	144.6 Å²	144.6	75%	0.753	75%	0.753	S	S	*	*			trans	-69.4	121.2	174.2	27.6	-29.8	0	0	0	108.6	E112	E112-P114 WeakPolarHBondContact O-CD 3.37Å
115	S	53.7	Low	59	Low	182 Å²	182	151.8 Å²	151.8	100%	1.273	76%	0.76	S	S	*	*			trans	-72.5	0	172.3	61.9	0	0	0	0	112.2	Y113	Y113-S115 PolarHBondContact O-N 3.25Å

Retrieved 115 of 115 residues in 87.6 ms (Link to these results)

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