A0A087Y987_POEFO Loading...

Histone H2A

AlphaFold DB (B5X5L7), UniProt , Accession A0A087Y987, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 128 aa.

						>A0A087Y987_POEFO|A0A087Y987
MAGGKAGKDSGKTKTKAISRSQRAGLQFPVGRIHRHLKSRTTSHGRVGATAAVYSAAILEYLTAEVLELAGNASKDLKVKRITPRHLQLAIRGDEELDSLIKATIAGGGVIPHIHKSLIGKKGQQKTV
					

Structure Viewer

Loading PAE data...

(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	51.4	Low	51.8	Low	249 Å²	249	129.4 Å²	129.4	100%	1.227	86%	0.855	S	S	*	*				0	101.3	0	-77.4	-87.7	-163.9	0	0	108.8
2	A	44.5	Very low	53.1	Low	104 Å²	104	133.5 Å²	133.5	86%	0.86	85%	0.848	S	S	*	*			trans	-169.1	89.9	157.4	0	0	0	0	0	107.1	G4	A2-G4 PolarHBondContact O-N 3.1Å
3	G	45.2	Very low	54.8	Low	85 Å²	85	133.8 Å²	133.8	88%	0.876	85%	0.848	S	S	*	*			trans	-66.6	117.5	177.4	0	0	0	0	0	110.8	K5	G3-K5 PolarHBondContact O-N 3.28Å
4	G	46.6	Very low	56.6	Low	78 Å²	78	138.3 Å²	138.3	80%	0.804	85%	0.848	S	S	*	*			trans	-68.7	111.7	166.5	0	0	0	0	0	109.4	A2 A6	A2-G4 PolarHBondContact O-N 3.1Å; G4-A6 PolarHBondContact O-N 2.84Å
5	K	47.5	Very low	58.5	Low	208 Å²	208	137.9 Å²	137.9	90%	0.904	85%	0.846	S	S	*	*			trans	-50.1	105.1	176.2	-125.8	173.6	-177.8	173.9	0	109.7	G3 G7	G3-K5 PolarHBondContact O-N 3.28Å; K5-G7 PolarHBondContact O-N 3.03Å; K5-G7 VanDerWaalsContact O-N 3.07Å
6	A	53.1	Low	60.6	Low	95 Å²	95	141.3 Å²	141.3	79%	0.785	85%	0.845	S	S	*	*			trans	-61.1	111.7	165.5	0	0	0	0	0	107.5	G4 K8	G4-A6 PolarHBondContact O-N 2.84Å; A6-K8 PolarHBondContact O-N 3.3Å; A6-K8 VanDerWaalsContact O-N 3.13Å
7	G	53.7	Low	62.4	Low	69 Å²	69	138.7 Å²	138.7	71%	0.711	84%	0.843	S	S	*	*			trans	-54.3	118.3	174.6	0	0	0	0	0	109.1	K5 D9	K5-G7 PolarHBondContact O-N 3.03Å; K5-G7 VanDerWaalsContact O-N 3.07Å; G7-D9 PolarHBondContact O-N 3.23Å
8	K	51.5	Low	64.3	Low	199 Å²	199	135.6 Å²	135.6	87%	0.865	82%	0.82	S	S	*	*			trans	-65.8	93.7	176.4	-160.6	176.6	-171.4	178.5	0	107.3	A6 S10	A6-K8 PolarHBondContact O-N 3.3Å; A6-K8 VanDerWaalsContact O-N 3.13Å; K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 3.43Å
9	D	55.5	Low	66	Low	163 Å²	163	131.7 Å²	131.7	87%	0.872	80%	0.799	S	S	*	*			trans	-62.8	96.6	168	-94.8	-29.1	0	0	0	107.6	G7	G7-D9 PolarHBondContact O-N 3.23Å
10	S	58.1	Low	67.6	Low	86 Å²	86	129.3 Å²	129.3	60%	0.601	78%	0.775	S	S	*	*			trans	-58.9	134.9	175.6	47	0	0	0	0	109.1	K8 K12	K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 3.43Å; S10-K12 PolarHBondContact O-N 2.74Å
11	G	62.4	Low	69	Low	87 Å²	87	124 Å²	124	90%	0.897	74%	0.744	S	S	*	*			trans	-67.9	60.5	-171.9	0	0	0	0	0	114.8
12	K	68.2	Low	71.3	Confident	179 Å²	179	118.8 Å²	118.8	78%	0.778	72%	0.717	S	S	*	*			trans	-78.8	125.4	163.7	-72.1	-177.5	179.1	179.3	0	108	S10 K14	S10-K12 PolarHBondContact O-N 2.74Å; K12-K14 PolarHBondContact O-N 2.97Å
13	T	75.1	Confident	73.8	Confident	137 Å²	137	122.4 Å²	122.4	84%	0.84	71%	0.708	S	S	*	*			trans	-50.5	115.4	173.5	-29.3	0	0	0	0	108.7	T15	T13-T15 PolarHBondContact O-N 3Å; T13-T15 VanDerWaalsContact O-N 3.14Å
14	K	80.1	Confident	76.3	Confident	197 Å²	197	120.3 Å²	120.3	86%	0.857	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-58.7	122.7	178.5	-74.6	-176.8	179.4	176.8	0	108.1	K12	K12-K14 PolarHBondContact O-N 2.97Å
15	T	84.4	Confident	78.7	Confident	132 Å²	132	119.6 Å²	119.6	81%	0.81	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-58.4	141.1	174.1	49.1	0	0	0	0	109.1	T13 A17	T13-T15 PolarHBondContact O-N 3Å; T13-T15 VanDerWaalsContact O-N 3.14Å; T15-A17 PolarHBondContact O-N 3.2Å; T15-A17 VanDerWaalsContact O-N 3.16Å
16	K	91.7	Very high	81.2	Confident	193 Å²	193	110.9 Å²	110.9	84%	0.839	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-55.8	124.6	179.8	-174.8	176.5	-179.8	178	0	108.9	I18	K16-I18 PolarHBondContact O-N 3.42Å
17	A	92.8	Very high	83.3	Confident	97 Å²	97	114.3 Å²	114.3	80%	0.802	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-63.4	121.5	178.6	0	0	0	0	0	109.9	T15	T15-A17 PolarHBondContact O-N 3.2Å; T15-A17 VanDerWaalsContact O-N 3.16Å
18	I	96	Very high	85.5	Confident	83 Å²	83	113.7 Å²	113.7	43%	0.426	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-101.7	126.9	172.4	-58.6	174.5	0	0	0	107.6	K16 Q22 R23	K16-I18 PolarHBondContact O-N 3.42Å; I18-Q22 HydrophobicContact CG2-CB 4.06Å; I18-Q22 HydrophobicContact CG2-CG 4.08Å; I18-R23 HydrophobicContact CG2-CB 4.11Å
19	S	97	Very high	87.7	Confident	62 Å²	62	106.3 Å²	106.3	43%	0.434	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-65.4	153.5	178.8	80	0	0	0	0	111.1	S21 Q22 R23	S19-S21 PolarHBondContact O-N 2.82Å; S19-Q22 PolarHBondContact O-N 3.16Å; S19-Q22 VanDerWaalsContact OG-CB 3.31Å; S19-Q22 WeakPolarHBondContact OG-CB 3.41Å; S19-Q22 PolarHBondContact OG-N 2.74Å; S19-R23 WeakPolarHBondContact O-CB 3.39Å; S19-R23 PolarHBondContact O-N 2.9Å
20	R	97.4	Very high	89.8	Confident	82 Å²	82	98.6 Å²	98.6	31%	0.309	55%	0.547	S	S	.	.	H	α-helix	trans	-60.9	-34	176.6	-70.5	175.1	64.2	-173.5	1.2	112.5	A24 V30 H34 A49	R20-A24 WeakPolarHBondContact O-CB 3.1Å; R20-A24 PolarHBondContact O-N 3.42Å; R20-A24 VanDerWaalsContact O-N 3.14Å; R20-V30 HydrophobicContact CB-CB 3.99Å; R20-V30 HydrophobicContact CB-CG1 3.86Å; R20-H34 VanDerWaalsContact NH1-CG 3.31Å; R20-H34 PolarHBondContact NH1-ND1 2.93Å; R20-A49 PolarHBondContact NH2-O 2.81Å
21	S	98	Very high	91.6	Very high	18 Å²	18	96.5 Å²	96.5	13%	0.126	54%	0.539	C	S	.	.	H	α-helix	trans	-64.9	-52.4	174.9	-65.3	0	0	0	0	111.4	S19 R23 A24 G25 L26 F28 P29 V30	S19-S21 PolarHBondContact O-N 2.82Å; S21-R23 VanDerWaalsContact C-N 3.3Å; S21-R23 PolarHBondContact O-N 3.34Å; S21-A24 CarbonylContact O-C 3.47Å; S21-A24 PolarHBondContact O-N 3.48Å; S21-G25 PolarHBondContact O-N 2.81Å; S21-L26 CarbonylContact C-O 3.59Å; S21-L26 WeakPolarHBondContact CB-O 3.33Å; S21-L26 PolarHBondContact O-N 3.49Å; S21-F28 WeakPolarHBondContact CB-O 3.29Å; S21-F28 PolarHBondContact OG-O 3.15Å; S21-P29 WeakPolarHBondContact OG-CA 3.47Å; S21-V30 PolarHBondContact OG-N 2.67Å
22	Q	98	Very high	93.4	Very high	140 Å²	140	99.5 Å²	99.5	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-61.7	-39.4	178.9	-176	-179.9	-24.7	0	0	111.7	I18 S19 A24 G25	I18-Q22 HydrophobicContact CG2-CB 4.06Å; I18-Q22 HydrophobicContact CG2-CG 4.08Å; S19-Q22 PolarHBondContact O-N 3.16Å; S19-Q22 VanDerWaalsContact OG-CB 3.31Å; S19-Q22 WeakPolarHBondContact OG-CB 3.41Å; S19-Q22 PolarHBondContact OG-N 2.74Å; Q22-A24 PolarHBondContact O-N 2.98Å; Q22-G25 PolarHBondContact O-N 2.73Å
23	R	97.4	Very high	94.8	Very high	181 Å²	181	91.9 Å²	91.9	68%	0.683	49%	0.491	S	S	*	.	H	α-helix	trans	-63.6	-30.4	175.5	-170.7	178.1	-62.1	161.1	2.8	112.8	I18 S19 S21	I18-R23 HydrophobicContact CG2-CB 4.11Å; S19-R23 WeakPolarHBondContact O-CB 3.39Å; S19-R23 PolarHBondContact O-N 2.9Å; S21-R23 VanDerWaalsContact C-N 3.3Å; S21-R23 PolarHBondContact O-N 3.34Å
24	A	97.8	Very high	95.9	Very high	41 Å²	41	86.9 Å²	86.9	34%	0.339	46%	0.458	S	S	.	.	H	α-helix	trans	-92.3	-2.6	178.6	0	0	0	0	0	113.6	R20 S21 Q22 L26 V53	R20-A24 WeakPolarHBondContact O-CB 3.1Å; R20-A24 PolarHBondContact O-N 3.42Å; R20-A24 VanDerWaalsContact O-N 3.14Å; S21-A24 CarbonylContact O-C 3.47Å; S21-A24 PolarHBondContact O-N 3.48Å; Q22-A24 PolarHBondContact O-N 2.98Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 HydrophobicContact CB-CD1 4.09Å; A24-L26 HydrophobicContact CB-CG 4.14Å; A24-V53 HydrophobicContact CB-CG1 3.77Å
25	G	98.3	Very high	96.7	Very high	62 Å²	62	85 Å²	85	64%	0.639	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	23.9	-176.3	0	0	0	0	0	114.5	S21 Q22	S21-G25 PolarHBondContact O-N 2.81Å; Q22-G25 PolarHBondContact O-N 2.73Å
26	L	98.5	Very high	97.3	Very high	25 Å²	25	83.1 Å²	83.1	13%	0.131	43%	0.428	C	S	.	.			trans	-107	143.1	-176.5	-62.8	175.7	0	0	0	111.6	S21 A24 V30 V53 A56 A57 E60	S21-L26 CarbonylContact C-O 3.59Å; S21-L26 WeakPolarHBondContact CB-O 3.33Å; S21-L26 PolarHBondContact O-N 3.49Å; A24-L26 VanDerWaalsContact C-N 3.32Å; A24-L26 HydrophobicContact CB-CD1 4.09Å; A24-L26 HydrophobicContact CB-CG 4.14Å; L26-V30 HydrophobicContact CD1-CG2 3.94Å; L26-V53 HydrophobicContact CD1-CG1 4.09Å; L26-A56 HydrophobicContact CD1-CB 3.79Å; L26-A57 HydrophobicContact CD1-CB 4.18Å; L26-A57 HydrophobicContact CD2-CB 3.96Å; L26-E60 WeakPolarHBondContact CB-OE2 3.39Å
27	Q	98.6	Very high	97.6	Very high	167 Å²	167	76.5 Å²	76.5	78%	0.78	40%	0.401	S	S	*	.	S	Bend	trans	-77.6	-33.2	167.9	-58.3	-55.5	-37.1	0	0	111.6	E60	Q27-E60 WeakPolarHBondContact CA-OE2 3.26Å; Q27-E60 VanDerWaalsContact N-CD 3.35Å; Q27-E60 PolarHBondContact N-OE1 3.32Å; Q27-E60 VanDerWaalsContact N-OE1 3.16Å; Q27-E60 PolarHBondContact N-OE2 2.87Å
28	F	98.4	Very high	97.7	Very high	57 Å²	57	77.8 Å²	77.8	25%	0.25	39%	0.388	C	S	.	.	S	Bend	trans	-68.9	144.9	-178.9	-92.5	-130.9	0	0	0	112.1	S21 V30 I33 A56 L59 E60 T63	S21-F28 WeakPolarHBondContact CB-O 3.29Å; S21-F28 PolarHBondContact OG-O 3.15Å; F28-V30 PolarHBondContact O-N 2.96Å; F28-I33 HydrophobicContact CB-CD1 4.47Å; F28-I33 HydrophobicContact CD1-CD1 4.43Å; F28-A56 HydrophobicContact CB-CB 4.24Å; F28-L59 HydrophobicContact CD1-CB 3.68Å; F28-L59 HydrophobicContact CE1-CB 3.64Å; F28-E60 HydrophobicContact CB-CB 4.2Å; F28-E60 WeakPolarHBondContact CB-OE2 3.32Å; F28-E60 HydrophobicContact CD2-CB 3.75Å; F28-E60 HydrophobicContact CD2-CG 3.89Å; F28-E60 HydrophobicContact CE2-CB 4.28Å; F28-E60 HydrophobicContact CE2-CG 4.4Å; F28-E60 HydrophobicContact CG-CB 3.9Å; F28-E60 HydrophobicContact CG-CG 4.47Å; F28-E60 PolarHBondContact N-OE2 3.4Å; F28-T63 HydrophobicContact CE2-CG2 4.3Å; F28-T63 HydrophobicContact CZ-CG2 4.09Å; F28-T63 VanDerWaalsContact CZ-OG1 3.26Å; F28-T63 WeakPolarHBondContact CZ-OG1 3.41Å
29	P	98.3	Very high	97.7	Very high	44 Å²	44	78 Å²	78	29%	0.286	40%	0.397	S	S	.	.			trans	-80.9	89.5	-171.1	32.3	-36.5	0	0	0	112.7	S21 G31 R32 I33	S21-P29 WeakPolarHBondContact OG-CA 3.47Å; P29-G31 VanDerWaalsContact C-N 3.26Å; P29-G31 PolarHBondContact O-N 3.44Å; P29-R32 HydrophobicContact CB-CB 3.9Å; P29-R32 HydrophobicContact CG-CB 4Å; P29-R32 WeakPolarHBondContact O-CB 3.06Å; P29-R32 PolarHBondContact O-N 2.91Å; P29-I33 PolarHBondContact O-N 3.26Å
30	V	98.5	Very high	97.6	Very high	0 Å²	0	85.6 Å²	85.6	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-53	-41.5	-180	176	0	0	0	0	112.1	R20 S21 L26 F28 R32 I33 H34 A52 V53 A56	R20-V30 HydrophobicContact CB-CB 3.99Å; R20-V30 HydrophobicContact CB-CG1 3.86Å; S21-V30 PolarHBondContact OG-N 2.67Å; L26-V30 HydrophobicContact CD1-CG2 3.94Å; F28-V30 PolarHBondContact O-N 2.96Å; V30-R32 PolarHBondContact O-N 3.38Å; V30-I33 PolarHBondContact O-N 3.49Å; V30-H34 WeakPolarHBondContact O-CB 3.29Å; V30-H34 PolarHBondContact O-N 3.41Å; V30-A52 HydrophobicContact CG1-CB 4.23Å; V30-V53 HydrophobicContact CG1-CG2 3.78Å; V30-A56 HydrophobicContact CG2-CB 3.85Å
31	G	97.8	Very high	97.5	Very high	43 Å²	43	84.4 Å²	84.4	44%	0.443	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-39.6	179.3	0	0	0	0	0	113.3	P29 R35	P29-G31 VanDerWaalsContact C-N 3.26Å; P29-G31 PolarHBondContact O-N 3.44Å; G31-R35 PolarHBondContact O-N 2.87Å
32	R	98.3	Very high	97.2	Very high	149 Å²	149	88.9 Å²	88.9	56%	0.562	45%	0.445	S	S	*	.	H	α-helix	trans	-68.8	-44.8	177.5	-176	-176.1	-65.1	157.3	-0.6	110.7	P29 V30 H34 R35 H36	P29-R32 HydrophobicContact CB-CB 3.9Å; P29-R32 HydrophobicContact CG-CB 4Å; P29-R32 WeakPolarHBondContact O-CB 3.06Å; P29-R32 PolarHBondContact O-N 2.91Å; V30-R32 PolarHBondContact O-N 3.38Å; R32-H34 VanDerWaalsContact C-N 3.35Å; R32-H34 PolarHBondContact O-N 2.97Å; R32-R35 WeakPolarHBondContact O-CB 3.32Å; R32-R35 PolarHBondContact O-N 3.47Å; R32-H36 PolarHBondContact O-N 2.65Å
33	I	98.1	Very high	96.7	Very high	20 Å²	20	87.6 Å²	87.6	10%	0.103	45%	0.452	C	S	.	.	H	α-helix	trans	-62.1	-44.3	178.1	-68.6	167.2	0	0	0	110.4	F28 P29 V30 R35 H36 L37 A52 A56 L59	F28-I33 HydrophobicContact CB-CD1 4.47Å; F28-I33 HydrophobicContact CD1-CD1 4.43Å; P29-I33 PolarHBondContact O-N 3.26Å; V30-I33 PolarHBondContact O-N 3.49Å; I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.39Å; I33-H36 PolarHBondContact O-N 3.36Å; I33-H36 VanDerWaalsContact O-N 3.11Å; I33-L37 HydrophobicContact CG2-CD1 4.15Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.3Å; I33-L37 PolarHBondContact O-N 3.15Å; I33-A52 HydrophobicContact CG2-CB 4.42Å; I33-A56 HydrophobicContact CD1-CB 3.49Å; I33-A56 VanDerWaalsContact CD1-CB 3.49Å; I33-L59 HydrophobicContact CD1-CD1 3.98Å
34	H	98	Very high	96.4	Very high	32 Å²	32	87.4 Å²	87.4	15%	0.148	46%	0.458	C	S	.	.	H	α-helix	trans	-57.8	-41.7	175.1	-174.6	-112.6	0	0	0	112.9	R20 V30 R32 L37 K38 A52	R20-H34 VanDerWaalsContact NH1-CG 3.31Å; R20-H34 PolarHBondContact NH1-ND1 2.93Å; V30-H34 WeakPolarHBondContact O-CB 3.29Å; V30-H34 PolarHBondContact O-N 3.41Å; R32-H34 VanDerWaalsContact C-N 3.35Å; R32-H34 PolarHBondContact O-N 2.97Å; H34-L37 PolarHBondContact O-N 3.37Å; H34-K38 PolarHBondContact O-N 2.98Å; H34-A52 HydrophobicContact CB-CB 3.46Å; H34-A52 VanDerWaalsContact CB-CB 3.46Å
35	R	97.6	Very high	96.2	Very high	156 Å²	156	86.8 Å²	86.8	59%	0.589	46%	0.456	S	S	*	.	H	α-helix	trans	-62.3	-44.4	174.8	-176	-173.6	65.9	-169	3.3	111.4	G31 R32 I33 K38 S39	G31-R35 PolarHBondContact O-N 2.87Å; R32-R35 WeakPolarHBondContact O-CB 3.32Å; R32-R35 PolarHBondContact O-N 3.47Å; I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.39Å; R35-K38 PolarHBondContact O-N 3.06Å; R35-S39 PolarHBondContact O-N 2.99Å; R35-S39 VanDerWaalsContact O-N 3.11Å
36	H	97.6	Very high	96.1	Very high	94 Å²	94	95 Å²	95	44%	0.435	47%	0.468	S	S	.	.	H	α-helix	trans	-66.1	-37.9	177.9	-66.9	178.5	0	0	0	112.4	R32 I33 K38 S39 R40	R32-H36 PolarHBondContact O-N 2.65Å; I33-H36 PolarHBondContact O-N 3.36Å; I33-H36 VanDerWaalsContact O-N 3.11Å; H36-K38 VanDerWaalsContact C-N 3.32Å; H36-K38 PolarHBondContact O-N 2.9Å; H36-S39 WeakPolarHBondContact CA-OG 3.19Å; H36-S39 PolarHBondContact O-N 3.45Å; H36-S39 PolarHBondContact O-OG 2.99Å; H36-R40 VanDerWaalsContact O-CG 3.26Å; H36-R40 WeakPolarHBondContact O-CG 3.41Å; H36-R40 PolarHBondContact O-N 3.46Å
37	L	97.1	Very high	96.1	Very high	54 Å²	54	95.2 Å²	95.2	28%	0.283	47%	0.469	S	S	.	.	H	α-helix	trans	-61.7	-41.6	173.6	-71.2	174.2	0	0	0	111.1	I33 H34 S39 R40 T41 V47 A52	I33-L37 HydrophobicContact CG2-CD1 4.15Å; I33-L37 HydrophobicContact CG2-CG 4.37Å; I33-L37 WeakPolarHBondContact O-CG 3.3Å; I33-L37 PolarHBondContact O-N 3.15Å; H34-L37 PolarHBondContact O-N 3.37Å; L37-S39 VanDerWaalsContact C-N 3.33Å; L37-S39 PolarHBondContact O-N 3.18Å; L37-R40 PolarHBondContact O-N 3.41Å; L37-R40 VanDerWaalsContact O-N 3.16Å; L37-T41 PolarHBondContact O-N 3.44Å; L37-V47 HydrophobicContact CB-CG1 3.86Å; L37-V47 HydrophobicContact CB-CG2 3.95Å; L37-V47 HydrophobicContact CD1-CG1 4.04Å; L37-A52 HydrophobicContact CD1-CB 4.01Å
38	K	95.9	Very high	95.9	Very high	123 Å²	123	89.3 Å²	89.3	54%	0.535	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-35.4	176.2	-79.2	-168.6	162.7	-165.7	0	113.2	H34 R35 H36 R40 T41 V47	H34-K38 PolarHBondContact O-N 2.98Å; R35-K38 PolarHBondContact O-N 3.06Å; H36-K38 VanDerWaalsContact C-N 3.32Å; H36-K38 PolarHBondContact O-N 2.9Å; K38-R40 VanDerWaalsContact C-N 3.25Å; K38-R40 PolarHBondContact O-N 3.45Å; K38-T41 VanDerWaalsContact O-CG2 3.24Å; K38-T41 WeakPolarHBondContact O-CG2 3.15Å; K38-V47 HydrophobicContact CB-CG2 4.46Å; K38-V47 HydrophobicContact CG-CB 4.07Å; K38-V47 HydrophobicContact CG-CG2 3.81Å
39	S	95.5	Very high	95.3	Very high	88 Å²	88	90 Å²	90	62%	0.615	47%	0.47	S	S	*	.	H	α-helix	trans	-76.3	-11.7	176.1	58.6	0	0	0	0	114	R35 H36 L37	R35-S39 PolarHBondContact O-N 2.99Å; R35-S39 VanDerWaalsContact O-N 3.11Å; H36-S39 WeakPolarHBondContact CA-OG 3.19Å; H36-S39 PolarHBondContact O-N 3.45Å; H36-S39 PolarHBondContact O-OG 2.99Å; L37-S39 VanDerWaalsContact C-N 3.33Å; L37-S39 PolarHBondContact O-N 3.18Å
40	R	95.4	Very high	95.3	Very high	222 Å²	222	93.2 Å²	93.2	84%	0.838	49%	0.489	S	S	*	.	H	α-helix	trans	-105.5	-3.4	-179.4	-67.4	-69.2	-169.2	-154.4	1.8	113.1	H36 L37 K38	H36-R40 VanDerWaalsContact O-CG 3.26Å; H36-R40 WeakPolarHBondContact O-CG 3.41Å; H36-R40 PolarHBondContact O-N 3.46Å; L37-R40 PolarHBondContact O-N 3.41Å; L37-R40 VanDerWaalsContact O-N 3.16Å; K38-R40 VanDerWaalsContact C-N 3.25Å; K38-R40 PolarHBondContact O-N 3.45Å
41	T	94.1	Very high	95.3	Very high	56 Å²	56	95.1 Å²	95.1	34%	0.344	50%	0.504	S	S	.	.	S	Bend	trans	-78.7	161.6	177.5	-155.5	0	0	0	0	110.8	L37 K38 G45	L37-T41 PolarHBondContact O-N 3.44Å; K38-T41 VanDerWaalsContact O-CG2 3.24Å; K38-T41 WeakPolarHBondContact O-CG2 3.15Å; T41-G45 WeakPolarHBondContact CG2-O 3.47Å; T41-G45 VanDerWaalsContact OG1-CA 3.32Å; T41-G45 WeakPolarHBondContact OG1-CA 3.33Å
42	T	92.4	Very high	95.3	Very high	112 Å²	112	93 Å²	93	69%	0.687	48%	0.483	S	S	*	.			trans	-69.3	169.6	176.1	59	0	0	0	0	110.7	H44 G45	T42-H44 PolarHBondContact O-N 3.13Å; T42-G45 PolarHBondContact O-N 3.46Å
43	S	87.2	Confident	95.3	Very high	114 Å²	114	88.1 Å²	88.1	80%	0.797	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-39.7	-169.4	-171.5	0	0	0	0	115.6
44	H	91.7	Very high	95.3	Very high	176 Å²	176	95.5 Å²	95.5	82%	0.815	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	14.9	-179.9	-62.6	90.2	0	0	0	112.5	T42	T42-H44 PolarHBondContact O-N 3.13Å
45	G	93.8	Very high	95.3	Very high	28 Å²	28	95.8 Å²	95.8	29%	0.289	50%	0.503	S	S	.	.			trans	-70.1	138.1	-176	0	0	0	0	0	112.3	T41 T42	T41-G45 WeakPolarHBondContact CG2-O 3.47Å; T41-G45 VanDerWaalsContact OG1-CA 3.32Å; T41-G45 WeakPolarHBondContact OG1-CA 3.33Å; T42-G45 PolarHBondContact O-N 3.46Å
46	R	95.9	Very high	95.4	Very high	236 Å²	236	88.3 Å²	88.3	89%	0.891	48%	0.475	S	S	*	.			trans	-106.1	146.1	176	-64.7	176	61.6	85.1	-3	109.4
47	V	97.1	Very high	95.4	Very high	28 Å²	28	85.7 Å²	85.7	17%	0.17	47%	0.469	C	S	.	.			trans	-108.1	123.1	172.9	179.8	0	0	0	0	108.5	L37 K38 A51	L37-V47 HydrophobicContact CB-CG1 3.86Å; L37-V47 HydrophobicContact CB-CG2 3.95Å; L37-V47 HydrophobicContact CD1-CG1 4.04Å; K38-V47 HydrophobicContact CB-CG2 4.46Å; K38-V47 HydrophobicContact CG-CB 4.07Å; K38-V47 HydrophobicContact CG-CG2 3.81Å; V47-A51 HydrophobicContact CG1-CB 4.27Å
48	G	95.8	Very high	95.5	Very high	43 Å²	43	86.9 Å²	86.9	44%	0.443	48%	0.475	S	S	.	.			trans	-63.5	148.2	175.3	0	0	0	0	0	112	T50 A51	G48-T50 VanDerWaalsContact C-N 3.29Å; G48-T50 PolarHBondContact O-N 2.92Å; G48-A51 WeakPolarHBondContact O-CB 3.5Å; G48-A51 PolarHBondContact O-N 3.45Å
49	A	85.8	Confident	95.6	Very high	72 Å²	72	84.9 Å²	84.9	60%	0.595	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-37	-177.6	0	0	0	0	0	112.8	R20	R20-A49 PolarHBondContact NH2-O 2.81Å
50	T	97.1	Very high	95.8	Very high	111 Å²	111	82.7 Å²	82.7	68%	0.681	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-23.5	179.8	51.2	0	0	0	0	113.3	G48 A52 V53 Y54	G48-T50 VanDerWaalsContact C-N 3.29Å; G48-T50 PolarHBondContact O-N 2.92Å; T50-A52 VanDerWaalsContact C-N 3.28Å; T50-A52 PolarHBondContact O-N 3.29Å; T50-V53 WeakPolarHBondContact O-CA 3.5Å; T50-V53 WeakPolarHBondContact O-CB 3.28Å; T50-V53 PolarHBondContact O-N 3.34Å; T50-Y54 PolarHBondContact O-N 2.82Å
51	A	98.1	Very high	95.9	Very high	40 Å²	40	78.7 Å²	78.7	33%	0.331	44%	0.436	S	S	.	.	H	α-helix	trans	-55.6	-44.5	179.8	0	0	0	0	0	111.7	V47 G48 V53 Y54 S55	V47-A51 HydrophobicContact CG1-CB 4.27Å; G48-A51 WeakPolarHBondContact O-CB 3.5Å; G48-A51 PolarHBondContact O-N 3.45Å; A51-V53 VanDerWaalsContact C-N 3.32Å; A51-V53 PolarHBondContact O-N 2.93Å; A51-Y54 PolarHBondContact O-N 3.5Å; A51-S55 PolarHBondContact O-N 3.23Å; A51-S55 PolarHBondContact O-OG 3.33Å; A51-S55 VanDerWaalsContact O-OG 3.08Å
52	A	97.9	Very high	96.2	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-69.3	-27.2	177.6	0	0	0	0	0	114.1	V30 I33 H34 L37 T50 A56	V30-A52 HydrophobicContact CG1-CB 4.23Å; I33-A52 HydrophobicContact CG2-CB 4.42Å; H34-A52 HydrophobicContact CB-CB 3.46Å; H34-A52 VanDerWaalsContact CB-CB 3.46Å; L37-A52 HydrophobicContact CD1-CB 4.01Å; T50-A52 VanDerWaalsContact C-N 3.28Å; T50-A52 PolarHBondContact O-N 3.29Å; A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 3.43Å; A52-A56 VanDerWaalsContact O-N 3.09Å
53	V	98.4	Very high	96.5	Very high	45 Å²	45	76.2 Å²	76.2	27%	0.273	42%	0.418	S	S	.	.	H	α-helix	trans	-69.6	-46.5	173.5	177.9	0	0	0	0	108.9	A24 L26 V30 T50 A51 A56 A57	A24-V53 HydrophobicContact CB-CG1 3.77Å; L26-V53 HydrophobicContact CD1-CG1 4.09Å; V30-V53 HydrophobicContact CG1-CG2 3.78Å; T50-V53 WeakPolarHBondContact O-CA 3.5Å; T50-V53 WeakPolarHBondContact O-CB 3.28Å; T50-V53 PolarHBondContact O-N 3.34Å; A51-V53 VanDerWaalsContact C-N 3.32Å; A51-V53 PolarHBondContact O-N 2.93Å; V53-A56 WeakPolarHBondContact O-CB 3.36Å; V53-A56 PolarHBondContact O-N 3.04Å; V53-A57 PolarHBondContact O-N 3.32Å
54	Y	98.8	Very high	97	Very high	176 Å²	176	73.5 Å²	73.5	69%	0.69	40%	0.402	S	S	*	.	H	α-helix	trans	-62.4	-47	179.3	-153.2	-89.2	0	0	0	111.8	T50 A51 A56 A57 I58	T50-Y54 PolarHBondContact O-N 2.82Å; A51-Y54 PolarHBondContact O-N 3.5Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; Y54-A56 PolarHBondContact O-N 3.21Å; Y54-A57 PolarHBondContact O-N 3.39Å; Y54-I58 HydrophobicContact CD1-CD1 3.55Å; Y54-I58 HydrophobicContact CD1-CG1 4.23Å; Y54-I58 HydrophobicContact CE1-CD1 3.62Å; Y54-I58 HydrophobicContact CE1-CG1 4.25Å; Y54-I58 WeakPolarHBondContact O-CG1 3.36Å; Y54-I58 PolarHBondContact O-N 3.17Å
55	S	98.5	Very high	97.3	Very high	37 Å²	37	68.4 Å²	68.4	26%	0.259	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-38.4	174.8	-56.6	0	0	0	0	112.4	A51 L59	A51-S55 PolarHBondContact O-N 3.23Å; A51-S55 PolarHBondContact O-OG 3.33Å; A51-S55 VanDerWaalsContact O-OG 3.08Å; S55-L59 WeakPolarHBondContact O-CB 3.32Å; S55-L59 WeakPolarHBondContact O-CG 3.36Å; S55-L59 PolarHBondContact O-N 3.36Å; S55-L59 VanDerWaalsContact O-N 3.11Å
56	A	98.6	Very high	97.6	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-43.1	176.4	0	0	0	0	0	112.1	L26 F28 V30 I33 A52 V53 Y54 L59 E60	L26-A56 HydrophobicContact CD1-CB 3.79Å; F28-A56 HydrophobicContact CB-CB 4.24Å; V30-A56 HydrophobicContact CG2-CB 3.85Å; I33-A56 HydrophobicContact CD1-CB 3.49Å; I33-A56 VanDerWaalsContact CD1-CB 3.49Å; A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 3.43Å; A52-A56 VanDerWaalsContact O-N 3.09Å; V53-A56 WeakPolarHBondContact O-CB 3.36Å; V53-A56 PolarHBondContact O-N 3.04Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; Y54-A56 PolarHBondContact O-N 3.21Å; A56-L59 PolarHBondContact O-N 3.19Å; A56-E60 WeakPolarHBondContact O-CB 3.44Å; A56-E60 PolarHBondContact O-N 2.96Å
57	A	98.8	Very high	97.7	Very high	38 Å²	38	61.1 Å²	61.1	31%	0.314	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-44	177.8	0	0	0	0	0	112.2	L26 V53 Y54 L59 E60 Y61	L26-A57 HydrophobicContact CD1-CB 4.18Å; L26-A57 HydrophobicContact CD2-CB 3.96Å; V53-A57 PolarHBondContact O-N 3.32Å; Y54-A57 PolarHBondContact O-N 3.39Å; A57-L59 PolarHBondContact O-N 2.81Å; A57-E60 PolarHBondContact O-N 3.25Å; A57-Y61 WeakPolarHBondContact O-CB 3.49Å; A57-Y61 PolarHBondContact O-N 3.41Å
58	I	98.8	Very high	97.8	Very high	79 Å²	79	65.1 Å²	65.1	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176.5	-68.2	165.9	0	0	0	111.1	Y54 E60 Y61 L62	Y54-I58 HydrophobicContact CD1-CD1 3.55Å; Y54-I58 HydrophobicContact CD1-CG1 4.23Å; Y54-I58 HydrophobicContact CE1-CD1 3.62Å; Y54-I58 HydrophobicContact CE1-CG1 4.25Å; Y54-I58 WeakPolarHBondContact O-CG1 3.36Å; Y54-I58 PolarHBondContact O-N 3.17Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 3.28Å; I58-Y61 PolarHBondContact O-N 2.8Å; I58-L62 HydrophobicContact CG2-CD1 3.97Å; I58-L62 HydrophobicContact CG2-CG 4.49Å; I58-L62 WeakPolarHBondContact O-CG 3.14Å; I58-L62 PolarHBondContact O-N 3.45Å
59	L	98.8	Very high	97.9	Very high	82 Å²	82	65.4 Å²	65.4	43%	0.429	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-38.6	-179.9	-68.7	172.2	0	0	0	111.7	F28 I33 S55 A56 A57 T63	F28-L59 HydrophobicContact CD1-CB 3.68Å; F28-L59 HydrophobicContact CE1-CB 3.64Å; I33-L59 HydrophobicContact CD1-CD1 3.98Å; S55-L59 WeakPolarHBondContact O-CB 3.32Å; S55-L59 WeakPolarHBondContact O-CG 3.36Å; S55-L59 PolarHBondContact O-N 3.36Å; S55-L59 VanDerWaalsContact O-N 3.11Å; A56-L59 PolarHBondContact O-N 3.19Å; A57-L59 PolarHBondContact O-N 2.81Å; L59-T63 WeakPolarHBondContact O-CB 3.41Å; L59-T63 PolarHBondContact O-N 3.34Å; L59-T63 VanDerWaalsContact O-N 3.07Å; L59-T63 PolarHBondContact O-OG1 2.97Å
60	E	98.8	Very high	98.5	Very high	42 Å²	42	62 Å²	62	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-45.1	175.4	-173.4	164.5	147.8	0	0	111.6	L26 Q27 F28 A56 A57 I58 T63 A64	L26-E60 WeakPolarHBondContact CB-OE2 3.39Å; Q27-E60 WeakPolarHBondContact CA-OE2 3.26Å; Q27-E60 VanDerWaalsContact N-CD 3.35Å; Q27-E60 PolarHBondContact N-OE1 3.32Å; Q27-E60 VanDerWaalsContact N-OE1 3.16Å; Q27-E60 PolarHBondContact N-OE2 2.87Å; F28-E60 HydrophobicContact CB-CB 4.2Å; F28-E60 WeakPolarHBondContact CB-OE2 3.32Å; F28-E60 HydrophobicContact CD2-CB 3.75Å; F28-E60 HydrophobicContact CD2-CG 3.89Å; F28-E60 HydrophobicContact CE2-CB 4.28Å; F28-E60 HydrophobicContact CE2-CG 4.4Å; F28-E60 HydrophobicContact CG-CB 3.9Å; F28-E60 HydrophobicContact CG-CG 4.47Å; F28-E60 PolarHBondContact N-OE2 3.4Å; A56-E60 WeakPolarHBondContact O-CB 3.44Å; A56-E60 PolarHBondContact O-N 2.96Å; A57-E60 PolarHBondContact O-N 3.25Å; I58-E60 VanDerWaalsContact C-N 3.31Å; I58-E60 PolarHBondContact O-N 3.28Å; E60-T63 PolarHBondContact O-N 3.18Å; E60-A64 WeakPolarHBondContact O-CB 3.31Å; E60-A64 PolarHBondContact O-N 3.09Å
61	Y	98.7	Very high	98.6	Very high	138 Å²	138	57.4 Å²	57.4	54%	0.541	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-53.9	176.8	169.6	-113.4	0	0	0	111.9	A57 I58 T63 A64 E65	A57-Y61 WeakPolarHBondContact O-CB 3.49Å; A57-Y61 PolarHBondContact O-N 3.41Å; I58-Y61 PolarHBondContact O-N 2.8Å; Y61-T63 VanDerWaalsContact C-N 3.25Å; Y61-T63 PolarHBondContact O-N 3.48Å; Y61-A64 WeakPolarHBondContact O-CB 3.39Å; Y61-A64 PolarHBondContact O-N 3.19Å; Y61-A64 VanDerWaalsContact O-N 3.1Å; Y61-E65 PolarHBondContact O-N 2.98Å
62	L	98.6	Very high	98.6	Very high	58 Å²	58	58.1 Å²	58.1	30%	0.304	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-35.2	178.9	-68.3	171.5	0	0	0	112.2	I58 V66 L100	I58-L62 HydrophobicContact CG2-CD1 3.97Å; I58-L62 HydrophobicContact CG2-CG 4.49Å; I58-L62 WeakPolarHBondContact O-CG 3.14Å; I58-L62 PolarHBondContact O-N 3.45Å; L62-V66 WeakPolarHBondContact O-CG2 3.35Å; L62-V66 PolarHBondContact O-N 3.47Å; L62-L100 HydrophobicContact CD1-CD2 4.38Å; L62-L100 HydrophobicContact CD2-CD2 3.99Å
63	T	98.8	Very high	98.6	Very high	58 Å²	58	58.9 Å²	58.9	36%	0.356	31%	0.31	S	S	.	.	H	α-helix	trans	-66.8	-42.4	175.8	-59.1	0	0	0	0	111.1	F28 L59 E60 Y61 L67	F28-T63 HydrophobicContact CE2-CG2 4.3Å; F28-T63 HydrophobicContact CZ-CG2 4.09Å; F28-T63 VanDerWaalsContact CZ-OG1 3.26Å; F28-T63 WeakPolarHBondContact CZ-OG1 3.41Å; L59-T63 WeakPolarHBondContact O-CB 3.41Å; L59-T63 PolarHBondContact O-N 3.34Å; L59-T63 VanDerWaalsContact O-N 3.07Å; L59-T63 PolarHBondContact O-OG1 2.97Å; E60-T63 PolarHBondContact O-N 3.18Å; Y61-T63 VanDerWaalsContact C-N 3.25Å; Y61-T63 PolarHBondContact O-N 3.48Å; T63-L67 HydrophobicContact CG2-CD1 3.8Å; T63-L67 HydrophobicContact CG2-CG 4.34Å; T63-L67 WeakPolarHBondContact O-CB 3.38Å; T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 2.95Å
64	A	98.6	Very high	98.6	Very high	56 Å²	56	57 Å²	57	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-45.6	176.9	0	0	0	0	0	111.3	E60 Y61 V66 L67 E68	E60-A64 WeakPolarHBondContact O-CB 3.31Å; E60-A64 PolarHBondContact O-N 3.09Å; Y61-A64 WeakPolarHBondContact O-CB 3.39Å; Y61-A64 PolarHBondContact O-N 3.19Å; Y61-A64 VanDerWaalsContact O-N 3.1Å; A64-V66 PolarHBondContact O-N 2.92Å; A64-L67 PolarHBondContact O-N 2.95Å; A64-E68 WeakPolarHBondContact O-CB 3.4Å; A64-E68 PolarHBondContact O-N 3.26Å
65	E	98.4	Very high	98.5	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-50.6	179.6	-162.4	63.9	-135.2	0	0	111.9	Y61 L67 E68 L69	Y61-E65 PolarHBondContact O-N 2.98Å; E65-L67 VanDerWaalsContact C-N 3.33Å; E65-L67 PolarHBondContact O-N 2.84Å; E65-E68 PolarHBondContact O-N 3.39Å; E65-L69 PolarHBondContact O-N 2.9Å
66	V	98.6	Very high	98.4	Very high	23 Å²	23	59.7 Å²	59.7	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-39.4	178.4	174.5	0	0	0	0	111.4	L62 A64 A70 L87 I91 L97 I101	L62-V66 WeakPolarHBondContact O-CG2 3.35Å; L62-V66 PolarHBondContact O-N 3.47Å; A64-V66 PolarHBondContact O-N 2.92Å; V66-A70 WeakPolarHBondContact O-CB 3.32Å; V66-A70 PolarHBondContact O-N 3.04Å; V66-L87 HydrophobicContact CG1-CD2 3.76Å; V66-I91 HydrophobicContact CG1-CD1 4.2Å; V66-I91 HydrophobicContact CG1-CG1 4.33Å; V66-L97 HydrophobicContact CG2-CD1 3.96Å; V66-L97 HydrophobicContact CG2-CD2 3.91Å; V66-I101 HydrophobicContact CG2-CD1 4.31Å
67	L	98.7	Very high	98.2	Very high	89 Å²	89	64.4 Å²	64.4	47%	0.466	34%	0.341	S	S	.	.	H	α-helix	trans	-70.8	-34.9	179.6	-74	176.4	0	0	0	112.8	T63 A64 E65 G71 I82	T63-L67 HydrophobicContact CG2-CD1 3.8Å; T63-L67 HydrophobicContact CG2-CG 4.34Å; T63-L67 WeakPolarHBondContact O-CB 3.38Å; T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 2.95Å; A64-L67 PolarHBondContact O-N 2.95Å; E65-L67 VanDerWaalsContact C-N 3.33Å; E65-L67 PolarHBondContact O-N 2.84Å; L67-G71 WeakPolarHBondContact O-CA 3.44Å; L67-G71 PolarHBondContact O-N 3.27Å; L67-I82 HydrophobicContact CD2-CD1 4.07Å
68	E	98.5	Very high	98.1	Very high	111 Å²	111	72 Å²	72	52%	0.519	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-54.7	176.3	-176.9	62.9	-151.3	0	0	109.9	A64 E65 A70 G71 N72	A64-E68 WeakPolarHBondContact O-CB 3.4Å; A64-E68 PolarHBondContact O-N 3.26Å; E65-E68 PolarHBondContact O-N 3.39Å; E68-A70 PolarHBondContact O-N 3.11Å; E68-G71 PolarHBondContact O-N 2.83Å; E68-N72 VanDerWaalsContact O-CG 3.31Å; E68-N72 PolarHBondContact O-N 3.44Å; E68-N72 PolarHBondContact O-ND2 3.16Å
69	L	98.4	Very high	98.1	Very high	49 Å²	49	71.4 Å²	71.4	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-43	180	-63	179.5	0	0	0	112.3	E65 G71 N72 A73 A90 D94 L97	E65-L69 PolarHBondContact O-N 2.9Å; L69-G71 VanDerWaalsContact C-N 3.3Å; L69-G71 PolarHBondContact O-N 3.47Å; L69-N72 PolarHBondContact O-N 3.2Å; L69-A73 PolarHBondContact O-N 3.44Å; L69-A90 HydrophobicContact CB-CB 3.7Å; L69-D94 HydrophobicContact CD1-CB 4.02Å; L69-L97 HydrophobicContact CD1-CD1 3.71Å
70	A	98.6	Very high	98	Very high	0 Å²	0	78 Å²	78	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-68	-31.6	176.2	0	0	0	0	0	112.4	V66 E68 S74 I82 H86 L87 A90	V66-A70 WeakPolarHBondContact O-CB 3.32Å; V66-A70 PolarHBondContact O-N 3.04Å; E68-A70 PolarHBondContact O-N 3.11Å; A70-S74 WeakPolarHBondContact O-CB 3.32Å; A70-S74 PolarHBondContact O-N 3.11Å; A70-I82 HydrophobicContact CB-CD1 4.21Å; A70-I82 HydrophobicContact CB-CG2 4Å; A70-H86 HydrophobicContact CB-CB 4.43Å; A70-L87 HydrophobicContact CB-CD2 3.85Å; A70-A90 HydrophobicContact CB-CB 4.03Å
71	G	98.7	Very high	98	Very high	15 Å²	15	85.7 Å²	85.7	16%	0.155	42%	0.419	C	S	.	.	H	α-helix	trans	-64.5	-42.9	172	0	0	0	0	0	111.6	L67 E68 L69 S74 K75	L67-G71 WeakPolarHBondContact O-CA 3.44Å; L67-G71 PolarHBondContact O-N 3.27Å; E68-G71 PolarHBondContact O-N 2.83Å; L69-G71 VanDerWaalsContact C-N 3.3Å; L69-G71 PolarHBondContact O-N 3.47Å; G71-S74 WeakPolarHBondContact O-CB 3.21Å; G71-S74 PolarHBondContact O-N 2.92Å; G71-K75 VanDerWaalsContact O-CG 3.32Å; G71-K75 WeakPolarHBondContact O-CG 3.24Å; G71-K75 PolarHBondContact O-N 3.18Å
72	N	98.3	Very high	98	Very high	56 Å²	56	82 Å²	82	30%	0.299	41%	0.408	S	S	.	.	H	α-helix	trans	-64	-47.1	175.2	-66.9	-22.1	0	0	0	111.2	E68 L69 S74 K75 D76	E68-N72 VanDerWaalsContact O-CG 3.31Å; E68-N72 PolarHBondContact O-N 3.44Å; E68-N72 PolarHBondContact O-ND2 3.16Å; L69-N72 PolarHBondContact O-N 3.2Å; N72-S74 VanDerWaalsContact C-N 3.27Å; N72-S74 PolarHBondContact O-N 3.35Å; N72-K75 WeakPolarHBondContact O-CB 3.44Å; N72-K75 PolarHBondContact O-N 3.44Å; N72-K75 PolarHBondContact OD1-NZ 3.5Å; N72-D76 VanDerWaalsContact O-CG 3.29Å; N72-D76 PolarHBondContact O-N 2.85Å
73	A	97.6	Very high	98	Very high	16 Å²	16	81.8 Å²	81.8	13%	0.132	41%	0.409	C	S	.	.	H	α-helix	trans	-58.3	-36.7	173.4	0	0	0	0	0	113.2	L69 L77 H86	L69-A73 PolarHBondContact O-N 3.44Å; A73-L77 PolarHBondContact O-N 3.08Å; A73-H86 HydrophobicContact CB-CB 4.24Å
74	S	98.4	Very high	98	Very high	4 Å²	4	82 Å²	82	3%	0.028	41%	0.411	C	S	.	.	H	α-helix	trans	-65.9	-42.3	174.3	-170.2	0	0	0	0	112.1	A70 G71 N72 L77 K78 V79 R81 H86	A70-S74 WeakPolarHBondContact O-CB 3.32Å; A70-S74 PolarHBondContact O-N 3.11Å; G71-S74 WeakPolarHBondContact O-CB 3.21Å; G71-S74 PolarHBondContact O-N 2.92Å; N72-S74 VanDerWaalsContact C-N 3.27Å; N72-S74 PolarHBondContact O-N 3.35Å; S74-L77 PolarHBondContact O-N 3.46Å; S74-K78 PolarHBondContact O-N 3.28Å; S74-V79 CarbonylContact C-O 3.54Å; S74-V79 WeakPolarHBondContact O-CG2 3.26Å; S74-V79 PolarHBondContact O-N 3.34Å; S74-V79 VanDerWaalsContact O-N 3.09Å; S74-V79 VanDerWaalsContact O-O 3.06Å; S74-V79 PolarHBondContact OG-O 3.38Å; S74-R81 PolarHBondContact OG-O 2.95Å; S74-H86 WeakPolarHBondContact CB-ND1 3.33Å; S74-H86 PolarHBondContact OG-ND1 3.42Å
75	K	98.1	Very high	97.9	Very high	139 Å²	139	82.7 Å²	82.7	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-65.3	-41.6	178.2	-72.1	168.9	-171.7	164.1	0	111.4	G71 N72 L77 K78	G71-K75 VanDerWaalsContact O-CG 3.32Å; G71-K75 WeakPolarHBondContact O-CG 3.24Å; G71-K75 PolarHBondContact O-N 3.18Å; N72-K75 WeakPolarHBondContact O-CB 3.44Å; N72-K75 PolarHBondContact O-N 3.44Å; N72-K75 PolarHBondContact OD1-NZ 3.5Å; K75-L77 PolarHBondContact O-N 2.7Å; K75-K78 WeakPolarHBondContact O-CA 3.4Å; K75-K78 PolarHBondContact O-N 3.28Å
76	D	95.6	Very high	97.9	Very high	132 Å²	132	79.8 Å²	79.8	71%	0.706	39%	0.389	S	S	*	.	H	α-helix	trans	-60.6	-36.1	178.4	-67.3	-17.5	0	0	0	111.8	N72 K78	N72-D76 VanDerWaalsContact O-CG 3.29Å; N72-D76 PolarHBondContact O-N 2.85Å; D76-K78 PolarHBondContact O-N 3Å
77	L	94.1	Very high	98	Very high	99 Å²	99	81.2 Å²	81.2	52%	0.518	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	7.3	174.5	-64.3	177.4	0	0	0	113.7	A73 S74 K75 V79 L89	A73-L77 PolarHBondContact O-N 3.08Å; S74-L77 PolarHBondContact O-N 3.46Å; K75-L77 PolarHBondContact O-N 2.7Å; L77-V79 HydrophobicContact CB-CG2 4.11Å; L77-V79 PolarHBondContact O-N 3.07Å; L77-L89 HydrophobicContact CD1-CD1 4.49Å
78	K	97.1	Very high	97.9	Very high	196 Å²	196	78 Å²	78	85%	0.852	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	33	177.7	-56.4	-179	-178.7	178.3	0	113.9	S74 K75 D76	S74-K78 PolarHBondContact O-N 3.28Å; K75-K78 WeakPolarHBondContact O-CA 3.4Å; K75-K78 PolarHBondContact O-N 3.28Å; D76-K78 PolarHBondContact O-N 3Å
79	V	97.9	Very high	97.9	Very high	67 Å²	67	74.9 Å²	74.9	41%	0.406	36%	0.364	S	S	.	.			trans	-118	146.5	177.7	-68.6	0	0	0	0	111	S74 L77 H86	S74-V79 CarbonylContact C-O 3.54Å; S74-V79 WeakPolarHBondContact O-CG2 3.26Å; S74-V79 PolarHBondContact O-N 3.34Å; S74-V79 VanDerWaalsContact O-N 3.09Å; S74-V79 VanDerWaalsContact O-O 3.06Å; S74-V79 PolarHBondContact OG-O 3.38Å; L77-V79 HydrophobicContact CB-CG2 4.11Å; L77-V79 PolarHBondContact O-N 3.07Å; V79-H86 WeakPolarHBondContact CG2-CE1 3.4Å
80	K	97.2	Very high	97.9	Very high	221 Å²	221	72.9 Å²	72.9	96%	0.961	36%	0.355	S	S	*	.	S	Bend	trans	-84.4	-20.2	-173.1	-64.6	-173.8	179.1	-178.7	0	114.5
81	R	98.6	Very high	97.9	Very high	204 Å²	204	73.3 Å²	73.3	77%	0.77	36%	0.357	S	S	*	.	S	Bend	trans	-113.8	129.6	-172.1	-169.8	-177.5	-66	137.4	-0.7	110.5	S74 T83 H86	S74-R81 PolarHBondContact OG-O 2.95Å; R81-T83 PolarHBondContact O-N 2.88Å; R81-H86 PolarHBondContact O-CE1 2.86Å; R81-H86 PolarHBondContact O-ND1 3.1Å
82	I	98.7	Very high	97.9	Very high	60 Å²	60	75.2 Å²	75.2	31%	0.308	36%	0.359	S	S	.	.			trans	-63.4	130.7	170	-64.2	174.5	0	0	0	109.3	L67 A70 H86 L87	L67-I82 HydrophobicContact CD2-CD1 4.07Å; A70-I82 HydrophobicContact CB-CD1 4.21Å; A70-I82 HydrophobicContact CB-CG2 4Å; I82-H86 WeakPolarHBondContact CA-ND1 3.21Å; I82-H86 HydrophobicContact CG2-CB 4.24Å; I82-L87 HydrophobicContact CG2-CD2 4.2Å; I82-L87 HydrophobicContact CG2-CG 4.04Å
83	T	98.5	Very high	97.8	Very high	53 Å²	53	75.6 Å²	75.6	33%	0.325	38%	0.377	S	S	.	.			trans	-116	166.5	177.3	66.5	0	0	0	0	110	R81 R85 H86 L87	R81-T83 PolarHBondContact O-N 2.88Å; T83-R85 PolarHBondContact O-N 3.05Å; T83-R85 VanDerWaalsContact O-N 3.15Å; T83-R85 PolarHBondContact OG1-N 2.9Å; T83-H86 PolarHBondContact N-ND1 2.83Å; T83-H86 VanDerWaalsContact N-ND1 3.13Å; T83-H86 PolarHBondContact O-N 3.46Å; T83-H86 PolarHBondContact OG1-CE1 3.17Å; T83-H86 PolarHBondContact OG1-N 3.01Å; T83-H86 PolarHBondContact OG1-ND1 3.27Å; T83-H86 PolarHBondContact OG1-NE2 3.33Å; T83-L87 PolarHBondContact O-N 3.11Å
84	P	98.7	Very high	97.9	Very high	63 Å²	63	77.1 Å²	77.1	41%	0.409	38%	0.383	S	S	.	.	H	α-helix	trans	-55.2	-30.3	172.7	-26.7	35.7	0	0	0	113.5	L87 Q88 I105 A106	P84-L87 PolarHBondContact O-N 3.21Å; P84-Q88 WeakPolarHBondContact O-CB 3.5Å; P84-Q88 PolarHBondContact O-N 3.49Å; P84-I105 HydrophobicContact CB-CG2 4.34Å; P84-A106 VanDerWaalsContact CB-O 3.29Å; P84-A106 WeakPolarHBondContact CB-O 3.44Å
85	R	98.3	Very high	97.8	Very high	71 Å²	71	85 Å²	85	27%	0.268	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-44.4	173.5	-179.9	56.7	176.7	175.7	0.4	112	T83 L87 Q88 L89 G108 V110	T83-R85 PolarHBondContact O-N 3.05Å; T83-R85 VanDerWaalsContact O-N 3.15Å; T83-R85 PolarHBondContact OG1-N 2.9Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.44Å; R85-Q88 PolarHBondContact O-N 3.05Å; R85-L89 HydrophobicContact CG-CD1 4.18Å; R85-L89 HydrophobicContact CG-CG 4.42Å; R85-L89 VanDerWaalsContact O-CG 3.3Å; R85-L89 WeakPolarHBondContact O-CG 3.33Å; R85-L89 PolarHBondContact O-N 3.09Å; R85-G108 WeakPolarHBondContact CD-O 3.4Å; R85-G108 PolarHBondContact NH1-O 3.19Å; R85-V110 VanDerWaalsContact CZ-O 3.23Å; R85-V110 VanDerWaalsContact NH1-N 3.14Å; R85-V110 PolarHBondContact NH1-O 3.34Å; R85-V110 PolarHBondContact NH2-O 3.23Å
86	H	98.6	Very high	97.9	Very high	8 Å²	8	85.6 Å²	85.6	4%	0.037	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-39.1	178.8	-52.5	151.1	0	0	0	111.5	A70 A73 S74 V79 R81 I82 T83 L89 A90	A70-H86 HydrophobicContact CB-CB 4.43Å; A73-H86 HydrophobicContact CB-CB 4.24Å; S74-H86 WeakPolarHBondContact CB-ND1 3.33Å; S74-H86 PolarHBondContact OG-ND1 3.42Å; V79-H86 WeakPolarHBondContact CG2-CE1 3.4Å; R81-H86 PolarHBondContact O-CE1 2.86Å; R81-H86 PolarHBondContact O-ND1 3.1Å; I82-H86 WeakPolarHBondContact CA-ND1 3.21Å; I82-H86 HydrophobicContact CG2-CB 4.24Å; T83-H86 PolarHBondContact N-ND1 2.83Å; T83-H86 VanDerWaalsContact N-ND1 3.13Å; T83-H86 PolarHBondContact O-N 3.46Å; T83-H86 PolarHBondContact OG1-CE1 3.17Å; T83-H86 PolarHBondContact OG1-N 3.01Å; T83-H86 PolarHBondContact OG1-ND1 3.27Å; T83-H86 PolarHBondContact OG1-NE2 3.33Å; H86-L89 PolarHBondContact O-N 3.38Å; H86-A90 VanDerWaalsContact O-CB 3.32Å; H86-A90 WeakPolarHBondContact O-CB 3.2Å; H86-A90 PolarHBondContact O-N 3.27Å
87	L	98.7	Very high	98	Very high	52 Å²	52	79.7 Å²	79.7	27%	0.272	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-44.6	173.5	-68.5	170.6	0	0	0	111.5	V66 A70 I82 T83 P84 R85 A90 I91 I105	V66-L87 HydrophobicContact CG1-CD2 3.76Å; A70-L87 HydrophobicContact CB-CD2 3.85Å; I82-L87 HydrophobicContact CG2-CD2 4.2Å; I82-L87 HydrophobicContact CG2-CG 4.04Å; T83-L87 PolarHBondContact O-N 3.11Å; P84-L87 PolarHBondContact O-N 3.21Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.44Å; L87-A90 PolarHBondContact O-N 3.3Å; L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 WeakPolarHBondContact O-CD1 3.43Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 2.91Å; L87-I105 HydrophobicContact CB-CD1 4.48Å
88	Q	98.5	Very high	98.2	Very high	22 Å²	22	77.3 Å²	77.3	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-43.2	177.4	-179	72.2	-11.5	0	0	112.3	P84 R85 R92 I105 G108 G109	P84-Q88 WeakPolarHBondContact O-CB 3.5Å; P84-Q88 PolarHBondContact O-N 3.49Å; R85-Q88 PolarHBondContact O-N 3.05Å; Q88-R92 HydrophobicContact CG-CG 4.24Å; Q88-R92 WeakPolarHBondContact O-CB 3.46Å; Q88-R92 VanDerWaalsContact O-CG 3.29Å; Q88-R92 WeakPolarHBondContact O-CG 3.34Å; Q88-R92 PolarHBondContact O-N 3.27Å; Q88-I105 HydrophobicContact CB-CD1 4.44Å; Q88-I105 VanDerWaalsContact OE1-CD1 3.31Å; Q88-G108 WeakPolarHBondContact CB-O 3.49Å; Q88-G108 WeakPolarHBondContact CG-O 3.35Å; Q88-G109 WeakPolarHBondContact CG-O 3.31Å; Q88-G109 PolarHBondContact NE2-O 3.21Å
89	L	97.9	Very high	98.2	Very high	45 Å²	45	72 Å²	72	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-44.1	177.4	-69.8	176.4	0	0	0	111.5	L77 R85 H86 G93 I111	L77-L89 HydrophobicContact CD1-CD1 4.49Å; R85-L89 HydrophobicContact CG-CD1 4.18Å; R85-L89 HydrophobicContact CG-CG 4.42Å; R85-L89 VanDerWaalsContact O-CG 3.3Å; R85-L89 WeakPolarHBondContact O-CG 3.33Å; R85-L89 PolarHBondContact O-N 3.09Å; H86-L89 PolarHBondContact O-N 3.38Å; L89-G93 WeakPolarHBondContact O-CA 3.46Å; L89-G93 PolarHBondContact O-N 3.26Å; L89-I111 HydrophobicContact CD2-CD1 3.6Å
90	A	98.1	Very high	98.3	Very high	8 Å²	8	74 Å²	74	7%	0.066	38%	0.376	C	S	.	.	H	α-helix	trans	-63.3	-51.1	177.6	0	0	0	0	0	112	L69 A70 H86 L87 G93 D94	L69-A90 HydrophobicContact CB-CB 3.7Å; A70-A90 HydrophobicContact CB-CB 4.03Å; H86-A90 VanDerWaalsContact O-CB 3.32Å; H86-A90 WeakPolarHBondContact O-CB 3.2Å; H86-A90 PolarHBondContact O-N 3.27Å; L87-A90 PolarHBondContact O-N 3.3Å; A90-G93 PolarHBondContact O-N 2.76Å; A90-D94 PolarHBondContact O-N 2.94Å
91	I	98.4	Very high	98.3	Very high	8 Å²	8	65.7 Å²	65.7	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-69.4	-39.2	-175.2	-68.2	165.3	0	0	0	111.8	V66 L87 G93 L97 D98 I101 I105	V66-I91 HydrophobicContact CG1-CD1 4.2Å; V66-I91 HydrophobicContact CG1-CG1 4.33Å; L87-I91 WeakPolarHBondContact O-CB 3.47Å; L87-I91 WeakPolarHBondContact O-CD1 3.43Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 2.91Å; I91-G93 VanDerWaalsContact C-N 3.35Å; I91-L97 HydrophobicContact CG2-CB 4.31Å; I91-D98 WeakPolarHBondContact O-CA 3.49Å; I91-D98 PolarHBondContact O-N 3.04Å; I91-D98 VanDerWaalsContact O-N 3.15Å; I91-I101 HydrophobicContact CD1-CD1 3.8Å; I91-I101 HydrophobicContact CG1-CD1 4.05Å; I91-I101 HydrophobicContact CG2-CB 3.95Å; I91-I101 HydrophobicContact CG2-CD1 4.18Å; I91-I101 HydrophobicContact CG2-CG2 4.29Å; I91-I105 HydrophobicContact CB-CD1 4.48Å; I91-I105 HydrophobicContact CD1-CD1 3.52Å
92	R	98.4	Very high	98.3	Very high	55 Å²	55	62.6 Å²	62.6	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-83.1	-13.3	178.6	-57.1	-60.1	138.7	-156	-10.3	113.6	Q88 D98 I101 I111	Q88-R92 HydrophobicContact CG-CG 4.24Å; Q88-R92 WeakPolarHBondContact O-CB 3.46Å; Q88-R92 VanDerWaalsContact O-CG 3.29Å; Q88-R92 WeakPolarHBondContact O-CG 3.34Å; Q88-R92 PolarHBondContact O-N 3.27Å; R92-D98 WeakPolarHBondContact CD-OD1 3.32Å; R92-D98 IonicContact CZ-OD1 3.51Å; R92-D98 IonicContact NE-OD1 3.72Å; R92-D98 PolarHBondContact NH1-O 3.48Å; R92-D98 IonicContact NH1-OD1 2.65Å; R92-D98 PolarHBondContact NH1-OD1 3.04Å; R92-I101 VanDerWaalsContact CZ-O 3.25Å; R92-I101 PolarHBondContact NH1-O 2.97Å; R92-I101 PolarHBondContact NH2-O 3.01Å; R92-I111 HydrophobicContact CB-CD1 3.8Å; R92-I111 HydrophobicContact CB-CG1 3.49Å; R92-I111 VanDerWaalsContact CB-CG1 3.49Å; R92-I111 HydrophobicContact CG-CG1 4.41Å
93	G	96.9	Very high	98.3	Very high	65 Å²	65	63 Å²	63	67%	0.67	35%	0.346	S	S	*	.	H	α-helix	trans	-87.9	-12.2	175.6	0	0	0	0	0	113.6	L89 A90 I91	L89-G93 WeakPolarHBondContact O-CA 3.46Å; L89-G93 PolarHBondContact O-N 3.26Å; A90-G93 PolarHBondContact O-N 2.76Å; I91-G93 VanDerWaalsContact C-N 3.35Å
94	D	98.3	Very high	98.3	Very high	48 Å²	48	67.3 Å²	67.3	26%	0.257	37%	0.372	S	S	.	.	S	Bend	trans	-113.6	130.3	179.6	180	-95.6	0	0	0	110.8	L69 A90 E96 L97 D98	L69-D94 HydrophobicContact CD1-CB 4.02Å; A90-D94 PolarHBondContact O-N 2.94Å; D94-E96 PolarHBondContact OD1-N 2.79Å; D94-L97 HydrophobicContact CB-CB 4.14Å; D94-L97 HydrophobicContact CB-CD1 4.21Å; D94-L97 HydrophobicContact CB-CG 4.35Å; D94-L97 WeakPolarHBondContact OD1-CB 3.49Å; D94-L97 VanDerWaalsContact OD1-CG 3.31Å; D94-L97 WeakPolarHBondContact OD1-CG 3.45Å; D94-L97 PolarHBondContact OD1-N 3.16Å; D94-D98 WeakPolarHBondContact O-CB 3.24Å; D94-D98 PolarHBondContact O-N 2.96Å
95	E	98.1	Very high	98.3	Very high	169 Å²	169	66 Å²	66	79%	0.79	36%	0.361	S	S	*	.	H	α-helix	trans	-67.7	-41.4	-172.9	-176.2	175.8	-175.2	0	0	112.4	S99	E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.38Å
96	E	98.4	Very high	98.3	Very high	152 Å²	152	66.7 Å²	66.7	71%	0.71	38%	0.382	S	S	*	.	H	α-helix	trans	-71.7	-44	-176.5	-59.3	-170.8	143.5	0	0	110.7	D94 S99 L100	D94-E96 PolarHBondContact OD1-N 2.79Å; E96-S99 PolarHBondContact O-N 2.79Å; E96-L100 WeakPolarHBondContact O-CB 3.49Å; E96-L100 PolarHBondContact O-N 2.94Å
97	L	98.4	Very high	98.3	Very high	7 Å²	7	69.7 Å²	69.7	4%	0.037	42%	0.416	C	S	.	.	H	α-helix	trans	-69.6	-37.3	176	-66.4	179.7	0	0	0	112.5	V66 L69 I91 D94 S99 L100 I101	V66-L97 HydrophobicContact CG2-CD1 3.96Å; V66-L97 HydrophobicContact CG2-CD2 3.91Å; L69-L97 HydrophobicContact CD1-CD1 3.71Å; I91-L97 HydrophobicContact CG2-CB 4.31Å; D94-L97 HydrophobicContact CB-CB 4.14Å; D94-L97 HydrophobicContact CB-CD1 4.21Å; D94-L97 HydrophobicContact CB-CG 4.35Å; D94-L97 WeakPolarHBondContact OD1-CB 3.49Å; D94-L97 VanDerWaalsContact OD1-CG 3.31Å; D94-L97 WeakPolarHBondContact OD1-CG 3.45Å; D94-L97 PolarHBondContact OD1-N 3.16Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 3.02Å; L97-L100 PolarHBondContact O-N 2.66Å; L97-I101 HydrophobicContact CD2-CD1 4.45Å; L97-I101 WeakPolarHBondContact O-CB 3.47Å; L97-I101 PolarHBondContact O-N 3.33Å
98	D	98.2	Very high	98.2	Very high	50 Å²	50	67.3 Å²	67.3	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-44	173.9	179.8	77.5	0	0	0	110.1	I91 R92 D94 K102	I91-D98 WeakPolarHBondContact O-CA 3.49Å; I91-D98 PolarHBondContact O-N 3.04Å; I91-D98 VanDerWaalsContact O-N 3.15Å; R92-D98 WeakPolarHBondContact CD-OD1 3.32Å; R92-D98 IonicContact CZ-OD1 3.51Å; R92-D98 IonicContact NE-OD1 3.72Å; R92-D98 PolarHBondContact NH1-O 3.48Å; R92-D98 IonicContact NH1-OD1 2.65Å; R92-D98 PolarHBondContact NH1-OD1 3.04Å; D94-D98 WeakPolarHBondContact O-CB 3.24Å; D94-D98 PolarHBondContact O-N 2.96Å; D98-K102 VanDerWaalsContact O-CD 3.32Å; D98-K102 WeakPolarHBondContact O-CD 3.35Å; D98-K102 WeakPolarHBondContact O-CE 3.42Å; D98-K102 PolarHBondContact O-NZ 3.32Å; D98-K102 IonicContact OD2-NZ 2.81Å; D98-K102 PolarHBondContact OD2-NZ 3.04Å
99	S	98.4	Very high	98.2	Very high	83 Å²	83	68.6 Å²	68.6	58%	0.58	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-46.9	177.7	-171.4	0	0	0	0	112.1	E95 E96 L97 K102	E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.38Å; E96-S99 PolarHBondContact O-N 2.79Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 3.02Å; S99-K102 WeakPolarHBondContact O-CE 3.44Å
100	L	98.4	Very high	98.2	Very high	110 Å²	110	71.7 Å²	71.7	58%	0.576	44%	0.443	S	S	*	.	H	α-helix	trans	-70	-44.6	-177.9	179	61.6	0	0	0	113	L62 E96 L97	L62-L100 HydrophobicContact CD1-CD2 4.38Å; L62-L100 HydrophobicContact CD2-CD2 3.99Å; E96-L100 WeakPolarHBondContact O-CB 3.49Å; E96-L100 PolarHBondContact O-N 2.94Å; L97-L100 PolarHBondContact O-N 2.66Å
101	I	98.3	Very high	98.1	Very high	46 Å²	46	74.7 Å²	74.7	24%	0.236	46%	0.458	C	S	.	.			trans	-102.9	100.4	-171.7	-55.5	173.2	0	0	0	108.3	V66 I91 R92 L97	V66-I101 HydrophobicContact CG2-CD1 4.31Å; I91-I101 HydrophobicContact CD1-CD1 3.8Å; I91-I101 HydrophobicContact CG1-CD1 4.05Å; I91-I101 HydrophobicContact CG2-CB 3.95Å; I91-I101 HydrophobicContact CG2-CD1 4.18Å; I91-I101 HydrophobicContact CG2-CG2 4.29Å; R92-I101 VanDerWaalsContact CZ-O 3.25Å; R92-I101 PolarHBondContact NH1-O 2.97Å; R92-I101 PolarHBondContact NH2-O 3.01Å; L97-I101 HydrophobicContact CD2-CD1 4.45Å; L97-I101 WeakPolarHBondContact O-CB 3.47Å; L97-I101 PolarHBondContact O-N 3.33Å
102	K	98.3	Very high	98	Very high	140 Å²	140	79.3 Å²	79.3	61%	0.609	49%	0.488	S	S	*	.			trans	-100.4	-0.7	174.2	-60.3	-58	-176.1	-169.2	0	114.3	D98 S99	D98-K102 VanDerWaalsContact O-CD 3.32Å; D98-K102 WeakPolarHBondContact O-CD 3.35Å; D98-K102 WeakPolarHBondContact O-CE 3.42Å; D98-K102 PolarHBondContact O-NZ 3.32Å; D98-K102 IonicContact OD2-NZ 2.81Å; D98-K102 PolarHBondContact OD2-NZ 3.04Å; S99-K102 WeakPolarHBondContact O-CE 3.44Å
103	A	98.5	Very high	97.8	Very high	69 Å²	69	83.9 Å²	83.9	57%	0.57	51%	0.511	S	S	*	.	S	Bend	trans	-65.9	146.8	177.3	0	0	0	0	0	112.2	I105	A103-I105 PolarHBondContact O-N 3.31Å
104	T	98.5	Very high	97.8	Very high	143 Å²	143	86.2 Å²	86.2	88%	0.877	51%	0.507	S	S	*	.			trans	-69.8	127.4	173.1	-54.4	0	0	0	0	110.9	A106	T104-A106 PolarHBondContact O-N 2.91Å
105	I	98.4	Very high	97.7	Very high	35 Å²	35	89.6 Å²	89.6	18%	0.179	52%	0.521	C	S	.	.			trans	-92	101.8	173.6	-53.6	-172.1	0	0	0	108.9	P84 L87 Q88 I91 A103 G107 G108	P84-I105 HydrophobicContact CB-CG2 4.34Å; L87-I105 HydrophobicContact CB-CD1 4.48Å; Q88-I105 HydrophobicContact CB-CD1 4.44Å; Q88-I105 VanDerWaalsContact OE1-CD1 3.31Å; I91-I105 HydrophobicContact CB-CD1 4.48Å; I91-I105 HydrophobicContact CD1-CD1 3.52Å; A103-I105 PolarHBondContact O-N 3.31Å; I105-G107 PolarHBondContact O-N 3.14Å; I105-G108 PolarHBondContact O-N 3.36Å
106	A	98.6	Very high	97.5	Very high	85 Å²	85	90.5 Å²	90.5	70%	0.702	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	128.5	177.9	0	0	0	0	0	110.9	P84 T104 G108	P84-A106 VanDerWaalsContact CB-O 3.29Å; P84-A106 WeakPolarHBondContact CB-O 3.44Å; T104-A106 PolarHBondContact O-N 2.91Å; A106-G108 VanDerWaalsContact C-N 3.26Å; A106-G108 PolarHBondContact O-N 3.02Å
107	G	98.1	Very high	97.3	Very high	72 Å²	72	87.8 Å²	87.8	74%	0.742	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	8.2	-175.4	0	0	0	0	0	115	I105	I105-G107 PolarHBondContact O-N 3.14Å
108	G	97.8	Very high	97.1	Very high	1 Å²	1	93.8 Å²	93.8	1%	0.01	55%	0.552	C	S	.	*			trans	-83.7	-28.2	-177.9	0	0	0	0	0	115.3	R85 Q88 I105 A106	R85-G108 WeakPolarHBondContact CD-O 3.4Å; R85-G108 PolarHBondContact NH1-O 3.19Å; Q88-G108 WeakPolarHBondContact CB-O 3.49Å; Q88-G108 WeakPolarHBondContact CG-O 3.35Å; I105-G108 PolarHBondContact O-N 3.36Å; A106-G108 VanDerWaalsContact C-N 3.26Å; A106-G108 PolarHBondContact O-N 3.02Å
109	G	97.8	Very high	96.8	Very high	50 Å²	50	96.5 Å²	96.5	52%	0.515	57%	0.565	S	S	.	*			trans	64.5	-150.4	-171.8	0	0	0	0	0	112.8	Q88	Q88-G109 WeakPolarHBondContact CG-O 3.31Å; Q88-G109 PolarHBondContact NE2-O 3.21Å
110	V	97.7	Very high	96.2	Very high	109 Å²	109	95.4 Å²	95.4	66%	0.661	57%	0.567	S	S	*	*			trans	-131.3	159	-177.3	-61.8	0	0	0	0	112.6	R85	R85-V110 VanDerWaalsContact CZ-O 3.23Å; R85-V110 VanDerWaalsContact NH1-N 3.14Å; R85-V110 PolarHBondContact NH1-O 3.34Å; R85-V110 PolarHBondContact NH2-O 3.23Å
111	I	96.1	Very high	95.1	Very high	72 Å²	72	100.1 Å²	100.1	37%	0.369	58%	0.583	S	S	.	*			trans	-62.2	127.5	168.6	-61.4	-55	0	0	0	108.3	L89 R92 H113	L89-I111 HydrophobicContact CD2-CD1 3.6Å; R92-I111 HydrophobicContact CB-CD1 3.8Å; R92-I111 HydrophobicContact CB-CG1 3.49Å; R92-I111 VanDerWaalsContact CB-CG1 3.49Å; R92-I111 HydrophobicContact CG-CG1 4.41Å; I111-H113 PolarHBondContact O-N 3Å; I111-H113 VanDerWaalsContact O-N 3.16Å
112	P	95.6	Very high	93.4	Very high	104 Å²	104	108.2 Å²	108.2	68%	0.675	62%	0.617	S	S	*	*			trans	-61.1	119.2	178.3	-22.4	34.6	0	0	0	110.7
113	H	95.9	Very high	91.6	Very high	151 Å²	151	104.8 Å²	104.8	70%	0.699	62%	0.621	S	S	*	*			trans	-149.2	131.1	178.5	-174.6	80.4	0	0	0	110.3	I111	I111-H113 PolarHBondContact O-N 3Å; I111-H113 VanDerWaalsContact O-N 3.16Å
114	I	96.4	Very high	89.6	Confident	115 Å²	115	110 Å²	110	59%	0.59	63%	0.633	S	S	*	*			trans	-122	122.4	173	-57.8	177	0	0	0	107.2	K116 L118 I119	I114-K116 PolarHBondContact O-N 3.21Å; I114-L118 HydrophobicContact CG2-CB 4.02Å; I114-I119 HydrophobicContact CB-CG1 4.42Å; I114-I119 HydrophobicContact CG2-CG1 3.82Å
115	H	95.9	Very high	87.5	Confident	118 Å²	118	112.5 Å²	112.5	55%	0.546	64%	0.635	S	S	.	*			trans	-60.6	134.7	178.3	-150.6	-90.5	0	0	0	109.8	S117 L118	H115-S117 PolarHBondContact ND1-OG 3.31Å; H115-S117 VanDerWaalsContact ND1-OG 3.1Å; H115-S117 PolarHBondContact O-N 3.16Å; H115-L118 HydrophobicContact CB-CD1 4.12Å; H115-L118 HydrophobicContact CB-CG 4.27Å; H115-L118 WeakPolarHBondContact O-CB 3.39Å; H115-L118 PolarHBondContact O-N 3Å
116	K	94.3	Very high	85.3	Confident	188 Å²	188	120 Å²	120	82%	0.817	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-54.9	-32.2	-171.5	-70.4	-178.7	-180	175.7	0	113.8	I114 L118 I119	I114-K116 PolarHBondContact O-N 3.21Å; K116-L118 PolarHBondContact O-N 3.07Å; K116-I119 PolarHBondContact O-N 2.94Å
117	S	94.5	Very high	82.8	Confident	95 Å²	95	122.6 Å²	122.6	66%	0.664	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-63.7	-22.2	176.4	48.9	0	0	0	0	114.2	H115	H115-S117 PolarHBondContact ND1-OG 3.31Å; H115-S117 VanDerWaalsContact ND1-OG 3.1Å; H115-S117 PolarHBondContact O-N 3.16Å
118	L	93.3	Very high	80.6	Confident	134 Å²	134	129 Å²	129	70%	0.702	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-94.4	-10.6	-179.2	-55.5	177.2	0	0	0	112.5	I114 H115 K116 G120	I114-L118 HydrophobicContact CG2-CB 4.02Å; H115-L118 HydrophobicContact CB-CD1 4.12Å; H115-L118 HydrophobicContact CB-CG 4.27Å; H115-L118 WeakPolarHBondContact O-CB 3.39Å; H115-L118 PolarHBondContact O-N 3Å; K116-L118 PolarHBondContact O-N 3.07Å; L118-G120 PolarHBondContact O-N 3.05Å
119	I	92.2	Very high	79.8	Confident	106 Å²	106	135.5 Å²	135.5	54%	0.544	73%	0.733	S	S	.	*	S	Bend	trans	-77.1	120.9	174.9	-57.8	176.7	0	0	0	107.1	I114 K116	I114-I119 HydrophobicContact CB-CG1 4.42Å; I114-I119 HydrophobicContact CG2-CG1 3.82Å; K116-I119 PolarHBondContact O-N 2.94Å
120	G	85.6	Confident	78.8	Confident	61 Å²	61	139.9 Å²	139.9	63%	0.629	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-50.6	142.3	178.8	0	0	0	0	0	111.7	L118 K122	L118-G120 PolarHBondContact O-N 3.05Å; G120-K122 PolarHBondContact O-N 3.14Å
121	K	75.4	Confident	77.8	Confident	209 Å²	209	141.7 Å²	141.7	91%	0.909	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-53.8	129.1	173.4	-75.2	-176.5	176.8	178.8	0	108.1	G123	K121-G123 VanDerWaalsContact C-N 3.25Å; K121-G123 PolarHBondContact O-N 3.26Å
122	K	62.9	Low	76.7	Confident	216 Å²	216	145.8 Å²	145.8	94%	0.939	77%	0.771	S	S	*	*			trans	-57.7	91.3	169.5	-83.3	-174.1	174.6	-178.5	0	108.7	G120	G120-K122 PolarHBondContact O-N 3.14Å
123	G	59.7	Low	75.5	Confident	67 Å²	67	148.4 Å²	148.4	69%	0.691	78%	0.777	S	S	*	*			trans	-87.5	107.2	168.3	0	0	0	0	0	108.5	K121	K121-G123 VanDerWaalsContact C-N 3.25Å; K121-G123 PolarHBondContact O-N 3.26Å
124	Q	56.7	Low	74.2	Confident	180 Å²	180	148.2 Å²	148.2	84%	0.841	78%	0.782	S	S	*	*			trans	49.2	101	155.1	-65.9	168.2	-4.7	0	0	116.1	K126	Q124-K126 PolarHBondContact O-N 3.13Å
125	Q	54.2	Low	72.6	Confident	195 Å²	195	150.6 Å²	150.6	91%	0.911	80%	0.796	S	S	*	*			trans	-50.7	113.2	150.1	-81.7	171.1	-26	0	0	107.1	T127	Q125-T127 VanDerWaalsContact C-N 3.31Å; Q125-T127 PolarHBondContact O-N 2.7Å
126	K	53	Low	70.8	Confident	191 Å²	191	153.1 Å²	153.1	83%	0.83	82%	0.815	S	S	*	*			trans	-64.1	101.5	162.5	-81.3	-173.6	175.7	-177.4	0	106	Q124 V128	Q124-K126 PolarHBondContact O-N 3.13Å; K126-V128 PolarHBondContact O-N 2.85Å
127	T	46.2	Very low	68.8	Low	141 Å²	141	150.2 Å²	150.2	87%	0.865	82%	0.815	S	S	*	*			trans	-56.1	114	155.8	9.3	0	0	0	0	106.6	Q125	Q125-T127 VanDerWaalsContact C-N 3.31Å; Q125-T127 PolarHBondContact O-N 2.7Å
128	V	52.3	Low	66.5	Low	207 Å²	207	155.2 Å²	155.2	100%	1.255	83%	0.829	S	S	*	*			trans	-100.9	0	157.8	-171.5	0	0	0	0	106	K126	K126-V128 PolarHBondContact O-N 2.85Å

Retrieved 128 of 128 residues in 74.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).