A0A096NB99_PAPAN Loading...

Histone H2B

AlphaFold DB (Q16778), UniProt , Accession A0A096NB99, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 126 aa.

						>A0A096NB99_PAPAN|A0A096NB99
MPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIAGEASRLAHYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVTKYTSSK
					

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	61.7	Low	74.8	Confident	232 Å²	232	135.4 Å²	135.4	100%	1.143	83%	0.829	S	S	*	*				0	110	0	-79.4	-72.4	169.1	0	0	107.7
2	P	74.5	Confident	75.1	Confident	128 Å²	128	141.3 Å²	141.3	83%	0.831	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-72.4	134.9	172.4	29.8	-30.4	0	0	0	109.6
3	E	71.2	Confident	75.4	Confident	174 Å²	174	146.5 Å²	146.5	81%	0.813	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-64.6	140.5	176.6	-78.4	-168.6	132.7	0	0	111.3
4	P	74.9	Confident	75.1	Confident	118 Å²	118	141.4 Å²	141.4	77%	0.766	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-66.6	134.4	173.2	26.1	-31.1	0	0	0	110.7	K6	P4-K6 PolarHBondContact O-N 3.49Å
5	A	75	Confident	75.1	Confident	103 Å²	103	139.7 Å²	139.7	85%	0.851	83%	0.834	S	S	*	*			trans	-57	108.5	177.4	0	0	0	0	0	110.8	S7	A5-S7 PolarHBondContact O-N 3.15Å
6	K	75.3	Confident	75.2	Confident	194 Å²	194	144.6 Å²	144.6	84%	0.843	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-64	118.1	172.3	-77.7	175.5	179.9	162.9	0	108.9	P4	P4-K6 PolarHBondContact O-N 3.49Å
7	S	78.7	Confident	75.4	Confident	112 Å²	112	147.8 Å²	147.8	78%	0.783	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-57.3	143.5	167.9	32.2	0	0	0	0	110.4	A5	A5-S7 PolarHBondContact O-N 3.15Å
8	A	79	Confident	75.4	Confident	90 Å²	90	144.8 Å²	144.8	74%	0.744	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-54.5	138.6	-179.4	0	0	0	0	0	110.9	A10	A8-A10 PolarHBondContact O-N 3.36Å
9	P	75.5	Confident	75.5	Confident	127 Å²	127	144.9 Å²	144.9	83%	0.825	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-56.9	130.2	179.3	-21	30.2	0	0	0	111
10	A	78.2	Confident	75.8	Confident	86 Å²	86	143.9 Å²	143.9	71%	0.711	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-60.1	138.7	174.9	0	0	0	0	0	110.5	A8 K12	A8-A10 PolarHBondContact O-N 3.36Å; A10-K12 PolarHBondContact O-N 3.34Å
11	P	79.3	Confident	75.8	Confident	125 Å²	125	146.7 Å²	146.7	81%	0.812	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-60.7	130.7	178	23.3	-31.7	0	0	0	110.6	K13	P11-K13 PolarHBondContact O-N 3.23Å
12	K	78.4	Confident	76.5	Confident	206 Å²	206	140 Å²	140	90%	0.896	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-60.8	128.7	175.7	-69.1	-176.9	179.1	178.7	0	109.4	A10 G14	A10-K12 PolarHBondContact O-N 3.34Å; K12-G14 PolarHBondContact O-N 3.31Å; K12-G14 VanDerWaalsContact O-N 3.15Å
13	K	78.7	Confident	76.5	Confident	210 Å²	210	142.6 Å²	142.6	91%	0.913	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-52.6	119	173.6	-101.3	176.9	176.7	172.1	0	109.5	P11	P11-K13 PolarHBondContact O-N 3.23Å
14	G	71.3	Confident	76.1	Confident	74 Å²	74	143.1 Å²	143.1	76%	0.763	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-60.1	140.3	177.9	0	0	0	0	0	112.1	K12	K12-G14 PolarHBondContact O-N 3.31Å; K12-G14 VanDerWaalsContact O-N 3.15Å
15	S	75.4	Confident	75.9	Confident	117 Å²	117	147 Å²	147	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-59.3	136.7	176.8	-50	0	0	0	0	111.2	K17	S15-K17 PolarHBondContact O-N 3.27Å; S15-K17 VanDerWaalsContact O-N 3.12Å
16	K	76.8	Confident	75.4	Confident	217 Å²	217	148.8 Å²	148.8	94%	0.943	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-53.2	118.2	176.5	-83.8	-179	176.9	176.1	0	109.9	A18	K16-A18 PolarHBondContact O-N 3.01Å
17	K	78.1	Confident	74.6	Confident	199 Å²	199	142.6 Å²	142.6	87%	0.865	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-64.2	132.3	167.6	-74.6	-177	178.4	178.3	0	109	S15 V19	S15-K17 PolarHBondContact O-N 3.27Å; S15-K17 VanDerWaalsContact O-N 3.12Å; K17-V19 PolarHBondContact O-N 3.42Å
18	A	74.6	Confident	73.5	Confident	95 Å²	95	146.6 Å²	146.6	79%	0.785	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-61.6	130.5	173	0	0	0	0	0	109.9	K16 T20	K16-A18 PolarHBondContact O-N 3.01Å; A18-T20 PolarHBondContact O-N 3.12Å
19	V	77.9	Confident	72.5	Confident	147 Å²	147	152.5 Å²	152.5	89%	0.891	83%	0.826	S	S	*	*			trans	-78.2	107	178.4	-179.1	0	0	0	0	108.3	K17	K17-V19 PolarHBondContact O-N 3.42Å
20	T	81.3	Confident	71.6	Confident	123 Å²	123	157.2 Å²	157.2	76%	0.755	83%	0.827	S	S	*	*			trans	-75	140.9	172.4	53.5	0	0	0	0	110.5	A18 A22	A18-T20 PolarHBondContact O-N 3.12Å; T20-A22 PolarHBondContact O-N 3.33Å; T20-A22 VanDerWaalsContact O-N 3.11Å
21	K	75.9	Confident	70.7	Confident	204 Å²	204	162.5 Å²	162.5	89%	0.887	83%	0.834	S	S	*	*			trans	-55.1	115.3	176.4	-168.6	174	-175.3	174.4	0	110.2	Q23	K21-Q23 PolarHBondContact O-N 3.11Å
22	A	76.1	Confident	69.6	Low	92 Å²	92	168.4 Å²	168.4	76%	0.76	84%	0.84	S	S	*	*			trans	-61.8	127.3	179.1	0	0	0	0	0	110.3	T20 K24	T20-A22 PolarHBondContact O-N 3.33Å; T20-A22 VanDerWaalsContact O-N 3.11Å; A22-K24 PolarHBondContact O-N 3.38Å
23	Q	74	Confident	68.5	Low	182 Å²	182	164.2 Å²	164.2	85%	0.85	84%	0.837	S	S	*	*			trans	-64.2	127.2	173.5	-68.7	179.5	-53.4	0	0	109.4	K21 K25	K21-Q23 PolarHBondContact O-N 3.11Å; Q23-K25 PolarHBondContact O-N 3.39Å
24	K	64.7	Low	67.7	Low	185 Å²	185	162.9 Å²	162.9	80%	0.804	83%	0.826	S	S	*	*			trans	-55.5	111.9	171.9	-98.9	-173.6	170	-178.4	0	109	A22 D26	A22-K24 PolarHBondContact O-N 3.38Å; K24-D26 PolarHBondContact O-N 3.04Å
25	K	69.2	Low	67.6	Low	198 Å²	198	168 Å²	168	86%	0.861	83%	0.827	S	S	*	*			trans	-78.1	-0.7	175	-75.5	-174.8	177.7	176.5	0	113	Q23 G27	Q23-K25 PolarHBondContact O-N 3.39Å; K25-G27 PolarHBondContact O-N 2.93Å
26	D	64.1	Low	67.6	Low	141 Å²	141	171.5 Å²	171.5	75%	0.754	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-2.2	-169.8	-61.9	-43.9	0	0	0	115.9	K24	K24-D26 PolarHBondContact O-N 3.04Å
27	G	58.9	Low	68.3	Low	65 Å²	65	163 Å²	163	67%	0.67	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-3.3	-167.5	0	0	0	0	0	118.1	K25 K29	K25-G27 PolarHBondContact O-N 2.93Å; G27-K29 PolarHBondContact O-N 3.03Å
28	K	56.4	Low	69	Low	195 Å²	195	156.8 Å²	156.8	85%	0.848	77%	0.77	S	S	*	*			trans	-79	86.9	-174.9	-87.2	-176	178.3	177.3	0	112	R30	K28-R30 PolarHBondContact O-N 2.78Å
29	K	57.8	Low	69.8	Low	214 Å²	214	153.8 Å²	153.8	93%	0.93	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	35	163.2	-76.1	-171.9	173.8	179.1	0	114.3	G27	G27-K29 PolarHBondContact O-N 3.03Å
30	R	55.8	Low	70.6	Confident	227 Å²	227	149.9 Å²	149.9	86%	0.857	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	12.8	-166.6	-91.3	-169.8	170.5	-176.5	-2	117.9	K28	K28-R30 PolarHBondContact O-N 2.78Å
31	K	59.6	Low	71.2	Confident	197 Å²	197	151 Å²	151	86%	0.857	71%	0.708	S	S	*	*	S	Bend	trans	-142.7	130.3	159.8	-68	-171	177.2	-176.9	0	107.5	S33	K31-S33 PolarHBondContact O-N 2.69Å
32	R	56.3	Low	72.1	Confident	249 Å²	249	142.2 Å²	142.2	94%	0.94	67%	0.672	S	S	*	*			trans	-42.6	117.6	169.7	-82.7	178.2	174.1	169.3	-2.5	106.6	R34	R32-R34 VanDerWaalsContact C-N 3.35Å; R32-R34 PolarHBondContact O-N 3.01Å
33	S	55.8	Low	73.1	Confident	117 Å²	117	143.7 Å²	143.7	82%	0.818	66%	0.659	S	S	*	*			trans	-52.5	108.7	172.1	-179.4	0	0	0	0	105.5	K31 K35	K31-S33 PolarHBondContact O-N 2.69Å; S33-K35 PolarHBondContact O-N 3.48Å; S33-K35 VanDerWaalsContact O-N 3.09Å
34	R	61.9	Low	74.1	Confident	183 Å²	183	141.3 Å²	141.3	69%	0.691	65%	0.645	S	S	*	*			trans	-66.1	118.1	-178	-174.7	175.8	-174.5	167.6	2.5	104.2	R32 E36	R32-R34 VanDerWaalsContact C-N 3.35Å; R32-R34 PolarHBondContact O-N 3.01Å; R34-E36 PolarHBondContact O-N 3.45Å
35	K	69.3	Low	75.5	Confident	181 Å²	181	136.8 Å²	136.8	79%	0.787	63%	0.633	S	S	*	*			trans	-44	119.3	176	-175.8	175.7	-179.4	178.3	0	107.8	S33 S37	S33-K35 PolarHBondContact O-N 3.48Å; S33-K35 VanDerWaalsContact O-N 3.09Å; K35-S37 PolarHBondContact O-N 3.05Å; K35-S37 VanDerWaalsContact O-N 3.09Å
36	E	76	Confident	76.9	Confident	191 Å²	191	128.9 Å²	128.9	89%	0.893	60%	0.6	S	S	*	*			trans	-57.4	119.1	177.5	-69.6	-177.9	164.6	0	0	107.3	R34	R34-E36 PolarHBondContact O-N 3.45Å
37	S	90	Very high	78.5	Confident	38 Å²	38	125.3 Å²	125.3	27%	0.266	58%	0.578	S	S	.	*			trans	-156.5	147	-171.6	170.9	0	0	0	0	109.4	K35 S39 N64	K35-S37 PolarHBondContact O-N 3.05Å; K35-S37 VanDerWaalsContact O-N 3.09Å; S37-S39 PolarHBondContact O-N 3.3Å; S37-S39 PolarHBondContact OG-N 2.78Å; S37-S39 PolarHBondContact OG-OG 3.18Å; S37-N64 PolarHBondContact OG-OD1 2.78Å
38	Y	93.4	Very high	80.3	Confident	68 Å²	68	130.2 Å²	130.2	27%	0.267	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.4	-1.8	177.5	-63.1	-84	0	0	0	113.2	I40 Y41 V42 N64 V67 N68	Y38-I40 PolarHBondContact O-N 2.83Å; Y38-I40 VanDerWaalsContact O-N 3.1Å; Y38-Y41 HydrophobicContact CD1-CD2 4.13Å; Y38-Y41 PolarHBondContact O-N 2.96Å; Y38-V42 WeakPolarHBondContact O-CG2 3.37Å; Y38-V42 PolarHBondContact O-N 3.23Å; Y38-N64 PolarHBondContact N-OD1 2.97Å; Y38-V67 HydrophobicContact CD1-CG1 3.59Å; Y38-V67 HydrophobicContact CD2-CB 4.09Å; Y38-V67 HydrophobicContact CD2-CG1 3.64Å; Y38-V67 HydrophobicContact CE1-CG1 3.74Å; Y38-V67 HydrophobicContact CE2-CG1 3.82Å; Y38-V67 HydrophobicContact CG-CB 4.11Å; Y38-V67 HydrophobicContact CG-CG1 3.53Å; Y38-N68 WeakPolarHBondContact CE2-OD1 3.48Å
39	S	92.6	Very high	82.2	Confident	32 Å²	32	125.2 Å²	125.2	22%	0.224	57%	0.569	C	S	.	*	H	α-helix	trans	-54.7	-34.8	-175.9	-59.7	0	0	0	0	114.3	S37 Y41 Y43 M60	S37-S39 PolarHBondContact O-N 3.3Å; S37-S39 PolarHBondContact OG-N 2.78Å; S37-S39 PolarHBondContact OG-OG 3.18Å; S39-Y41 VanDerWaalsContact C-N 3.3Å; S39-Y41 PolarHBondContact O-N 3.43Å; S39-Y43 WeakPolarHBondContact O-CB 3.48Å; S39-Y43 PolarHBondContact O-N 2.98Å; S39-M60 VanDerWaalsContact CA-SD 3.54Å; S39-M60 VanDerWaalsContact CB-SD 3.58Å; S39-M60 WeakPolarHBondContact OG-CG 3.43Å
40	I	93.1	Very high	84.1	Confident	66 Å²	66	119.9 Å²	119.9	34%	0.338	55%	0.547	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.2	-62.3	174.9	0	0	0	110.4	Y38 K44	Y38-I40 PolarHBondContact O-N 2.83Å; Y38-I40 VanDerWaalsContact O-N 3.1Å; I40-K44 HydrophobicContact CG2-CD 4.32Å; I40-K44 WeakPolarHBondContact O-CG 3.3Å; I40-K44 PolarHBondContact O-N 3.24Å
41	Y	94	Very high	86.1	Confident	145 Å²	145	112.9 Å²	112.9	57%	0.569	53%	0.531	S	S	*	.	H	α-helix	trans	-76.1	-39.8	-178.2	-53.1	-65.9	0	0	0	111.5	Y38 S39 Y43 K44 V45	Y38-Y41 HydrophobicContact CD1-CD2 4.13Å; Y38-Y41 PolarHBondContact O-N 2.96Å; S39-Y41 VanDerWaalsContact C-N 3.3Å; S39-Y41 PolarHBondContact O-N 3.43Å; Y41-Y43 VanDerWaalsContact C-N 3.27Å; Y41-Y43 PolarHBondContact O-N 2.86Å; Y41-K44 PolarHBondContact O-N 3.18Å; Y41-V45 WeakPolarHBondContact O-CG2 3.49Å; Y41-V45 PolarHBondContact O-N 2.93Å
42	V	95.8	Very high	87.9	Confident	21 Å²	21	111.1 Å²	111.1	13%	0.127	53%	0.531	C	S	.	.	H	α-helix	trans	-55.8	-46	172.3	176.3	0	0	0	0	110	Y38 L46 I55 M60 M63	Y38-V42 WeakPolarHBondContact O-CG2 3.37Å; Y38-V42 PolarHBondContact O-N 3.23Å; V42-L46 VanDerWaalsContact O-CB 3.28Å; V42-L46 WeakPolarHBondContact O-CB 3.19Å; V42-L46 PolarHBondContact O-N 2.8Å; V42-I55 HydrophobicContact CG1-CD1 4.09Å; V42-M60 HydrophobicContact CB-CE 4.37Å; V42-M60 HydrophobicContact CB-SD 3.74Å; V42-M60 HydrophobicContact CG1-CE 4.09Å; V42-M60 HydrophobicContact CG1-SD 3.67Å; V42-M60 HydrophobicContact CG2-SD 4.38Å; V42-M63 HydrophobicContact CG1-CB 4.03Å; V42-M63 HydrophobicContact CG1-CG 4.23Å; V42-M63 HydrophobicContact CG2-CB 4.05Å
43	Y	95.6	Very high	89.9	Confident	123 Å²	123	102.5 Å²	102.5	48%	0.482	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-43.1	177.3	-172.4	-96.6	0	0	0	113.1	S39 Y41 L46 K47	S39-Y43 WeakPolarHBondContact O-CB 3.48Å; S39-Y43 PolarHBondContact O-N 2.98Å; Y41-Y43 VanDerWaalsContact C-N 3.27Å; Y41-Y43 PolarHBondContact O-N 2.86Å; Y43-L46 PolarHBondContact O-N 3.21Å; Y43-K47 HydrophobicContact CD1-CG 4.28Å; Y43-K47 HydrophobicContact CE1-CG 3.79Å; Y43-K47 HydrophobicContact CE2-CG 4.22Å; Y43-K47 PolarHBondContact O-N 3.36Å; Y43-K47 WeakPolarHBondContact OH-CE 3.48Å
44	K	95.3	Very high	91.8	Very high	132 Å²	132	99.8 Å²	99.8	57%	0.574	50%	0.496	S	S	*	.	H	α-helix	trans	-60.3	-46.2	177.6	-79.1	178.6	177.5	-175.2	0	112.1	I40 Y41 Q48	I40-K44 HydrophobicContact CG2-CD 4.32Å; I40-K44 WeakPolarHBondContact O-CG 3.3Å; I40-K44 PolarHBondContact O-N 3.24Å; Y41-K44 PolarHBondContact O-N 3.18Å; K44-Q48 WeakPolarHBondContact O-CB 3.31Å; K44-Q48 PolarHBondContact O-N 3.13Å; K44-Q48 VanDerWaalsContact O-N 3.12Å
45	V	95.8	Very high	93.5	Very high	89 Å²	89	93.7 Å²	93.7	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-67.4	-43	178.7	175.7	0	0	0	0	110.4	Y41 K47 Q48 V49	Y41-V45 WeakPolarHBondContact O-CG2 3.49Å; Y41-V45 PolarHBondContact O-N 2.93Å; V45-K47 PolarHBondContact O-N 3.43Å; V45-Q48 PolarHBondContact O-N 3.28Å; V45-Q48 VanDerWaalsContact O-N 3.13Å; V45-V49 HydrophobicContact CG1-CG2 4.41Å; V45-V49 WeakPolarHBondContact O-CG2 3.41Å; V45-V49 PolarHBondContact O-N 3.01Å
46	L	97.3	Very high	94.8	Very high	33 Å²	33	88.4 Å²	88.4	17%	0.173	46%	0.463	C	S	.	.	H	α-helix	trans	-55.7	-49.1	176.3	176.6	64.6	0	0	0	111.5	V42 Y43 Q48 V49 H50 T53 I55	V42-L46 VanDerWaalsContact O-CB 3.28Å; V42-L46 WeakPolarHBondContact O-CB 3.19Å; V42-L46 PolarHBondContact O-N 2.8Å; Y43-L46 PolarHBondContact O-N 3.21Å; L46-Q48 VanDerWaalsContact C-N 3.27Å; L46-Q48 PolarHBondContact O-N 3.42Å; L46-V49 PolarHBondContact O-N 3.27Å; L46-H50 HydrophobicContact CD1-CB 4.32Å; L46-H50 CarbonylContact O-C 3.4Å; L46-H50 WeakPolarHBondContact O-CA 3.45Å; L46-H50 PolarHBondContact O-N 3.33Å; L46-T53 HydrophobicContact CD1-CG2 4.47Å; L46-I55 HydrophobicContact CD2-CB 3.69Å; L46-I55 HydrophobicContact CD2-CG2 3.59Å
47	K	97.7	Very high	95.7	Very high	66 Å²	66	84.7 Å²	84.7	29%	0.287	46%	0.458	S	S	.	.	H	α-helix	trans	-71	-21	-179.8	-69	-53.7	-169	-175.2	0	114.1	Y43 V45 P51 T53	Y43-K47 HydrophobicContact CD1-CG 4.28Å; Y43-K47 HydrophobicContact CE1-CG 3.79Å; Y43-K47 HydrophobicContact CE2-CG 4.22Å; Y43-K47 PolarHBondContact O-N 3.36Å; Y43-K47 WeakPolarHBondContact OH-CE 3.48Å; V45-K47 PolarHBondContact O-N 3.43Å; K47-P51 WeakPolarHBondContact CD-O 3.33Å; K47-P51 PolarHBondContact NZ-O 3.09Å; K47-T53 PolarHBondContact NZ-O 3.24Å
48	Q	96.5	Very high	96.1	Very high	167 Å²	167	90.7 Å²	90.7	78%	0.78	48%	0.479	S	S	*	.	H	α-helix	trans	-75.5	-34.4	172.5	-174	178.8	-31.9	0	0	112.3	K44 V45 L46	K44-Q48 WeakPolarHBondContact O-CB 3.31Å; K44-Q48 PolarHBondContact O-N 3.13Å; K44-Q48 VanDerWaalsContact O-N 3.12Å; V45-Q48 PolarHBondContact O-N 3.28Å; V45-Q48 VanDerWaalsContact O-N 3.13Å; L46-Q48 VanDerWaalsContact C-N 3.27Å; L46-Q48 PolarHBondContact O-N 3.42Å
49	V	97.7	Very high	96.3	Very high	91 Å²	91	89 Å²	89	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-95.1	-37.6	-176.9	-177	0	0	0	0	112.3	V45 L46	V45-V49 HydrophobicContact CG1-CG2 4.41Å; V45-V49 WeakPolarHBondContact O-CG2 3.41Å; V45-V49 PolarHBondContact O-N 3.01Å; L46-V49 PolarHBondContact O-N 3.27Å
50	H	97.5	Very high	96.4	Very high	102 Å²	102	88.8 Å²	88.8	47%	0.472	48%	0.475	S	S	.	.			trans	-136.1	84.7	-179.8	-61.5	-62.3	0	0	0	110.9	L46 D52 T53	L46-H50 HydrophobicContact CD1-CB 4.32Å; L46-H50 CarbonylContact O-C 3.4Å; L46-H50 WeakPolarHBondContact O-CA 3.45Å; L46-H50 PolarHBondContact O-N 3.33Å; H50-D52 VanDerWaalsContact C-N 3.26Å; H50-D52 PolarHBondContact O-N 3.02Å; H50-T53 PolarHBondContact O-N 3.09Å
51	P	97.5	Very high	96.6	Very high	80 Å²	80	87.3 Å²	87.3	52%	0.519	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.5	-177.4	-25.9	35.3	0	0	0	113.8	K47	K47-P51 WeakPolarHBondContact CD-O 3.33Å; K47-P51 PolarHBondContact NZ-O 3.09Å
52	D	97.5	Very high	96.7	Very high	160 Å²	160	85.6 Å²	85.6	86%	0.856	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-4.8	-173.7	-53.2	-46.4	0	0	0	113.7	H50	H50-D52 VanDerWaalsContact C-N 3.26Å; H50-D52 PolarHBondContact O-N 3.02Å
53	T	97	Very high	96.8	Very high	68 Å²	68	88.2 Å²	88.2	42%	0.417	49%	0.488	S	S	.	.			trans	-95.2	137.9	-177.8	-57.9	0	0	0	0	111.5	L46 K47 H50	L46-T53 HydrophobicContact CD1-CG2 4.47Å; K47-T53 PolarHBondContact NZ-O 3.24Å; H50-T53 PolarHBondContact O-N 3.09Å
54	G	96.4	Very high	96.8	Very high	59 Å²	59	83.6 Å²	83.6	61%	0.608	47%	0.471	S	S	*	.			trans	-99	169.3	170.4	0	0	0	0	0	112.5
55	I	97.3	Very high	96.8	Very high	55 Å²	55	80.9 Å²	80.9	28%	0.282	47%	0.469	S	S	.	.			trans	-132.9	134.2	174.8	-174.8	171	0	0	0	109.6	V42 L46 A59 M60 M63	V42-I55 HydrophobicContact CG1-CD1 4.09Å; L46-I55 HydrophobicContact CD2-CB 3.69Å; L46-I55 HydrophobicContact CD2-CG2 3.59Å; I55-A59 HydrophobicContact CD1-CB 4.06Å; I55-A59 HydrophobicContact CG1-CB 3.61Å; I55-M60 HydrophobicContact CD1-CE 4.45Å; I55-M60 HydrophobicContact CG2-CE 3.52Å; I55-M63 HydrophobicContact CD1-CG 4.24Å
56	S	97.4	Very high	96.9	Very high	71 Å²	71	82 Å²	82	50%	0.497	47%	0.467	S	S	.	.			trans	-71.4	159.8	178.7	72.3	0	0	0	0	111.7	K58 A59 M60	S56-K58 VanDerWaalsContact C-N 3.29Å; S56-K58 PolarHBondContact O-N 3.29Å; S56-A59 PolarHBondContact O-N 2.99Å; S56-A59 WeakPolarHBondContact OG-CB 3.29Å; S56-A59 PolarHBondContact OG-N 3.48Å; S56-A59 VanDerWaalsContact OG-N 3.15Å; S56-M60 WeakPolarHBondContact O-CB 3.49Å; S56-M60 PolarHBondContact O-N 3.24Å
57	S	95.5	Very high	96.9	Very high	112 Å²	112	82.6 Å²	82.6	78%	0.783	47%	0.472	S	S	*	.	H	α-helix	trans	-60.7	-38.3	175.9	57	0	0	0	0	112.4	M60 G61	S57-M60 WeakPolarHBondContact O-CB 3.28Å; S57-M60 PolarHBondContact O-N 2.94Å; S57-G61 PolarHBondContact O-N 3.14Å
58	K	97.1	Very high	96.8	Very high	164 Å²	164	82.2 Å²	82.2	71%	0.713	47%	0.473	S	S	*	.	H	α-helix	trans	-63.5	-47.7	175.7	-170.5	178.8	-176.2	-179.9	0	111.3	S56 M60 G61 I62	S56-K58 VanDerWaalsContact C-N 3.29Å; S56-K58 PolarHBondContact O-N 3.29Å; K58-M60 VanDerWaalsContact C-N 3.33Å; K58-M60 PolarHBondContact O-N 3.01Å; K58-G61 PolarHBondContact O-N 3.41Å; K58-I62 HydrophobicContact CG-CD1 4.42Å; K58-I62 WeakPolarHBondContact O-CG1 3.46Å; K58-I62 PolarHBondContact O-N 3.27Å
59	A	97.6	Very high	96.8	Very high	32 Å²	32	77.3 Å²	77.3	26%	0.264	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-39.5	177.1	0	0	0	0	0	111.8	I55 S56 G61 I62 M63	I55-A59 HydrophobicContact CD1-CB 4.06Å; I55-A59 HydrophobicContact CG1-CB 3.61Å; S56-A59 PolarHBondContact O-N 2.99Å; S56-A59 WeakPolarHBondContact OG-CB 3.29Å; S56-A59 PolarHBondContact OG-N 3.48Å; S56-A59 VanDerWaalsContact OG-N 3.15Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 2.95Å; A59-I62 PolarHBondContact O-N 3.17Å; A59-M63 WeakPolarHBondContact O-CG 3.37Å; A59-M63 PolarHBondContact O-N 3.5Å
60	M	96	Very high	96.7	Very high	28 Å²	28	75.2 Å²	75.2	14%	0.138	44%	0.437	C	S	.	.	H	α-helix	trans	-59.4	-40.9	173	-174.9	63.4	74.5	0	0	112.1	S39 V42 I55 S56 S57 K58 M63 N64	S39-M60 VanDerWaalsContact CA-SD 3.54Å; S39-M60 VanDerWaalsContact CB-SD 3.58Å; S39-M60 WeakPolarHBondContact OG-CG 3.43Å; V42-M60 HydrophobicContact CB-CE 4.37Å; V42-M60 HydrophobicContact CB-SD 3.74Å; V42-M60 HydrophobicContact CG1-CE 4.09Å; V42-M60 HydrophobicContact CG1-SD 3.67Å; V42-M60 HydrophobicContact CG2-SD 4.38Å; I55-M60 HydrophobicContact CD1-CE 4.45Å; I55-M60 HydrophobicContact CG2-CE 3.52Å; S56-M60 WeakPolarHBondContact O-CB 3.49Å; S56-M60 PolarHBondContact O-N 3.24Å; S57-M60 WeakPolarHBondContact O-CB 3.28Å; S57-M60 PolarHBondContact O-N 2.94Å; K58-M60 VanDerWaalsContact C-N 3.33Å; K58-M60 PolarHBondContact O-N 3.01Å; M60-M63 PolarHBondContact O-N 2.52Å; M60-N64 WeakPolarHBondContact O-CB 3.43Å; M60-N64 PolarHBondContact O-N 3.2Å
61	G	95.7	Very high	96.7	Very high	36 Å²	36	75.9 Å²	75.9	37%	0.371	44%	0.439	S	S	.	.	H	α-helix	trans	-62.5	-46.1	174.6	0	0	0	0	0	112.6	S57 K58 A59 M63 N64 S65	S57-G61 PolarHBondContact O-N 3.14Å; K58-G61 PolarHBondContact O-N 3.41Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 2.95Å; G61-M63 PolarHBondContact O-N 3.19Å; G61-N64 PolarHBondContact O-N 3.24Å; G61-S65 PolarHBondContact O-N 3.26Å; G61-S65 PolarHBondContact O-OG 3.49Å
62	I	97.4	Very high	96.6	Very high	108 Å²	108	78.5 Å²	78.5	55%	0.554	44%	0.444	S	S	*	.	H	α-helix	trans	-59.8	-47.2	176.6	-66.3	166.3	0	0	0	110.6	K58 A59 N64 S65 F66	K58-I62 HydrophobicContact CG-CD1 4.42Å; K58-I62 WeakPolarHBondContact O-CG1 3.46Å; K58-I62 PolarHBondContact O-N 3.27Å; A59-I62 PolarHBondContact O-N 3.17Å; I62-N64 VanDerWaalsContact C-N 3.32Å; I62-N64 PolarHBondContact O-N 2.95Å; I62-S65 PolarHBondContact O-N 2.87Å; I62-F66 WeakPolarHBondContact O-CB 3.39Å; I62-F66 PolarHBondContact O-N 3.39Å
63	M	97.4	Very high	96.6	Very high	77 Å²	77	77.1 Å²	77.1	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-61.6	-39.6	177.9	-70.3	-58.5	-65	0	0	112.3	V42 I55 A59 M60 G61 F66 V67	V42-M63 HydrophobicContact CG1-CB 4.03Å; V42-M63 HydrophobicContact CG1-CG 4.23Å; V42-M63 HydrophobicContact CG2-CB 4.05Å; I55-M63 HydrophobicContact CD1-CG 4.24Å; A59-M63 WeakPolarHBondContact O-CG 3.37Å; A59-M63 PolarHBondContact O-N 3.5Å; M60-M63 PolarHBondContact O-N 2.52Å; G61-M63 PolarHBondContact O-N 3.19Å; M63-F66 PolarHBondContact O-N 3.05Å; M63-V67 WeakPolarHBondContact O-CG2 3.18Å; M63-V67 PolarHBondContact O-N 3.31Å
64	N	95.3	Very high	96.7	Very high	26 Å²	26	75.3 Å²	75.3	14%	0.139	41%	0.414	C	S	.	.	H	α-helix	trans	-63.9	-44	175.9	-175.4	89	0	0	0	111.7	S37 Y38 M60 G61 I62 F66 V67 N68	S37-N64 PolarHBondContact OG-OD1 2.78Å; Y38-N64 PolarHBondContact N-OD1 2.97Å; M60-N64 WeakPolarHBondContact O-CB 3.43Å; M60-N64 PolarHBondContact O-N 3.2Å; G61-N64 PolarHBondContact O-N 3.24Å; I62-N64 VanDerWaalsContact C-N 3.32Å; I62-N64 PolarHBondContact O-N 2.95Å; N64-F66 VanDerWaalsContact C-N 3.35Å; N64-V67 PolarHBondContact O-N 3.03Å; N64-N68 PolarHBondContact ND2-ND2 3.49Å; N64-N68 PolarHBondContact O-N 3.24Å
65	S	96.3	Very high	96.7	Very high	75 Å²	75	74.3 Å²	74.3	52%	0.524	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-38.4	176.1	-62.1	0	0	0	0	112.3	G61 I62 N68 D69	G61-S65 PolarHBondContact O-N 3.26Å; G61-S65 PolarHBondContact O-OG 3.49Å; I62-S65 PolarHBondContact O-N 2.87Å; S65-N68 WeakPolarHBondContact O-CB 3.39Å; S65-N68 PolarHBondContact O-N 3.01Å; S65-D69 PolarHBondContact O-N 3.36Å
66	F	96.8	Very high	96.8	Very high	113 Å²	113	73.3 Å²	73.3	50%	0.496	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-46	174.7	173.1	-115.2	0	0	0	111.8	I62 M63 N64 N68 D69 I70	I62-F66 WeakPolarHBondContact O-CB 3.39Å; I62-F66 PolarHBondContact O-N 3.39Å; M63-F66 PolarHBondContact O-N 3.05Å; N64-F66 VanDerWaalsContact C-N 3.35Å; F66-N68 VanDerWaalsContact C-N 3.31Å; F66-N68 PolarHBondContact O-N 3.47Å; F66-D69 PolarHBondContact O-N 3.36Å; F66-I70 HydrophobicContact CD2-CG1 4.26Å; F66-I70 HydrophobicContact CE2-CD1 4.13Å; F66-I70 HydrophobicContact CE2-CG1 3.77Å; F66-I70 HydrophobicContact CZ-CG1 3.99Å; F66-I70 PolarHBondContact O-N 3.42Å; F66-I70 VanDerWaalsContact O-N 3.17Å
67	V	96.4	Very high	96.8	Very high	45 Å²	45	71.1 Å²	71.1	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-40	176.5	176.1	0	0	0	0	111.2	Y38 M63 N64 F71	Y38-V67 HydrophobicContact CD1-CG1 3.59Å; Y38-V67 HydrophobicContact CD2-CB 4.09Å; Y38-V67 HydrophobicContact CD2-CG1 3.64Å; Y38-V67 HydrophobicContact CE1-CG1 3.74Å; Y38-V67 HydrophobicContact CE2-CG1 3.82Å; Y38-V67 HydrophobicContact CG-CB 4.11Å; Y38-V67 HydrophobicContact CG-CG1 3.53Å; M63-V67 WeakPolarHBondContact O-CG2 3.18Å; M63-V67 PolarHBondContact O-N 3.31Å; N64-V67 PolarHBondContact O-N 3.03Å; V67-F71 WeakPolarHBondContact O-CB 3.22Å; V67-F71 PolarHBondContact O-N 2.81Å
68	N	95.8	Very high	96.9	Very high	57 Å²	57	65.8 Å²	65.8	31%	0.305	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-47.6	175.8	-74.5	-19.6	0	0	0	112.4	Y38 N64 S65 F66 I70 F71 E72	Y38-N68 WeakPolarHBondContact CE2-OD1 3.48Å; N64-N68 PolarHBondContact ND2-ND2 3.49Å; N64-N68 PolarHBondContact O-N 3.24Å; S65-N68 WeakPolarHBondContact O-CB 3.39Å; S65-N68 PolarHBondContact O-N 3.01Å; F66-N68 VanDerWaalsContact C-N 3.31Å; F66-N68 PolarHBondContact O-N 3.47Å; N68-I70 PolarHBondContact O-N 2.72Å; N68-F71 WeakPolarHBondContact O-CB 3.4Å; N68-F71 PolarHBondContact O-N 3.23Å; N68-E72 WeakPolarHBondContact O-CG 3.34Å; N68-E72 PolarHBondContact O-N 3.47Å
69	D	96.8	Very high	97	Very high	64 Å²	64	61 Å²	61	34%	0.342	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-48.1	179.9	178.5	22.5	0	0	0	111.2	S65 F66 F71 E72 R73	S65-D69 PolarHBondContact O-N 3.36Å; F66-D69 PolarHBondContact O-N 3.36Å; D69-F71 VanDerWaalsContact C-N 3.35Å; D69-F71 PolarHBondContact O-N 2.96Å; D69-E72 PolarHBondContact O-N 2.97Å; D69-R73 VanDerWaalsContact CG-NH2 3.33Å; D69-R73 VanDerWaalsContact O-CG 3.3Å; D69-R73 WeakPolarHBondContact O-CG 3.5Å; D69-R73 PolarHBondContact O-N 2.92Å; D69-R73 VanDerWaalsContact O-N 3.1Å; D69-R73 IonicContact OD1-CZ 3.35Å; D69-R73 IonicContact OD1-NE 2.79Å; D69-R73 PolarHBondContact OD1-NE 2.77Å; D69-R73 IonicContact OD1-NH2 2.78Å; D69-R73 PolarHBondContact OD1-NH2 2.86Å; D69-R73 IonicContact OD2-CZ 3.51Å; D69-R73 IonicContact OD2-NE 3.65Å; D69-R73 IonicContact OD2-NH2 4Å; D69-R73 PolarHBondContact OD2-NH2 3.39Å
70	I	96.1	Very high	97	Very high	48 Å²	48	65.3 Å²	65.3	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-38.9	177.1	-60.4	-57.8	0	0	0	111.7	F66 N68 R73 I74	F66-I70 HydrophobicContact CD2-CG1 4.26Å; F66-I70 HydrophobicContact CE2-CD1 4.13Å; F66-I70 HydrophobicContact CE2-CG1 3.77Å; F66-I70 HydrophobicContact CZ-CG1 3.99Å; F66-I70 PolarHBondContact O-N 3.42Å; F66-I70 VanDerWaalsContact O-N 3.17Å; N68-I70 PolarHBondContact O-N 2.72Å; I70-R73 PolarHBondContact O-N 2.9Å; I70-I74 HydrophobicContact CG2-CD1 3.78Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.3Å; I70-I74 WeakPolarHBondContact O-CG1 3.47Å; I70-I74 PolarHBondContact O-N 2.91Å
71	F	96.3	Very high	97.1	Very high	115 Å²	115	65.4 Å²	65.4	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-46.4	177.5	179.5	-89.7	0	0	0	111.9	V67 N68 D69 R73 I74 A75	V67-F71 WeakPolarHBondContact O-CB 3.22Å; V67-F71 PolarHBondContact O-N 2.81Å; N68-F71 WeakPolarHBondContact O-CB 3.4Å; N68-F71 PolarHBondContact O-N 3.23Å; D69-F71 VanDerWaalsContact C-N 3.35Å; D69-F71 PolarHBondContact O-N 2.96Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.1Å; F71-I74 PolarHBondContact O-N 3Å; F71-A75 WeakPolarHBondContact O-CB 3.32Å; F71-A75 PolarHBondContact O-N 3.24Å
72	E	97.1	Very high	97.2	Very high	135 Å²	135	63.9 Å²	63.9	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-61.4	-41.9	178.2	-74.8	178.8	-174.7	0	0	111.5	N68 D69 A75 G76	N68-E72 WeakPolarHBondContact O-CG 3.34Å; N68-E72 PolarHBondContact O-N 3.47Å; D69-E72 PolarHBondContact O-N 2.97Å; E72-A75 PolarHBondContact O-N 2.89Å; E72-G76 PolarHBondContact O-N 2.95Å
73	R	97.8	Very high	97.2	Very high	131 Å²	131	65.9 Å²	65.9	49%	0.494	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-47.1	174.2	-67.5	175.1	-163.7	-154.8	7.2	111.9	D69 I70 F71 G76 E77 L102	D69-R73 VanDerWaalsContact CG-NH2 3.33Å; D69-R73 VanDerWaalsContact O-CG 3.3Å; D69-R73 WeakPolarHBondContact O-CG 3.5Å; D69-R73 PolarHBondContact O-N 2.92Å; D69-R73 VanDerWaalsContact O-N 3.1Å; D69-R73 IonicContact OD1-CZ 3.35Å; D69-R73 IonicContact OD1-NE 2.79Å; D69-R73 PolarHBondContact OD1-NE 2.77Å; D69-R73 IonicContact OD1-NH2 2.78Å; D69-R73 PolarHBondContact OD1-NH2 2.86Å; D69-R73 IonicContact OD2-CZ 3.51Å; D69-R73 IonicContact OD2-NE 3.65Å; D69-R73 IonicContact OD2-NH2 4Å; D69-R73 PolarHBondContact OD2-NH2 3.39Å; I70-R73 PolarHBondContact O-N 2.9Å; F71-R73 VanDerWaalsContact C-N 3.33Å; F71-R73 PolarHBondContact O-N 3.1Å; R73-G76 PolarHBondContact O-N 3.39Å; R73-E77 WeakPolarHBondContact O-CB 3.48Å; R73-E77 PolarHBondContact O-N 2.89Å; R73-L102 VanDerWaalsContact C-CD1 3.42Å; R73-L102 HydrophobicContact CB-CD1 3.88Å; R73-L102 HydrophobicContact CB-CD2 4.17Å; R73-L102 WeakPolarHBondContact O-CD1 3.5Å
74	I	97.6	Very high	97.1	Very high	30 Å²	30	70.3 Å²	70.3	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-45.3	178.3	-68.3	164.3	0	0	0	110.7	I70 F71 G76 E77 A78 I95 A98 V99 L102	I70-I74 HydrophobicContact CG2-CD1 3.78Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.3Å; I70-I74 WeakPolarHBondContact O-CG1 3.47Å; I70-I74 PolarHBondContact O-N 2.91Å; F71-I74 PolarHBondContact O-N 3Å; I74-G76 PolarHBondContact O-N 3.06Å; I74-E77 PolarHBondContact O-N 3.49Å; I74-A78 VanDerWaalsContact O-CB 3.26Å; I74-A78 WeakPolarHBondContact O-CB 3.48Å; I74-A78 PolarHBondContact O-N 3.45Å; I74-I95 HydrophobicContact CG2-CG2 4.41Å; I74-A98 HydrophobicContact CG2-CB 4.21Å; I74-V99 HydrophobicContact CD1-CG2 3.96Å; I74-V99 HydrophobicContact CG1-CG2 4.26Å; I74-V99 HydrophobicContact CG2-CG2 4.15Å; I74-L102 VanDerWaalsContact CA-CD1 3.42Å; I74-L102 HydrophobicContact CB-CD1 4.11Å; I74-L102 HydrophobicContact CG1-CD1 3.55Å
75	A	97.7	Very high	97.2	Very high	38 Å²	38	72.6 Å²	72.6	31%	0.314	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-43.9	178.6	0	0	0	0	0	111.5	F71 E72 A78 S79	F71-A75 WeakPolarHBondContact O-CB 3.32Å; F71-A75 PolarHBondContact O-N 3.24Å; E72-A75 PolarHBondContact O-N 2.89Å; A75-A78 PolarHBondContact O-N 3.4Å; A75-S79 WeakPolarHBondContact O-CB 3.3Å; A75-S79 PolarHBondContact O-N 3.39Å
76	G	97.9	Very high	97.2	Very high	34 Å²	34	78.7 Å²	78.7	35%	0.351	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-42.8	176.9	0	0	0	0	0	113.1	E72 R73 I74 R80	E72-G76 PolarHBondContact O-N 2.95Å; R73-G76 PolarHBondContact O-N 3.39Å; I74-G76 PolarHBondContact O-N 3.06Å; G76-R80 WeakPolarHBondContact O-CG 3.28Å; G76-R80 PolarHBondContact O-N 3.36Å
77	E	98	Very high	97.2	Very high	25 Å²	25	80.5 Å²	80.5	12%	0.117	38%	0.383	C	S	.	.	H	α-helix	trans	-67.5	-42.8	175.6	-170	67.8	-117	0	0	111.7	R73 I74 S79 R80 L81 A98 L101 L102	R73-E77 WeakPolarHBondContact O-CB 3.48Å; R73-E77 PolarHBondContact O-N 2.89Å; I74-E77 PolarHBondContact O-N 3.49Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 3.21Å; E77-R80 VanDerWaalsContact CD-NH2 3.34Å; E77-R80 WeakPolarHBondContact O-CB 3.24Å; E77-R80 PolarHBondContact O-N 2.95Å; E77-R80 IonicContact OE1-CZ 3.64Å; E77-R80 IonicContact OE1-NH1 3.25Å; E77-R80 IonicContact OE1-NH2 3.83Å; E77-R80 IonicContact OE2-CZ 3.12Å; E77-R80 IonicContact OE2-NH1 3.07Å; E77-R80 PolarHBondContact OE2-NH1 3.18Å; E77-R80 IonicContact OE2-NH2 2.59Å; E77-R80 PolarHBondContact OE2-NH2 2.85Å; E77-L81 WeakPolarHBondContact O-CG 3.38Å; E77-L81 PolarHBondContact O-N 3.43Å; E77-A98 HydrophobicContact CB-CB 3.79Å; E77-A98 HydrophobicContact CG-CB 3.82Å; E77-L101 HydrophobicContact CG-CB 4.27Å; E77-L101 HydrophobicContact CG-CD1 3.85Å; E77-L102 HydrophobicContact CB-CD1 4.16Å
78	A	98.1	Very high	97.2	Very high	0 Å²	0	84.4 Å²	84.4	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-63.9	-37.2	176.8	0	0	0	0	0	112.4	I74 A75 L81 A82 I90 E94 I95 A98	I74-A78 VanDerWaalsContact O-CB 3.26Å; I74-A78 WeakPolarHBondContact O-CB 3.48Å; I74-A78 PolarHBondContact O-N 3.45Å; A75-A78 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 3.36Å; A78-A82 PolarHBondContact O-N 2.99Å; A78-I90 HydrophobicContact CB-CG2 3.96Å; A78-E94 HydrophobicContact CB-CB 4.25Å; A78-I95 HydrophobicContact CB-CD1 3.68Å; A78-A98 HydrophobicContact CB-CB 3.98Å
79	S	97.9	Very high	97.3	Very high	65 Å²	65	86.1 Å²	86.1	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-43.4	173	-172.7	0	0	0	0	111.6	A75 E77 A82 H83	A75-S79 WeakPolarHBondContact O-CB 3.3Å; A75-S79 PolarHBondContact O-N 3.39Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 3.21Å; S79-A82 PolarHBondContact O-N 3.37Å; S79-H83 WeakPolarHBondContact O-CB 3.26Å; S79-H83 PolarHBondContact O-N 3.07Å
80	R	97.9	Very high	97.3	Very high	122 Å²	122	86.7 Å²	86.7	46%	0.46	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-44.5	174.6	-78.5	-175.8	-77.6	149.1	-4	111.6	G76 E77 A82 H83 Y84	G76-R80 WeakPolarHBondContact O-CG 3.28Å; G76-R80 PolarHBondContact O-N 3.36Å; E77-R80 VanDerWaalsContact CD-NH2 3.34Å; E77-R80 WeakPolarHBondContact O-CB 3.24Å; E77-R80 PolarHBondContact O-N 2.95Å; E77-R80 IonicContact OE1-CZ 3.64Å; E77-R80 IonicContact OE1-NH1 3.25Å; E77-R80 IonicContact OE1-NH2 3.83Å; E77-R80 IonicContact OE2-CZ 3.12Å; E77-R80 IonicContact OE2-NH1 3.07Å; E77-R80 PolarHBondContact OE2-NH1 3.18Å; E77-R80 IonicContact OE2-NH2 2.59Å; E77-R80 PolarHBondContact OE2-NH2 2.85Å; R80-A82 PolarHBondContact O-N 3.13Å; R80-H83 WeakPolarHBondContact O-CB 3.43Å; R80-H83 PolarHBondContact O-N 3.47Å; R80-Y84 HydrophobicContact CB-CE2 4.33Å; R80-Y84 WeakPolarHBondContact O-CD2 3.43Å; R80-Y84 PolarHBondContact O-N 2.91Å
81	L	97.9	Very high	97.2	Very high	29 Å²	29	86.5 Å²	86.5	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-61.5	-43	176.2	-69.7	169.5	0	0	0	112.7	E77 A78 H83 Y84 N85 E94 T97 A98 L101	E77-L81 WeakPolarHBondContact O-CG 3.38Å; E77-L81 PolarHBondContact O-N 3.43Å; A78-L81 PolarHBondContact O-N 3.36Å; L81-H83 VanDerWaalsContact C-N 3.32Å; L81-H83 PolarHBondContact O-N 3Å; L81-Y84 PolarHBondContact O-N 2.91Å; L81-N85 WeakPolarHBondContact O-CB 3.35Å; L81-N85 VanDerWaalsContact O-CG 3.3Å; L81-N85 PolarHBondContact O-N 2.92Å; L81-N85 PolarHBondContact O-ND2 3.37Å; L81-E94 HydrophobicContact CB-CB 4.18Å; L81-E94 HydrophobicContact CB-CG 3.79Å; L81-E94 WeakPolarHBondContact CD1-O 3.18Å; L81-T97 HydrophobicContact CD1-CG2 3.73Å; L81-T97 HydrophobicContact CD2-CG2 4.23Å; L81-A98 HydrophobicContact CD1-CB 4.14Å; L81-L101 HydrophobicContact CD1-CD1 4.27Å; L81-L101 HydrophobicContact CD2-CD1 4.28Å
82	A	97.7	Very high	96.9	Very high	5 Å²	5	85.2 Å²	85.2	4%	0.041	43%	0.434	C	S	.	.	H	α-helix	trans	-62.3	-41.6	175.9	0	0	0	0	0	111.5	A78 S79 R80 N85 K86 R87 I90 E94	A78-A82 PolarHBondContact O-N 2.99Å; S79-A82 PolarHBondContact O-N 3.37Å; R80-A82 PolarHBondContact O-N 3.13Å; A82-N85 CarbonylContact O-C 3.53Å; A82-N85 PolarHBondContact O-N 3.12Å; A82-K86 PolarHBondContact O-N 3.39Å; A82-R87 PolarHBondContact O-N 3.44Å; A82-I90 HydrophobicContact CB-CG1 3.95Å; A82-E94 HydrophobicContact CB-CG 4.22Å
83	H	97.3	Very high	96.7	Very high	149 Å²	149	86.5 Å²	86.5	69%	0.69	43%	0.433	S	S	*	.	H	α-helix	trans	-62.4	-46.8	176.1	-174.1	73.6	0	0	0	112.2	S79 R80 L81 N85 K86	S79-H83 WeakPolarHBondContact O-CB 3.26Å; S79-H83 PolarHBondContact O-N 3.07Å; R80-H83 WeakPolarHBondContact O-CB 3.43Å; R80-H83 PolarHBondContact O-N 3.47Å; L81-H83 VanDerWaalsContact C-N 3.32Å; L81-H83 PolarHBondContact O-N 3Å; H83-N85 PolarHBondContact O-N 3.38Å; H83-K86 PolarHBondContact O-N 3.17Å
84	Y	97	Very high	96.6	Very high	171 Å²	171	80.4 Å²	80.4	67%	0.671	41%	0.41	S	S	*	.	H	α-helix	trans	-59.3	-35.6	175.2	-71.7	-48.5	0	0	0	112.6	R80 L81 K86	R80-Y84 HydrophobicContact CB-CE2 4.33Å; R80-Y84 WeakPolarHBondContact O-CD2 3.43Å; R80-Y84 PolarHBondContact O-N 2.91Å; L81-Y84 PolarHBondContact O-N 2.91Å; Y84-K86 PolarHBondContact O-N 3.33Å
85	N	96.6	Very high	96.5	Very high	73 Å²	73	82.5 Å²	82.5	39%	0.39	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	4.8	176.4	-67	-31.8	0	0	0	113.6	L81 A82 H83 R87 E94	L81-N85 WeakPolarHBondContact O-CB 3.35Å; L81-N85 VanDerWaalsContact O-CG 3.3Å; L81-N85 PolarHBondContact O-N 2.92Å; L81-N85 PolarHBondContact O-ND2 3.37Å; A82-N85 CarbonylContact O-C 3.53Å; A82-N85 PolarHBondContact O-N 3.12Å; H83-N85 PolarHBondContact O-N 3.38Å; N85-R87 HydrophobicContact CB-CG 4.17Å; N85-R87 PolarHBondContact O-N 2.83Å; N85-E94 PolarHBondContact ND2-OE1 3.38Å
86	K	96.9	Very high	96.4	Very high	204 Å²	204	84 Å²	84	89%	0.887	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	35.9	-175.5	-56.2	178.5	-177.2	178.4	0	112.7	A82 H83 Y84	A82-K86 PolarHBondContact O-N 3.39Å; H83-K86 PolarHBondContact O-N 3.17Å; Y84-K86 PolarHBondContact O-N 3.33Å
87	R	96.6	Very high	96.3	Very high	150 Å²	150	84.3 Å²	84.3	57%	0.566	42%	0.416	S	S	*	.			trans	-106	140.7	178	-66.2	-169.2	174.2	-148.6	-3.1	110.4	A82 N85 T89	A82-R87 PolarHBondContact O-N 3.44Å; N85-R87 HydrophobicContact CB-CG 4.17Å; N85-R87 PolarHBondContact O-N 2.83Å; R87-T89 VanDerWaalsContact C-N 3.34Å
88	S	96	Very high	96.3	Very high	128 Å²	128	83.1 Å²	83.1	90%	0.895	41%	0.411	S	S	*	.	S	Bend	trans	-87.3	-4.8	172.6	56.4	0	0	0	0	113.3
89	T	97.2	Very high	96.2	Very high	93 Å²	93	84 Å²	84	57%	0.571	42%	0.416	S	S	*	.	S	Bend	trans	-127.2	127	-175.9	-55.5	0	0	0	0	109.9	R87	R87-T89 VanDerWaalsContact C-N 3.34Å
90	I	96.8	Very high	96.2	Very high	76 Å²	76	87.7 Å²	87.7	39%	0.39	42%	0.42	S	S	.	.			trans	-76.6	123.6	171.8	-60.7	174.7	0	0	0	108.3	A78 A82 E94 I95	A78-I90 HydrophobicContact CB-CG2 3.96Å; A82-I90 HydrophobicContact CB-CG1 3.95Å; I90-E94 HydrophobicContact CG2-CB 4Å; I90-I95 HydrophobicContact CG2-CD1 3.75Å; I90-I95 HydrophobicContact CG2-CG1 3.94Å
91	T	94	Very high	96.1	Very high	44 Å²	44	86.9 Å²	86.9	27%	0.27	42%	0.424	S	S	.	.			trans	-100.9	172	176.3	81.3	0	0	0	0	111.1	R93 E94 I95	T91-R93 PolarHBondContact O-N 3.07Å; T91-R93 VanDerWaalsContact O-N 3.14Å; T91-R93 WeakPolarHBondContact OG1-CB 3.42Å; T91-R93 PolarHBondContact OG1-N 2.83Å; T91-E94 VanDerWaalsContact CA-OE2 3.31Å; T91-E94 WeakPolarHBondContact CA-OE2 3.48Å; T91-E94 WeakPolarHBondContact CB-OE2 3.49Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.32Å; T91-E94 PolarHBondContact N-OE2 2.99Å; T91-E94 PolarHBondContact O-N 3.36Å; T91-E94 PolarHBondContact OG1-OE2 3.03Å; T91-I95 PolarHBondContact O-N 3.48Å
92	S	91.7	Very high	96.1	Very high	87 Å²	87	88.4 Å²	88.4	61%	0.608	43%	0.432	S	S	*	.	H	α-helix	trans	-56.5	-27.2	172.4	54.6	0	0	0	0	112.8	I95 Q96	S92-I95 PolarHBondContact O-N 2.9Å; S92-Q96 WeakPolarHBondContact O-CB 3.47Å; S92-Q96 VanDerWaalsContact O-CG 3.28Å; S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.4Å
93	R	92.8	Very high	96	Very high	162 Å²	162	90.1 Å²	90.1	61%	0.611	44%	0.441	S	S	*	.	H	α-helix	trans	-68.9	-43.1	178.1	-173.8	176.4	-178.4	-100.4	1.1	112.3	T91 I95 Q96 T97	T91-R93 PolarHBondContact O-N 3.07Å; T91-R93 VanDerWaalsContact O-N 3.14Å; T91-R93 WeakPolarHBondContact OG1-CB 3.42Å; T91-R93 PolarHBondContact OG1-N 2.83Å; R93-I95 VanDerWaalsContact C-N 3.35Å; R93-Q96 PolarHBondContact O-N 3.42Å; R93-T97 WeakPolarHBondContact O-CB 3.44Å; R93-T97 PolarHBondContact O-N 3.29Å; R93-T97 PolarHBondContact O-OG1 3.01Å
94	E	95.2	Very high	95.9	Very high	4 Å²	4	87.5 Å²	87.5	2%	0.019	44%	0.437	C	S	.	.	H	α-helix	trans	-64.4	-42.2	175.3	-75.4	76.6	-153.3	0	0	110.6	A78 L81 A82 N85 I90 T91 T97 A98	A78-E94 HydrophobicContact CB-CB 4.25Å; L81-E94 HydrophobicContact CB-CB 4.18Å; L81-E94 HydrophobicContact CB-CG 3.79Å; L81-E94 WeakPolarHBondContact CD1-O 3.18Å; A82-E94 HydrophobicContact CB-CG 4.22Å; N85-E94 PolarHBondContact ND2-OE1 3.38Å; I90-E94 HydrophobicContact CG2-CB 4Å; T91-E94 VanDerWaalsContact CA-OE2 3.31Å; T91-E94 WeakPolarHBondContact CA-OE2 3.48Å; T91-E94 WeakPolarHBondContact CB-OE2 3.49Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.32Å; T91-E94 PolarHBondContact N-OE2 2.99Å; T91-E94 PolarHBondContact O-N 3.36Å; T91-E94 PolarHBondContact OG1-OE2 3.03Å; E94-T97 PolarHBondContact O-N 3.29Å; E94-A98 VanDerWaalsContact O-CB 3.24Å; E94-A98 WeakPolarHBondContact O-CB 3.46Å; E94-A98 PolarHBondContact O-N 3.26Å
95	I	96	Very high	95.8	Very high	73 Å²	73	82 Å²	82	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-48.5	176.8	-59.1	-67.4	0	0	0	111.3	I74 A78 I90 T91 S92 R93 T97 A98 V99	I74-I95 HydrophobicContact CG2-CG2 4.41Å; A78-I95 HydrophobicContact CB-CD1 3.68Å; I90-I95 HydrophobicContact CG2-CD1 3.75Å; I90-I95 HydrophobicContact CG2-CG1 3.94Å; T91-I95 PolarHBondContact O-N 3.48Å; S92-I95 PolarHBondContact O-N 2.9Å; R93-I95 VanDerWaalsContact C-N 3.35Å; I95-T97 VanDerWaalsContact C-N 3.34Å; I95-T97 PolarHBondContact O-N 2.96Å; I95-A98 PolarHBondContact O-N 3.17Å; I95-V99 VanDerWaalsContact O-CG2 3.32Å; I95-V99 WeakPolarHBondContact O-CG2 3.14Å; I95-V99 PolarHBondContact O-N 3Å
96	Q	94.9	Very high	95.8	Very high	69 Å²	69	83.6 Å²	83.6	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-40.4	178.9	-74.1	176.6	13.5	0	0	112.2	S92 R93 V99 R100	S92-Q96 WeakPolarHBondContact O-CB 3.47Å; S92-Q96 VanDerWaalsContact O-CG 3.28Å; S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.4Å; R93-Q96 PolarHBondContact O-N 3.42Å; Q96-V99 PolarHBondContact O-N 3.22Å; Q96-R100 WeakPolarHBondContact O-CG 3.31Å; Q96-R100 PolarHBondContact O-N 3.42Å
97	T	96.2	Very high	95.7	Very high	41 Å²	41	79 Å²	79	25%	0.252	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-43.4	177.2	-54.2	0	0	0	0	110.9	L81 R93 E94 I95 V99 R100 L101	L81-T97 HydrophobicContact CD1-CG2 3.73Å; L81-T97 HydrophobicContact CD2-CG2 4.23Å; R93-T97 WeakPolarHBondContact O-CB 3.44Å; R93-T97 PolarHBondContact O-N 3.29Å; R93-T97 PolarHBondContact O-OG1 3.01Å; E94-T97 PolarHBondContact O-N 3.29Å; I95-T97 VanDerWaalsContact C-N 3.34Å; I95-T97 PolarHBondContact O-N 2.96Å; T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 3.4Å; T97-R100 WeakPolarHBondContact O-CB 3.21Å; T97-R100 PolarHBondContact O-N 3.49Å; T97-R100 VanDerWaalsContact O-N 3.07Å; T97-L101 HydrophobicContact CG2-CD1 4.32Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3Å
98	A	97.3	Very high	95.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-57.1	-43.9	175.3	0	0	0	0	0	112.2	I74 E77 A78 L81 E94 I95 R100 L101 L102	I74-A98 HydrophobicContact CG2-CB 4.21Å; E77-A98 HydrophobicContact CB-CB 3.79Å; E77-A98 HydrophobicContact CG-CB 3.82Å; A78-A98 HydrophobicContact CB-CB 3.98Å; L81-A98 HydrophobicContact CD1-CB 4.14Å; E94-A98 VanDerWaalsContact O-CB 3.24Å; E94-A98 WeakPolarHBondContact O-CB 3.46Å; E94-A98 PolarHBondContact O-N 3.26Å; I95-A98 PolarHBondContact O-N 3.17Å; A98-R100 VanDerWaalsContact C-N 3.31Å; A98-R100 PolarHBondContact O-N 3.02Å; A98-L101 PolarHBondContact O-N 3.49Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.44Å
99	V	97.2	Very high	95.6	Very high	20 Å²	20	72.5 Å²	72.5	12%	0.121	38%	0.384	C	S	.	.	H	α-helix	trans	-59.5	-42.1	175	170.8	0	0	0	0	111.5	I74 I95 Q96 T97 L101 L102 L103 A111 V112	I74-V99 HydrophobicContact CD1-CG2 3.96Å; I74-V99 HydrophobicContact CG1-CG2 4.26Å; I74-V99 HydrophobicContact CG2-CG2 4.15Å; I95-V99 VanDerWaalsContact O-CG2 3.32Å; I95-V99 WeakPolarHBondContact O-CG2 3.14Å; I95-V99 PolarHBondContact O-N 3Å; Q96-V99 PolarHBondContact O-N 3.22Å; T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 3.4Å; V99-L101 VanDerWaalsContact C-N 3.32Å; V99-L101 PolarHBondContact O-N 3.4Å; V99-L102 PolarHBondContact O-N 3.26Å; V99-L103 HydrophobicContact CG1-CD1 3.9Å; V99-L103 HydrophobicContact CG1-CG 4.5Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 PolarHBondContact O-N 3.06Å; V99-A111 HydrophobicContact CG1-CB 3.63Å; V99-V112 HydrophobicContact CB-CG2 4.42Å; V99-V112 HydrophobicContact CG1-CG2 3.99Å
100	R	96	Very high	95.6	Very high	142 Å²	142	73.4 Å²	73.4	54%	0.536	38%	0.381	S	S	.	.	H	α-helix	trans	-67.8	-29.9	177.5	-69.1	176	-177.5	149.2	-0.2	113.5	Q96 T97 A98 A108 V112	Q96-R100 WeakPolarHBondContact O-CG 3.31Å; Q96-R100 PolarHBondContact O-N 3.42Å; T97-R100 WeakPolarHBondContact O-CB 3.21Å; T97-R100 PolarHBondContact O-N 3.49Å; T97-R100 VanDerWaalsContact O-N 3.07Å; A98-R100 VanDerWaalsContact C-N 3.31Å; A98-R100 PolarHBondContact O-N 3.02Å; R100-A108 HydrophobicContact CG-CB 4.45Å; R100-V112 HydrophobicContact CG-CG2 3.81Å
101	L	96.9	Very high	95.5	Very high	104 Å²	104	71.6 Å²	71.6	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-75.8	-35.8	177.1	-69.8	173	0	0	0	112	E77 L81 T97 A98 V99	E77-L101 HydrophobicContact CG-CB 4.27Å; E77-L101 HydrophobicContact CG-CD1 3.85Å; L81-L101 HydrophobicContact CD1-CD1 4.27Å; L81-L101 HydrophobicContact CD2-CD1 4.28Å; T97-L101 HydrophobicContact CG2-CD1 4.32Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3Å; A98-L101 PolarHBondContact O-N 3.49Å; V99-L101 VanDerWaalsContact C-N 3.32Å; V99-L101 PolarHBondContact O-N 3.4Å
102	L	96.8	Very high	95.5	Very high	61 Å²	61	70.3 Å²	70.3	32%	0.319	37%	0.369	S	S	.	.	H	α-helix	trans	-86.8	-29.7	-175.5	-69.7	167.7	0	0	0	114	R73 I74 E77 A98 V99	R73-L102 VanDerWaalsContact C-CD1 3.42Å; R73-L102 HydrophobicContact CB-CD1 3.88Å; R73-L102 HydrophobicContact CB-CD2 4.17Å; R73-L102 WeakPolarHBondContact O-CD1 3.5Å; I74-L102 VanDerWaalsContact CA-CD1 3.42Å; I74-L102 HydrophobicContact CB-CD1 4.11Å; I74-L102 HydrophobicContact CG1-CD1 3.55Å; E77-L102 HydrophobicContact CB-CD1 4.16Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.44Å; V99-L102 PolarHBondContact O-N 3.26Å
103	L	95.6	Very high	95.6	Very high	42 Å²	42	68.7 Å²	68.7	22%	0.22	36%	0.358	C	S	.	.	S	Bend	trans	-104.7	129.7	-176.9	-59.6	-176.8	0	0	0	111.2	V99 L107 A108 A111	V99-L103 HydrophobicContact CG1-CD1 3.9Å; V99-L103 HydrophobicContact CG1-CG 4.5Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 PolarHBondContact O-N 3.06Å; L103-L107 HydrophobicContact CB-CB 4.05Å; L103-A108 HydrophobicContact CB-CB 4.15Å; L103-A108 VanDerWaalsContact O-CB 3.27Å; L103-A108 WeakPolarHBondContact O-CB 3.43Å; L103-A111 HydrophobicContact CD1-CB 3.6Å
104	P	95.9	Very high	95.7	Very high	93 Å²	93	65.7 Å²	65.7	60%	0.604	35%	0.351	S	S	*	.			trans	-80.8	148.5	-179.7	31.3	-35	0	0	0	112.8	E106 L107	P104-E106 PolarHBondContact O-N 2.92Å; P104-L107 HydrophobicContact CG-CD1 4.24Å; P104-L107 WeakPolarHBondContact O-CB 3.47Å; P104-L107 PolarHBondContact O-N 3.17Å
105	G	95.4	Very high	95.5	Very high	56 Å²	56	67.2 Å²	67.2	58%	0.577	37%	0.368	S	S	*	.	H	α-helix	trans	51.2	-125.1	163.1	0	0	0	0	0	115.1	L107 A108 K109	G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3.36Å; G105-A108 PolarHBondContact O-N 2.95Å; G105-K109 PolarHBondContact O-N 2.87Å
106	E	95.7	Very high	95.3	Very high	106 Å²	106	67 Å²	67	50%	0.495	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-32.8	-179.3	-68.7	-55.9	124.6	0	0	112.5	P104 A108 K109 H110	P104-E106 PolarHBondContact O-N 2.92Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 3.42Å; E106-K109 PolarHBondContact O-N 3.44Å; E106-K109 VanDerWaalsContact O-N 3.1Å; E106-K109 WeakPolarHBondContact OE1-CD 3.3Å; E106-K109 WeakPolarHBondContact OE1-CE 3.49Å; E106-K109 IonicContact OE1-NZ 2.71Å; E106-K109 PolarHBondContact OE1-NZ 3.39Å; E106-H110 PolarHBondContact O-CD2 3.45Å; E106-H110 PolarHBondContact O-N 3.18Å; E106-H110 IonicContact OE2-NE2 3.6Å
107	L	95.6	Very high	95.2	Very high	107 Å²	107	69.3 Å²	69.3	56%	0.56	38%	0.379	S	S	*	.	H	α-helix	trans	-60.3	-41.5	179.7	-65.9	174.5	0	0	0	111.9	L103 P104 G105 A111	L103-L107 HydrophobicContact CB-CB 4.05Å; P104-L107 HydrophobicContact CG-CD1 4.24Å; P104-L107 WeakPolarHBondContact O-CB 3.47Å; P104-L107 PolarHBondContact O-N 3.17Å; G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3.36Å; L107-A111 WeakPolarHBondContact O-CB 3.48Å; L107-A111 PolarHBondContact O-N 3.1Å
108	A	95.7	Very high	94.9	Very high	11 Å²	11	70 Å²	70	9%	0.091	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-42	174.9	0	0	0	0	0	112.3	R100 L103 G105 E106 A111 V112	R100-A108 HydrophobicContact CG-CB 4.45Å; L103-A108 HydrophobicContact CB-CB 4.15Å; L103-A108 VanDerWaalsContact O-CB 3.27Å; L103-A108 WeakPolarHBondContact O-CB 3.43Å; G105-A108 PolarHBondContact O-N 2.95Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 3.42Å; A108-A111 PolarHBondContact O-N 3.42Å; A108-V112 WeakPolarHBondContact O-CB 3.4Å; A108-V112 WeakPolarHBondContact O-CG2 3.35Å; A108-V112 PolarHBondContact O-N 2.59Å
109	K	95.2	Very high	94.6	Very high	131 Å²	131	74.4 Å²	74.4	57%	0.57	42%	0.416	S	S	*	.	H	α-helix	trans	-61.4	-48.4	178.5	-64.7	-179.4	-172.2	168	0	110.8	G105 E106 S113	G105-K109 PolarHBondContact O-N 2.87Å; E106-K109 PolarHBondContact O-N 3.44Å; E106-K109 VanDerWaalsContact O-N 3.1Å; E106-K109 WeakPolarHBondContact OE1-CD 3.3Å; E106-K109 WeakPolarHBondContact OE1-CE 3.49Å; E106-K109 IonicContact OE1-NZ 2.71Å; E106-K109 PolarHBondContact OE1-NZ 3.39Å; K109-S113 WeakPolarHBondContact O-CB 3.43Å; K109-S113 PolarHBondContact O-N 3Å
110	H	95.7	Very high	94.2	Very high	113 Å²	113	77.5 Å²	77.5	52%	0.523	44%	0.435	S	S	.	.	H	α-helix	trans	-62.5	-50.1	176.9	-76	-75.8	0	0	0	111.5	E106 V112 S113 E114	E106-H110 PolarHBondContact O-CD2 3.45Å; E106-H110 PolarHBondContact O-N 3.18Å; E106-H110 IonicContact OE2-NE2 3.6Å; H110-V112 PolarHBondContact O-N 2.82Å; H110-S113 PolarHBondContact O-N 3.25Å; H110-E114 WeakPolarHBondContact O-CB 3.43Å; H110-E114 VanDerWaalsContact O-CG 3.31Å; H110-E114 WeakPolarHBondContact O-CG 3.27Å; H110-E114 PolarHBondContact O-N 3.28Å
111	A	95.1	Very high	94.1	Very high	38 Å²	38	78 Å²	78	31%	0.314	44%	0.442	S	S	.	.	H	α-helix	trans	-60.7	-43.3	-177.1	0	0	0	0	0	112.8	V99 L103 L107 A108 G115	V99-A111 HydrophobicContact CG1-CB 3.63Å; L103-A111 HydrophobicContact CD1-CB 3.6Å; L107-A111 WeakPolarHBondContact O-CB 3.48Å; L107-A111 PolarHBondContact O-N 3.1Å; A108-A111 PolarHBondContact O-N 3.42Å; A111-G115 PolarHBondContact O-N 2.76Å
112	V	94.3	Very high	93.8	Very high	16 Å²	16	81.6 Å²	81.6	10%	0.097	45%	0.449	C	S	.	.	H	α-helix	trans	-71.4	-40.2	178.6	175.9	0	0	0	0	111.6	V99 R100 A108 H110 T116	V99-V112 HydrophobicContact CB-CG2 4.42Å; V99-V112 HydrophobicContact CG1-CG2 3.99Å; R100-V112 HydrophobicContact CG-CG2 3.81Å; A108-V112 WeakPolarHBondContact O-CB 3.4Å; A108-V112 WeakPolarHBondContact O-CG2 3.35Å; A108-V112 PolarHBondContact O-N 2.59Å; H110-V112 PolarHBondContact O-N 2.82Å; V112-T116 WeakPolarHBondContact O-CB 3.48Å; V112-T116 PolarHBondContact O-N 3.03Å; V112-T116 PolarHBondContact O-OG1 3.41Å
113	S	94.6	Very high	93.6	Very high	54 Å²	54	83.1 Å²	83.1	38%	0.378	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-51.2	177.1	-175.7	0	0	0	0	111.4	K109 H110 G115 T116 K117	K109-S113 WeakPolarHBondContact O-CB 3.43Å; K109-S113 PolarHBondContact O-N 3Å; H110-S113 PolarHBondContact O-N 3.25Å; S113-G115 PolarHBondContact O-N 3.26Å; S113-T116 PolarHBondContact O-N 3.44Å; S113-K117 WeakPolarHBondContact O-CG 3.44Å; S113-K117 PolarHBondContact O-N 3.47Å
114	E	93.7	Very high	93.5	Very high	98 Å²	98	85.4 Å²	85.4	46%	0.458	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-39.8	177.7	-68	-52.9	124.9	0	0	111.8	H110 T116 K117 A118	H110-E114 WeakPolarHBondContact O-CB 3.43Å; H110-E114 VanDerWaalsContact O-CG 3.31Å; H110-E114 WeakPolarHBondContact O-CG 3.27Å; H110-E114 PolarHBondContact O-N 3.28Å; E114-T116 VanDerWaalsContact C-N 3.33Å; E114-T116 PolarHBondContact O-N 3.26Å; E114-K117 PolarHBondContact O-N 2.76Å; E114-K117 IonicContact OE1-NZ 2.77Å; E114-K117 PolarHBondContact OE1-NZ 3.19Å; E114-A118 VanDerWaalsContact O-CB 3.29Å; E114-A118 WeakPolarHBondContact O-CB 3.49Å; E114-A118 PolarHBondContact O-N 3.1Å
115	G	92.5	Very high	93.1	Very high	37 Å²	37	85.3 Å²	85.3	38%	0.381	48%	0.482	S	S	.	.	H	α-helix	trans	-58.6	-43.8	174.2	0	0	0	0	0	112.5	A111 S113 A118 V119	A111-G115 PolarHBondContact O-N 2.76Å; S113-G115 PolarHBondContact O-N 3.26Å; G115-A118 PolarHBondContact O-N 3.47Å; G115-V119 WeakPolarHBondContact O-CG2 3.42Å; G115-V119 PolarHBondContact O-N 3.33Å; G115-V119 VanDerWaalsContact O-N 3.13Å
116	T	91.4	Very high	91.7	Very high	68 Å²	68	94.2 Å²	94.2	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-67.1	-44.1	179	-54.3	0	0	0	0	111.6	V112 S113 E114 A118 V119 T120	V112-T116 WeakPolarHBondContact O-CB 3.48Å; V112-T116 PolarHBondContact O-N 3.03Å; V112-T116 PolarHBondContact O-OG1 3.41Å; S113-T116 PolarHBondContact O-N 3.44Å; E114-T116 VanDerWaalsContact C-N 3.33Å; E114-T116 PolarHBondContact O-N 3.26Å; T116-A118 VanDerWaalsContact C-N 3.31Å; T116-A118 PolarHBondContact O-N 3.04Å; T116-V119 PolarHBondContact O-N 3.07Å; T116-T120 PolarHBondContact O-N 2.88Å
117	K	92	Very high	91.5	Very high	117 Å²	117	93.6 Å²	93.6	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-60.1	-41.6	174.3	-67.4	173.4	-167.2	169.1	0	111.7	S113 E114 V119 T120 K121	S113-K117 WeakPolarHBondContact O-CG 3.44Å; S113-K117 PolarHBondContact O-N 3.47Å; E114-K117 PolarHBondContact O-N 2.76Å; E114-K117 IonicContact OE1-NZ 2.77Å; E114-K117 PolarHBondContact OE1-NZ 3.19Å; K117-V119 VanDerWaalsContact C-N 3.31Å; K117-V119 PolarHBondContact O-N 3.33Å; K117-T120 PolarHBondContact O-N 3.39Å; K117-K121 PolarHBondContact O-N 3.48Å
118	A	90.3	Very high	91.3	Very high	57 Å²	57	92.9 Å²	92.9	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-37.4	179.5	0	0	0	0	0	112.1	E114 G115 T116 K121 Y122	E114-A118 VanDerWaalsContact O-CB 3.29Å; E114-A118 WeakPolarHBondContact O-CB 3.49Å; E114-A118 PolarHBondContact O-N 3.1Å; G115-A118 PolarHBondContact O-N 3.47Å; T116-A118 VanDerWaalsContact C-N 3.31Å; T116-A118 PolarHBondContact O-N 3.04Å; A118-K121 PolarHBondContact O-N 3.33Å; A118-Y122 VanDerWaalsContact O-CB 3.3Å; A118-Y122 WeakPolarHBondContact O-CB 3.34Å; A118-Y122 PolarHBondContact O-N 3.25Å
119	V	90	Very high	91	Very high	92 Å²	92	97.4 Å²	97.4	56%	0.558	53%	0.525	S	S	*	.	H	α-helix	trans	-61.3	-47.6	174.8	172.4	0	0	0	0	111	G115 T116 K117 K121 Y122 T123	G115-V119 WeakPolarHBondContact O-CG2 3.42Å; G115-V119 PolarHBondContact O-N 3.33Å; G115-V119 VanDerWaalsContact O-N 3.13Å; T116-V119 PolarHBondContact O-N 3.07Å; K117-V119 VanDerWaalsContact C-N 3.31Å; K117-V119 PolarHBondContact O-N 3.33Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.09Å; V119-Y122 PolarHBondContact O-N 3.15Å; V119-T123 WeakPolarHBondContact O-CG2 3.36Å; V119-T123 PolarHBondContact O-N 2.92Å; V119-T123 PolarHBondContact O-OG1 2.87Å
120	T	90.8	Very high	90.8	Very high	85 Å²	85	95.5 Å²	95.5	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-61.4	-41.3	177.3	-57.3	0	0	0	0	112.2	T116 K117 T123 S124	T116-T120 PolarHBondContact O-N 2.88Å; K117-T120 PolarHBondContact O-N 3.39Å; T120-T123 PolarHBondContact O-OG1 2.78Å; T120-S124 WeakPolarHBondContact O-CB 3.48Å; T120-S124 PolarHBondContact O-N 3.07Å; T120-S124 PolarHBondContact O-OG 2.79Å
121	K	92.7	Very high	90.4	Very high	153 Å²	153	94.4 Å²	94.4	67%	0.665	52%	0.523	S	S	*	.	H	α-helix	trans	-64.5	-43.1	176	-176.5	175.1	-179.2	174.5	0	111.3	K117 A118 V119 S124 S125	K117-K121 PolarHBondContact O-N 3.48Å; A118-K121 PolarHBondContact O-N 3.33Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.09Å; K121-S124 PolarHBondContact O-N 3Å; K121-S125 WeakPolarHBondContact O-CB 3.36Å; K121-S125 PolarHBondContact O-N 3.35Å; K121-S125 PolarHBondContact O-OG 2.71Å
122	Y	90.4	Very high	90.1	Very high	178 Å²	178	98.1 Å²	98.1	70%	0.698	54%	0.536	S	S	*	.	H	α-helix	trans	-63	-43.8	-179	180	-100.2	0	0	0	112.1	A118 V119 S124 S125	A118-Y122 VanDerWaalsContact O-CB 3.3Å; A118-Y122 WeakPolarHBondContact O-CB 3.34Å; A118-Y122 PolarHBondContact O-N 3.25Å; V119-Y122 PolarHBondContact O-N 3.15Å; Y122-S124 VanDerWaalsContact C-N 3.3Å; Y122-S124 PolarHBondContact O-N 2.88Å; Y122-S125 PolarHBondContact O-N 3.29Å
123	T	93	Very high	89.8	Confident	93 Å²	93	104 Å²	104	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-67.5	-31.4	177.7	53.5	0	0	0	0	112.8	V119 T120	V119-T123 WeakPolarHBondContact O-CG2 3.36Å; V119-T123 PolarHBondContact O-N 2.92Å; V119-T123 PolarHBondContact O-OG1 2.87Å; T120-T123 PolarHBondContact O-OG1 2.78Å
124	S	93.5	Very high	89.5	Confident	91 Å²	91	107.8 Å²	107.8	64%	0.636	58%	0.582	S	S	*	*	H	α-helix	trans	-83.4	-18.4	-179.5	-52	0	0	0	0	114.3	T120 K121 Y122	T120-S124 WeakPolarHBondContact O-CB 3.48Å; T120-S124 PolarHBondContact O-N 3.07Å; T120-S124 PolarHBondContact O-OG 2.79Å; K121-S124 PolarHBondContact O-N 3Å; Y122-S124 VanDerWaalsContact C-N 3.3Å; Y122-S124 PolarHBondContact O-N 2.88Å
125	S	88.2	Confident	89.1	Confident	90 Å²	90	108.7 Å²	108.7	63%	0.629	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	5	-173.5	-55.7	0	0	0	0	114.2	K121 Y122	K121-S125 WeakPolarHBondContact O-CB 3.36Å; K121-S125 PolarHBondContact O-N 3.35Å; K121-S125 PolarHBondContact O-OG 2.71Å; Y122-S125 PolarHBondContact O-N 3.29Å
126	K	64.9	Low	88.8	Confident	243 Å²	243	115.2 Å²	115.2	100%	1.057	61%	0.612	S	S	*	*			trans	-107	0	-178.6	-172.6	178.8	-177.7	-179.5	0	111

Retrieved 126 of 126 residues in 55.4 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).