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Histone H2B type 2-E

Core component of nucleosome. Nucleosomes wrap and compact DNA into chromatin, limiting DNA accessibility to the cellular machineries which require DNA as a template. Histones thereby play a central role in transcription regulation, DNA repair, DNA replication and chromosomal stability. DNA accessibility is regulated via a complex set of post-translational modifications of histones, also called histone code, and nucleosome remodeling. Has broad antibacterial activity. May contribute to the formation of the functional antimicrobial barrier of the colonic epithelium, and to the bactericidal activity of amniotic fluid.

AlphaFold DB , UniProt , Accession Q16778, Species HUMAN (Homo sapiens, Human), Gene H2BC21, Length 126 aa.

						>H2B2E_HUMAN|Q16778|H2BC21
MPEPAKSAPAPKKGSKKAVTKAQKKDGKKRKRSRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIAGEASRLAHYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVTKYTSSK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 36.8 ms (Link to these results)

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