A0A096NB70_PAPAN Loading...

Histone H2B

AlphaFold DB (Q8N257), UniProt , Accession A0A096NB70, Species PAPAN (Papio anubis, Olive baboon), Gene H2BC26, Length 126 aa.

						>A0A096NB70_PAPAN|A0A096NB70|H2BC26
MPDPSKSAPAPKKGSKKAVTKAQKKDGKKRKRGRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIASEASRLAHYNKRSTITSREVQTAVRLLLPGELAKHAVSEGTKAVTKYTSSK
					

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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	60	Low	73	Confident	234 Å²	234	135 Å²	135	100%	1.153	83%	0.825	S	S	*	*				0	116	0	-73.4	-65.8	175.1	0	0	107.4
2	P	73	Confident	73.2	Confident	122 Å²	122	140.7 Å²	140.7	79%	0.792	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.5	135.4	173.9	30.5	-30	0	0	0	109.8
3	D	69.5	Low	73.5	Confident	158 Å²	158	146 Å²	146	85%	0.845	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-62.7	137.6	176.9	-91.5	-60	0	0	0	111.5	S5	D3-S5 PolarHBondContact O-N 3.42Å
4	P	73.3	Confident	73.1	Confident	111 Å²	111	140.7 Å²	140.7	72%	0.721	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-66.6	131.1	174.8	25.7	-30.7	0	0	0	111	K6	P4-K6 PolarHBondContact O-N 3.1Å
5	S	72.2	Confident	73.2	Confident	117 Å²	117	139.3 Å²	139.3	82%	0.818	83%	0.83	S	S	*	*			trans	-46.4	108.5	172.1	168.8	0	0	0	0	111.4	D3 S7	D3-S5 PolarHBondContact O-N 3.42Å; S5-S7 PolarHBondContact O-N 3.14Å; S5-S7 VanDerWaalsContact O-N 3.15Å
6	K	72.5	Confident	73.3	Confident	204 Å²	204	143.8 Å²	143.8	89%	0.887	84%	0.836	S	S	*	*			trans	-68	108.9	174.3	-121.2	175.4	-173.6	169.2	0	108.5	P4	P4-K6 PolarHBondContact O-N 3.1Å
7	S	75.8	Confident	73.5	Confident	106 Å²	106	146.9 Å²	146.9	74%	0.741	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-56.3	138.1	170.5	-29.9	0	0	0	0	109.7	S5	S5-S7 PolarHBondContact O-N 3.14Å; S5-S7 VanDerWaalsContact O-N 3.15Å
8	A	77.2	Confident	73.4	Confident	91 Å²	91	144 Å²	144	75%	0.752	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-55.1	136.8	176.6	0	0	0	0	0	110.7	A10	A8-A10 PolarHBondContact O-N 3.32Å
9	P	74.8	Confident	73.6	Confident	128 Å²	128	144.2 Å²	144.2	83%	0.831	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-61.3	131	-179	10	-12.6	0	0	0	110.8
10	A	76.7	Confident	73.9	Confident	85 Å²	85	143.3 Å²	143.3	70%	0.702	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-58.9	139.1	176.4	0	0	0	0	0	110.8	A8 K12	A8-A10 PolarHBondContact O-N 3.32Å; A10-K12 PolarHBondContact O-N 3.32Å
11	P	77.7	Confident	73.8	Confident	129 Å²	129	146.1 Å²	146.1	84%	0.838	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-60.8	129.5	178.3	23	-31.2	0	0	0	110.6	K13	P11-K13 PolarHBondContact O-N 3.33Å
12	K	76.1	Confident	74.5	Confident	203 Å²	203	139.4 Å²	139.4	88%	0.883	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-60.3	126.8	176.3	-70.4	-177	178.9	178.5	0	109.5	A10 G14	A10-K12 PolarHBondContact O-N 3.32Å; K12-G14 PolarHBondContact O-N 3.15Å; K12-G14 VanDerWaalsContact O-N 3.14Å
13	K	76.4	Confident	74.4	Confident	210 Å²	210	142.5 Å²	142.5	91%	0.913	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-52.8	116.6	176.1	-123.7	174.5	-177	172.9	0	109.5	P11	P11-K13 PolarHBondContact O-N 3.33Å
14	G	68.1	Low	74	Confident	72 Å²	72	143.8 Å²	143.8	74%	0.742	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-59.4	139.2	179.4	0	0	0	0	0	112.3	K12	K12-G14 PolarHBondContact O-N 3.15Å; K12-G14 VanDerWaalsContact O-N 3.14Å
15	S	74.3	Confident	73.7	Confident	119 Å²	119	148.4 Å²	148.4	83%	0.832	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-57.7	134.8	177.5	-45.9	0	0	0	0	111.1	K17	S15-K17 PolarHBondContact O-N 3.03Å; S15-K17 VanDerWaalsContact O-N 3.1Å
16	K	75.2	Confident	73.2	Confident	212 Å²	212	149.4 Å²	149.4	92%	0.922	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-52.4	116.6	175.9	-84	179.6	176.2	175.7	0	110	A18	K16-A18 PolarHBondContact O-N 3.45Å
17	K	76.1	Confident	72.4	Confident	197 Å²	197	143.1 Å²	143.1	86%	0.857	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.9	166.8	-78	-176.4	177.5	178.6	0	108.8	S15 V19	S15-K17 PolarHBondContact O-N 3.03Å; S15-K17 VanDerWaalsContact O-N 3.1Å; K17-V19 PolarHBondContact O-N 3.22Å
18	A	73.2	Confident	71.6	Confident	94 Å²	94	147.6 Å²	147.6	78%	0.777	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-60.9	129.8	172.4	0	0	0	0	0	109.8	K16 T20	K16-A18 PolarHBondContact O-N 3.45Å; A18-T20 PolarHBondContact O-N 3.41Å
19	V	76.5	Confident	70.6	Confident	148 Å²	148	153.1 Å²	153.1	90%	0.897	83%	0.831	S	S	*	*			trans	-77	104.6	178.1	-179.3	0	0	0	0	108.2	K17	K17-V19 PolarHBondContact O-N 3.22Å
20	T	79.2	Confident	69.6	Low	125 Å²	125	158.6 Å²	158.6	77%	0.767	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-73.4	137.7	171.6	51.4	0	0	0	0	110.2	A18 A22	A18-T20 PolarHBondContact O-N 3.41Å; T20-A22 PolarHBondContact O-N 3.22Å; T20-A22 VanDerWaalsContact O-N 3.12Å
21	K	72.8	Confident	68.8	Low	203 Å²	203	163.9 Å²	163.9	88%	0.883	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-53.7	116.1	177.5	-164.6	173.2	-174.5	174.3	0	110	Q23	K21-Q23 PolarHBondContact O-N 3.12Å
22	A	74.1	Confident	67.7	Low	94 Å²	94	169.1 Å²	169.1	78%	0.777	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-60.2	122.1	180	0	0	0	0	0	110.1	T20 K24	T20-A22 PolarHBondContact O-N 3.22Å; T20-A22 VanDerWaalsContact O-N 3.12Å; A22-K24 PolarHBondContact O-N 3Å
23	Q	70.3	Confident	66.8	Low	187 Å²	187	162.9 Å²	162.9	87%	0.874	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-64.1	125.8	174.1	-71.6	177.9	-52.3	0	0	109.4	K21 K25	K21-Q23 PolarHBondContact O-N 3.12Å; Q23-K25 PolarHBondContact O-N 3.08Å; Q23-K25 VanDerWaalsContact O-N 3.08Å
24	K	61.4	Low	66.2	Low	184 Å²	184	161.8 Å²	161.8	80%	0.8	83%	0.829	S	S	*	*			trans	-57.1	113.8	171	-86.1	-173.5	170	-174	0	108.9	A22 D26	A22-K24 PolarHBondContact O-N 3Å; K24-D26 PolarHBondContact O-N 3.35Å
25	K	66.9	Low	66.2	Low	209 Å²	209	167.1 Å²	167.1	91%	0.909	83%	0.832	S	S	*	*			trans	-74.1	26.5	174.4	-77.8	-173.7	175.8	176.5	0	113.3	Q23 G27	Q23-K25 PolarHBondContact O-N 3.08Å; Q23-K25 VanDerWaalsContact O-N 3.08Å; K25-G27 VanDerWaalsContact C-N 3.29Å; K25-G27 PolarHBondContact O-N 3.13Å
26	D	61.6	Low	66.3	Low	138 Å²	138	170.5 Å²	170.5	74%	0.738	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	1.3	-171.4	-83.9	-46.1	0	0	0	115.1	K24	K24-D26 PolarHBondContact O-N 3.35Å
27	G	57.2	Low	67	Low	72 Å²	72	162.3 Å²	162.3	74%	0.742	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-5.1	-166	0	0	0	0	0	118.4	K25 K29	K25-G27 VanDerWaalsContact C-N 3.29Å; K25-G27 PolarHBondContact O-N 3.13Å; G27-K29 PolarHBondContact O-N 3.26Å; G27-K29 VanDerWaalsContact O-N 3.13Å
28	K	57.2	Low	67.9	Low	200 Å²	200	156.3 Å²	156.3	87%	0.87	78%	0.776	S	S	*	*	S	Bend	trans	-82.2	103.2	-175.6	-109.5	177.5	-178.5	174	0	110.6	R30	K28-R30 PolarHBondContact O-N 2.95Å
29	K	56.5	Low	68.8	Low	206 Å²	206	153.6 Å²	153.6	90%	0.896	75%	0.751	S	S	*	*			trans	-23.4	108.4	167	-80.7	-177.9	176	177.6	0	110.3	G27 K31	G27-K29 PolarHBondContact O-N 3.26Å; G27-K29 VanDerWaalsContact O-N 3.13Å; K29-K31 PolarHBondContact O-N 3.01Å
30	R	54	Low	69.6	Low	243 Å²	243	149.3 Å²	149.3	92%	0.917	72%	0.723	S	S	*	*			trans	-50.6	99.9	-165.1	-68	170.2	167.5	167.9	-6	110.8	K28 R32	K28-R30 PolarHBondContact O-N 2.95Å; R30-R32 PolarHBondContact O-N 3.39Å; R30-R32 VanDerWaalsContact O-N 3.11Å
31	K	59.3	Low	70.3	Confident	196 Å²	196	150 Å²	150	85%	0.852	71%	0.712	S	S	*	*			trans	-52.5	120.7	149.6	-78.9	-172.7	175.6	-174.6	0	104.5	K29 G33	K29-K31 PolarHBondContact O-N 3.01Å; K31-G33 PolarHBondContact O-N 3.49Å
32	R	55.6	Low	71.4	Confident	239 Å²	239	141.3 Å²	141.3	90%	0.902	68%	0.676	S	S	*	*			trans	-32.3	115.3	178.1	-84.9	179.5	168.2	172.9	-3.9	107.7	R30 R34	R30-R32 PolarHBondContact O-N 3.39Å; R30-R32 VanDerWaalsContact O-N 3.11Å; R32-R34 PolarHBondContact O-N 2.67Å
33	G	57.6	Low	72.5	Confident	73 Å²	73	142.6 Å²	142.6	75%	0.753	66%	0.662	S	S	*	*			trans	-45.2	112.2	-175	0	0	0	0	0	107.1	K31 K35	K31-G33 PolarHBondContact O-N 3.49Å; G33-K35 PolarHBondContact O-N 3.07Å
34	R	62.7	Low	73.7	Confident	187 Å²	187	139.8 Å²	139.8	71%	0.706	65%	0.647	S	S	*	*			trans	-59.3	115.1	-174.1	179	177.8	-176.2	155.1	6.3	104.9	R32 E36	R32-R34 PolarHBondContact O-N 2.67Å; R34-E36 PolarHBondContact O-N 3.36Å
35	K	68.5	Low	75.3	Confident	184 Å²	184	135.2 Å²	135.2	80%	0.8	63%	0.634	S	S	*	*			trans	-50	119.6	177.2	-173.4	174.8	-179.4	178.1	0	106.8	G33 S37	G33-K35 PolarHBondContact O-N 3.07Å; K35-S37 PolarHBondContact O-N 3.07Å; K35-S37 VanDerWaalsContact O-N 3.13Å
36	E	76.4	Confident	76.8	Confident	190 Å²	190	126.7 Å²	126.7	89%	0.888	60%	0.598	S	S	*	*			trans	-56.8	122	177	-67.8	-177.5	165.9	0	0	107	R34	R34-E36 PolarHBondContact O-N 3.36Å
37	S	90.6	Very high	78.5	Confident	39 Å²	39	123.3 Å²	123.3	27%	0.273	58%	0.577	S	S	.	*			trans	-154.1	143.4	-170.7	167.5	0	0	0	0	108.9	K35 S39 N64	K35-S37 PolarHBondContact O-N 3.07Å; K35-S37 VanDerWaalsContact O-N 3.13Å; S37-S39 PolarHBondContact O-N 3.49Å; S37-S39 WeakPolarHBondContact OG-CB 3.36Å; S37-S39 PolarHBondContact OG-N 3.03Å; S37-S39 VanDerWaalsContact OG-N 3.11Å; S37-S39 PolarHBondContact OG-OG 3.39Å; S37-N64 PolarHBondContact OG-OD1 3.27Å
38	Y	93.7	Very high	80.4	Confident	72 Å²	72	127.7 Å²	127.7	28%	0.282	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	-1.4	177	-62.8	-82.4	0	0	0	112.9	I40 Y41 V42 N64 V67 N68	Y38-I40 PolarHBondContact O-N 2.85Å; Y38-I40 VanDerWaalsContact O-N 3.11Å; Y38-Y41 HydrophobicContact CD1-CD2 4.17Å; Y38-Y41 PolarHBondContact O-N 2.84Å; Y38-V42 WeakPolarHBondContact O-CG2 3.49Å; Y38-V42 PolarHBondContact O-N 2.97Å; Y38-N64 PolarHBondContact N-OD1 2.97Å; Y38-V67 HydrophobicContact CD1-CG1 3.67Å; Y38-V67 HydrophobicContact CD2-CB 4.01Å; Y38-V67 HydrophobicContact CD2-CG1 3.57Å; Y38-V67 HydrophobicContact CE1-CG1 3.8Å; Y38-V67 HydrophobicContact CE2-CB 4.46Å; Y38-V67 HydrophobicContact CE2-CG1 3.72Å; Y38-V67 HydrophobicContact CG-CB 4.12Å; Y38-V67 HydrophobicContact CG-CG1 3.55Å; Y38-N68 WeakPolarHBondContact CE2-OD1 3.3Å
39	S	92.8	Very high	82.3	Confident	36 Å²	36	122.5 Å²	122.5	25%	0.252	56%	0.563	S	S	.	*	H	α-helix	trans	-54.5	-35.2	-175	-59.7	0	0	0	0	114.5	S37 Y41 Y43 M60	S37-S39 PolarHBondContact O-N 3.49Å; S37-S39 WeakPolarHBondContact OG-CB 3.36Å; S37-S39 PolarHBondContact OG-N 3.03Å; S37-S39 VanDerWaalsContact OG-N 3.11Å; S37-S39 PolarHBondContact OG-OG 3.39Å; S39-Y41 VanDerWaalsContact C-N 3.31Å; S39-Y41 PolarHBondContact O-N 3.11Å; S39-Y43 WeakPolarHBondContact O-CB 3.47Å; S39-Y43 PolarHBondContact O-N 2.85Å; S39-M60 VanDerWaalsContact CA-SD 3.53Å; S39-M60 VanDerWaalsContact CB-SD 3.57Å; S39-M60 WeakPolarHBondContact OG-CG 3.5Å
40	I	93.6	Very high	84.3	Confident	58 Å²	58	117.7 Å²	117.7	30%	0.297	54%	0.544	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176.2	-62.8	163.4	0	0	0	110.2	Y38 Y43 K44	Y38-I40 PolarHBondContact O-N 2.85Å; Y38-I40 VanDerWaalsContact O-N 3.11Å; I40-Y43 PolarHBondContact O-N 3.38Å; I40-K44 HydrophobicContact CG2-CD 4.19Å; I40-K44 HydrophobicContact CG2-CG 4.5Å; I40-K44 WeakPolarHBondContact O-CG 3.18Å; I40-K44 PolarHBondContact O-N 3.17Å
41	Y	94.3	Very high	86.3	Confident	139 Å²	139	109.9 Å²	109.9	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-74.8	-39.6	-175.9	-52.1	-69.9	0	0	0	111.2	Y38 S39 Y43 K44 V45	Y38-Y41 HydrophobicContact CD1-CD2 4.17Å; Y38-Y41 PolarHBondContact O-N 2.84Å; S39-Y41 VanDerWaalsContact C-N 3.31Å; S39-Y41 PolarHBondContact O-N 3.11Å; Y41-Y43 VanDerWaalsContact C-N 3.27Å; Y41-Y43 PolarHBondContact O-N 2.81Å; Y41-K44 PolarHBondContact O-N 2.92Å; Y41-V45 WeakPolarHBondContact O-CG2 3.5Å; Y41-V45 PolarHBondContact O-N 2.94Å
42	V	96	Very high	88.1	Confident	21 Å²	21	108.3 Å²	108.3	13%	0.127	53%	0.525	C	S	.	.	H	α-helix	trans	-55.6	-46.2	171.6	176.2	0	0	0	0	110.1	Y38 L46 I55 M60 M63	Y38-V42 WeakPolarHBondContact O-CG2 3.49Å; Y38-V42 PolarHBondContact O-N 2.97Å; V42-L46 VanDerWaalsContact O-CB 3.29Å; V42-L46 WeakPolarHBondContact O-CB 3.3Å; V42-L46 PolarHBondContact O-N 3.24Å; V42-I55 HydrophobicContact CG1-CD1 4.13Å; V42-M60 HydrophobicContact CB-CE 4.3Å; V42-M60 HydrophobicContact CB-SD 3.77Å; V42-M60 HydrophobicContact CG1-CE 4Å; V42-M60 HydrophobicContact CG1-SD 3.71Å; V42-M60 HydrophobicContact CG2-SD 4.39Å; V42-M63 HydrophobicContact CG1-CB 4.02Å; V42-M63 HydrophobicContact CG1-CG 4.22Å; V42-M63 HydrophobicContact CG2-CB 4.08Å
43	Y	95.9	Very high	90.1	Very high	122 Å²	122	100.2 Å²	100.2	48%	0.478	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-42.7	177.4	-171.9	-95.2	0	0	0	113	S39 I40 Y41 L46 K47	S39-Y43 WeakPolarHBondContact O-CB 3.47Å; S39-Y43 PolarHBondContact O-N 2.85Å; I40-Y43 PolarHBondContact O-N 3.38Å; Y41-Y43 VanDerWaalsContact C-N 3.27Å; Y41-Y43 PolarHBondContact O-N 2.81Å; Y43-L46 PolarHBondContact O-N 3.26Å; Y43-K47 HydrophobicContact CD1-CG 4.22Å; Y43-K47 HydrophobicContact CE1-CG 3.76Å; Y43-K47 HydrophobicContact CE2-CG 4.33Å; Y43-K47 PolarHBondContact O-N 3.2Å; Y43-K47 WeakPolarHBondContact OH-CE 3.39Å
44	K	95.6	Very high	91.9	Very high	128 Å²	128	99.5 Å²	99.5	56%	0.557	50%	0.495	S	S	*	.	H	α-helix	trans	-60.4	-45.9	177.4	-78.5	179.7	176.9	-173.7	0	112.1	I40 Y41 Q48	I40-K44 HydrophobicContact CG2-CD 4.19Å; I40-K44 HydrophobicContact CG2-CG 4.5Å; I40-K44 WeakPolarHBondContact O-CG 3.18Å; I40-K44 PolarHBondContact O-N 3.17Å; Y41-K44 PolarHBondContact O-N 2.92Å; K44-Q48 WeakPolarHBondContact O-CB 3.49Å; K44-Q48 PolarHBondContact O-N 3.32Å; K44-Q48 VanDerWaalsContact O-N 3.12Å
45	V	96	Very high	93.6	Very high	87 Å²	87	93.3 Å²	93.3	53%	0.527	48%	0.475	S	S	.	.	H	α-helix	trans	-67.1	-43.1	178.2	175.3	0	0	0	0	110.3	Y41 K47 Q48 V49	Y41-V45 WeakPolarHBondContact O-CG2 3.5Å; Y41-V45 PolarHBondContact O-N 2.94Å; V45-K47 PolarHBondContact O-N 2.52Å; V45-Q48 WeakPolarHBondContact O-CB 3.49Å; V45-Q48 PolarHBondContact O-N 3.27Å; V45-Q48 VanDerWaalsContact O-N 3.13Å; V45-V49 HydrophobicContact CG1-CG2 4.41Å; V45-V49 WeakPolarHBondContact O-CG2 3.32Å; V45-V49 PolarHBondContact O-N 3.37Å
46	L	97.3	Very high	95	Very high	31 Å²	31	88 Å²	88	16%	0.162	46%	0.461	C	S	.	.	H	α-helix	trans	-55.6	-48.9	176.1	176	64.8	0	0	0	111.6	V42 Y43 Q48 V49 H50 I55	V42-L46 VanDerWaalsContact O-CB 3.29Å; V42-L46 WeakPolarHBondContact O-CB 3.3Å; V42-L46 PolarHBondContact O-N 3.24Å; Y43-L46 PolarHBondContact O-N 3.26Å; L46-Q48 VanDerWaalsContact C-N 3.27Å; L46-Q48 PolarHBondContact O-N 3.14Å; L46-V49 PolarHBondContact O-N 3.21Å; L46-H50 HydrophobicContact CD1-CB 4.32Å; L46-H50 CarbonylContact O-C 3.52Å; L46-H50 WeakPolarHBondContact O-CA 3.35Å; L46-H50 PolarHBondContact O-N 3.27Å; L46-I55 HydrophobicContact CD2-CB 3.69Å; L46-I55 HydrophobicContact CD2-CG2 3.56Å
47	K	97.7	Very high	95.9	Very high	66 Å²	66	84.2 Å²	84.2	29%	0.287	46%	0.456	S	S	.	.	H	α-helix	trans	-71.1	-20.7	-179.9	-68.8	-52.1	-167.4	-176.9	0	114.2	Y43 V45 P51 T53	Y43-K47 HydrophobicContact CD1-CG 4.22Å; Y43-K47 HydrophobicContact CE1-CG 3.76Å; Y43-K47 HydrophobicContact CE2-CG 4.33Å; Y43-K47 PolarHBondContact O-N 3.2Å; Y43-K47 WeakPolarHBondContact OH-CE 3.39Å; V45-K47 PolarHBondContact O-N 2.52Å; K47-P51 WeakPolarHBondContact CD-O 3.27Å; K47-P51 PolarHBondContact NZ-O 3.01Å; K47-T53 PolarHBondContact NZ-O 3.44Å
48	Q	96.6	Very high	96.2	Very high	165 Å²	165	90.2 Å²	90.2	77%	0.771	48%	0.477	S	S	*	.	H	α-helix	trans	-75.6	-34.8	172.5	-173.4	-179.8	-37.6	0	0	112.1	K44 V45 L46	K44-Q48 WeakPolarHBondContact O-CB 3.49Å; K44-Q48 PolarHBondContact O-N 3.32Å; K44-Q48 VanDerWaalsContact O-N 3.12Å; V45-Q48 WeakPolarHBondContact O-CB 3.49Å; V45-Q48 PolarHBondContact O-N 3.27Å; V45-Q48 VanDerWaalsContact O-N 3.13Å; L46-Q48 VanDerWaalsContact C-N 3.27Å; L46-Q48 PolarHBondContact O-N 3.14Å
49	V	97.7	Very high	96.4	Very high	91 Å²	91	88.2 Å²	88.2	55%	0.552	48%	0.476	S	S	*	.	H	α-helix	trans	-94.4	-38	-176.8	-177.3	0	0	0	0	112.3	V45 L46	V45-V49 HydrophobicContact CG1-CG2 4.41Å; V45-V49 WeakPolarHBondContact O-CG2 3.32Å; V45-V49 PolarHBondContact O-N 3.37Å; L46-V49 PolarHBondContact O-N 3.21Å
50	H	97.4	Very high	96.6	Very high	105 Å²	105	87.9 Å²	87.9	49%	0.486	47%	0.471	S	S	.	.			trans	-136.1	84.4	-179.5	-61.6	-60.5	0	0	0	110.9	L46 D52 T53	L46-H50 HydrophobicContact CD1-CB 4.32Å; L46-H50 CarbonylContact O-C 3.52Å; L46-H50 WeakPolarHBondContact O-CA 3.35Å; L46-H50 PolarHBondContact O-N 3.27Å; H50-D52 VanDerWaalsContact C-N 3.26Å; H50-D52 PolarHBondContact O-N 3.29Å; H50-T53 PolarHBondContact O-N 3.34Å
51	P	97.4	Very high	96.7	Very high	79 Å²	79	86.8 Å²	86.8	51%	0.513	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.6	-177.6	-26.1	35.4	0	0	0	113.8	K47	K47-P51 WeakPolarHBondContact CD-O 3.27Å; K47-P51 PolarHBondContact NZ-O 3.01Å
52	D	97.5	Very high	96.8	Very high	162 Å²	162	85.3 Å²	85.3	87%	0.866	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.8	-173.9	-53.3	-46	0	0	0	113.7	H50	H50-D52 VanDerWaalsContact C-N 3.26Å; H50-D52 PolarHBondContact O-N 3.29Å
53	T	97	Very high	96.9	Very high	69 Å²	69	88 Å²	88	42%	0.423	49%	0.486	S	S	.	.			trans	-96.2	138.8	-177.2	-57	0	0	0	0	111.6	K47 H50	K47-T53 PolarHBondContact NZ-O 3.44Å; H50-T53 PolarHBondContact O-N 3.34Å
54	G	96.4	Very high	96.9	Very high	59 Å²	59	83.5 Å²	83.5	61%	0.608	47%	0.471	S	S	*	.			trans	-99.4	170.3	171.2	0	0	0	0	0	112.5
55	I	97.4	Very high	96.9	Very high	56 Å²	56	81 Å²	81	29%	0.287	47%	0.469	S	S	.	.			trans	-134.3	134	174.7	-175.3	169.9	0	0	0	109.5	V42 L46 A59 M60 M63	V42-I55 HydrophobicContact CG1-CD1 4.13Å; L46-I55 HydrophobicContact CD2-CB 3.69Å; L46-I55 HydrophobicContact CD2-CG2 3.56Å; I55-A59 HydrophobicContact CD1-CB 4.06Å; I55-A59 HydrophobicContact CG1-CB 3.62Å; I55-M60 HydrophobicContact CD1-CE 4.35Å; I55-M60 HydrophobicContact CG2-CE 3.49Å; I55-M60 VanDerWaalsContact CG2-CE 3.49Å; I55-M63 HydrophobicContact CD1-CG 4.21Å
56	S	97.4	Very high	97	Very high	72 Å²	72	82.4 Å²	82.4	50%	0.503	47%	0.468	S	S	.	.			trans	-71.3	159.8	178.9	72	0	0	0	0	111.8	K58 A59 M60	S56-K58 VanDerWaalsContact C-N 3.28Å; S56-K58 PolarHBondContact O-N 2.88Å; S56-A59 PolarHBondContact O-N 3.29Å; S56-A59 WeakPolarHBondContact OG-CB 3.33Å; S56-A59 PolarHBondContact OG-N 3.42Å; S56-A59 VanDerWaalsContact OG-N 3.15Å; S56-M60 WeakPolarHBondContact O-CB 3.43Å; S56-M60 PolarHBondContact O-N 3.16Å
57	S	95.8	Very high	96.9	Very high	112 Å²	112	83 Å²	83	78%	0.783	47%	0.473	S	S	*	.	H	α-helix	trans	-60.2	-38.1	175.6	56.4	0	0	0	0	112.5	M60 G61	S57-M60 WeakPolarHBondContact O-CB 3.35Å; S57-M60 PolarHBondContact O-N 3.37Å; S57-G61 PolarHBondContact O-N 3.13Å
58	K	97.2	Very high	96.8	Very high	164 Å²	164	82.4 Å²	82.4	71%	0.713	47%	0.473	S	S	*	.	H	α-helix	trans	-64	-48	175.8	-172.1	176.2	-178	178.9	0	111.3	S56 M60 G61 I62	S56-K58 VanDerWaalsContact C-N 3.28Å; S56-K58 PolarHBondContact O-N 2.88Å; K58-M60 VanDerWaalsContact C-N 3.33Å; K58-M60 PolarHBondContact O-N 3.03Å; K58-G61 PolarHBondContact O-N 3.01Å; K58-I62 HydrophobicContact CG-CD1 4.42Å; K58-I62 WeakPolarHBondContact O-CG1 3.29Å; K58-I62 PolarHBondContact O-N 3.43Å
59	A	97.7	Very high	96.8	Very high	31 Å²	31	77.7 Å²	77.7	26%	0.256	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-39.6	177	0	0	0	0	0	111.7	I55 S56 G61 I62 M63	I55-A59 HydrophobicContact CD1-CB 4.06Å; I55-A59 HydrophobicContact CG1-CB 3.62Å; S56-A59 PolarHBondContact O-N 3.29Å; S56-A59 WeakPolarHBondContact OG-CB 3.33Å; S56-A59 PolarHBondContact OG-N 3.42Å; S56-A59 VanDerWaalsContact OG-N 3.15Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 3.27Å; A59-I62 PolarHBondContact O-N 3.22Å; A59-M63 WeakPolarHBondContact O-CG 3.25Å; A59-M63 PolarHBondContact O-N 3.49Å
60	M	96.2	Very high	96.8	Very high	28 Å²	28	75.7 Å²	75.7	14%	0.138	44%	0.439	C	S	.	.	H	α-helix	trans	-59.1	-40.8	173.3	-175.4	61.3	71	0	0	112.1	S39 V42 I55 S56 S57 K58 N64	S39-M60 VanDerWaalsContact CA-SD 3.53Å; S39-M60 VanDerWaalsContact CB-SD 3.57Å; S39-M60 WeakPolarHBondContact OG-CG 3.5Å; V42-M60 HydrophobicContact CB-CE 4.3Å; V42-M60 HydrophobicContact CB-SD 3.77Å; V42-M60 HydrophobicContact CG1-CE 4Å; V42-M60 HydrophobicContact CG1-SD 3.71Å; V42-M60 HydrophobicContact CG2-SD 4.39Å; I55-M60 HydrophobicContact CD1-CE 4.35Å; I55-M60 HydrophobicContact CG2-CE 3.49Å; I55-M60 VanDerWaalsContact CG2-CE 3.49Å; S56-M60 WeakPolarHBondContact O-CB 3.43Å; S56-M60 PolarHBondContact O-N 3.16Å; S57-M60 WeakPolarHBondContact O-CB 3.35Å; S57-M60 PolarHBondContact O-N 3.37Å; K58-M60 VanDerWaalsContact C-N 3.33Å; K58-M60 PolarHBondContact O-N 3.03Å; M60-N64 WeakPolarHBondContact O-CB 3.26Å; M60-N64 PolarHBondContact O-N 2.93Å
61	G	95.8	Very high	96.7	Very high	36 Å²	36	76.1 Å²	76.1	37%	0.371	44%	0.44	S	S	.	.	H	α-helix	trans	-62.7	-46	174.6	0	0	0	0	0	112.7	S57 K58 A59 N64 S65	S57-G61 PolarHBondContact O-N 3.13Å; K58-G61 PolarHBondContact O-N 3.01Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 3.27Å; G61-N64 PolarHBondContact O-N 3.48Å; G61-S65 PolarHBondContact O-N 3.44Å; G61-S65 PolarHBondContact O-OG 3.23Å
62	I	97.4	Very high	96.7	Very high	107 Å²	107	78.3 Å²	78.3	55%	0.549	44%	0.443	S	S	.	.	H	α-helix	trans	-60.1	-47.2	176.6	-66.1	166.3	0	0	0	110.6	K58 A59 N64 S65 F66	K58-I62 HydrophobicContact CG-CD1 4.42Å; K58-I62 WeakPolarHBondContact O-CG1 3.29Å; K58-I62 PolarHBondContact O-N 3.43Å; A59-I62 PolarHBondContact O-N 3.22Å; I62-N64 VanDerWaalsContact C-N 3.31Å; I62-N64 PolarHBondContact O-N 2.89Å; I62-S65 PolarHBondContact O-N 3.42Å; I62-F66 WeakPolarHBondContact O-CB 3.43Å; I62-F66 PolarHBondContact O-N 3.07Å
63	M	97.5	Very high	96.7	Very high	77 Å²	77	76.7 Å²	76.7	38%	0.379	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-39.9	178.1	-69.8	-58	-65.3	0	0	112.1	V42 I55 A59 F66 V67	V42-M63 HydrophobicContact CG1-CB 4.02Å; V42-M63 HydrophobicContact CG1-CG 4.22Å; V42-M63 HydrophobicContact CG2-CB 4.08Å; I55-M63 HydrophobicContact CD1-CG 4.21Å; A59-M63 WeakPolarHBondContact O-CG 3.25Å; A59-M63 PolarHBondContact O-N 3.49Å; M63-F66 PolarHBondContact O-N 3.4Å; M63-V67 WeakPolarHBondContact O-CG2 3.49Å; M63-V67 PolarHBondContact O-N 2.95Å
64	N	95.5	Very high	96.8	Very high	29 Å²	29	75 Å²	75	16%	0.155	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-44.2	176	-174.9	75.4	0	0	0	111.7	S37 Y38 M60 G61 I62 V67 N68	S37-N64 PolarHBondContact OG-OD1 3.27Å; Y38-N64 PolarHBondContact N-OD1 2.97Å; M60-N64 WeakPolarHBondContact O-CB 3.26Å; M60-N64 PolarHBondContact O-N 2.93Å; G61-N64 PolarHBondContact O-N 3.48Å; I62-N64 VanDerWaalsContact C-N 3.31Å; I62-N64 PolarHBondContact O-N 2.89Å; N64-V67 PolarHBondContact O-N 3.46Å; N64-N68 PolarHBondContact ND2-ND2 2.96Å; N64-N68 PolarHBondContact O-N 2.96Å; N64-N68 VanDerWaalsContact O-N 3.09Å; N64-N68 PolarHBondContact O-ND2 3.34Å
65	S	96.3	Very high	96.8	Very high	74 Å²	74	74.1 Å²	74.1	52%	0.517	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-39.4	175.7	-62.3	0	0	0	0	112.5	G61 I62 V67 N68 D69	G61-S65 PolarHBondContact O-N 3.44Å; G61-S65 PolarHBondContact O-OG 3.23Å; I62-S65 PolarHBondContact O-N 3.42Å; S65-V67 PolarHBondContact O-N 3.3Å; S65-N68 PolarHBondContact O-N 3.5Å; S65-D69 PolarHBondContact O-N 2.95Å
66	F	96.9	Very high	96.9	Very high	117 Å²	117	75.2 Å²	75.2	51%	0.513	41%	0.413	S	S	.	.	H	α-helix	trans	-59.7	-45.4	174.9	173.3	-111.9	0	0	0	111.9	I62 M63 N68 D69 I70	I62-F66 WeakPolarHBondContact O-CB 3.43Å; I62-F66 PolarHBondContact O-N 3.07Å; M63-F66 PolarHBondContact O-N 3.4Å; F66-N68 VanDerWaalsContact C-N 3.32Å; F66-N68 PolarHBondContact O-N 3.3Å; F66-D69 PolarHBondContact O-N 3.04Å; F66-I70 HydrophobicContact CD2-CG1 4.27Å; F66-I70 HydrophobicContact CE2-CD1 4.13Å; F66-I70 HydrophobicContact CE2-CG1 3.79Å; F66-I70 HydrophobicContact CZ-CD1 4.48Å; F66-I70 HydrophobicContact CZ-CG1 3.94Å; F66-I70 WeakPolarHBondContact O-CG1 3.46Å; F66-I70 PolarHBondContact O-N 2.76Å; F66-I70 VanDerWaalsContact O-N 3.14Å
67	V	96.5	Very high	96.9	Very high	44 Å²	44	72.8 Å²	72.8	27%	0.267	39%	0.393	S	S	.	.	H	α-helix	trans	-63.1	-39.5	176.8	176	0	0	0	0	111.3	Y38 M63 N64 S65 F71	Y38-V67 HydrophobicContact CD1-CG1 3.67Å; Y38-V67 HydrophobicContact CD2-CB 4.01Å; Y38-V67 HydrophobicContact CD2-CG1 3.57Å; Y38-V67 HydrophobicContact CE1-CG1 3.8Å; Y38-V67 HydrophobicContact CE2-CB 4.46Å; Y38-V67 HydrophobicContact CE2-CG1 3.72Å; Y38-V67 HydrophobicContact CG-CB 4.12Å; Y38-V67 HydrophobicContact CG-CG1 3.55Å; M63-V67 WeakPolarHBondContact O-CG2 3.49Å; M63-V67 PolarHBondContact O-N 2.95Å; N64-V67 PolarHBondContact O-N 3.46Å; S65-V67 PolarHBondContact O-N 3.3Å; V67-F71 VanDerWaalsContact O-CB 3.22Å; V67-F71 WeakPolarHBondContact O-CB 3.48Å; V67-F71 PolarHBondContact O-N 2.96Å
68	N	95.9	Very high	97	Very high	54 Å²	54	67.5 Å²	67.5	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-46.4	175.9	-71.9	-46.5	0	0	0	112.4	Y38 N64 S65 F66 I70 F71 E72	Y38-N68 WeakPolarHBondContact CE2-OD1 3.3Å; N64-N68 PolarHBondContact ND2-ND2 2.96Å; N64-N68 PolarHBondContact O-N 2.96Å; N64-N68 VanDerWaalsContact O-N 3.09Å; N64-N68 PolarHBondContact O-ND2 3.34Å; S65-N68 PolarHBondContact O-N 3.5Å; F66-N68 VanDerWaalsContact C-N 3.32Å; F66-N68 PolarHBondContact O-N 3.3Å; N68-I70 PolarHBondContact O-N 3.15Å; N68-F71 WeakPolarHBondContact O-CB 3.33Å; N68-F71 PolarHBondContact O-N 3.46Å; N68-E72 WeakPolarHBondContact O-CG 3.49Å; N68-E72 PolarHBondContact O-N 2.92Å
69	D	96.7	Very high	97.1	Very high	66 Å²	66	62.9 Å²	62.9	35%	0.353	35%	0.345	S	S	.	.	H	α-helix	trans	-58.7	-47.9	179.4	179.2	21.5	0	0	0	111.2	S65 F66 F71 E72 R73	S65-D69 PolarHBondContact O-N 2.95Å; F66-D69 PolarHBondContact O-N 3.04Å; D69-F71 VanDerWaalsContact C-N 3.35Å; D69-F71 PolarHBondContact O-N 3.36Å; D69-E72 PolarHBondContact O-N 3.48Å; D69-R73 VanDerWaalsContact CG-NH2 3.31Å; D69-R73 VanDerWaalsContact O-CG 3.29Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 2.81Å; D69-R73 VanDerWaalsContact O-N 3.11Å; D69-R73 IonicContact OD1-CZ 3.33Å; D69-R73 IonicContact OD1-NE 2.77Å; D69-R73 PolarHBondContact OD1-NE 2.83Å; D69-R73 IonicContact OD1-NH2 3.7Å; D69-R73 PolarHBondContact OD1-NH2 2.81Å; D69-R73 IonicContact OD2-CZ 3.51Å; D69-R73 IonicContact OD2-NE 3.67Å; D69-R73 IonicContact OD2-NH2 2.59Å; D69-R73 PolarHBondContact OD2-NH2 3.11Å
70	I	96.2	Very high	97.1	Very high	48 Å²	48	67.3 Å²	67.3	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-65.4	-38.7	176.8	-60.6	-58.8	0	0	0	111.7	F66 N68 R73 I74	F66-I70 HydrophobicContact CD2-CG1 4.27Å; F66-I70 HydrophobicContact CE2-CD1 4.13Å; F66-I70 HydrophobicContact CE2-CG1 3.79Å; F66-I70 HydrophobicContact CZ-CD1 4.48Å; F66-I70 HydrophobicContact CZ-CG1 3.94Å; F66-I70 WeakPolarHBondContact O-CG1 3.46Å; F66-I70 PolarHBondContact O-N 2.76Å; F66-I70 VanDerWaalsContact O-N 3.14Å; N68-I70 PolarHBondContact O-N 3.15Å; I70-R73 PolarHBondContact O-N 2.77Å; I70-I74 HydrophobicContact CG2-CD1 3.75Å; I70-I74 HydrophobicContact CG2-CG1 4.41Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.22Å; I70-I74 PolarHBondContact O-N 3.14Å
71	F	96.5	Very high	97.2	Very high	114 Å²	114	67.3 Å²	67.3	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-47	177.2	177.8	-90	0	0	0	112	V67 N68 D69 R73 I74 A75	V67-F71 VanDerWaalsContact O-CB 3.22Å; V67-F71 WeakPolarHBondContact O-CB 3.48Å; V67-F71 PolarHBondContact O-N 2.96Å; N68-F71 WeakPolarHBondContact O-CB 3.33Å; N68-F71 PolarHBondContact O-N 3.46Å; D69-F71 VanDerWaalsContact C-N 3.35Å; D69-F71 PolarHBondContact O-N 3.36Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.41Å; F71-I74 PolarHBondContact O-N 3.24Å; F71-A75 HydrophobicContact CE1-CB 4.44Å; F71-A75 WeakPolarHBondContact O-CB 3.37Å; F71-A75 PolarHBondContact O-N 3Å
72	E	97.2	Very high	97.3	Very high	126 Å²	126	65.8 Å²	65.8	59%	0.589	34%	0.339	S	S	*	.	H	α-helix	trans	-61.9	-40.6	178.8	-75	179.1	-173.7	0	0	111.6	N68 D69 A75 S76	N68-E72 WeakPolarHBondContact O-CG 3.49Å; N68-E72 PolarHBondContact O-N 2.92Å; D69-E72 PolarHBondContact O-N 3.48Å; E72-A75 PolarHBondContact O-N 3.36Å; E72-S76 VanDerWaalsContact O-CB 3.29Å; E72-S76 WeakPolarHBondContact O-CB 3.43Å; E72-S76 PolarHBondContact O-N 2.87Å; E72-S76 PolarHBondContact O-OG 3.24Å
73	R	97.9	Very high	97.3	Very high	127 Å²	127	67.6 Å²	67.6	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-48	173.8	-67.8	175.5	-163	-156.1	6.9	111.6	D69 I70 F71 S76 E77 L102	D69-R73 VanDerWaalsContact CG-NH2 3.31Å; D69-R73 VanDerWaalsContact O-CG 3.29Å; D69-R73 WeakPolarHBondContact O-CG 3.39Å; D69-R73 PolarHBondContact O-N 2.81Å; D69-R73 VanDerWaalsContact O-N 3.11Å; D69-R73 IonicContact OD1-CZ 3.33Å; D69-R73 IonicContact OD1-NE 2.77Å; D69-R73 PolarHBondContact OD1-NE 2.83Å; D69-R73 IonicContact OD1-NH2 3.7Å; D69-R73 PolarHBondContact OD1-NH2 2.81Å; D69-R73 IonicContact OD2-CZ 3.51Å; D69-R73 IonicContact OD2-NE 3.67Å; D69-R73 IonicContact OD2-NH2 2.59Å; D69-R73 PolarHBondContact OD2-NH2 3.11Å; I70-R73 PolarHBondContact O-N 2.77Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.41Å; R73-S76 PolarHBondContact O-N 3.43Å; R73-E77 WeakPolarHBondContact O-CB 3.29Å; R73-E77 PolarHBondContact O-N 2.85Å; R73-L102 VanDerWaalsContact C-CD1 3.44Å; R73-L102 HydrophobicContact CB-CD1 3.87Å; R73-L102 HydrophobicContact CB-CD2 4.17Å
74	I	97.7	Very high	97.2	Very high	33 Å²	33	71.7 Å²	71.7	17%	0.169	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-45	178.8	-68	164.2	0	0	0	111	I70 F71 S76 E77 A78 V95 A98 V99 L102	I70-I74 HydrophobicContact CG2-CD1 3.75Å; I70-I74 HydrophobicContact CG2-CG1 4.41Å; I70-I74 VanDerWaalsContact O-CG1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.22Å; I70-I74 PolarHBondContact O-N 3.14Å; F71-I74 PolarHBondContact O-N 3.24Å; I74-S76 PolarHBondContact O-N 2.86Å; I74-E77 PolarHBondContact O-N 2.74Å; I74-A78 VanDerWaalsContact O-CB 3.27Å; I74-A78 WeakPolarHBondContact O-CB 3.4Å; I74-A78 PolarHBondContact O-N 3.39Å; I74-V95 HydrophobicContact CG2-CG1 4.27Å; I74-A98 HydrophobicContact CG2-CB 4.19Å; 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 3.44Å; I74-L102 HydrophobicContact CB-CD1 4.12Å; I74-L102 HydrophobicContact CG1-CD1 3.55Å
75	A	97.9	Very high	97.3	Very high	41 Å²	41	73.8 Å²	73.8	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-43	179.7	0	0	0	0	0	111.6	F71 E72 A78 S79	F71-A75 HydrophobicContact CE1-CB 4.44Å; F71-A75 WeakPolarHBondContact O-CB 3.37Å; F71-A75 PolarHBondContact O-N 3Å; E72-A75 PolarHBondContact O-N 3.36Å; A75-A78 PolarHBondContact O-N 3.36Å; A75-S79 VanDerWaalsContact O-CB 3.32Å; A75-S79 WeakPolarHBondContact O-CB 3.49Å; A75-S79 PolarHBondContact O-N 3.02Å
76	S	98.1	Very high	97.3	Very high	80 Å²	80	79.9 Å²	79.9	56%	0.559	39%	0.386	S	S	*	.	H	α-helix	trans	-62.8	-44.9	176.9	-59.2	0	0	0	0	111.6	E72 R73 I74 S79 R80	E72-S76 VanDerWaalsContact O-CB 3.29Å; E72-S76 WeakPolarHBondContact O-CB 3.43Å; E72-S76 PolarHBondContact O-N 2.87Å; E72-S76 PolarHBondContact O-OG 3.24Å; R73-S76 PolarHBondContact O-N 3.43Å; I74-S76 PolarHBondContact O-N 2.86Å; S76-S79 WeakPolarHBondContact O-CB 3.29Å; S76-S79 PolarHBondContact O-N 3.44Å; S76-R80 PolarHBondContact O-N 3.41Å
77	E	98.2	Very high	97.3	Very high	21 Å²	21	81.2 Å²	81.2	10%	0.098	39%	0.387	C	S	.	.	H	α-helix	trans	-65.1	-43.7	177.2	-169.3	64.4	-127.7	0	0	112.1	R73 I74 S79 R80 L81 A98 L101 L102	R73-E77 WeakPolarHBondContact O-CB 3.29Å; R73-E77 PolarHBondContact O-N 2.85Å; I74-E77 PolarHBondContact O-N 2.74Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 2.92Å; E77-R80 WeakPolarHBondContact O-CB 3.42Å; E77-R80 PolarHBondContact O-N 3.03Å; E77-R80 IonicContact OE1-CZ 2.72Å; E77-R80 VanDerWaalsContact OE1-CZ 3.3Å; E77-R80 IonicContact OE1-NE 3.05Å; E77-R80 PolarHBondContact OE1-NE 2.93Å; E77-R80 IonicContact OE1-NH2 2.78Å; E77-R80 PolarHBondContact OE1-NH2 3.5Å; E77-R80 IonicContact OE2-CZ 3.3Å; E77-R80 IonicContact OE2-NE 2.99Å; E77-R80 IonicContact OE2-NH2 2.81Å; E77-R80 PolarHBondContact OE2-NH2 3.38Å; E77-L81 HydrophobicContact CG-CD1 4.45Å; E77-L81 WeakPolarHBondContact O-CG 3.37Å; E77-L81 PolarHBondContact O-N 2.96Å; E77-A98 HydrophobicContact CB-CB 3.67Å; E77-A98 HydrophobicContact CG-CB 3.67Å; E77-L101 HydrophobicContact CG-CB 4.35Å; E77-L101 HydrophobicContact CG-CD1 3.94Å; E77-L102 HydrophobicContact CB-CD1 4.18Å
78	A	98.2	Very high	97.3	Very high	1 Å²	1	85.1 Å²	85.1	1%	0.008	42%	0.417	C	S	.	.	H	α-helix	trans	-64.7	-37.8	178.3	0	0	0	0	0	111.7	I74 A75 L81 A82 I90 E94 V95 A98	I74-A78 VanDerWaalsContact O-CB 3.27Å; I74-A78 WeakPolarHBondContact O-CB 3.4Å; I74-A78 PolarHBondContact O-N 3.39Å; A75-A78 PolarHBondContact O-N 3.36Å; A78-L81 PolarHBondContact O-N 3.43Å; A78-A82 PolarHBondContact O-N 2.92Å; A78-I90 HydrophobicContact CB-CG2 3.9Å; A78-E94 HydrophobicContact CB-CB 4.26Å; A78-V95 HydrophobicContact CB-CG2 4.3Å; A78-A98 HydrophobicContact CB-CB 4.02Å
79	S	98	Very high	97.4	Very high	67 Å²	67	86.9 Å²	86.9	47%	0.469	43%	0.43	S	S	.	.	H	α-helix	trans	-61.7	-46.8	172.6	-176.7	0	0	0	0	111.5	A75 S76 E77 L81 A82 H83	A75-S79 VanDerWaalsContact O-CB 3.32Å; A75-S79 WeakPolarHBondContact O-CB 3.49Å; A75-S79 PolarHBondContact O-N 3.02Å; S76-S79 WeakPolarHBondContact O-CB 3.29Å; S76-S79 PolarHBondContact O-N 3.44Å; E77-S79 VanDerWaalsContact C-N 3.31Å; E77-S79 PolarHBondContact O-N 2.92Å; S79-L81 PolarHBondContact O-N 3.47Å; S79-A82 PolarHBondContact O-N 2.99Å; S79-H83 PolarHBondContact O-N 3.24Å
80	R	98	Very high	97.4	Very high	123 Å²	123	87.5 Å²	87.5	46%	0.464	43%	0.432	S	S	.	.	H	α-helix	trans	-59.1	-43.9	175.4	178.1	166.6	66.7	-178.4	8.3	112.2	S76 E77 H83 Y84	S76-R80 PolarHBondContact O-N 3.41Å; E77-R80 WeakPolarHBondContact O-CB 3.42Å; E77-R80 PolarHBondContact O-N 3.03Å; E77-R80 IonicContact OE1-CZ 2.72Å; E77-R80 VanDerWaalsContact OE1-CZ 3.3Å; E77-R80 IonicContact OE1-NE 3.05Å; E77-R80 PolarHBondContact OE1-NE 2.93Å; E77-R80 IonicContact OE1-NH2 2.78Å; E77-R80 PolarHBondContact OE1-NH2 3.5Å; E77-R80 IonicContact OE2-CZ 3.3Å; E77-R80 IonicContact OE2-NE 2.99Å; E77-R80 IonicContact OE2-NH2 2.81Å; E77-R80 PolarHBondContact OE2-NH2 3.38Å; R80-H83 WeakPolarHBondContact O-CB 3.48Å; R80-H83 PolarHBondContact O-N 3Å; R80-Y84 HydrophobicContact CG-CD2 3.9Å; R80-Y84 HydrophobicContact CG-CE2 3.33Å; R80-Y84 WeakPolarHBondContact O-CD2 3.34Å; R80-Y84 PolarHBondContact O-N 3.38Å
81	L	98	Very high	97.3	Very high	28 Å²	28	87.2 Å²	87.2	15%	0.147	43%	0.433	C	S	.	.	H	α-helix	trans	-63.2	-41.5	175.9	-70.7	169.8	0	0	0	112.5	E77 A78 S79 H83 Y84 N85 E94 T97 A98 L101	E77-L81 HydrophobicContact CG-CD1 4.45Å; E77-L81 WeakPolarHBondContact O-CG 3.37Å; E77-L81 PolarHBondContact O-N 2.96Å; A78-L81 PolarHBondContact O-N 3.43Å; S79-L81 PolarHBondContact O-N 3.47Å; L81-H83 VanDerWaalsContact C-N 3.32Å; L81-H83 PolarHBondContact O-N 2.86Å; L81-Y84 PolarHBondContact O-N 2.96Å; L81-N85 PolarHBondContact O-N 2.91Å; L81-N85 PolarHBondContact O-ND2 3.11Å; L81-N85 VanDerWaalsContact O-ND2 3.15Å; L81-E94 HydrophobicContact CB-CB 4.16Å; L81-E94 HydrophobicContact CB-CG 3.79Å; L81-E94 WeakPolarHBondContact CD1-O 3.49Å; L81-T97 HydrophobicContact CD1-CG2 3.71Å; L81-T97 HydrophobicContact CD2-CG2 4.28Å; L81-A98 HydrophobicContact CD1-CB 4.19Å; L81-L101 HydrophobicContact CD1-CD1 4.26Å; L81-L101 HydrophobicContact CD2-CD1 4.26Å
82	A	97.8	Very high	97.2	Very high	4 Å²	4	86 Å²	86	3%	0.033	44%	0.438	C	S	.	.	H	α-helix	trans	-62.9	-41.8	175.9	0	0	0	0	0	111.2	A78 S79 N85 K86 R87 I90 E94	A78-A82 PolarHBondContact O-N 2.92Å; S79-A82 PolarHBondContact O-N 2.99Å; A82-N85 CarbonylContact O-C 3.41Å; A82-N85 PolarHBondContact O-N 2.81Å; A82-K86 PolarHBondContact O-N 2.98Å; A82-R87 PolarHBondContact O-N 3.21Å; A82-I90 HydrophobicContact CB-CG1 3.98Å; A82-E94 HydrophobicContact CB-CG 4.21Å
83	H	97.4	Very high	97	Very high	146 Å²	146	87.4 Å²	87.4	68%	0.676	44%	0.438	S	S	*	.	H	α-helix	trans	-61.9	-46.5	176	-174.4	73.4	0	0	0	112.1	S79 R80 L81 N85 K86	S79-H83 PolarHBondContact O-N 3.24Å; R80-H83 WeakPolarHBondContact O-CB 3.48Å; R80-H83 PolarHBondContact O-N 3Å; L81-H83 VanDerWaalsContact C-N 3.32Å; L81-H83 PolarHBondContact O-N 2.86Å; H83-N85 PolarHBondContact O-N 2.99Å; H83-K86 WeakPolarHBondContact O-CA 3.35Å; H83-K86 PolarHBondContact O-N 3.39Å
84	Y	97.1	Very high	96.9	Very high	162 Å²	162	81.5 Å²	81.5	64%	0.635	42%	0.416	S	S	*	.	H	α-helix	trans	-60.2	-34.8	175.3	-70.2	-39.1	0	0	0	112.9	R80 L81 K86	R80-Y84 HydrophobicContact CG-CD2 3.9Å; R80-Y84 HydrophobicContact CG-CE2 3.33Å; R80-Y84 WeakPolarHBondContact O-CD2 3.34Å; R80-Y84 PolarHBondContact O-N 3.38Å; L81-Y84 PolarHBondContact O-N 2.96Å; Y84-K86 PolarHBondContact O-N 3.12Å
85	N	96.8	Very high	96.9	Very high	74 Å²	74	83 Å²	83	40%	0.396	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	5.2	175.7	-66.9	-33.8	0	0	0	113.5	L81 A82 H83 R87 E94	L81-N85 PolarHBondContact O-N 2.91Å; L81-N85 PolarHBondContact O-ND2 3.11Å; L81-N85 VanDerWaalsContact O-ND2 3.15Å; A82-N85 CarbonylContact O-C 3.41Å; A82-N85 PolarHBondContact O-N 2.81Å; H83-N85 PolarHBondContact O-N 2.99Å; N85-R87 HydrophobicContact CB-CG 4.15Å; N85-R87 PolarHBondContact O-N 3.37Å; N85-E94 PolarHBondContact ND2-OE1 3Å
86	K	97	Very high	96.8	Very high	202 Å²	202	84.2 Å²	84.2	88%	0.878	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.1	-175.4	-56.4	178	-177.7	178.1	0	112.8	A82 H83 Y84	A82-K86 PolarHBondContact O-N 2.98Å; H83-K86 WeakPolarHBondContact O-CA 3.35Å; H83-K86 PolarHBondContact O-N 3.39Å; Y84-K86 PolarHBondContact O-N 3.12Å
87	R	96.7	Very high	96.7	Very high	144 Å²	144	82.3 Å²	82.3	54%	0.543	41%	0.41	S	S	.	.			trans	-106	141.1	178.4	-66.8	-173.9	174.7	-158	-4.6	110.3	A82 N85 T89	A82-R87 PolarHBondContact O-N 3.21Å; N85-R87 HydrophobicContact CB-CG 4.15Å; N85-R87 PolarHBondContact O-N 3.37Å; R87-T89 VanDerWaalsContact C-N 3.34Å
88	S	96.1	Very high	96.7	Very high	126 Å²	126	81.3 Å²	81.3	88%	0.881	41%	0.405	S	S	*	.	S	Bend	trans	-87.7	-4.4	172.6	56.5	0	0	0	0	113.3
89	T	97.4	Very high	96.6	Very high	91 Å²	91	82.2 Å²	82.2	56%	0.558	41%	0.411	S	S	*	.	S	Bend	trans	-127.2	126.9	-175.4	-55.5	0	0	0	0	110.1	R87	R87-T89 VanDerWaalsContact C-N 3.34Å
90	I	97.2	Very high	96.6	Very high	79 Å²	79	85.5 Å²	85.5	41%	0.405	41%	0.413	S	S	.	.			trans	-76.3	122.9	171.2	-61.4	174.3	0	0	0	108.2	A78 A82 E94 V95	A78-I90 HydrophobicContact CB-CG2 3.9Å; A82-I90 HydrophobicContact CB-CG1 3.98Å; I90-E94 HydrophobicContact CG2-CB 4.08Å; I90-V95 HydrophobicContact CG2-CG2 3.83Å
91	T	95.3	Very high	96.5	Very high	42 Å²	42	84.7 Å²	84.7	26%	0.258	42%	0.417	S	S	.	.			trans	-101	172	176.1	81.7	0	0	0	0	111.1	R93 E94 V95	T91-R93 PolarHBondContact O-N 3.45Å; T91-R93 VanDerWaalsContact O-N 3.14Å; T91-R93 WeakPolarHBondContact OG1-CB 3.48Å; T91-R93 PolarHBondContact OG1-N 3.04Å; T91-E94 VanDerWaalsContact CA-OE2 3.3Å; T91-E94 WeakPolarHBondContact CA-OE2 3.46Å; T91-E94 WeakPolarHBondContact CB-OE2 3.5Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.32Å; T91-E94 PolarHBondContact N-OE2 2.94Å; T91-E94 PolarHBondContact O-N 2.91Å; T91-E94 PolarHBondContact OG1-OE2 3.07Å; T91-V95 PolarHBondContact O-N 3.39Å
92	S	92.7	Very high	96.5	Very high	88 Å²	88	86.3 Å²	86.3	62%	0.615	43%	0.426	S	S	*	.	H	α-helix	trans	-56.4	-27.5	172.9	54.9	0	0	0	0	112.8	Q96	S92-Q96 WeakPolarHBondContact O-CB 3.39Å; S92-Q96 VanDerWaalsContact O-CG 3.26Å; S92-Q96 WeakPolarHBondContact O-CG 3.29Å; S92-Q96 PolarHBondContact O-N 2.9Å
93	R	94.1	Very high	96.4	Very high	157 Å²	157	88.3 Å²	88.3	59%	0.592	44%	0.436	S	S	*	.	H	α-helix	trans	-68.6	-43.5	178	-173.6	176.5	-177.2	-97	0.9	112.3	T91 T97	T91-R93 PolarHBondContact O-N 3.45Å; T91-R93 VanDerWaalsContact O-N 3.14Å; T91-R93 WeakPolarHBondContact OG1-CB 3.48Å; T91-R93 PolarHBondContact OG1-N 3.04Å; R93-T97 WeakPolarHBondContact O-CB 3.46Å; R93-T97 PolarHBondContact O-N 3.49Å; R93-T97 PolarHBondContact O-OG1 3.16Å
94	E	96	Very high	96.3	Very high	3 Å²	3	85.8 Å²	85.8	1%	0.014	43%	0.432	C	S	.	.	H	α-helix	trans	-64.6	-42.5	175.8	-74.7	77.1	-154.1	0	0	110.6	A78 L81 A82 N85 I90 T91 T97 A98	A78-E94 HydrophobicContact CB-CB 4.26Å; L81-E94 HydrophobicContact CB-CB 4.16Å; L81-E94 HydrophobicContact CB-CG 3.79Å; L81-E94 WeakPolarHBondContact CD1-O 3.49Å; A82-E94 HydrophobicContact CB-CG 4.21Å; N85-E94 PolarHBondContact ND2-OE1 3Å; I90-E94 HydrophobicContact CG2-CB 4.08Å; T91-E94 VanDerWaalsContact CA-OE2 3.3Å; T91-E94 WeakPolarHBondContact CA-OE2 3.46Å; T91-E94 WeakPolarHBondContact CB-OE2 3.5Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.32Å; T91-E94 PolarHBondContact N-OE2 2.94Å; T91-E94 PolarHBondContact O-N 2.91Å; T91-E94 PolarHBondContact OG1-OE2 3.07Å; E94-T97 PolarHBondContact O-N 2.84Å; E94-A98 VanDerWaalsContact O-CB 3.25Å; E94-A98 WeakPolarHBondContact O-CB 3.48Å; E94-A98 PolarHBondContact O-N 3.39Å
95	V	96.5	Very high	96.2	Very high	63 Å²	63	80.7 Å²	80.7	38%	0.382	43%	0.429	S	S	.	.	H	α-helix	trans	-62.3	-46.8	177.3	179.7	0	0	0	0	111.5	I74 A78 I90 T91 T97 A98 V99	I74-V95 HydrophobicContact CG2-CG1 4.27Å; A78-V95 HydrophobicContact CB-CG2 4.3Å; I90-V95 HydrophobicContact CG2-CG2 3.83Å; T91-V95 PolarHBondContact O-N 3.39Å; V95-T97 VanDerWaalsContact C-N 3.35Å; V95-T97 PolarHBondContact O-N 3.28Å; V95-A98 WeakPolarHBondContact O-CB 3.34Å; V95-A98 PolarHBondContact O-N 3.07Å; V95-V99 WeakPolarHBondContact O-CG2 3.35Å; V95-V99 PolarHBondContact O-N 3.13Å
96	Q	95.8	Very high	96.2	Very high	68 Å²	68	82.2 Å²	82.2	32%	0.318	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-40.4	177.8	-73.8	176	18.3	0	0	112.3	S92 V99 R100 V112	S92-Q96 WeakPolarHBondContact O-CB 3.39Å; S92-Q96 VanDerWaalsContact O-CG 3.26Å; S92-Q96 WeakPolarHBondContact O-CG 3.29Å; S92-Q96 PolarHBondContact O-N 2.9Å; Q96-V99 PolarHBondContact O-N 3.29Å; Q96-R100 WeakPolarHBondContact O-CG 3.17Å; Q96-R100 PolarHBondContact O-N 3.39Å; Q96-V112 HydrophobicContact CG-CG1 4.45Å
97	T	96.7	Very high	96.1	Very high	39 Å²	39	77.8 Å²	77.8	24%	0.239	42%	0.419	C	S	.	.	H	α-helix	trans	-66.9	-42.6	177.3	-54.9	0	0	0	0	111	L81 R93 E94 V95 V99 R100 L101	L81-T97 HydrophobicContact CD1-CG2 3.71Å; L81-T97 HydrophobicContact CD2-CG2 4.28Å; R93-T97 WeakPolarHBondContact O-CB 3.46Å; R93-T97 PolarHBondContact O-N 3.49Å; R93-T97 PolarHBondContact O-OG1 3.16Å; E94-T97 PolarHBondContact O-N 2.84Å; V95-T97 VanDerWaalsContact C-N 3.35Å; V95-T97 PolarHBondContact O-N 3.28Å; T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 2.97Å; T97-R100 WeakPolarHBondContact O-CB 3.49Å; T97-R100 PolarHBondContact O-N 3.38Å; T97-R100 VanDerWaalsContact O-N 3.07Å; T97-L101 HydrophobicContact CG2-CD1 4.36Å; T97-L101 WeakPolarHBondContact O-CG 3.22Å; T97-L101 PolarHBondContact O-N 3.05Å
98	A	97.6	Very high	96.1	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-56.3	-44.7	174.6	0	0	0	0	0	112.3	I74 E77 A78 L81 E94 V95 R100 L101 L102	I74-A98 HydrophobicContact CG2-CB 4.19Å; E77-A98 HydrophobicContact CB-CB 3.67Å; E77-A98 HydrophobicContact CG-CB 3.67Å; A78-A98 HydrophobicContact CB-CB 4.02Å; L81-A98 HydrophobicContact CD1-CB 4.19Å; E94-A98 VanDerWaalsContact O-CB 3.25Å; E94-A98 WeakPolarHBondContact O-CB 3.48Å; E94-A98 PolarHBondContact O-N 3.39Å; V95-A98 WeakPolarHBondContact O-CB 3.34Å; V95-A98 PolarHBondContact O-N 3.07Å; A98-R100 VanDerWaalsContact C-N 3.3Å; A98-R100 PolarHBondContact O-N 3.2Å; A98-L101 PolarHBondContact O-N 3.03Å; A98-L101 VanDerWaalsContact O-N 3.16Å; A98-L102 WeakPolarHBondContact O-CG 3.45Å; A98-L102 PolarHBondContact O-N 2.89Å
99	V	97.5	Very high	96.1	Very high	20 Å²	20	71.7 Å²	71.7	12%	0.121	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-41.8	175.2	171.2	0	0	0	0	111.6	I74 V95 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; V95-V99 WeakPolarHBondContact O-CG2 3.35Å; V95-V99 PolarHBondContact O-N 3.13Å; Q96-V99 PolarHBondContact O-N 3.29Å; T97-V99 VanDerWaalsContact C-N 3.32Å; T97-V99 PolarHBondContact O-N 2.97Å; V99-L101 VanDerWaalsContact C-N 3.32Å; V99-L101 PolarHBondContact O-N 3.17Å; V99-L102 PolarHBondContact O-N 3.01Å; V99-L103 HydrophobicContact CG1-CD1 3.89Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CB 3.46Å; V99-L103 PolarHBondContact O-N 3.43Å; V99-A111 HydrophobicContact CG1-CB 3.64Å; V99-V112 HydrophobicContact CB-CG2 4.38Å; V99-V112 HydrophobicContact CG1-CG2 3.99Å
100	R	96.4	Very high	96	Very high	136 Å²	136	72.7 Å²	72.7	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-68.3	-29.3	177.5	-68	179.3	-175.8	136.2	-1.5	113.5	Q96 T97 A98 A108 V112	Q96-R100 WeakPolarHBondContact O-CG 3.17Å; Q96-R100 PolarHBondContact O-N 3.39Å; T97-R100 WeakPolarHBondContact O-CB 3.49Å; T97-R100 PolarHBondContact O-N 3.38Å; T97-R100 VanDerWaalsContact O-N 3.07Å; A98-R100 VanDerWaalsContact C-N 3.3Å; A98-R100 PolarHBondContact O-N 3.2Å; R100-A108 HydrophobicContact CG-CB 4.43Å; R100-V112 HydrophobicContact CG-CG2 3.84Å
101	L	97.1	Very high	95.9	Very high	106 Å²	106	70.7 Å²	70.7	56%	0.555	38%	0.376	S	S	*	.	H	α-helix	trans	-76.3	-34.7	177	-69.5	173.6	0	0	0	112	E77 L81 T97 A98 V99	E77-L101 HydrophobicContact CG-CB 4.35Å; E77-L101 HydrophobicContact CG-CD1 3.94Å; L81-L101 HydrophobicContact CD1-CD1 4.26Å; L81-L101 HydrophobicContact CD2-CD1 4.26Å; T97-L101 HydrophobicContact CG2-CD1 4.36Å; T97-L101 WeakPolarHBondContact O-CG 3.22Å; T97-L101 PolarHBondContact O-N 3.05Å; A98-L101 PolarHBondContact O-N 3.03Å; A98-L101 VanDerWaalsContact O-N 3.16Å; V99-L101 VanDerWaalsContact C-N 3.32Å; V99-L101 PolarHBondContact O-N 3.17Å
102	L	97	Very high	95.9	Very high	63 Å²	63	69.5 Å²	69.5	33%	0.33	37%	0.369	S	S	.	.	H	α-helix	trans	-87.4	-30	-175.6	-69.6	167.9	0	0	0	114	R73 I74 E77 A98 V99	R73-L102 VanDerWaalsContact C-CD1 3.44Å; R73-L102 HydrophobicContact CB-CD1 3.87Å; R73-L102 HydrophobicContact CB-CD2 4.17Å; I74-L102 VanDerWaalsContact CA-CD1 3.44Å; I74-L102 HydrophobicContact CB-CD1 4.12Å; I74-L102 HydrophobicContact CG1-CD1 3.55Å; E77-L102 HydrophobicContact CB-CD1 4.18Å; A98-L102 WeakPolarHBondContact O-CG 3.45Å; A98-L102 PolarHBondContact O-N 2.89Å; V99-L102 PolarHBondContact O-N 3.01Å
103	L	95.7	Very high	96	Very high	46 Å²	46	67.8 Å²	67.8	24%	0.241	36%	0.357	C	S	.	.	S	Bend	trans	-104.6	131.3	-177.1	-59.8	-177.4	0	0	0	111.3	V99 L107 A108 A111	V99-L103 HydrophobicContact CG1-CD1 3.89Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CB 3.46Å; V99-L103 PolarHBondContact O-N 3.43Å; L103-L107 HydrophobicContact CB-CB 4.09Å; L103-A108 HydrophobicContact CB-CB 4.13Å; L103-A108 VanDerWaalsContact O-CB 3.3Å; L103-A108 WeakPolarHBondContact O-CB 3.38Å; L103-A111 HydrophobicContact CD1-CB 3.61Å
104	P	96	Very high	96	Very high	93 Å²	93	65 Å²	65	60%	0.604	35%	0.351	S	S	*	.			trans	-80.7	147.6	-179.8	31.3	-34.9	0	0	0	112.8	E106 L107	P104-E106 PolarHBondContact O-N 2.86Å; P104-L107 HydrophobicContact CG-CD1 4.24Å; P104-L107 WeakPolarHBondContact O-CB 3.5Å; P104-L107 PolarHBondContact O-N 3.4Å
105	G	95.4	Very high	95.9	Very high	55 Å²	55	66.6 Å²	66.6	57%	0.567	37%	0.368	S	S	*	.	H	α-helix	trans	51	-125.1	162.8	0	0	0	0	0	115.1	L107 A108 K109	G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3Å; G105-A108 PolarHBondContact O-N 3.21Å; G105-K109 PolarHBondContact O-N 3.09Å
106	E	95.7	Very high	95.7	Very high	106 Å²	106	66.9 Å²	66.9	50%	0.495	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-32.6	-179.2	-68	-55.9	123.7	0	0	112.5	P104 A108 K109 H110	P104-E106 PolarHBondContact O-N 2.86Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 3.37Å; E106-K109 PolarHBondContact O-N 3.27Å; E106-K109 VanDerWaalsContact O-N 3.11Å; E106-K109 WeakPolarHBondContact OE1-CE 3.29Å; E106-K109 IonicContact OE1-NZ 3.4Å; E106-K109 PolarHBondContact OE1-NZ 3.39Å; E106-H110 PolarHBondContact O-CD2 3.23Å; E106-H110 PolarHBondContact O-N 2.96Å
107	L	95.7	Very high	95.5	Very high	108 Å²	108	69.1 Å²	69.1	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-60.6	-41.4	179.5	-66.1	174.8	0	0	0	111.9	L103 P104 G105 A111	L103-L107 HydrophobicContact CB-CB 4.09Å; P104-L107 HydrophobicContact CG-CD1 4.24Å; P104-L107 WeakPolarHBondContact O-CB 3.5Å; P104-L107 PolarHBondContact O-N 3.4Å; G105-L107 VanDerWaalsContact C-N 3.26Å; G105-L107 PolarHBondContact O-N 3Å; L107-A111 WeakPolarHBondContact O-CB 3.35Å; L107-A111 PolarHBondContact O-N 3.44Å
108	A	96	Very high	95.3	Very high	11 Å²	11	70 Å²	70	9%	0.091	39%	0.389	C	S	.	.	H	α-helix	trans	-64.9	-41.9	175	0	0	0	0	0	112.3	R100 L103 G105 E106 A111 V112	R100-A108 HydrophobicContact CG-CB 4.43Å; L103-A108 HydrophobicContact CB-CB 4.13Å; L103-A108 VanDerWaalsContact O-CB 3.3Å; L103-A108 WeakPolarHBondContact O-CB 3.38Å; G105-A108 PolarHBondContact O-N 3.21Å; E106-A108 VanDerWaalsContact C-N 3.32Å; E106-A108 PolarHBondContact O-N 3.37Å; A108-A111 PolarHBondContact O-N 3.49Å; A108-V112 WeakPolarHBondContact O-CB 3.47Å; A108-V112 WeakPolarHBondContact O-CG2 3.45Å; A108-V112 PolarHBondContact O-N 3.11Å
109	K	95.4	Very high	95	Very high	131 Å²	131	74.3 Å²	74.3	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-61.6	-48.3	178.4	-64.8	-179.6	-172.9	167.9	0	111	G105 E106 S113	G105-K109 PolarHBondContact O-N 3.09Å; E106-K109 PolarHBondContact O-N 3.27Å; E106-K109 VanDerWaalsContact O-N 3.11Å; E106-K109 WeakPolarHBondContact OE1-CE 3.29Å; E106-K109 IonicContact OE1-NZ 3.4Å; E106-K109 PolarHBondContact OE1-NZ 3.39Å; K109-S113 WeakPolarHBondContact O-CB 3.44Å; K109-S113 PolarHBondContact O-N 3.45Å
110	H	96	Very high	94.7	Very high	112 Å²	112	77.6 Å²	77.6	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-49.5	177.1	-75.3	-74.2	0	0	0	111.6	E106 V112 S113 E114	E106-H110 PolarHBondContact O-CD2 3.23Å; E106-H110 PolarHBondContact O-N 2.96Å; H110-V112 PolarHBondContact O-N 3.36Å; H110-S113 PolarHBondContact O-N 3.44Å; H110-E114 WeakPolarHBondContact O-CB 3.3Å; H110-E114 VanDerWaalsContact O-CG 3.32Å; H110-E114 WeakPolarHBondContact O-CG 3.36Å; H110-E114 PolarHBondContact O-N 3.17Å
111	A	95.5	Very high	94.5	Very high	38 Å²	38	78.5 Å²	78.5	31%	0.314	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-43.6	-177.3	0	0	0	0	0	112.8	V99 L103 L107 A108 G115	V99-A111 HydrophobicContact CG1-CB 3.64Å; L103-A111 HydrophobicContact CD1-CB 3.61Å; L107-A111 WeakPolarHBondContact O-CB 3.35Å; L107-A111 PolarHBondContact O-N 3.44Å; A108-A111 PolarHBondContact O-N 3.49Å; A111-G115 PolarHBondContact O-N 3.04Å
112	V	94.8	Very high	94.3	Very high	16 Å²	16	81.9 Å²	81.9	10%	0.097	45%	0.45	C	S	.	.	H	α-helix	trans	-70.9	-40.1	178.4	175.9	0	0	0	0	111.7	Q96 V99 R100 A108 H110 T116	Q96-V112 HydrophobicContact CG-CG1 4.45Å; V99-V112 HydrophobicContact CB-CG2 4.38Å; V99-V112 HydrophobicContact CG1-CG2 3.99Å; R100-V112 HydrophobicContact CG-CG2 3.84Å; A108-V112 WeakPolarHBondContact O-CB 3.47Å; A108-V112 WeakPolarHBondContact O-CG2 3.45Å; A108-V112 PolarHBondContact O-N 3.11Å; H110-V112 PolarHBondContact O-N 3.36Å; V112-T116 WeakPolarHBondContact O-CB 3.44Å; V112-T116 PolarHBondContact O-N 2.59Å; V112-T116 PolarHBondContact O-OG1 2.76Å
113	S	95.1	Very high	94.1	Very high	52 Å²	52	83.4 Å²	83.4	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-50.8	177.5	-175.3	0	0	0	0	111.4	K109 H110 G115 T116 K117	K109-S113 WeakPolarHBondContact O-CB 3.44Å; K109-S113 PolarHBondContact O-N 3.45Å; H110-S113 PolarHBondContact O-N 3.44Å; S113-G115 PolarHBondContact O-N 3.14Å; S113-T116 PolarHBondContact O-N 2.82Å; S113-K117 WeakPolarHBondContact O-CG 3.49Å; S113-K117 PolarHBondContact O-N 3.26Å
114	E	94.2	Very high	94.1	Very high	100 Å²	100	85.7 Å²	85.7	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-64.2	-40	177.6	-67.8	-53.3	123.4	0	0	111.8	H110 T116 K117 A118	H110-E114 WeakPolarHBondContact O-CB 3.3Å; H110-E114 VanDerWaalsContact O-CG 3.32Å; H110-E114 WeakPolarHBondContact O-CG 3.36Å; H110-E114 PolarHBondContact O-N 3.17Å; E114-T116 VanDerWaalsContact C-N 3.33Å; E114-T116 PolarHBondContact O-N 3.27Å; E114-K117 PolarHBondContact O-N 3.44Å; E114-K117 IonicContact OE1-NZ 2.77Å; E114-K117 PolarHBondContact OE1-NZ 3.37Å; E114-A118 VanDerWaalsContact O-CB 3.29Å; E114-A118 WeakPolarHBondContact O-CB 3.35Å; E114-A118 PolarHBondContact O-N 3.03Å
115	G	93.4	Very high	93.8	Very high	36 Å²	36	85.7 Å²	85.7	37%	0.371	48%	0.484	S	S	.	.	H	α-helix	trans	-58.7	-43.3	174.2	0	0	0	0	0	112.5	A111 S113 A118 V119	A111-G115 PolarHBondContact O-N 3.04Å; S113-G115 PolarHBondContact O-N 3.14Å; G115-A118 PolarHBondContact O-N 3.44Å; G115-V119 WeakPolarHBondContact O-CG2 3.43Å; G115-V119 PolarHBondContact O-N 3.26Å; G115-V119 VanDerWaalsContact O-N 3.16Å
116	T	92.6	Very high	92.5	Very high	69 Å²	69	94.2 Å²	94.2	42%	0.423	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-44.3	179.1	-54.3	0	0	0	0	111.6	V112 S113 E114 A118 V119 T120	V112-T116 WeakPolarHBondContact O-CB 3.44Å; V112-T116 PolarHBondContact O-N 2.59Å; V112-T116 PolarHBondContact O-OG1 2.76Å; S113-T116 PolarHBondContact O-N 2.82Å; E114-T116 VanDerWaalsContact C-N 3.33Å; E114-T116 PolarHBondContact O-N 3.27Å; T116-A118 VanDerWaalsContact C-N 3.3Å; T116-A118 PolarHBondContact O-N 3.48Å; T116-V119 PolarHBondContact O-N 3.33Å; T116-T120 PolarHBondContact O-N 3.07Å; T116-T120 PolarHBondContact O-OG1 2.75Å
117	K	92.7	Very high	92.3	Very high	115 Å²	115	93.7 Å²	93.7	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-41.1	174.5	-67.9	173.9	-166.9	168.8	0	111.8	S113 E114 V119 T120 K121	S113-K117 WeakPolarHBondContact O-CG 3.49Å; S113-K117 PolarHBondContact O-N 3.26Å; E114-K117 PolarHBondContact O-N 3.44Å; E114-K117 IonicContact OE1-NZ 2.77Å; E114-K117 PolarHBondContact OE1-NZ 3.37Å; K117-V119 VanDerWaalsContact C-N 3.32Å; K117-V119 PolarHBondContact O-N 3.32Å; K117-T120 PolarHBondContact O-N 3.33Å; K117-K121 PolarHBondContact O-N 3.11Å
118	A	91.3	Very high	92.2	Very high	56 Å²	56	92.9 Å²	92.9	46%	0.463	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-37.8	179.6	0	0	0	0	0	112.2	E114 G115 T116 K121 Y122	E114-A118 VanDerWaalsContact O-CB 3.29Å; E114-A118 WeakPolarHBondContact O-CB 3.35Å; E114-A118 PolarHBondContact O-N 3.03Å; G115-A118 PolarHBondContact O-N 3.44Å; T116-A118 VanDerWaalsContact C-N 3.3Å; T116-A118 PolarHBondContact O-N 3.48Å; A118-K121 PolarHBondContact O-N 3.47Å; A118-Y122 VanDerWaalsContact O-CB 3.3Å; A118-Y122 WeakPolarHBondContact O-CB 3.35Å; A118-Y122 PolarHBondContact O-N 2.72Å
119	V	91	Very high	91.9	Very high	91 Å²	91	97.4 Å²	97.4	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-62.7	-44.3	175.7	172.5	0	0	0	0	111.4	G115 T116 K117 Y122 T123	G115-V119 WeakPolarHBondContact O-CG2 3.43Å; G115-V119 PolarHBondContact O-N 3.26Å; G115-V119 VanDerWaalsContact O-N 3.16Å; T116-V119 PolarHBondContact O-N 3.33Å; K117-V119 VanDerWaalsContact C-N 3.32Å; K117-V119 PolarHBondContact O-N 3.32Å; V119-Y122 PolarHBondContact O-N 3.38Å; V119-T123 PolarHBondContact O-N 3.24Å; V119-T123 PolarHBondContact O-OG1 2.92Å
120	T	91.5	Very high	91.7	Very high	90 Å²	90	95.5 Å²	95.5	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-60.5	-49.4	175.4	-55.9	0	0	0	0	110.8	T116 K117 Y122 T123 S124	T116-T120 PolarHBondContact O-N 3.07Å; T116-T120 PolarHBondContact O-OG1 2.75Å; K117-T120 PolarHBondContact O-N 3.33Å; T120-Y122 VanDerWaalsContact C-N 3.33Å; T120-Y122 PolarHBondContact O-N 3.15Å; T120-T123 PolarHBondContact O-N 3.02Å; T120-S124 PolarHBondContact O-N 2.78Å; T120-S124 PolarHBondContact O-OG 3.08Å
121	K	93.4	Very high	91.5	Very high	155 Å²	155	94.4 Å²	94.4	67%	0.674	52%	0.524	S	S	*	.	H	α-helix	trans	-59.6	-43.4	178.3	-177	175.5	-179.1	175	0	112	K117 A118 T123 S124 S125	K117-K121 PolarHBondContact O-N 3.11Å; A118-K121 PolarHBondContact O-N 3.47Å; K121-T123 VanDerWaalsContact C-N 3.34Å; K121-T123 PolarHBondContact O-N 3.47Å; K121-S124 PolarHBondContact O-N 3.05Å; K121-S125 WeakPolarHBondContact O-CB 3.48Å; K121-S125 PolarHBondContact O-N 2.77Å; K121-S125 PolarHBondContact O-OG 3.35Å
122	Y	91.5	Very high	91.2	Very high	176 Å²	176	98.2 Å²	98.2	69%	0.69	54%	0.538	S	S	*	.	H	α-helix	trans	-61.7	-43.7	179.6	179.5	-100.2	0	0	0	111.6	A118 V119 T120 S124 S125	A118-Y122 VanDerWaalsContact O-CB 3.3Å; A118-Y122 WeakPolarHBondContact O-CB 3.35Å; A118-Y122 PolarHBondContact O-N 2.72Å; V119-Y122 PolarHBondContact O-N 3.38Å; T120-Y122 VanDerWaalsContact C-N 3.33Å; T120-Y122 PolarHBondContact O-N 3.15Å; Y122-S124 VanDerWaalsContact C-N 3.35Å; Y122-S124 PolarHBondContact O-N 2.87Å; Y122-S125 PolarHBondContact O-N 3.29Å
123	T	94	Very high	90.9	Very high	96 Å²	96	104.1 Å²	104.1	59%	0.589	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-37.3	179.7	-51.6	0	0	0	0	111.7	V119 T120 K121	V119-T123 PolarHBondContact O-N 3.24Å; V119-T123 PolarHBondContact O-OG1 2.92Å; T120-T123 PolarHBondContact O-N 3.02Å; K121-T123 VanDerWaalsContact C-N 3.34Å; K121-T123 PolarHBondContact O-N 3.47Å
124	S	94.1	Very high	90.6	Very high	94 Å²	94	108.1 Å²	108.1	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-79.8	-16.1	179	-54	0	0	0	0	114.9	T120 K121 Y122	T120-S124 PolarHBondContact O-N 2.78Å; T120-S124 PolarHBondContact O-OG 3.08Å; K121-S124 PolarHBondContact O-N 3.05Å; Y122-S124 VanDerWaalsContact C-N 3.35Å; Y122-S124 PolarHBondContact O-N 2.87Å
125	S	89.7	Confident	90.3	Very high	92 Å²	92	108.8 Å²	108.8	64%	0.643	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	1	-174.8	-56.8	0	0	0	0	114	K121 Y122	K121-S125 WeakPolarHBondContact O-CB 3.48Å; K121-S125 PolarHBondContact O-N 2.77Å; K121-S125 PolarHBondContact O-OG 3.35Å; Y122-S125 PolarHBondContact O-N 3.29Å
126	K	68.7	Low	90	Very high	235 Å²	235	115.4 Å²	115.4	100%	1.022	62%	0.615	S	S	*	*			trans	-104.3	0	-178.8	-172.7	178.5	-178.2	-179.5	0	111

Retrieved 126 of 126 residues in 55.3 ms (Link to these results)

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