C1M1H8_SCHMA Loading...

Histone H2B

AlphaFold DB , UniProt , Accession C1M1H8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 122 aa.

						>C1M1H8_SCHMA|C1M1H8
MPPKVVSGKAAKKASKVKLPKVDKKKKRRRKESYAIYIYKVLRQVHPDTGISSKAMSIMNSFVNDIFERIAAEASRLSHYNKKSTISSREVQTAVRLLLPGELAKHAVSEGTKAVTKYSGSK
					

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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	42.9	Very low	50	Low	241 Å²	241	141.4 Å²	141.4	100%	1.187	86%	0.856	S	S	*	*				0	146.9	0	-88.7	179.5	161.9	0	0	109.2
2	P	53.9	Low	50	Low	126 Å²	126	146.6 Å²	146.6	82%	0.818	86%	0.858	S	S	*	*				-93.5	171.7	-128.6	-3.8	23.6	0	0	0	116.3
3	P	55.2	Low	49.7	Very low	116 Å²	116	150.9 Å²	150.9	75%	0.753	86%	0.86	S	S	*	*			trans	-103.8	170.1	-162.3	40.7	-33.3	0	0	0	113.6
4	K	56.3	Low	49.4	Very low	201 Å²	201	147.4 Å²	147.4	87%	0.874	86%	0.859	S	S	*	*			trans	-172	134.9	130.4	-120.5	173	179.9	175.2	0	114.3
5	V	51.3	Low	49.5	Very low	133 Å²	133	145.1 Å²	145.1	81%	0.806	85%	0.854	S	S	*	*			trans	-53.4	142.9	167.6	-77.4	0	0	0	0	114.3
6	V	52.6	Low	49.6	Very low	149 Å²	149	148.7 Å²	148.7	90%	0.903	86%	0.856	S	S	*	*			trans	-133.4	102.1	152.3	-83.5	0	0	0	0	109.1
7	S	48	Very low	49.9	Very low	125 Å²	125	147.2 Å²	147.2	87%	0.874	85%	0.85	S	S	*	*			trans	-80	135	162.9	69.1	0	0	0	0	109.1
8	G	50	Low	50	Low	72 Å²	72	150.2 Å²	150.2	74%	0.742	85%	0.851	S	S	*	*			trans	-167.5	104.2	174.5	0	0	0	0	0	115
9	K	42.7	Very low	50.5	Low	200 Å²	200	149.9 Å²	149.9	87%	0.87	85%	0.846	S	S	*	*			trans	70.4	95.4	150.7	-82.2	170.7	172.6	167.8	0	118.8
10	A	42	Very low	50.7	Low	110 Å²	110	148 Å²	148	91%	0.909	84%	0.84	S	S	*	*			trans	-61	125.6	135.9	0	0	0	0	0	109.7
11	A	55	Low	50.9	Low	82 Å²	82	150.4 Å²	150.4	68%	0.678	84%	0.841	S	S	*	*			trans	-148.9	115.9	168.6	0	0	0	0	0	112.4
12	K	50.7	Low	51.6	Low	204 Å²	204	144.3 Å²	144.3	89%	0.887	82%	0.817	S	S	*	*			trans	72.5	92.2	143.5	-66.6	-176.8	176.1	179.7	0	119.3
13	K	45.5	Very low	51.7	Low	203 Å²	203	145.6 Å²	145.6	88%	0.883	82%	0.817	S	S	*	*				23.6	118.4	120.1	-88.1	177.1	169.5	172.6	0	117.7	S15	K13-S15 PolarHBondContact O-N 3.43Å
14	A	45	Very low	51.9	Low	102 Å²	102	148.8 Å²	148.8	84%	0.843	82%	0.819	S	S	*	*			trans	-22.4	116.9	155.5	0	0	0	0	0	115.7
15	S	51.2	Low	52	Low	113 Å²	113	148.6 Å²	148.6	79%	0.79	82%	0.818	S	S	*	*			trans	-94.3	103.8	160.4	-64	0	0	0	0	108.3	K13 V17	K13-S15 PolarHBondContact O-N 3.43Å; S15-V17 PolarHBondContact O-N 3.12Å; S15-V17 VanDerWaalsContact O-N 3.08Å
16	K	51.5	Low	52.4	Low	202 Å²	202	151.8 Å²	151.8	88%	0.878	82%	0.821	S	S	*	*			trans	-62.2	105.1	168.3	-91.7	177.7	173.3	174.6	0	108.5	K18	K16-K18 PolarHBondContact O-N 3.08Å; K16-K18 VanDerWaalsContact O-N 3.12Å
17	V	55.3	Low	52.9	Low	124 Å²	124	154.3 Å²	154.3	75%	0.752	82%	0.82	S	S	*	*			trans	-65.8	107.5	166.3	-179.8	0	0	0	0	107.7	S15 L19	S15-V17 PolarHBondContact O-N 3.12Å; S15-V17 VanDerWaalsContact O-N 3.08Å; V17-L19 PolarHBondContact O-N 3.19Å
18	K	51.6	Low	53.6	Low	201 Å²	201	160 Å²	160	87%	0.874	82%	0.822	S	S	*	*			trans	-71.4	102.2	167.8	-78.4	-178.8	176.7	177.9	0	107.7	K16	K16-K18 PolarHBondContact O-N 3.08Å; K16-K18 VanDerWaalsContact O-N 3.12Å
19	L	58	Low	54.3	Low	145 Å²	145	168 Å²	168	76%	0.759	83%	0.83	S	S	*	*			trans	-64.6	138.7	164.1	-85.2	91.2	0	0	0	109.3	V17 K21	V17-L19 PolarHBondContact O-N 3.19Å; L19-K21 PolarHBondContact O-N 3.35Å
20	P	55.9	Low	55.6	Low	111 Å²	111	168.1 Å²	168.1	72%	0.721	83%	0.825	S	S	*	*			trans	-62.9	130.3	175.9	27.2	-32.4	0	0	0	109	V22	P20-V22 VanDerWaalsContact C-N 3.26Å; P20-V22 PolarHBondContact O-N 2.84Å
21	K	53.5	Low	57.1	Low	199 Å²	199	172 Å²	172	87%	0.865	82%	0.822	S	S	*	*			trans	-63.7	93	167.8	-82	179	175.2	174.3	0	107.2	L19 D23	L19-K21 PolarHBondContact O-N 3.35Å; K21-D23 PolarHBondContact O-N 2.71Å; K21-D23 VanDerWaalsContact O-N 3.11Å
22	V	57.7	Low	58.3	Low	113 Å²	113	177.4 Å²	177.4	69%	0.685	83%	0.833	S	S	*	*			trans	-61.5	112.8	163	175	0	0	0	0	105.9	P20 K24	P20-V22 VanDerWaalsContact C-N 3.26Å; P20-V22 PolarHBondContact O-N 2.84Å; V22-K24 PolarHBondContact O-N 3.11Å
23	D	56.5	Low	60.3	Low	152 Å²	152	170.1 Å²	170.1	81%	0.813	81%	0.808	S	S	*	*			trans	-57	84.5	168.3	-78.1	-59.8	0	0	0	109	K21 K25	K21-D23 PolarHBondContact O-N 2.71Å; K21-D23 VanDerWaalsContact O-N 3.11Å; D23-K25 PolarHBondContact O-N 2.79Å
24	K	59.3	Low	62.6	Low	184 Å²	184	163.9 Å²	163.9	80%	0.8	78%	0.779	S	S	*	*			trans	-67.9	83.6	165.5	-79.3	178.2	177.9	169.1	0	105.9	V22 K26	V22-K24 PolarHBondContact O-N 3.11Å; K24-K26 PolarHBondContact O-N 2.9Å
25	K	58.4	Low	65	Low	196 Å²	196	160.3 Å²	160.3	85%	0.852	75%	0.75	S	S	*	*			trans	-34.6	110.1	158.5	-89.8	179.4	175.2	173.2	0	106.2	D23 K27	D23-K25 PolarHBondContact O-N 2.79Å; K25-K27 PolarHBondContact O-N 2.88Å
26	K	59.7	Low	67	Low	200 Å²	200	158.7 Å²	158.7	87%	0.87	73%	0.731	S	S	*	*			trans	-36.5	109.9	-175	-86	174.2	172.1	173.5	0	108	K24 R28	K24-K26 PolarHBondContact O-N 2.9Å; K26-R28 PolarHBondContact O-N 3.1Å
27	K	62.8	Low	69.1	Low	203 Å²	203	156 Å²	156	88%	0.883	72%	0.717	S	S	*	*			trans	-48.8	110.3	173.4	-85	-177.2	173.8	-177.9	0	105.7	K25 R29	K25-K27 PolarHBondContact O-N 2.88Å; K27-R29 PolarHBondContact O-N 2.83Å; K27-R29 VanDerWaalsContact O-N 3.1Å
28	R	63	Low	71	Confident	243 Å²	243	151.1 Å²	151.1	92%	0.917	69%	0.686	S	S	*	*			trans	-48.2	124.4	176.5	-106	178.6	162.7	177.7	-4.3	106	K26 R30	K26-R28 PolarHBondContact O-N 3.1Å; R28-R30 PolarHBondContact O-N 3Å
29	R	65.4	Low	73.1	Confident	242 Å²	242	146.6 Å²	146.6	91%	0.913	67%	0.665	S	S	*	*			trans	-46.9	119.7	173.9	-83.2	-176.1	166.1	-174.1	-3.9	106.8	K27 K31	K27-R29 PolarHBondContact O-N 2.83Å; K27-R29 VanDerWaalsContact O-N 3.1Å; R29-K31 PolarHBondContact O-N 3.09Å
30	R	68.8	Low	74.9	Confident	202 Å²	202	145.6 Å²	145.6	76%	0.762	65%	0.654	S	S	*	*			trans	-59.6	115.5	-179.7	-176	176.9	-179.8	174.2	-1.7	106.2	R28 E32	R28-R30 PolarHBondContact O-N 3Å; R30-E32 PolarHBondContact O-N 3.36Å
31	K	74.7	Confident	76.8	Confident	191 Å²	191	144.3 Å²	144.3	83%	0.83	64%	0.644	S	S	*	*			trans	-67.8	124.2	170.9	-70.2	-171.9	176.3	-171.9	0	106.8	R29 S33	R29-K31 PolarHBondContact O-N 3.09Å; K31-S33 PolarHBondContact O-N 3.17Å
32	E	80.7	Confident	78.9	Confident	195 Å²	195	136.3 Å²	136.3	91%	0.911	61%	0.611	S	S	*	*			trans	-63	126.2	169.3	-67.1	-180	165.4	0	0	107.7	R30	R30-E32 PolarHBondContact O-N 3.36Å
33	S	92.2	Very high	80.7	Confident	52 Å²	52	135.2 Å²	135.2	36%	0.364	59%	0.594	S	S	.	*			trans	-157.4	147.4	-175.8	171.1	0	0	0	0	109.5	K31 A35 N60	K31-S33 PolarHBondContact O-N 3.17Å; S33-A35 PolarHBondContact O-N 3.24Å; S33-A35 WeakPolarHBondContact OG-CB 3.24Å; S33-A35 PolarHBondContact OG-N 3.23Å; S33-A35 VanDerWaalsContact OG-N 3.15Å; S33-N60 WeakPolarHBondContact CA-OD1 3.31Å; S33-N60 PolarHBondContact OG-OD1 2.98Å
34	Y	94.5	Very high	82.6	Confident	71 Å²	71	135.5 Å²	135.5	28%	0.278	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	0.6	175.7	-62.3	-80.9	0	0	0	113.6	I36 Y37 I38 N60 V63 N64	Y34-I36 PolarHBondContact O-N 3.33Å; Y34-I36 VanDerWaalsContact O-N 3.1Å; Y34-Y37 HydrophobicContact CD1-CD2 4.14Å; Y34-Y37 PolarHBondContact O-N 3.45Å; Y34-I38 WeakPolarHBondContact O-CG1 3.33Å; Y34-I38 PolarHBondContact O-N 3.05Å; Y34-N60 PolarHBondContact N-OD1 3.38Å; Y34-V63 HydrophobicContact CD1-CG1 3.84Å; Y34-V63 HydrophobicContact CD2-CB 4.05Å; Y34-V63 HydrophobicContact CD2-CG1 3.54Å; Y34-V63 HydrophobicContact CE1-CG1 4Å; Y34-V63 HydrophobicContact CE2-CG1 3.72Å; Y34-V63 HydrophobicContact CG-CB 4.26Å; Y34-V63 HydrophobicContact CG-CG1 3.6Å; Y34-N64 WeakPolarHBondContact CE2-OD1 3.43Å
35	A	94.1	Very high	84.4	Confident	28 Å²	28	131.1 Å²	131.1	23%	0.231	58%	0.579	C	S	.	*	H	α-helix	trans	-52.8	-37.1	-174.3	0	0	0	0	0	114.1	S33 Y39 M56	S33-A35 PolarHBondContact O-N 3.24Å; S33-A35 WeakPolarHBondContact OG-CB 3.24Å; S33-A35 PolarHBondContact OG-N 3.23Å; S33-A35 VanDerWaalsContact OG-N 3.15Å; A35-Y39 WeakPolarHBondContact O-CB 3.48Å; A35-Y39 PolarHBondContact O-N 3.49Å; A35-M56 HydrophobicContact CB-CE 4.21Å; A35-M56 HydrophobicContact CB-CG 3.99Å; A35-M56 HydrophobicContact CB-SD 3.82Å
36	I	94.2	Very high	86.3	Confident	78 Å²	78	126.8 Å²	126.8	40%	0.4	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-42.1	177.9	-63.4	173.7	0	0	0	110.9	Y34 K40	Y34-I36 PolarHBondContact O-N 3.33Å; Y34-I36 VanDerWaalsContact O-N 3.1Å; I36-K40 HydrophobicContact CG2-CD 4.44Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 3.04Å
37	Y	94.6	Very high	88	Confident	145 Å²	145	120.9 Å²	120.9	57%	0.569	54%	0.544	S	S	*	.	H	α-helix	trans	-75.3	-39.9	-178.3	-50.9	-71.8	0	0	0	111.3	Y34 Y39 K40 V41	Y34-Y37 HydrophobicContact CD1-CD2 4.14Å; Y34-Y37 PolarHBondContact O-N 3.45Å; Y37-Y39 VanDerWaalsContact C-N 3.26Å; Y37-Y39 PolarHBondContact O-N 3.28Å; Y37-K40 PolarHBondContact O-N 2.9Å; Y37-K40 VanDerWaalsContact O-N 3.17Å; Y37-V41 WeakPolarHBondContact O-CG2 3.19Å; Y37-V41 PolarHBondContact O-N 2.92Å
38	I	96.3	Very high	89.7	Confident	22 Å²	22	118.7 Å²	118.7	11%	0.113	54%	0.541	C	S	.	.	H	α-helix	trans	-56.6	-45.4	173.1	-64.3	161.8	0	0	0	109.6	Y34 L42 I51 M56 M59 N60	Y34-I38 WeakPolarHBondContact O-CG1 3.33Å; Y34-I38 PolarHBondContact O-N 3.05Å; I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 PolarHBondContact O-N 3.19Å; I38-I51 HydrophobicContact CG2-CD1 4.3Å; I38-M56 HydrophobicContact CB-SD 3.88Å; I38-M56 HydrophobicContact CD1-SD 4.2Å; I38-M56 HydrophobicContact CG2-SD 3.72Å; I38-M59 HydrophobicContact CD1-CB 3.78Å; I38-M59 HydrophobicContact CG1-CB 4.42Å; I38-M59 HydrophobicContact CG2-CB 4.12Å; I38-M59 HydrophobicContact CG2-CG 4.46Å; I38-N60 HydrophobicContact CD1-CB 4.28Å
39	Y	95.8	Very high	91.3	Very high	107 Å²	107	110.4 Å²	110.4	42%	0.42	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-42.1	176.7	-171.3	-100.8	0	0	0	113.2	A35 Y37 L42 R43	A35-Y39 WeakPolarHBondContact O-CB 3.48Å; A35-Y39 PolarHBondContact O-N 3.49Å; Y37-Y39 VanDerWaalsContact C-N 3.26Å; Y37-Y39 PolarHBondContact O-N 3.28Å; Y39-L42 PolarHBondContact O-N 3.32Å; Y39-R43 HydrophobicContact CD1-CG 4.25Å; Y39-R43 HydrophobicContact CE1-CG 3.8Å; Y39-R43 HydrophobicContact CE2-CG 4.32Å; Y39-R43 VanDerWaalsContact CZ-NE 3.33Å; Y39-R43 WeakPolarHBondContact O-CG 3.31Å; Y39-R43 PolarHBondContact O-N 3.27Å; Y39-R43 PolarHBondContact OH-NE 2.99Å; Y39-R43 PolarHBondContact OH-NH2 2.97Å; Y39-R43 VanDerWaalsContact OH-NH2 3.17Å
40	K	95.6	Very high	92.7	Very high	124 Å²	124	101.5 Å²	101.5	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-46.7	177.2	-79	179.7	176.4	-171.6	0	111.8	I36 Y37 R43 Q44	I36-K40 HydrophobicContact CG2-CD 4.44Å; I36-K40 WeakPolarHBondContact O-CG 3.49Å; I36-K40 PolarHBondContact O-N 3.04Å; Y37-K40 PolarHBondContact O-N 2.9Å; Y37-K40 VanDerWaalsContact O-N 3.17Å; K40-R43 PolarHBondContact O-N 2.94Å; K40-Q44 VanDerWaalsContact O-CG 3.32Å; K40-Q44 WeakPolarHBondContact O-CG 3.34Å; K40-Q44 PolarHBondContact O-N 3.42Å; K40-Q44 VanDerWaalsContact O-N 3.14Å
41	V	95.6	Very high	94.1	Very high	84 Å²	84	94.4 Å²	94.4	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-65.7	-43	178.4	175.8	0	0	0	0	110.6	Y37 R43 Q44 V45	Y37-V41 WeakPolarHBondContact O-CG2 3.19Å; Y37-V41 PolarHBondContact O-N 2.92Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.45Å; V41-Q44 WeakPolarHBondContact O-CB 3.48Å; V41-Q44 PolarHBondContact O-N 3.38Å; V41-Q44 VanDerWaalsContact O-N 3.12Å; V41-V45 HydrophobicContact CG1-CG2 4.41Å; V41-V45 WeakPolarHBondContact O-CG2 3.44Å; V41-V45 PolarHBondContact O-N 3.22Å; V41-V45 VanDerWaalsContact O-N 3.09Å
42	L	97	Very high	95.1	Very high	31 Å²	31	88.8 Å²	88.8	16%	0.162	46%	0.463	C	S	.	.	H	α-helix	trans	-56.1	-46.9	176.3	177.7	64.3	0	0	0	111.8	I38 Y39 Q44 V45 H46 I51	I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 PolarHBondContact O-N 3.19Å; Y39-L42 PolarHBondContact O-N 3.32Å; L42-Q44 VanDerWaalsContact C-N 3.27Å; L42-Q44 PolarHBondContact O-N 3.45Å; L42-V45 PolarHBondContact O-N 3.08Å; L42-H46 HydrophobicContact CD1-CB 4.33Å; L42-H46 CarbonylContact O-C 3.53Å; L42-H46 WeakPolarHBondContact O-CA 3.43Å; L42-H46 PolarHBondContact O-N 2.97Å; L42-I51 HydrophobicContact CD2-CB 3.71Å; L42-I51 HydrophobicContact CD2-CG2 3.74Å
43	R	96.7	Very high	95.9	Very high	90 Å²	90	84.7 Å²	84.7	34%	0.34	46%	0.456	S	S	.	.	H	α-helix	trans	-70.4	-22.9	179.9	-69	-64.8	175.6	-175.2	-3.9	113.9	Y39 K40 V41 P47 T49	Y39-R43 HydrophobicContact CD1-CG 4.25Å; Y39-R43 HydrophobicContact CE1-CG 3.8Å; Y39-R43 HydrophobicContact CE2-CG 4.32Å; Y39-R43 VanDerWaalsContact CZ-NE 3.33Å; Y39-R43 WeakPolarHBondContact O-CG 3.31Å; Y39-R43 PolarHBondContact O-N 3.27Å; Y39-R43 PolarHBondContact OH-NE 2.99Å; Y39-R43 PolarHBondContact OH-NH2 2.97Å; Y39-R43 VanDerWaalsContact OH-NH2 3.17Å; K40-R43 PolarHBondContact O-N 2.94Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.45Å; R43-P47 PolarHBondContact NH1-O 3.36Å; R43-T49 PolarHBondContact NH1-O 3.16Å
44	Q	96.1	Very high	96.1	Very high	157 Å²	157	89.9 Å²	89.9	73%	0.734	47%	0.472	S	S	*	.	H	α-helix	trans	-75.1	-34.1	173.4	-74.4	175.7	-38.4	0	0	112.4	K40 V41 L42	K40-Q44 VanDerWaalsContact O-CG 3.32Å; K40-Q44 WeakPolarHBondContact O-CG 3.34Å; K40-Q44 PolarHBondContact O-N 3.42Å; K40-Q44 VanDerWaalsContact O-N 3.14Å; V41-Q44 WeakPolarHBondContact O-CB 3.48Å; V41-Q44 PolarHBondContact O-N 3.38Å; V41-Q44 VanDerWaalsContact O-N 3.12Å; L42-Q44 VanDerWaalsContact C-N 3.27Å; L42-Q44 PolarHBondContact O-N 3.45Å
45	V	97.4	Very high	96.2	Very high	93 Å²	93	88 Å²	88	56%	0.564	47%	0.471	S	S	*	.	H	α-helix	trans	-94.7	-38.7	-176.5	-175.8	0	0	0	0	112.2	V41 L42	V41-V45 HydrophobicContact CG1-CG2 4.41Å; V41-V45 WeakPolarHBondContact O-CG2 3.44Å; V41-V45 PolarHBondContact O-N 3.22Å; V41-V45 VanDerWaalsContact O-N 3.09Å; L42-V45 PolarHBondContact O-N 3.08Å
46	H	96.8	Very high	96.4	Very high	104 Å²	104	88.4 Å²	88.4	48%	0.481	47%	0.469	S	S	.	.			trans	-136.1	82.3	-178.5	-61.7	-60.7	0	0	0	111.2	L42 D48 T49	L42-H46 HydrophobicContact CD1-CB 4.33Å; L42-H46 CarbonylContact O-C 3.53Å; L42-H46 WeakPolarHBondContact O-CA 3.43Å; L42-H46 PolarHBondContact O-N 2.97Å; H46-D48 PolarHBondContact O-N 3.23Å; H46-D48 VanDerWaalsContact O-N 3.16Å; H46-T49 PolarHBondContact O-N 3.31Å
47	P	96.9	Very high	96.4	Very high	76 Å²	76	88.1 Å²	88.1	49%	0.494	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.7	-177.2	-25.7	34.9	0	0	0	114.3	R43	R43-P47 PolarHBondContact NH1-O 3.36Å
48	D	96.9	Very high	96.6	Very high	157 Å²	157	86.1 Å²	86.1	84%	0.84	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-0.9	-174.9	-54.2	-45.9	0	0	0	113.7	H46	H46-D48 PolarHBondContact O-N 3.23Å; H46-D48 VanDerWaalsContact O-N 3.16Å
49	T	96.4	Very high	96.6	Very high	69 Å²	69	88.9 Å²	88.9	42%	0.423	49%	0.485	S	S	.	.			trans	-101.2	136.2	-177.2	-60.2	0	0	0	0	111.8	R43 H46	R43-T49 PolarHBondContact NH1-O 3.16Å; H46-T49 PolarHBondContact O-N 3.31Å
50	G	95.9	Very high	96.6	Very high	55 Å²	55	85.1 Å²	85.1	57%	0.567	47%	0.472	S	S	*	.			trans	-97.2	165.1	170.8	0	0	0	0	0	112.6
51	I	97.2	Very high	96.7	Very high	54 Å²	54	82.5 Å²	82.5	28%	0.277	47%	0.47	S	S	.	.			trans	-125.1	133.6	173.3	-171.5	170.1	0	0	0	109.8	I38 L42 A55 M56 M59	I38-I51 HydrophobicContact CG2-CD1 4.3Å; L42-I51 HydrophobicContact CD2-CB 3.71Å; L42-I51 HydrophobicContact CD2-CG2 3.74Å; I51-A55 HydrophobicContact CD1-CB 4.06Å; I51-A55 HydrophobicContact CG1-CB 3.58Å; I51-M56 HydrophobicContact CG2-CE 3.82Å; I51-M59 HydrophobicContact CD1-CG 4.2Å
52	S	97.3	Very high	96.8	Very high	72 Å²	72	84 Å²	84	50%	0.503	47%	0.469	S	S	.	.			trans	-70.6	159.4	177.5	73.5	0	0	0	0	111.6	K54 A55 M56	S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 2.82Å; S52-A55 PolarHBondContact O-N 3.22Å; S52-A55 WeakPolarHBondContact OG-CB 3.49Å; S52-A55 PolarHBondContact OG-N 3.35Å; S52-A55 VanDerWaalsContact OG-N 3.12Å; S52-M56 WeakPolarHBondContact O-CB 3.45Å; S52-M56 PolarHBondContact O-N 2.96Å
53	S	95.8	Very high	96.8	Very high	110 Å²	110	84.6 Å²	84.6	77%	0.769	47%	0.474	S	S	*	.	H	α-helix	trans	-60.8	-37.9	176.3	57.4	0	0	0	0	112.5	M56 S57	S53-M56 PolarHBondContact O-N 3.22Å; S53-S57 PolarHBondContact O-N 2.51Å
54	K	97.2	Very high	96.7	Very high	160 Å²	160	82.9 Å²	82.9	70%	0.696	47%	0.472	S	S	*	.	H	α-helix	trans	-64.1	-47.2	175.4	-173.2	175	-179.6	-179.7	0	111.2	S52 M56 S57 I58	S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 2.82Å; K54-M56 VanDerWaalsContact C-N 3.35Å; K54-M56 PolarHBondContact O-N 3.28Å; K54-S57 WeakPolarHBondContact O-CB 3.43Å; K54-S57 PolarHBondContact O-N 3.46Å; K54-I58 HydrophobicContact CG-CD1 4.29Å; K54-I58 WeakPolarHBondContact O-CG1 3.23Å; K54-I58 PolarHBondContact O-N 2.72Å
55	A	97.6	Very high	96.8	Very high	32 Å²	32	78.4 Å²	78.4	26%	0.264	45%	0.453	S	S	.	.	H	α-helix	trans	-63.8	-40.2	176.8	0	0	0	0	0	111.8	I51 S52 S57 I58 M59	I51-A55 HydrophobicContact CD1-CB 4.06Å; I51-A55 HydrophobicContact CG1-CB 3.58Å; S52-A55 PolarHBondContact O-N 3.22Å; S52-A55 WeakPolarHBondContact OG-CB 3.49Å; S52-A55 PolarHBondContact OG-N 3.35Å; S52-A55 VanDerWaalsContact OG-N 3.12Å; A55-S57 VanDerWaalsContact C-N 3.3Å; A55-S57 PolarHBondContact O-N 3.27Å; A55-I58 PolarHBondContact O-N 3.19Å; A55-M59 WeakPolarHBondContact O-CG 3.47Å; A55-M59 PolarHBondContact O-N 3.39Å
56	M	96.3	Very high	96.7	Very high	36 Å²	36	76.3 Å²	76.3	18%	0.177	44%	0.438	C	S	.	.	H	α-helix	trans	-59.4	-41.3	174	-173.9	69	92	0	0	111.8	A35 I38 I51 S52 S53 K54 M59 N60	A35-M56 HydrophobicContact CB-CE 4.21Å; A35-M56 HydrophobicContact CB-CG 3.99Å; A35-M56 HydrophobicContact CB-SD 3.82Å; I38-M56 HydrophobicContact CB-SD 3.88Å; I38-M56 HydrophobicContact CD1-SD 4.2Å; I38-M56 HydrophobicContact CG2-SD 3.72Å; I51-M56 HydrophobicContact CG2-CE 3.82Å; S52-M56 WeakPolarHBondContact O-CB 3.45Å; S52-M56 PolarHBondContact O-N 2.96Å; S53-M56 PolarHBondContact O-N 3.22Å; K54-M56 VanDerWaalsContact C-N 3.35Å; K54-M56 PolarHBondContact O-N 3.28Å; M56-M59 PolarHBondContact O-N 3.42Å; M56-N60 WeakPolarHBondContact O-CB 3.49Å; M56-N60 PolarHBondContact O-N 2.9Å
57	S	95.9	Very high	96.7	Very high	72 Å²	72	76.8 Å²	76.8	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-64.1	-43.5	175.9	-168.7	0	0	0	0	112	S53 K54 A55 N60 S61	S53-S57 PolarHBondContact O-N 2.51Å; K54-S57 WeakPolarHBondContact O-CB 3.43Å; K54-S57 PolarHBondContact O-N 3.46Å; A55-S57 VanDerWaalsContact C-N 3.3Å; A55-S57 PolarHBondContact O-N 3.27Å; S57-N60 PolarHBondContact O-N 3.13Å; S57-S61 PolarHBondContact O-N 3.45Å; S57-S61 PolarHBondContact O-OG 2.87Å
58	I	97.4	Very high	96.7	Very high	103 Å²	103	79.3 Å²	79.3	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-47.3	177.4	-66.8	165.6	0	0	0	110.2	K54 A55 N60 S61 F62	K54-I58 HydrophobicContact CG-CD1 4.29Å; K54-I58 WeakPolarHBondContact O-CG1 3.23Å; K54-I58 PolarHBondContact O-N 2.72Å; A55-I58 PolarHBondContact O-N 3.19Å; I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.08Å; I58-S61 PolarHBondContact O-N 2.9Å; I58-F62 WeakPolarHBondContact O-CB 3.49Å; I58-F62 PolarHBondContact O-N 2.98Å
59	M	97.5	Very high	96.8	Very high	80 Å²	80	78 Å²	78	39%	0.394	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-40	178.1	-70.3	-59.6	-66.4	0	0	112.1	I38 I51 A55 M56 F62 V63	I38-M59 HydrophobicContact CD1-CB 3.78Å; I38-M59 HydrophobicContact CG1-CB 4.42Å; I38-M59 HydrophobicContact CG2-CB 4.12Å; I38-M59 HydrophobicContact CG2-CG 4.46Å; I51-M59 HydrophobicContact CD1-CG 4.2Å; A55-M59 WeakPolarHBondContact O-CG 3.47Å; A55-M59 PolarHBondContact O-N 3.39Å; M56-M59 PolarHBondContact O-N 3.42Å; M59-F62 PolarHBondContact O-N 3.38Å; M59-V63 WeakPolarHBondContact O-CG2 3.26Å; M59-V63 PolarHBondContact O-N 3.36Å
60	N	96	Very high	96.9	Very high	29 Å²	29	76.2 Å²	76.2	16%	0.155	42%	0.415	C	S	.	.	H	α-helix	trans	-63.1	-44	175	-176.9	87.6	0	0	0	111.4	S33 Y34 I38 M56 S57 I58 V63 N64	S33-N60 WeakPolarHBondContact CA-OD1 3.31Å; S33-N60 PolarHBondContact OG-OD1 2.98Å; Y34-N60 PolarHBondContact N-OD1 3.38Å; I38-N60 HydrophobicContact CD1-CB 4.28Å; M56-N60 WeakPolarHBondContact O-CB 3.49Å; M56-N60 PolarHBondContact O-N 2.9Å; S57-N60 PolarHBondContact O-N 3.13Å; I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.08Å; N60-V63 PolarHBondContact O-N 3.23Å; N60-N64 PolarHBondContact ND2-ND2 3.26Å; N60-N64 PolarHBondContact O-N 2.78Å; N60-N64 VanDerWaalsContact O-N 3.12Å; N60-N64 PolarHBondContact O-ND2 2.9Å
61	S	96.8	Very high	96.9	Very high	69 Å²	69	75.5 Å²	75.5	48%	0.483	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175.2	-66	0	0	0	0	112.3	S57 I58 V63 N64 D65	S57-S61 PolarHBondContact O-N 3.45Å; S57-S61 PolarHBondContact O-OG 2.87Å; I58-S61 PolarHBondContact O-N 2.9Å; S61-V63 PolarHBondContact O-N 3.42Å; S61-N64 PolarHBondContact O-N 3.5Å; S61-D65 PolarHBondContact O-N 2.86Å
62	F	97.2	Very high	97	Very high	115 Å²	115	75.3 Å²	75.3	50%	0.504	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-45.2	175.5	174.2	-113.4	0	0	0	112.2	I58 M59 N64 D65 I66	I58-F62 WeakPolarHBondContact O-CB 3.49Å; I58-F62 PolarHBondContact O-N 2.98Å; M59-F62 PolarHBondContact O-N 3.38Å; F62-N64 VanDerWaalsContact C-N 3.3Å; F62-N64 PolarHBondContact O-N 3.15Å; F62-D65 PolarHBondContact O-N 2.85Å; F62-I66 HydrophobicContact CD2-CG1 4.23Å; F62-I66 HydrophobicContact CE1-CG1 4.5Å; F62-I66 HydrophobicContact CE2-CD1 4.08Å; F62-I66 HydrophobicContact CE2-CG1 3.75Å; F62-I66 HydrophobicContact CZ-CD1 4.43Å; F62-I66 HydrophobicContact CZ-CG1 3.9Å; F62-I66 WeakPolarHBondContact O-CG1 3.25Å; F62-I66 PolarHBondContact O-N 3.4Å; F62-I66 VanDerWaalsContact O-N 3.11Å
63	V	96.7	Very high	97	Very high	44 Å²	44	73.1 Å²	73.1	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-40.2	176.2	174.9	0	0	0	0	111.3	Y34 M59 N60 S61 F67	Y34-V63 HydrophobicContact CD1-CG1 3.84Å; Y34-V63 HydrophobicContact CD2-CB 4.05Å; Y34-V63 HydrophobicContact CD2-CG1 3.54Å; Y34-V63 HydrophobicContact CE1-CG1 4Å; Y34-V63 HydrophobicContact CE2-CG1 3.72Å; Y34-V63 HydrophobicContact CG-CB 4.26Å; Y34-V63 HydrophobicContact CG-CG1 3.6Å; M59-V63 WeakPolarHBondContact O-CG2 3.26Å; M59-V63 PolarHBondContact O-N 3.36Å; N60-V63 PolarHBondContact O-N 3.23Å; S61-V63 PolarHBondContact O-N 3.42Å; V63-F67 VanDerWaalsContact O-CB 3.23Å; V63-F67 WeakPolarHBondContact O-CB 3.33Å; V63-F67 PolarHBondContact O-N 3.5Å
64	N	96.4	Very high	97.1	Very high	53 Å²	53	68 Å²	68	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-45.1	176.8	-73	-61	0	0	0	112.3	Y34 N60 S61 F62 I66 F67 E68	Y34-N64 WeakPolarHBondContact CE2-OD1 3.43Å; N60-N64 PolarHBondContact ND2-ND2 3.26Å; N60-N64 PolarHBondContact O-N 2.78Å; N60-N64 VanDerWaalsContact O-N 3.12Å; N60-N64 PolarHBondContact O-ND2 2.9Å; S61-N64 PolarHBondContact O-N 3.5Å; F62-N64 VanDerWaalsContact C-N 3.3Å; F62-N64 PolarHBondContact O-N 3.15Å; N64-I66 PolarHBondContact O-N 3.34Å; N64-F67 PolarHBondContact O-N 2.76Å; N64-E68 WeakPolarHBondContact O-CG 3.25Å; N64-E68 PolarHBondContact O-N 3.01Å
65	D	97	Very high	97.2	Very high	64 Å²	64	62.5 Å²	62.5	34%	0.342	34%	0.338	S	S	.	.	H	α-helix	trans	-58.4	-48.3	178.4	-179.6	20.3	0	0	0	111.2	S61 F62 F67 E68 R69	S61-D65 PolarHBondContact O-N 2.86Å; F62-D65 PolarHBondContact O-N 2.85Å; D65-F67 PolarHBondContact O-N 2.92Å; D65-E68 PolarHBondContact O-N 3.34Å; D65-R69 VanDerWaalsContact CG-NH2 3.34Å; D65-R69 VanDerWaalsContact O-CG 3.29Å; D65-R69 WeakPolarHBondContact O-CG 3.37Å; D65-R69 PolarHBondContact O-N 3.43Å; D65-R69 VanDerWaalsContact O-N 3.08Å; D65-R69 IonicContact OD1-CZ 3.51Å; D65-R69 IonicContact OD1-NE 3.65Å; D65-R69 PolarHBondContact OD1-NE 2.92Å; D65-R69 IonicContact OD1-NH2 3.72Å; D65-R69 PolarHBondContact OD1-NH2 3.47Å; D65-R69 VanDerWaalsContact OD1-NH2 3.09Å; D65-R69 IonicContact OD2-CZ 2.79Å; D65-R69 IonicContact OD2-NE 3.09Å; D65-R69 IonicContact OD2-NH2 2.59Å; D65-R69 PolarHBondContact OD2-NH2 2.91Å
66	I	96.3	Very high	97.2	Very high	48 Å²	48	66.8 Å²	66.8	25%	0.246	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-39.6	177	-61.9	-58.5	0	0	0	111.7	F62 N64 R69 I70	F62-I66 HydrophobicContact CD2-CG1 4.23Å; F62-I66 HydrophobicContact CE1-CG1 4.5Å; F62-I66 HydrophobicContact CE2-CD1 4.08Å; F62-I66 HydrophobicContact CE2-CG1 3.75Å; F62-I66 HydrophobicContact CZ-CD1 4.43Å; F62-I66 HydrophobicContact CZ-CG1 3.9Å; F62-I66 WeakPolarHBondContact O-CG1 3.25Å; F62-I66 PolarHBondContact O-N 3.4Å; F62-I66 VanDerWaalsContact O-N 3.11Å; N64-I66 PolarHBondContact O-N 3.34Å; I66-R69 PolarHBondContact O-N 2.87Å; I66-I70 HydrophobicContact CG2-CD1 3.7Å; I66-I70 HydrophobicContact CG2-CG1 4.38Å; I66-I70 VanDerWaalsContact O-CG1 3.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.1Å
67	F	96.6	Very high	97.2	Very high	115 Å²	115	66.4 Å²	66.4	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-47.6	177.2	177.2	-91.4	0	0	0	112	V63 N64 D65 R69 I70 A71	V63-F67 VanDerWaalsContact O-CB 3.23Å; V63-F67 WeakPolarHBondContact O-CB 3.33Å; V63-F67 PolarHBondContact O-N 3.5Å; N64-F67 PolarHBondContact O-N 2.76Å; D65-F67 PolarHBondContact O-N 2.92Å; F67-R69 VanDerWaalsContact C-N 3.34Å; F67-R69 PolarHBondContact O-N 3.13Å; F67-I70 PolarHBondContact O-N 2.94Å; F67-A71 HydrophobicContact CE1-CB 4.5Å; F67-A71 WeakPolarHBondContact O-CB 3.43Å; F67-A71 PolarHBondContact O-N 3.3Å
68	E	97.3	Very high	97.3	Very high	129 Å²	129	63.2 Å²	63.2	60%	0.603	32%	0.323	S	S	*	.	H	α-helix	trans	-61.6	-42.5	179	-74.8	179.8	-173.7	0	0	111.4	N64 D65 A71 A72	N64-E68 WeakPolarHBondContact O-CG 3.25Å; N64-E68 PolarHBondContact O-N 3.01Å; D65-E68 PolarHBondContact O-N 3.34Å; E68-A71 PolarHBondContact O-N 3.49Å; E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.48Å; E68-A72 PolarHBondContact O-N 3.5Å
69	R	97.8	Very high	97.3	Very high	128 Å²	128	64.7 Å²	64.7	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-47.3	174.7	-68.2	176.6	-163.6	-156.3	7.4	111.8	D65 I66 F67 A72 E73 L98	D65-R69 VanDerWaalsContact CG-NH2 3.34Å; D65-R69 VanDerWaalsContact O-CG 3.29Å; D65-R69 WeakPolarHBondContact O-CG 3.37Å; D65-R69 PolarHBondContact O-N 3.43Å; D65-R69 VanDerWaalsContact O-N 3.08Å; D65-R69 IonicContact OD1-CZ 3.51Å; D65-R69 IonicContact OD1-NE 3.65Å; D65-R69 PolarHBondContact OD1-NE 2.92Å; D65-R69 IonicContact OD1-NH2 3.72Å; D65-R69 PolarHBondContact OD1-NH2 3.47Å; D65-R69 VanDerWaalsContact OD1-NH2 3.09Å; D65-R69 IonicContact OD2-CZ 2.79Å; D65-R69 IonicContact OD2-NE 3.09Å; D65-R69 IonicContact OD2-NH2 2.59Å; D65-R69 PolarHBondContact OD2-NH2 2.91Å; I66-R69 PolarHBondContact O-N 2.87Å; F67-R69 VanDerWaalsContact C-N 3.34Å; F67-R69 PolarHBondContact O-N 3.13Å; R69-A72 PolarHBondContact O-N 3.28Å; R69-E73 WeakPolarHBondContact O-CB 3.42Å; R69-E73 PolarHBondContact O-N 3.33Å; R69-L98 VanDerWaalsContact C-CD1 3.43Å; R69-L98 HydrophobicContact CB-CD1 3.87Å; R69-L98 HydrophobicContact CB-CD2 4.2Å; R69-L98 WeakPolarHBondContact O-CD1 3.33Å
70	I	97.6	Very high	97.2	Very high	33 Å²	33	69.1 Å²	69.1	17%	0.169	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-45.1	178.6	-68	164.8	0	0	0	110.6	I66 F67 A72 E73 A74 V91 A94 V95 L98	I66-I70 HydrophobicContact CG2-CD1 3.7Å; I66-I70 HydrophobicContact CG2-CG1 4.38Å; I66-I70 VanDerWaalsContact O-CG1 3.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.1Å; F67-I70 PolarHBondContact O-N 2.94Å; I70-A72 PolarHBondContact O-N 3.04Å; I70-E73 PolarHBondContact O-N 2.89Å; I70-A74 VanDerWaalsContact O-CB 3.26Å; I70-A74 WeakPolarHBondContact O-CB 3.45Å; I70-A74 PolarHBondContact O-N 3.4Å; I70-V91 HydrophobicContact CG2-CG1 4.19Å; I70-A94 HydrophobicContact CG2-CB 4.17Å; I70-V95 HydrophobicContact CD1-CG2 3.95Å; I70-V95 HydrophobicContact CG1-CG2 4.26Å; I70-V95 HydrophobicContact CG2-CG2 4.17Å; I70-L98 VanDerWaalsContact CA-CD1 3.44Å; I70-L98 HydrophobicContact CB-CD1 4.12Å; I70-L98 HydrophobicContact CG1-CD1 3.56Å
71	A	97.8	Very high	97.2	Very high	40 Å²	40	71.4 Å²	71.4	33%	0.331	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-42.9	179.3	0	0	0	0	0	111.8	F67 E68 A74 S75	F67-A71 HydrophobicContact CE1-CB 4.5Å; F67-A71 WeakPolarHBondContact O-CB 3.43Å; F67-A71 PolarHBondContact O-N 3.3Å; E68-A71 PolarHBondContact O-N 3.49Å; A71-A74 PolarHBondContact O-N 3.34Å; A71-S75 VanDerWaalsContact O-CB 3.31Å; A71-S75 WeakPolarHBondContact O-CB 3.38Å; A71-S75 PolarHBondContact O-N 3.14Å
72	A	98.1	Very high	97.2	Very high	49 Å²	49	77.7 Å²	77.7	41%	0.405	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-42.6	177.1	0	0	0	0	0	112.2	E68 R69 I70 S75 R76	E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.48Å; E68-A72 PolarHBondContact O-N 3.5Å; R69-A72 PolarHBondContact O-N 3.28Å; I70-A72 PolarHBondContact O-N 3.04Å; A72-S75 PolarHBondContact O-N 3.4Å; A72-R76 WeakPolarHBondContact O-CG 3.29Å; A72-R76 PolarHBondContact O-N 3.28Å
73	E	98	Very high	97.2	Very high	26 Å²	26	77.3 Å²	77.3	12%	0.121	37%	0.37	C	S	.	.	H	α-helix	trans	-67.2	-43.4	175.9	-168.9	65.2	-123.8	0	0	111.7	R69 I70 S75 R76 L77 A94 L97 L98	R69-E73 WeakPolarHBondContact O-CB 3.42Å; R69-E73 PolarHBondContact O-N 3.33Å; I70-E73 PolarHBondContact O-N 2.89Å; E73-S75 VanDerWaalsContact C-N 3.3Å; E73-S75 PolarHBondContact O-N 3.29Å; E73-R76 PolarHBondContact O-N 2.98Å; E73-R76 IonicContact OE2-CZ 3.17Å; E73-R76 IonicContact OE2-NE 3.82Å; E73-R76 IonicContact OE2-NH1 2.76Å; E73-R76 IonicContact OE2-NH2 3.34Å; E73-R76 PolarHBondContact OE2-NH2 2.95Å; E73-L77 HydrophobicContact CG-CD1 4.47Å; E73-L77 WeakPolarHBondContact O-CG 3.36Å; E73-L77 PolarHBondContact O-N 2.86Å; E73-A94 HydrophobicContact CB-CB 3.76Å; E73-A94 HydrophobicContact CG-CB 3.82Å; E73-L97 HydrophobicContact CG-CB 4.3Å; E73-L97 HydrophobicContact CG-CD1 3.88Å; E73-L98 HydrophobicContact CB-CD1 4.2Å
74	A	98.1	Very high	97.1	Very high	2 Å²	2	81.1 Å²	81.1	2%	0.017	40%	0.399	C	S	.	.	H	α-helix	trans	-62.8	-37.4	176.7	0	0	0	0	0	112.1	I70 A71 L77 S78 I86 E90 V91 A94	I70-A74 VanDerWaalsContact O-CB 3.26Å; I70-A74 WeakPolarHBondContact O-CB 3.45Å; I70-A74 PolarHBondContact O-N 3.4Å; A71-A74 PolarHBondContact O-N 3.34Å; A74-L77 PolarHBondContact O-N 2.98Å; A74-S78 PolarHBondContact O-N 3.2Å; A74-I86 HydrophobicContact CB-CG2 3.92Å; A74-E90 HydrophobicContact CB-CB 4.33Å; A74-V91 HydrophobicContact CB-CG2 4.31Å; A74-A94 HydrophobicContact CB-CB 4Å
75	S	97.8	Very high	97.1	Very high	45 Å²	45	83.3 Å²	83.3	32%	0.315	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-44.4	173.5	-177.2	0	0	0	0	112	A71 A72 E73 L77 S78 H79	A71-S75 VanDerWaalsContact O-CB 3.31Å; A71-S75 WeakPolarHBondContact O-CB 3.38Å; A71-S75 PolarHBondContact O-N 3.14Å; A72-S75 PolarHBondContact O-N 3.4Å; E73-S75 VanDerWaalsContact C-N 3.3Å; E73-S75 PolarHBondContact O-N 3.29Å; S75-L77 PolarHBondContact O-N 3.42Å; S75-S78 PolarHBondContact O-N 3.25Å; S75-H79 PolarHBondContact O-N 2.95Å; S75-H79 PolarHBondContact O-ND1 2.94Å
76	R	97.8	Very high	97.1	Very high	123 Å²	123	84.1 Å²	84.1	46%	0.464	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-44.9	174.6	-77.3	-175	-76.1	168.4	-2.3	111.8	A72 E73 S78 H79 Y80	A72-R76 WeakPolarHBondContact O-CG 3.29Å; A72-R76 PolarHBondContact O-N 3.28Å; E73-R76 PolarHBondContact O-N 2.98Å; E73-R76 IonicContact OE2-CZ 3.17Å; E73-R76 IonicContact OE2-NE 3.82Å; E73-R76 IonicContact OE2-NH1 2.76Å; E73-R76 IonicContact OE2-NH2 3.34Å; E73-R76 PolarHBondContact OE2-NH2 2.95Å; R76-S78 VanDerWaalsContact C-N 3.35Å; R76-S78 PolarHBondContact O-N 3.35Å; R76-H79 PolarHBondContact O-N 3.48Å; R76-Y80 HydrophobicContact CB-CE2 4.31Å; R76-Y80 VanDerWaalsContact O-CD2 3.24Å; R76-Y80 WeakPolarHBondContact O-CD2 3.48Å; R76-Y80 PolarHBondContact O-N 3.19Å
77	L	97.7	Very high	97	Very high	28 Å²	28	84 Å²	84	15%	0.147	42%	0.422	C	S	.	.	H	α-helix	trans	-61.5	-40.8	176.2	-69.9	169.4	0	0	0	112.6	E73 A74 S75 Y80 N81 E90 T93 A94 L97	E73-L77 HydrophobicContact CG-CD1 4.47Å; E73-L77 WeakPolarHBondContact O-CG 3.36Å; E73-L77 PolarHBondContact O-N 2.86Å; A74-L77 PolarHBondContact O-N 2.98Å; S75-L77 PolarHBondContact O-N 3.42Å; L77-Y80 PolarHBondContact O-N 3.45Å; L77-N81 WeakPolarHBondContact O-CB 3.27Å; L77-N81 PolarHBondContact O-N 3.42Å; L77-N81 VanDerWaalsContact O-N 3.08Å; L77-N81 PolarHBondContact O-ND2 3.35Å; L77-E90 HydrophobicContact CB-CB 4.19Å; L77-E90 HydrophobicContact CB-CG 3.9Å; L77-E90 WeakPolarHBondContact CD1-O 3.41Å; L77-T93 HydrophobicContact CD1-CG2 3.66Å; L77-T93 HydrophobicContact CD2-CG2 4.2Å; L77-A94 HydrophobicContact CD1-CB 4.18Å; L77-L97 HydrophobicContact CD1-CD1 4.23Å; L77-L97 HydrophobicContact CD2-CD1 4.24Å
78	S	97.4	Very high	96.7	Very high	4 Å²	4	82.7 Å²	82.7	3%	0.028	43%	0.427	C	S	.	.	H	α-helix	trans	-63.9	-42.6	176.3	-169.6	0	0	0	0	111.5	A74 S75 R76 N81 K82 K83 T85	A74-S78 PolarHBondContact O-N 3.2Å; S75-S78 PolarHBondContact O-N 3.25Å; R76-S78 VanDerWaalsContact C-N 3.35Å; R76-S78 PolarHBondContact O-N 3.35Å; S78-N81 CarbonylContact O-C 3.44Å; S78-N81 PolarHBondContact O-N 3.2Å; S78-K82 PolarHBondContact O-N 3.11Å; S78-K83 PolarHBondContact O-N 3.08Å; S78-K83 PolarHBondContact OG-O 3.4Å; S78-T85 PolarHBondContact OG-O 3.12Å; S78-T85 VanDerWaalsContact OG-O 3.09Å
79	H	96.7	Very high	96.5	Very high	135 Å²	135	84.1 Å²	84.1	63%	0.625	43%	0.426	S	S	*	.	H	α-helix	trans	-61.5	-45.5	174.7	-82.1	79.4	0	0	0	112.5	S75 R76 N81 K82	S75-H79 PolarHBondContact O-N 2.95Å; S75-H79 PolarHBondContact O-ND1 2.94Å; R76-H79 PolarHBondContact O-N 3.48Å; H79-N81 PolarHBondContact O-N 3.42Å; H79-K82 PolarHBondContact O-N 3.34Å
80	Y	96.6	Very high	96.4	Very high	172 Å²	172	78.1 Å²	78.1	68%	0.675	40%	0.404	S	S	*	.	H	α-helix	trans	-61	-35.1	176.5	-67.4	-39.7	0	0	0	112.5	R76 L77 K82	R76-Y80 HydrophobicContact CB-CE2 4.31Å; R76-Y80 VanDerWaalsContact O-CD2 3.24Å; R76-Y80 WeakPolarHBondContact O-CD2 3.48Å; R76-Y80 PolarHBondContact O-N 3.19Å; L77-Y80 PolarHBondContact O-N 3.45Å; Y80-K82 PolarHBondContact O-N 3.48Å
81	N	96.1	Very high	96.3	Very high	77 Å²	77	79.5 Å²	79.5	41%	0.412	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	4.2	176	-68	-28.7	0	0	0	113.6	L77 S78 H79 K83 E90	L77-N81 WeakPolarHBondContact O-CB 3.27Å; L77-N81 PolarHBondContact O-N 3.42Å; L77-N81 VanDerWaalsContact O-N 3.08Å; L77-N81 PolarHBondContact O-ND2 3.35Å; S78-N81 CarbonylContact O-C 3.44Å; S78-N81 PolarHBondContact O-N 3.2Å; H79-N81 PolarHBondContact O-N 3.42Å; N81-K83 HydrophobicContact CB-CD 4.3Å; N81-K83 HydrophobicContact CB-CG 4.21Å; N81-K83 PolarHBondContact O-N 3.45Å; N81-E90 PolarHBondContact ND2-OE1 3.01Å
82	K	96.5	Very high	96.2	Very high	202 Å²	202	80.9 Å²	80.9	88%	0.878	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.6	-175.6	-56.9	178.2	-178	177.2	0	112.9	S78 H79 Y80	S78-K82 PolarHBondContact O-N 3.11Å; H79-K82 PolarHBondContact O-N 3.34Å; Y80-K82 PolarHBondContact O-N 3.48Å
83	K	96.2	Very high	96.1	Very high	106 Å²	106	81 Å²	81	46%	0.461	41%	0.409	S	S	.	.			trans	-103.5	145.9	176.6	-68.1	-177.6	-175.9	177.3	0	109.9	S78 N81 E90	S78-K83 PolarHBondContact O-N 3.08Å; S78-K83 PolarHBondContact OG-O 3.4Å; N81-K83 HydrophobicContact CB-CD 4.3Å; N81-K83 HydrophobicContact CB-CG 4.21Å; N81-K83 PolarHBondContact O-N 3.45Å; K83-E90 IonicContact NZ-OE1 3.85Å
84	S	95.4	Very high	96.1	Very high	124 Å²	124	79.8 Å²	79.8	87%	0.867	40%	0.404	S	S	*	.	S	Bend	trans	-90.4	-8.2	172.4	52.2	0	0	0	0	113.2
85	T	96.9	Very high	96	Very high	99 Å²	99	80.6 Å²	80.6	61%	0.607	41%	0.408	S	S	*	.	S	Bend	trans	-122.6	130.5	-175.6	-53.6	0	0	0	0	110.2	S78	S78-T85 PolarHBondContact OG-O 3.12Å; S78-T85 VanDerWaalsContact OG-O 3.09Å
86	I	96.9	Very high	96	Very high	81 Å²	81	86 Å²	86	42%	0.415	42%	0.421	S	S	.	.			trans	-80.5	119.2	170.6	-61.1	173.5	0	0	0	108	A74 E90 V91	A74-I86 HydrophobicContact CB-CG2 3.92Å; I86-E90 HydrophobicContact CG2-CB 4.1Å; I86-V91 HydrophobicContact CG2-CG2 3.85Å
87	S	93.8	Very high	95.9	Very high	47 Å²	47	85.1 Å²	85.1	33%	0.329	43%	0.426	S	S	.	.			trans	-96.9	173.4	174.6	82.3	0	0	0	0	111.7	R89 E90 V91	S87-R89 PolarHBondContact O-N 3.46Å; S87-R89 VanDerWaalsContact O-N 3.16Å; S87-R89 WeakPolarHBondContact OG-CB 3.4Å; S87-R89 PolarHBondContact OG-N 2.59Å; S87-E90 WeakPolarHBondContact CA-OE2 3.35Å; S87-E90 WeakPolarHBondContact CB-OE2 3.41Å; S87-E90 PolarHBondContact N-OE2 2.93Å; S87-E90 PolarHBondContact O-N 2.76Å; S87-E90 PolarHBondContact OG-OE2 3Å; S87-V91 PolarHBondContact O-N 3.45Å
88	S	91.3	Very high	95.9	Very high	87 Å²	87	86.8 Å²	86.8	61%	0.608	43%	0.434	S	S	*	.	H	α-helix	trans	-56.6	-28.5	173.1	54.9	0	0	0	0	112.6	V91 Q92	S88-V91 PolarHBondContact O-N 3.03Å; S88-Q92 WeakPolarHBondContact O-CB 3.43Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.44Å; S88-Q92 PolarHBondContact O-N 2.96Å
89	R	92.6	Very high	95.8	Very high	158 Å²	158	88.7 Å²	88.7	60%	0.596	44%	0.444	S	S	*	.	H	α-helix	trans	-66.1	-48.1	177.7	-171.9	176.6	-176.6	-119.4	5.1	111.7	S87 V91 Q92 T93	S87-R89 PolarHBondContact O-N 3.46Å; S87-R89 VanDerWaalsContact O-N 3.16Å; S87-R89 WeakPolarHBondContact OG-CB 3.4Å; S87-R89 PolarHBondContact OG-N 2.59Å; R89-V91 VanDerWaalsContact C-N 3.3Å; R89-V91 PolarHBondContact O-N 3.19Å; R89-Q92 PolarHBondContact O-N 2.93Å; R89-T93 WeakPolarHBondContact O-CB 3.48Å; R89-T93 PolarHBondContact O-N 3.17Å; R89-T93 PolarHBondContact O-OG1 3.38Å; R89-T93 VanDerWaalsContact O-OG1 3.13Å
90	E	95.3	Very high	95.7	Very high	3 Å²	3	86.7 Å²	86.7	1%	0.014	44%	0.443	C	S	.	.	H	α-helix	trans	-62.9	-38.9	178.1	-72.9	76.9	-155.2	0	0	111.3	A74 L77 N81 K83 I86 S87 T93 A94	A74-E90 HydrophobicContact CB-CB 4.33Å; L77-E90 HydrophobicContact CB-CB 4.19Å; L77-E90 HydrophobicContact CB-CG 3.9Å; L77-E90 WeakPolarHBondContact CD1-O 3.41Å; N81-E90 PolarHBondContact ND2-OE1 3.01Å; K83-E90 IonicContact NZ-OE1 3.85Å; I86-E90 HydrophobicContact CG2-CB 4.1Å; S87-E90 WeakPolarHBondContact CA-OE2 3.35Å; S87-E90 WeakPolarHBondContact CB-OE2 3.41Å; S87-E90 PolarHBondContact N-OE2 2.93Å; S87-E90 PolarHBondContact O-N 2.76Å; S87-E90 PolarHBondContact OG-OE2 3Å; E90-T93 PolarHBondContact O-N 3.01Å; E90-A94 VanDerWaalsContact O-CB 3.25Å; E90-A94 WeakPolarHBondContact O-CB 3.32Å; E90-A94 PolarHBondContact O-N 3.41Å
91	V	96.1	Very high	95.7	Very high	61 Å²	61	81 Å²	81	37%	0.37	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-46.4	175.4	179.7	0	0	0	0	111.4	I70 A74 I86 S87 S88 R89 T93 A94 V95	I70-V91 HydrophobicContact CG2-CG1 4.19Å; A74-V91 HydrophobicContact CB-CG2 4.31Å; I86-V91 HydrophobicContact CG2-CG2 3.85Å; S87-V91 PolarHBondContact O-N 3.45Å; S88-V91 PolarHBondContact O-N 3.03Å; R89-V91 VanDerWaalsContact C-N 3.3Å; R89-V91 PolarHBondContact O-N 3.19Å; V91-T93 PolarHBondContact O-N 3.42Å; V91-A94 WeakPolarHBondContact O-CB 3.27Å; V91-A94 PolarHBondContact O-N 3.37Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 2.98Å
92	Q	94.8	Very high	95.7	Very high	69 Å²	69	82.3 Å²	82.3	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-63	-42.1	177.8	-75.1	176	4.6	0	0	112.2	S88 R89 V95 R96	S88-Q92 WeakPolarHBondContact O-CB 3.43Å; S88-Q92 VanDerWaalsContact O-CG 3.25Å; S88-Q92 WeakPolarHBondContact O-CG 3.44Å; S88-Q92 PolarHBondContact O-N 2.96Å; R89-Q92 PolarHBondContact O-N 2.93Å; Q92-V95 PolarHBondContact O-N 3.16Å; Q92-R96 WeakPolarHBondContact O-CG 3.38Å; Q92-R96 PolarHBondContact O-N 3.42Å; Q92-R96 VanDerWaalsContact O-N 3.16Å
93	T	96.3	Very high	95.6	Very high	53 Å²	53	77.8 Å²	77.8	33%	0.325	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-42.6	176.2	-61.6	0	0	0	0	111	L77 R89 E90 V91 V95 R96 L97	L77-T93 HydrophobicContact CD1-CG2 3.66Å; L77-T93 HydrophobicContact CD2-CG2 4.2Å; R89-T93 WeakPolarHBondContact O-CB 3.48Å; R89-T93 PolarHBondContact O-N 3.17Å; R89-T93 PolarHBondContact O-OG1 3.38Å; R89-T93 VanDerWaalsContact O-OG1 3.13Å; E90-T93 PolarHBondContact O-N 3.01Å; V91-T93 PolarHBondContact O-N 3.42Å; T93-V95 VanDerWaalsContact C-N 3.31Å; T93-V95 PolarHBondContact O-N 3.14Å; T93-R96 WeakPolarHBondContact O-CB 3.43Å; T93-R96 PolarHBondContact O-N 2.91Å; T93-R96 VanDerWaalsContact O-N 3.08Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 HydrophobicContact CG2-CG 4.49Å; T93-L97 WeakPolarHBondContact O-CG 3.38Å; T93-L97 PolarHBondContact O-N 3.48Å
94	A	97.4	Very high	95.6	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-56.7	-43.7	174.6	0	0	0	0	0	112.4	I70 E73 A74 L77 E90 V91 R96 L97 L98	I70-A94 HydrophobicContact CG2-CB 4.17Å; E73-A94 HydrophobicContact CB-CB 3.76Å; E73-A94 HydrophobicContact CG-CB 3.82Å; A74-A94 HydrophobicContact CB-CB 4Å; L77-A94 HydrophobicContact CD1-CB 4.18Å; E90-A94 VanDerWaalsContact O-CB 3.25Å; E90-A94 WeakPolarHBondContact O-CB 3.32Å; E90-A94 PolarHBondContact O-N 3.41Å; V91-A94 WeakPolarHBondContact O-CB 3.27Å; V91-A94 PolarHBondContact O-N 3.37Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3Å; A94-L97 PolarHBondContact O-N 3.46Å; A94-L98 WeakPolarHBondContact O-CG 3.35Å; A94-L98 PolarHBondContact O-N 3.08Å
95	V	97.4	Very high	95.6	Very high	19 Å²	19	73.5 Å²	73.5	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-59.7	-42.2	175.1	171	0	0	0	0	111.5	I70 V91 Q92 T93 L97 L98 L99 A107 V108	I70-V95 HydrophobicContact CD1-CG2 3.95Å; I70-V95 HydrophobicContact CG1-CG2 4.26Å; I70-V95 HydrophobicContact CG2-CG2 4.17Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 2.98Å; Q92-V95 PolarHBondContact O-N 3.16Å; T93-V95 VanDerWaalsContact C-N 3.31Å; T93-V95 PolarHBondContact O-N 3.14Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.49Å; V95-L98 PolarHBondContact O-N 2.99Å; V95-L99 HydrophobicContact CG1-CD1 3.9Å; V95-L99 HydrophobicContact CG1-CG 4.47Å; V95-L99 WeakPolarHBondContact O-CB 3.5Å; V95-L99 PolarHBondContact O-N 3.39Å; V95-A107 HydrophobicContact CG1-CB 3.63Å; V95-V108 HydrophobicContact CB-CG2 4.5Å; V95-V108 HydrophobicContact CG1-CG2 4.06Å
96	R	96	Very high	95.6	Very high	157 Å²	157	74.5 Å²	74.5	59%	0.592	39%	0.391	S	S	*	.	H	α-helix	trans	-67.7	-29.5	177.7	-68.3	176.8	-176.4	-123.6	4.2	113.4	Q92 T93 A94 V108	Q92-R96 WeakPolarHBondContact O-CG 3.38Å; Q92-R96 PolarHBondContact O-N 3.42Å; Q92-R96 VanDerWaalsContact O-N 3.16Å; T93-R96 WeakPolarHBondContact O-CB 3.43Å; T93-R96 PolarHBondContact O-N 2.91Å; T93-R96 VanDerWaalsContact O-N 3.08Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3Å; R96-V108 HydrophobicContact CG-CG2 3.75Å
97	L	96.9	Very high	95.5	Very high	105 Å²	105	72.3 Å²	72.3	55%	0.55	39%	0.385	S	S	.	.	H	α-helix	trans	-76.9	-34.9	177	-69.2	173.6	0	0	0	112.1	E73 L77 T93 A94 V95	E73-L97 HydrophobicContact CG-CB 4.3Å; E73-L97 HydrophobicContact CG-CD1 3.88Å; L77-L97 HydrophobicContact CD1-CD1 4.23Å; L77-L97 HydrophobicContact CD2-CD1 4.24Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 HydrophobicContact CG2-CG 4.49Å; T93-L97 WeakPolarHBondContact O-CG 3.38Å; T93-L97 PolarHBondContact O-N 3.48Å; A94-L97 PolarHBondContact O-N 3.46Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.49Å
98	L	96.8	Very high	95.5	Very high	63 Å²	63	70.9 Å²	70.9	33%	0.33	37%	0.374	S	S	.	.	H	α-helix	trans	-87.2	-30.8	-175.5	-70	168.8	0	0	0	114.1	R69 I70 E73 A94 V95	R69-L98 VanDerWaalsContact C-CD1 3.43Å; R69-L98 HydrophobicContact CB-CD1 3.87Å; R69-L98 HydrophobicContact CB-CD2 4.2Å; R69-L98 WeakPolarHBondContact O-CD1 3.33Å; I70-L98 VanDerWaalsContact CA-CD1 3.44Å; I70-L98 HydrophobicContact CB-CD1 4.12Å; I70-L98 HydrophobicContact CG1-CD1 3.56Å; E73-L98 HydrophobicContact CB-CD1 4.2Å; A94-L98 WeakPolarHBondContact O-CG 3.35Å; A94-L98 PolarHBondContact O-N 3.08Å; V95-L98 PolarHBondContact O-N 2.99Å
99	L	95.6	Very high	95.7	Very high	44 Å²	44	69.3 Å²	69.3	23%	0.23	36%	0.363	C	S	.	.	S	Bend	trans	-103.9	131.8	-176.7	-59.6	-176.5	0	0	0	111.4	V95 L103 A104 A107	V95-L99 HydrophobicContact CG1-CD1 3.9Å; V95-L99 HydrophobicContact CG1-CG 4.47Å; V95-L99 WeakPolarHBondContact O-CB 3.5Å; V95-L99 PolarHBondContact O-N 3.39Å; L99-L103 HydrophobicContact CB-CB 4.1Å; L99-A104 HydrophobicContact CB-CB 4.12Å; L99-A104 VanDerWaalsContact O-CB 3.29Å; L99-A104 WeakPolarHBondContact O-CB 3.29Å; L99-A107 HydrophobicContact CD1-CB 3.6Å
100	P	95.9	Very high	95.7	Very high	93 Å²	93	66.8 Å²	66.8	60%	0.604	36%	0.358	S	S	*	.			trans	-81.6	147.1	179.8	31.4	-34.5	0	0	0	112.8	E102 L103	P100-E102 PolarHBondContact O-N 3.36Å; P100-L103 HydrophobicContact CG-CD1 4.25Å; P100-L103 WeakPolarHBondContact O-CB 3.37Å; P100-L103 PolarHBondContact O-N 2.76Å; P100-L103 VanDerWaalsContact O-N 3.1Å
101	G	95.3	Very high	95.6	Very high	54 Å²	54	68.3 Å²	68.3	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	51.6	-125.7	163.1	0	0	0	0	0	115.3	L103 A104 K105	G101-L103 PolarHBondContact O-N 2.79Å; G101-A104 PolarHBondContact O-N 3.09Å; G101-K105 PolarHBondContact O-N 3Å
102	E	95.7	Very high	95.4	Very high	104 Å²	104	68.4 Å²	68.4	49%	0.486	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-28.8	-178.5	-66.8	-55.4	126.6	0	0	113	P100 A104 K105 H106	P100-E102 PolarHBondContact O-N 3.36Å; E102-A104 PolarHBondContact O-N 3.38Å; E102-K105 PolarHBondContact O-N 3.44Å; E102-K105 WeakPolarHBondContact OE1-CE 3.44Å; E102-K105 IonicContact OE1-NZ 2.72Å; E102-K105 PolarHBondContact OE1-NZ 3.01Å; E102-H106 WeakPolarHBondContact O-CB 3.49Å; E102-H106 PolarHBondContact O-CD2 2.87Å; E102-H106 VanDerWaalsContact O-CD2 3.29Å; E102-H106 PolarHBondContact O-N 3.03Å; E102-H106 IonicContact OE2-NE2 3.95Å
103	L	95.6	Very high	95.3	Very high	106 Å²	106	70.7 Å²	70.7	56%	0.555	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-41.9	177.4	-66.3	173.8	0	0	0	111.5	L99 P100 G101 A107	L99-L103 HydrophobicContact CB-CB 4.1Å; P100-L103 HydrophobicContact CG-CD1 4.25Å; P100-L103 WeakPolarHBondContact O-CB 3.37Å; P100-L103 PolarHBondContact O-N 2.76Å; P100-L103 VanDerWaalsContact O-N 3.1Å; G101-L103 PolarHBondContact O-N 2.79Å; L103-A107 WeakPolarHBondContact O-CB 3.48Å; L103-A107 PolarHBondContact O-N 2.9Å
104	A	95.7	Very high	95	Very high	11 Å²	11	70.9 Å²	70.9	9%	0.091	39%	0.391	C	S	.	.	H	α-helix	trans	-65	-42.7	175.3	0	0	0	0	0	112	L99 G101 E102 H106 A107 V108	L99-A104 HydrophobicContact CB-CB 4.12Å; L99-A104 VanDerWaalsContact O-CB 3.29Å; L99-A104 WeakPolarHBondContact O-CB 3.29Å; G101-A104 PolarHBondContact O-N 3.09Å; E102-A104 PolarHBondContact O-N 3.38Å; A104-H106 PolarHBondContact O-N 3.39Å; A104-A107 PolarHBondContact O-N 3.12Å; A104-V108 WeakPolarHBondContact O-CB 3.21Å; A104-V108 VanDerWaalsContact O-CG2 3.27Å; A104-V108 WeakPolarHBondContact O-CG2 3.35Å; A104-V108 PolarHBondContact O-N 3.27Å
105	K	95.5	Very high	94.6	Very high	130 Å²	130	75 Å²	75	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-60.4	-47.5	178.3	-66.1	-179.3	-173	168.5	0	111	G101 E102 S109	G101-K105 PolarHBondContact O-N 3Å; E102-K105 PolarHBondContact O-N 3.44Å; E102-K105 WeakPolarHBondContact OE1-CE 3.44Å; E102-K105 IonicContact OE1-NZ 2.72Å; E102-K105 PolarHBondContact OE1-NZ 3.01Å; K105-S109 WeakPolarHBondContact O-CB 3.45Å; K105-S109 PolarHBondContact O-N 3.22Å
106	H	95.9	Very high	94.3	Very high	120 Å²	120	78.9 Å²	78.9	56%	0.556	44%	0.44	S	S	*	.	H	α-helix	trans	-64.6	-49	178.8	-73.5	-156.4	0	0	0	111.1	E102 A104 V108 S109 E110	E102-H106 WeakPolarHBondContact O-CB 3.49Å; E102-H106 PolarHBondContact O-CD2 2.87Å; E102-H106 VanDerWaalsContact O-CD2 3.29Å; E102-H106 PolarHBondContact O-N 3.03Å; E102-H106 IonicContact OE2-NE2 3.95Å; A104-H106 PolarHBondContact O-N 3.39Å; H106-V108 PolarHBondContact O-N 3.02Å; H106-S109 PolarHBondContact O-N 3.21Å; H106-E110 WeakPolarHBondContact O-CB 3.47Å; H106-E110 WeakPolarHBondContact O-CG 3.5Å; H106-E110 PolarHBondContact O-N 3.49Å
107	A	95.3	Very high	94.1	Very high	35 Å²	35	79 Å²	79	29%	0.289	45%	0.445	S	S	.	.	H	α-helix	trans	-61.1	-42.5	-178.3	0	0	0	0	0	112.8	V95 L99 L103 A104 G111	V95-A107 HydrophobicContact CG1-CB 3.63Å; L99-A107 HydrophobicContact CD1-CB 3.6Å; L103-A107 WeakPolarHBondContact O-CB 3.48Å; L103-A107 PolarHBondContact O-N 2.9Å; A104-A107 PolarHBondContact O-N 3.12Å; A107-G111 PolarHBondContact O-N 2.96Å
108	V	94.6	Very high	93.8	Very high	16 Å²	16	81.5 Å²	81.5	10%	0.097	45%	0.448	C	S	.	.	H	α-helix	trans	-70.1	-40.8	177.5	175.9	0	0	0	0	111.4	V95 R96 A104 H106 G111 T112	V95-V108 HydrophobicContact CB-CG2 4.5Å; V95-V108 HydrophobicContact CG1-CG2 4.06Å; R96-V108 HydrophobicContact CG-CG2 3.75Å; A104-V108 WeakPolarHBondContact O-CB 3.21Å; A104-V108 VanDerWaalsContact O-CG2 3.27Å; A104-V108 WeakPolarHBondContact O-CG2 3.35Å; A104-V108 PolarHBondContact O-N 3.27Å; H106-V108 PolarHBondContact O-N 3.02Å; V108-G111 PolarHBondContact O-N 3.44Å; V108-T112 WeakPolarHBondContact O-CB 3.43Å; V108-T112 PolarHBondContact O-N 3.17Å; V108-T112 PolarHBondContact O-OG1 3.09Å
109	S	94.9	Very high	93.6	Very high	54 Å²	54	82.4 Å²	82.4	38%	0.378	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-51.3	177.4	-176.3	0	0	0	0	111.4	K105 H106 G111 T112 K113	K105-S109 WeakPolarHBondContact O-CB 3.45Å; K105-S109 PolarHBondContact O-N 3.22Å; H106-S109 PolarHBondContact O-N 3.21Å; S109-G111 PolarHBondContact O-N 3.27Å; S109-T112 PolarHBondContact O-N 2.65Å; S109-K113 WeakPolarHBondContact O-CG 3.39Å; S109-K113 PolarHBondContact O-N 3.38Å
110	E	93.9	Very high	93.4	Very high	106 Å²	106	83.3 Å²	83.3	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-40.3	177.7	-67.8	-53.3	122.8	0	0	111.9	H106 T112 K113 A114	H106-E110 WeakPolarHBondContact O-CB 3.47Å; H106-E110 WeakPolarHBondContact O-CG 3.5Å; H106-E110 PolarHBondContact O-N 3.49Å; E110-T112 VanDerWaalsContact C-N 3.33Å; E110-T112 PolarHBondContact O-N 2.97Å; E110-K113 PolarHBondContact O-N 3.12Å; E110-K113 IonicContact OE1-NZ 2.75Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; E110-A114 WeakPolarHBondContact O-CB 3.18Å; E110-A114 PolarHBondContact O-N 3.02Å
111	G	92.6	Very high	93.1	Very high	34 Å²	34	83.2 Å²	83.2	35%	0.351	48%	0.481	S	S	.	.	H	α-helix	trans	-59.9	-42.3	174.4	0	0	0	0	0	112.6	A107 V108 S109 A114 V115	A107-G111 PolarHBondContact O-N 2.96Å; V108-G111 PolarHBondContact O-N 3.44Å; S109-G111 PolarHBondContact O-N 3.27Å; G111-A114 PolarHBondContact O-N 2.77Å; G111-V115 WeakPolarHBondContact O-CG2 3.33Å; G111-V115 PolarHBondContact O-N 2.9Å
112	T	92.1	Very high	91.4	Very high	63 Å²	63	91.3 Å²	91.3	39%	0.387	50%	0.501	S	S	.	.	H	α-helix	trans	-67	-44.4	178.5	-54.2	0	0	0	0	111.3	V108 S109 E110 A114 V115 T116	V108-T112 WeakPolarHBondContact O-CB 3.43Å; V108-T112 PolarHBondContact O-N 3.17Å; V108-T112 PolarHBondContact O-OG1 3.09Å; S109-T112 PolarHBondContact O-N 2.65Å; E110-T112 VanDerWaalsContact C-N 3.33Å; E110-T112 PolarHBondContact O-N 2.97Å; T112-A114 VanDerWaalsContact C-N 3.29Å; T112-A114 PolarHBondContact O-N 3.38Å; T112-V115 PolarHBondContact O-N 2.85Å; T112-T116 PolarHBondContact O-N 3.5Å; T112-T116 VanDerWaalsContact O-N 3.14Å; T112-T116 PolarHBondContact O-OG1 3.27Å
113	K	92	Very high	91.2	Very high	117 Å²	117	90.7 Å²	90.7	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-58.7	-42.2	173.8	-68.3	173.5	-168.7	169.6	0	111.6	S109 E110 T116 K117	S109-K113 WeakPolarHBondContact O-CG 3.39Å; S109-K113 PolarHBondContact O-N 3.38Å; E110-K113 PolarHBondContact O-N 3.12Å; E110-K113 IonicContact OE1-NZ 2.75Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; K113-T116 PolarHBondContact O-N 2.9Å; K113-K117 PolarHBondContact O-N 3.36Å
114	A	90.2	Very high	90.9	Very high	57 Å²	57	89.9 Å²	89.9	47%	0.471	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-40.9	179.4	0	0	0	0	0	112.2	E110 G111 T112 K117 Y118	E110-A114 WeakPolarHBondContact O-CB 3.18Å; E110-A114 PolarHBondContact O-N 3.02Å; G111-A114 PolarHBondContact O-N 2.77Å; T112-A114 VanDerWaalsContact C-N 3.29Å; T112-A114 PolarHBondContact O-N 3.38Å; A114-K117 PolarHBondContact O-N 3.47Å; A114-Y118 WeakPolarHBondContact O-CB 3.36Å; A114-Y118 PolarHBondContact O-N 2.99Å
115	V	89.2	Confident	90.7	Very high	87 Å²	87	94.3 Å²	94.3	53%	0.527	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-46.7	175.2	172	0	0	0	0	110.9	G111 T112 K117 Y118 S119	G111-V115 WeakPolarHBondContact O-CG2 3.33Å; G111-V115 PolarHBondContact O-N 2.9Å; T112-V115 PolarHBondContact O-N 2.85Å; V115-K117 PolarHBondContact O-N 3.26Å; V115-Y118 PolarHBondContact O-N 3.24Å; V115-S119 PolarHBondContact O-N 3.1Å; V115-S119 PolarHBondContact O-OG 3.36Å; V115-S119 VanDerWaalsContact O-OG 3.13Å
116	T	91.2	Very high	90.4	Very high	101 Å²	101	92.2 Å²	92.2	62%	0.62	52%	0.519	S	S	*	.	H	α-helix	trans	-59.4	-46.5	177.1	-57.2	0	0	0	0	111.7	T112 K113 Y118 S119 G120	T112-T116 PolarHBondContact O-N 3.5Å; T112-T116 VanDerWaalsContact O-N 3.14Å; T112-T116 PolarHBondContact O-OG1 3.27Å; K113-T116 PolarHBondContact O-N 2.9Å; T116-Y118 VanDerWaalsContact C-N 3.35Å; T116-Y118 PolarHBondContact O-N 3.41Å; T116-S119 PolarHBondContact O-N 3.31Å; T116-G120 PolarHBondContact O-N 3.21Å; T116-G120 VanDerWaalsContact O-N 3.08Å
117	K	92.4	Very high	90	Very high	159 Å²	159	90.4 Å²	90.4	69%	0.691	52%	0.517	S	S	*	.	H	α-helix	trans	-61.8	-42.6	177.7	-176.3	177.5	-178.6	174.9	0	112	K113 A114 V115 G120 S121	K113-K117 PolarHBondContact O-N 3.36Å; A114-K117 PolarHBondContact O-N 3.47Å; V115-K117 PolarHBondContact O-N 3.26Å; K117-G120 PolarHBondContact O-N 3.16Å; K117-S121 WeakPolarHBondContact O-CB 3.49Å; K117-S121 PolarHBondContact O-N 3.29Å; K117-S121 PolarHBondContact O-OG 2.72Å
118	Y	90.3	Very high	89.7	Confident	157 Å²	157	94.1 Å²	94.1	62%	0.616	53%	0.532	S	S	*	.	H	α-helix	trans	-64.4	-43.7	179.6	-178.7	-102.7	0	0	0	111.7	A114 V115 T116 G120 S121	A114-Y118 WeakPolarHBondContact O-CB 3.36Å; A114-Y118 PolarHBondContact O-N 2.99Å; V115-Y118 PolarHBondContact O-N 3.24Å; T116-Y118 VanDerWaalsContact C-N 3.35Å; T116-Y118 PolarHBondContact O-N 3.41Å; Y118-G120 VanDerWaalsContact C-N 3.3Å; Y118-G120 PolarHBondContact O-N 2.75Å; Y118-S121 PolarHBondContact O-N 3.4Å
119	S	91.3	Very high	89.4	Confident	82 Å²	82	99.7 Å²	99.7	57%	0.573	56%	0.563	S	S	*	*	H	α-helix	trans	-63.5	-34.1	176.6	-63	0	0	0	0	112.9	V115 T116	V115-S119 PolarHBondContact O-N 3.1Å; V115-S119 PolarHBondContact O-OG 3.36Å; V115-S119 VanDerWaalsContact O-OG 3.13Å; T116-S119 PolarHBondContact O-N 3.31Å
120	G	92.5	Very high	88.9	Confident	64 Å²	64	103.2 Å²	103.2	66%	0.66	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-5.3	178	0	0	0	0	0	115.6	T116 K117 Y118	T116-G120 PolarHBondContact O-N 3.21Å; T116-G120 VanDerWaalsContact O-N 3.08Å; K117-G120 PolarHBondContact O-N 3.16Å; Y118-G120 VanDerWaalsContact C-N 3.3Å; Y118-G120 PolarHBondContact O-N 2.75Å
121	S	88.7	Confident	88.5	Confident	91 Å²	91	103 Å²	103	64%	0.636	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	5.5	-177.6	-56.7	0	0	0	0	113.8	K117 Y118	K117-S121 WeakPolarHBondContact O-CB 3.49Å; K117-S121 PolarHBondContact O-N 3.29Å; K117-S121 PolarHBondContact O-OG 2.72Å; Y118-S121 PolarHBondContact O-N 3.4Å
122	K	59.8	Low	88.1	Confident	224 Å²	224	109.3 Å²	109.3	97%	0.974	61%	0.606	S	S	*	*			trans	-98	0	169.6	-77.7	-170.1	178.5	-179.1	0	109.9

Retrieved 122 of 122 residues in 22 ms (Link to these results)

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