G4M0T7_SCHMA Loading...

DNAj homolog subfamily C member, putative

AlphaFold DB , UniProt , Accession G4M0T7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 243 aa.

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(Predicted Aligned Error values between residue pairs)

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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	53.8	Low	70.9	Confident	240 Å²	240	123 Å²	123	100%	1.182	69%	0.689	S	S	*	*				0	103.7	0	-69.8	-177.5	174	0	0	107.1	T3	M1-T3 PolarHBondContact O-N 3.12Å
2	S	61.7	Low	70.9	Confident	130 Å²	130	117.6 Å²	117.6	91%	0.909	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-71.4	119.1	174.3	-74.3	0	0	0	0	108.9
3	T	72.4	Confident	71.3	Confident	133 Å²	133	114.6 Å²	114.6	82%	0.816	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-70.9	127	174.6	46.3	0	0	0	0	109.2	M1	M1-T3 PolarHBondContact O-N 3.12Å
4	N	70.9	Confident	71.8	Confident	154 Å²	154	115.1 Å²	115.1	82%	0.824	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-64.9	136	173.1	-94.1	-26.2	0	0	0	109.9
5	P	74.7	Confident	71.7	Confident	61 Å²	61	115.3 Å²	115.3	40%	0.396	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-61.4	138.9	-180	24.9	-32.8	0	0	0	110.5	E9 L10	P5-E9 WeakPolarHBondContact CA-OE2 3.32Å; P5-E9 HydrophobicContact CB-CB 4.03Å; P5-L10 HydrophobicContact CB-CG 4.25Å; P5-L10 HydrophobicContact CG-CD2 3.85Å; P5-L10 HydrophobicContact CG-CG 3.99Å
6	G	77.2	Confident	71.8	Confident	29 Å²	29	116.3 Å²	116.3	30%	0.299	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-66.4	161.8	179.4	0	0	0	0	0	112	N8 E9 L10	G6-N8 PolarHBondContact O-N 2.93Å; G6-N8 VanDerWaalsContact O-N 3.1Å; G6-E9 PolarHBondContact N-OE2 2.92Å; G6-E9 PolarHBondContact O-N 3.47Å; G6-L10 PolarHBondContact O-N 2.98Å
7	P	74.8	Confident	71.3	Confident	111 Å²	111	116.4 Å²	116.4	72%	0.721	63%	0.625	S	S	*	*	H	α-helix	trans	-53.7	-34.7	179.1	-20.4	27	0	0	0	113.3	F11	P7-F11 WeakPolarHBondContact O-CB 3.46Å; P7-F11 PolarHBondContact O-N 3.44Å
8	N	72	Confident	71.1	Confident	141 Å²	141	112.7 Å²	112.7	75%	0.754	61%	0.607	S	S	*	*	H	α-helix	trans	-71.1	-33.7	176.7	-80.8	-10.5	0	0	0	113.3	G6 S12	G6-N8 PolarHBondContact O-N 2.93Å; G6-N8 VanDerWaalsContact O-N 3.1Å; N8-S12 WeakPolarHBondContact O-CB 3.25Å; N8-S12 PolarHBondContact O-N 3.08Å
9	E	77.2	Confident	70.1	Confident	118 Å²	118	112.5 Å²	112.5	55%	0.551	60%	0.6	S	S	*	*	H	α-helix	trans	-75.6	-37.6	176.4	-68.8	178.6	159.2	0	0	111.4	P5 G6 S12 T13	P5-E9 WeakPolarHBondContact CA-OE2 3.32Å; P5-E9 HydrophobicContact CB-CB 4.03Å; G6-E9 PolarHBondContact N-OE2 2.92Å; G6-E9 PolarHBondContact O-N 3.47Å; E9-S12 PolarHBondContact O-N 3.28Å; E9-T13 WeakPolarHBondContact O-CB 3.47Å; E9-T13 PolarHBondContact O-N 3.5Å; E9-T13 PolarHBondContact O-OG1 3.18Å
10	L	71.7	Confident	69.8	Low	102 Å²	102	108.7 Å²	108.7	53%	0.534	59%	0.585	S	S	.	*	H	α-helix	trans	-60.4	-45.1	172	-75.6	166.3	0	0	0	111.4	P5 G6 T13 F14	P5-L10 HydrophobicContact CB-CG 4.25Å; P5-L10 HydrophobicContact CG-CD2 3.85Å; P5-L10 HydrophobicContact CG-CG 3.99Å; G6-L10 PolarHBondContact O-N 2.98Å; L10-T13 PolarHBondContact O-N 3.37Å; L10-F14 WeakPolarHBondContact O-CB 3.49Å; L10-F14 PolarHBondContact O-N 3.4Å
11	F	74.2	Confident	68.9	Low	134 Å²	134	107 Å²	107	59%	0.588	58%	0.575	S	S	*	*	H	α-helix	trans	-66.1	-41.3	175.7	-177.4	-103.1	0	0	0	112.6	P7 T13 F14 Y15	P7-F11 WeakPolarHBondContact O-CB 3.46Å; P7-F11 PolarHBondContact O-N 3.44Å; F11-T13 VanDerWaalsContact C-N 3.32Å; F11-T13 PolarHBondContact O-N 3.23Å; F11-F14 PolarHBondContact O-N 2.86Å; F11-Y15 WeakPolarHBondContact O-CB 3.33Å; F11-Y15 PolarHBondContact O-N 3.45Å
12	S	70	Confident	68.8	Low	58 Å²	58	102 Å²	102	41%	0.406	55%	0.548	S	S	.	.	H	α-helix	trans	-59.9	-42	176.2	-172.9	0	0	0	0	112	N8 E9 Q16	N8-S12 WeakPolarHBondContact O-CB 3.25Å; N8-S12 PolarHBondContact O-N 3.08Å; E9-S12 PolarHBondContact O-N 3.28Å; S12-Q16 WeakPolarHBondContact O-CG 3.38Å; S12-Q16 PolarHBondContact O-N 2.92Å; S12-Q16 VanDerWaalsContact O-N 3.16Å
13	T	76.3	Confident	68.3	Low	79 Å²	79	104.9 Å²	104.9	49%	0.485	55%	0.545	S	S	.	.	H	α-helix	trans	-68.8	-46.3	178.1	-51.7	0	0	0	0	111.8	E9 L10 F11 Y15 Q16 E17	E9-T13 WeakPolarHBondContact O-CB 3.47Å; E9-T13 PolarHBondContact O-N 3.5Å; E9-T13 PolarHBondContact O-OG1 3.18Å; L10-T13 PolarHBondContact O-N 3.37Å; F11-T13 VanDerWaalsContact C-N 3.32Å; F11-T13 PolarHBondContact O-N 3.23Å; T13-Y15 VanDerWaalsContact C-N 3.33Å; T13-Y15 PolarHBondContact O-N 2.6Å; T13-Q16 PolarHBondContact O-N 3.43Å; T13-E17 PolarHBondContact O-N 3.39Å
14	F	78.1	Confident	67.2	Low	121 Å²	121	106.6 Å²	106.6	53%	0.531	54%	0.536	S	S	.	.	H	α-helix	trans	-56.6	-45.2	174.7	168.9	-102.8	0	0	0	112.1	L10 F11 Q16 E17 V18	L10-F14 WeakPolarHBondContact O-CB 3.49Å; L10-F14 PolarHBondContact O-N 3.4Å; F11-F14 PolarHBondContact O-N 2.86Å; F14-Q16 VanDerWaalsContact C-N 3.31Å; F14-Q16 PolarHBondContact O-N 3.34Å; F14-E17 PolarHBondContact O-N 2.95Å; F14-V18 HydrophobicContact CD2-CG2 4.38Å; F14-V18 HydrophobicContact CE1-CG2 4.13Å; F14-V18 HydrophobicContact CE2-CG2 3.9Å; F14-V18 HydrophobicContact CZ-CG2 3.77Å; F14-V18 WeakPolarHBondContact O-CG2 3.32Å; F14-V18 PolarHBondContact O-N 3.21Å
15	Y	71.2	Confident	66	Low	119 Å²	119	104.7 Å²	104.7	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-66.1	-32	179.7	-170.3	-113	0	0	0	112.7	F11 T13 K19	F11-Y15 WeakPolarHBondContact O-CB 3.33Å; F11-Y15 PolarHBondContact O-N 3.45Å; T13-Y15 VanDerWaalsContact C-N 3.33Å; T13-Y15 PolarHBondContact O-N 2.6Å; Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 VanDerWaalsContact CE1-CE 3.41Å; Y15-K19 VanDerWaalsContact CZ-CE 3.46Å; Y15-K19 PolarHBondContact O-N 3.18Å; Y15-K19 VanDerWaalsContact O-N 3.13Å; Y15-K19 VanDerWaalsContact OH-CE 3.27Å; Y15-K19 WeakPolarHBondContact OH-CE 3.25Å; Y15-K19 PolarHBondContact OH-NZ 3.19Å
16	Q	73.1	Confident	64.9	Low	131 Å²	131	104.7 Å²	104.7	61%	0.612	53%	0.527	S	S	*	.	H	α-helix	trans	-72.6	-36.5	172.2	-70.9	-178.4	15.3	0	0	112.7	S12 T13 F14 K19 A20	S12-Q16 WeakPolarHBondContact O-CG 3.38Å; S12-Q16 PolarHBondContact O-N 2.92Å; S12-Q16 VanDerWaalsContact O-N 3.16Å; T13-Q16 PolarHBondContact O-N 3.43Å; F14-Q16 VanDerWaalsContact C-N 3.31Å; F14-Q16 PolarHBondContact O-N 3.34Å; Q16-K19 PolarHBondContact O-N 3.13Å; Q16-A20 WeakPolarHBondContact O-CB 3.37Å; Q16-A20 PolarHBondContact O-N 2.9Å
17	E	62.2	Low	64.3	Low	117 Å²	117	107.9 Å²	107.9	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-64.3	-42.6	173	-80	-178.1	158.7	0	0	112.1	T13 F14 A20 I21	T13-E17 PolarHBondContact O-N 3.39Å; F14-E17 PolarHBondContact O-N 2.95Å; E17-A20 PolarHBondContact O-N 3.26Å; E17-I21 WeakPolarHBondContact O-CB 3.36Å; E17-I21 WeakPolarHBondContact O-CD1 3.36Å; E17-I21 WeakPolarHBondContact O-CG1 3.35Å; E17-I21 PolarHBondContact O-N 3.47Å
18	V	69.1	Low	64.5	Low	51 Å²	51	105.1 Å²	105.1	31%	0.309	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-41.9	174.4	174.9	0	0	0	0	111.6	F14 A20 I21 E22	F14-V18 HydrophobicContact CD2-CG2 4.38Å; F14-V18 HydrophobicContact CE1-CG2 4.13Å; F14-V18 HydrophobicContact CE2-CG2 3.9Å; F14-V18 HydrophobicContact CZ-CG2 3.77Å; F14-V18 WeakPolarHBondContact O-CG2 3.32Å; F14-V18 PolarHBondContact O-N 3.21Å; V18-A20 VanDerWaalsContact C-N 3.3Å; V18-A20 PolarHBondContact O-N 2.92Å; V18-I21 CarbonylContact O-C 3.5Å; V18-I21 WeakPolarHBondContact O-CA 3.12Å; V18-I21 WeakPolarHBondContact O-CB 3.44Å; V18-I21 PolarHBondContact O-N 3.25Å; V18-I21 VanDerWaalsContact O-N 3.12Å; V18-E22 PolarHBondContact O-N 3.06Å
19	K	51.4	Low	65.4	Low	109 Å²	109	101.6 Å²	101.6	47%	0.474	50%	0.503	S	S	.	.	H	α-helix	trans	-64.7	-32	174.7	-81.9	-172.4	173.7	178.4	0	113.2	Y15 Q16 K23	Y15-K19 HydrophobicContact CE1-CD 4.07Å; Y15-K19 VanDerWaalsContact CE1-CE 3.41Å; Y15-K19 VanDerWaalsContact CZ-CE 3.46Å; Y15-K19 PolarHBondContact O-N 3.18Å; Y15-K19 VanDerWaalsContact O-N 3.13Å; Y15-K19 VanDerWaalsContact OH-CE 3.27Å; Y15-K19 WeakPolarHBondContact OH-CE 3.25Å; Y15-K19 PolarHBondContact OH-NZ 3.19Å; Q16-K19 PolarHBondContact O-N 3.13Å; K19-K23 VanDerWaalsContact O-CB 3.27Å; K19-K23 WeakPolarHBondContact O-CB 3.44Å; K19-K23 PolarHBondContact O-N 2.83Å
20	A	64.7	Low	66	Low	35 Å²	35	98.2 Å²	98.2	29%	0.289	49%	0.492	S	S	.	.	H	α-helix	trans	-77.8	-26.3	172.8	0	0	0	0	0	112.5	Q16 E17 V18 R24	Q16-A20 WeakPolarHBondContact O-CB 3.37Å; Q16-A20 PolarHBondContact O-N 2.9Å; E17-A20 PolarHBondContact O-N 3.26Å; V18-A20 VanDerWaalsContact C-N 3.3Å; V18-A20 PolarHBondContact O-N 2.92Å; A20-R24 VanDerWaalsContact O-CB 3.26Å; A20-R24 WeakPolarHBondContact O-CB 3.41Å; A20-R24 VanDerWaalsContact O-CG 3.28Å; A20-R24 WeakPolarHBondContact O-CG 3.48Å; A20-R24 PolarHBondContact O-N 3.05Å; A20-R24 VanDerWaalsContact O-N 3.07Å; A20-R24 PolarHBondContact O-NE 3.04Å
21	I	49.9	Very low	67	Low	73 Å²	73	99.3 Å²	99.3	37%	0.374	49%	0.492	S	S	.	.	H	α-helix	trans	-67.6	-48.1	168.7	-68.8	160.3	0	0	0	109.6	E17 V18 K23 R24 D25	E17-I21 WeakPolarHBondContact O-CB 3.36Å; E17-I21 WeakPolarHBondContact O-CD1 3.36Å; E17-I21 WeakPolarHBondContact O-CG1 3.35Å; E17-I21 PolarHBondContact O-N 3.47Å; V18-I21 CarbonylContact O-C 3.5Å; V18-I21 WeakPolarHBondContact O-CA 3.12Å; V18-I21 WeakPolarHBondContact O-CB 3.44Å; V18-I21 PolarHBondContact O-N 3.25Å; V18-I21 VanDerWaalsContact O-N 3.12Å; I21-K23 PolarHBondContact O-N 3.26Å; I21-R24 CarbonylContact O-C 3.52Å; I21-R24 WeakPolarHBondContact O-CA 3.44Å; I21-R24 WeakPolarHBondContact O-CB 3.33Å; I21-R24 PolarHBondContact O-N 2.85Å; I21-R24 VanDerWaalsContact O-N 3.12Å; I21-D25 WeakPolarHBondContact CG2-OD2 3.45Å; I21-D25 VanDerWaalsContact O-CB 3.27Å; I21-D25 WeakPolarHBondContact O-CB 3.42Å; I21-D25 PolarHBondContact O-N 3.24Å
22	E	51.9	Low	67.9	Low	135 Å²	135	97.4 Å²	97.4	63%	0.631	49%	0.485	S	S	*	.	H	α-helix	trans	-61.8	-38.3	172.7	-88	-176	149	0	0	114	V18 R24 D25	V18-E22 PolarHBondContact O-N 3.06Å; E22-R24 VanDerWaalsContact C-N 3.27Å; E22-R24 PolarHBondContact O-N 3.13Å; E22-D25 PolarHBondContact O-N 2.99Å; E22-D25 VanDerWaalsContact O-N 3.15Å
23	K	51.7	Low	69.1	Low	192 Å²	192	94.8 Å²	94.8	84%	0.835	47%	0.466	S	S	*	.	H	α-helix	trans	-72.5	-22.3	177.2	-153.1	176.9	-172.6	-175.9	0	112.4	K19 I21	K19-K23 VanDerWaalsContact O-CB 3.27Å; K19-K23 WeakPolarHBondContact O-CB 3.44Å; K19-K23 PolarHBondContact O-N 2.83Å; I21-K23 PolarHBondContact O-N 3.26Å
24	R	49.8	Very low	70	Confident	168 Å²	168	91 Å²	91	63%	0.634	44%	0.444	S	S	*	.	H	α-helix	trans	-86	-18.1	167.8	-82	-179.9	-104.9	113.2	-3.5	113	A20 I21 E22	A20-R24 VanDerWaalsContact O-CB 3.26Å; A20-R24 WeakPolarHBondContact O-CB 3.41Å; A20-R24 VanDerWaalsContact O-CG 3.28Å; A20-R24 WeakPolarHBondContact O-CG 3.48Å; A20-R24 PolarHBondContact O-N 3.05Å; A20-R24 VanDerWaalsContact O-N 3.07Å; A20-R24 PolarHBondContact O-NE 3.04Å; I21-R24 CarbonylContact O-C 3.52Å; I21-R24 WeakPolarHBondContact O-CA 3.44Å; I21-R24 WeakPolarHBondContact O-CB 3.33Å; I21-R24 PolarHBondContact O-N 2.85Å; I21-R24 VanDerWaalsContact O-N 3.12Å; E22-R24 VanDerWaalsContact C-N 3.27Å; E22-R24 PolarHBondContact O-N 3.13Å
25	D	46	Very low	70.8	Confident	114 Å²	114	88.4 Å²	88.4	61%	0.61	44%	0.435	S	S	*	.	S	Bend	trans	-89.5	-3.7	-170	-80.7	-14.8	0	0	0	116.3	I21 E22	I21-D25 WeakPolarHBondContact CG2-OD2 3.45Å; I21-D25 VanDerWaalsContact O-CB 3.27Å; I21-D25 WeakPolarHBondContact O-CB 3.42Å; I21-D25 PolarHBondContact O-N 3.24Å; E22-D25 PolarHBondContact O-N 2.99Å; E22-D25 VanDerWaalsContact O-N 3.15Å
26	S	50.6	Low	72	Confident	61 Å²	61	84.1 Å²	84.1	43%	0.427	42%	0.418	S	S	.	.			trans	-160.2	96.9	169.8	-174.7	0	0	0	0	113.5	L28	S26-L28 PolarHBondContact O-N 3.13Å; S26-L28 PolarHBondContact OG-O 3.1Å; S26-L28 VanDerWaalsContact OG-O 3.07Å
27	V	64.8	Low	73.1	Confident	96 Å²	96	77.9 Å²	77.9	58%	0.582	39%	0.389	S	S	*	.	S	Bend	trans	-61.6	107.7	162.2	178.4	0	0	0	0	108.4	Q33	V27-Q33 PolarHBondContact O-NE2 3.39Å
28	L	79.5	Confident	74.7	Confident	54 Å²	54	73.9 Å²	73.9	28%	0.283	37%	0.371	S	S	.	.	S	Bend	trans	57.4	135.4	-170.2	-57.8	120.5	0	0	0	115.8	S26 Q32 Q33	S26-L28 PolarHBondContact O-N 3.13Å; S26-L28 PolarHBondContact OG-O 3.1Å; S26-L28 VanDerWaalsContact OG-O 3.07Å; L28-Q32 VanDerWaalsContact CA-OE1 3.31Å; L28-Q32 HydrophobicContact CB-CB 3.72Å; L28-Q32 HydrophobicContact CD2-CB 3.58Å; L28-Q32 HydrophobicContact CD2-CG 4.47Å; L28-Q32 HydrophobicContact CG-CB 4.21Å; L28-Q33 HydrophobicContact CB-CG 3.78Å
29	T	89.4	Confident	75.9	Confident	66 Å²	66	74.1 Å²	74.1	41%	0.405	37%	0.367	S	S	.	.			trans	-64.7	163.7	170	68.6	0	0	0	0	111.4	K31 Q32 Q33	T29-K31 VanDerWaalsContact C-N 3.3Å; T29-K31 PolarHBondContact O-N 2.7Å; T29-Q32 PolarHBondContact O-N 3.1Å; T29-Q32 WeakPolarHBondContact OG1-CB 3.27Å; T29-Q32 VanDerWaalsContact OG1-CG 3.28Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.41Å; T29-Q32 PolarHBondContact OG1-N 3.23Å; T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 2.94Å
30	P	90.4	Very high	78	Confident	47 Å²	47	75 Å²	75	31%	0.305	38%	0.384	S	S	.	.	H	α-helix	trans	-44.9	-52.5	171.8	-33.2	37.6	0	0	0	113.5	Q32 Q33 I34 L74 N80	P30-Q32 PolarHBondContact O-N 3.13Å; P30-Q33 WeakPolarHBondContact O-CB 3.47Å; P30-Q33 PolarHBondContact O-N 3.27Å; P30-I34 VanDerWaalsContact O-CG1 3.3Å; P30-I34 WeakPolarHBondContact O-CG1 3.36Å; P30-I34 PolarHBondContact O-N 3.07Å; P30-L74 WeakPolarHBondContact CB-O 3.21Å; P30-L74 HydrophobicContact CG-CD2 3.85Å; P30-N80 VanDerWaalsContact CB-OD1 3.32Å; P30-N80 WeakPolarHBondContact CB-OD1 3.47Å
31	K	92.4	Very high	79.2	Confident	126 Å²	126	75 Å²	75	55%	0.548	39%	0.387	S	S	.	.	H	α-helix	trans	-59.2	-45	177.3	-175.8	173.4	-178.4	173.5	0	112.7	T29 Q33 I34 D35	T29-K31 VanDerWaalsContact C-N 3.3Å; T29-K31 PolarHBondContact O-N 2.7Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.07Å; K31-I34 PolarHBondContact O-N 3.32Å; K31-D35 WeakPolarHBondContact O-CB 3.26Å; K31-D35 VanDerWaalsContact O-CG 3.27Å; K31-D35 PolarHBondContact O-N 3.37Å
32	Q	93.6	Very high	81.3	Confident	94 Å²	94	72 Å²	72	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-67.1	-33.7	179	-73.5	174.3	-20.9	0	0	112.5	L28 T29 P30 R36	L28-Q32 VanDerWaalsContact CA-OE1 3.31Å; L28-Q32 HydrophobicContact CB-CB 3.72Å; L28-Q32 HydrophobicContact CD2-CB 3.58Å; L28-Q32 HydrophobicContact CD2-CG 4.47Å; L28-Q32 HydrophobicContact CG-CB 4.21Å; T29-Q32 PolarHBondContact O-N 3.1Å; T29-Q32 WeakPolarHBondContact OG1-CB 3.27Å; T29-Q32 VanDerWaalsContact OG1-CG 3.28Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.41Å; T29-Q32 PolarHBondContact OG1-N 3.23Å; P30-Q32 PolarHBondContact O-N 3.13Å; Q32-R36 VanDerWaalsContact O-CB 3.27Å; Q32-R36 WeakPolarHBondContact O-CB 3.48Å; Q32-R36 PolarHBondContact O-N 3.05Å
33	Q	94.5	Very high	83.2	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.009	37%	0.372	C	S	.	.	H	α-helix	trans	-65.7	-43.7	172.7	-72	-69.5	0.3	0	0	111.2	V27 L28 T29 P30 K31 R36 L37 Q54 L71 L74 V75	V27-Q33 PolarHBondContact O-NE2 3.39Å; L28-Q33 HydrophobicContact CB-CG 3.78Å; T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 2.94Å; P30-Q33 WeakPolarHBondContact O-CB 3.47Å; P30-Q33 PolarHBondContact O-N 3.27Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.07Å; Q33-R36 PolarHBondContact O-N 2.89Å; Q33-L37 WeakPolarHBondContact O-CB 3.29Å; Q33-L37 VanDerWaalsContact O-CG 3.31Å; Q33-L37 WeakPolarHBondContact O-CG 3.33Å; Q33-L37 PolarHBondContact O-N 3.26Å; Q33-Q54 VanDerWaalsContact NE2-NE2 3.11Å; Q33-L71 VanDerWaalsContact CD-CD2 3.44Å; Q33-L71 HydrophobicContact CG-CD2 4.15Å; Q33-L74 HydrophobicContact CG-CD1 4.34Å; Q33-V75 HydrophobicContact CB-CG1 3.78Å
34	I	96.1	Very high	85.1	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-48.4	174.8	-66.8	162.4	0	0	0	110.4	P30 K31 R36 L37 N38 V75 N80 R86 S87 A90	P30-I34 VanDerWaalsContact O-CG1 3.3Å; P30-I34 WeakPolarHBondContact O-CG1 3.36Å; P30-I34 PolarHBondContact O-N 3.07Å; K31-I34 PolarHBondContact O-N 3.32Å; I34-R36 VanDerWaalsContact C-N 3.34Å; I34-R36 PolarHBondContact O-N 3.46Å; I34-L37 PolarHBondContact O-N 3.01Å; I34-N38 WeakPolarHBondContact CG2-ND2 3.47Å; I34-N38 VanDerWaalsContact O-CB 3.31Å; I34-N38 WeakPolarHBondContact O-CB 3.38Å; I34-N38 PolarHBondContact O-N 3.09Å; I34-N38 PolarHBondContact O-ND2 2.9Å; I34-V75 HydrophobicContact CG1-CB 4.16Å; I34-V75 HydrophobicContact CG1-CG1 4.08Å; I34-N80 HydrophobicContact CD1-CB 4.26Å; I34-R86 HydrophobicContact CG2-CB 3.63Å; I34-S87 VanDerWaalsContact CD1-OG 3.22Å; I34-S87 WeakPolarHBondContact CD1-OG 3.49Å; I34-A90 HydrophobicContact CB-CB 4.46Å; I34-A90 HydrophobicContact CG1-CB 4.17Å; I34-A90 HydrophobicContact CG2-CB 4.45Å
35	D	95.6	Very high	87.1	Confident	66 Å²	66	62.1 Å²	62.1	35%	0.353	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-42.5	178.5	-71.6	-25	0	0	0	111.5	K31 L37 N38 R39 R86	K31-D35 WeakPolarHBondContact O-CB 3.26Å; K31-D35 VanDerWaalsContact O-CG 3.27Å; K31-D35 PolarHBondContact O-N 3.37Å; D35-L37 PolarHBondContact O-N 2.95Å; D35-N38 CarbonylContact O-C 3.54Å; D35-N38 PolarHBondContact O-N 3.01Å; D35-R39 WeakPolarHBondContact O-CA 3.45Å; D35-R39 PolarHBondContact O-N 2.96Å; D35-R86 IonicContact OD1-NH1 3.36Å; D35-R86 PolarHBondContact OD1-NH1 3.38Å
36	R	94.7	Very high	89.5	Confident	29 Å²	29	58.3 Å²	58.3	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-43.5	176.4	177.4	-167.4	67.4	122.6	-0.7	112.3	Q32 Q33 I34 R39 D51 V52 Q54	Q32-R36 VanDerWaalsContact O-CB 3.27Å; Q32-R36 WeakPolarHBondContact O-CB 3.48Å; Q32-R36 PolarHBondContact O-N 3.05Å; Q33-R36 PolarHBondContact O-N 2.89Å; I34-R36 VanDerWaalsContact C-N 3.34Å; I34-R36 PolarHBondContact O-N 3.46Å; R36-R39 VanDerWaalsContact CG-NH1 3.27Å; R36-R39 WeakPolarHBondContact O-CD 3.46Å; R36-R39 VanDerWaalsContact O-CG 3.24Å; R36-R39 WeakPolarHBondContact O-CG 3.38Å; R36-R39 PolarHBondContact O-NH1 3.32Å; R36-D51 PolarHBondContact NH1-O 2.85Å; R36-V52 PolarHBondContact NH1-O 3.45Å; R36-V52 VanDerWaalsContact NH1-O 3.16Å; R36-V52 PolarHBondContact NH2-O 3.41Å; R36-Q54 VanDerWaalsContact NH1-NE2 3.13Å
37	L	96.8	Very high	91.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-78.3	-22.8	-177.4	-70.4	167.2	0	0	0	112.4	Q33 I34 D35 S42 N46 V52 V75 A90 A93 V94	Q33-L37 WeakPolarHBondContact O-CB 3.29Å; Q33-L37 VanDerWaalsContact O-CG 3.31Å; Q33-L37 WeakPolarHBondContact O-CG 3.33Å; Q33-L37 PolarHBondContact O-N 3.26Å; I34-L37 PolarHBondContact O-N 3.01Å; D35-L37 PolarHBondContact O-N 2.95Å; L37-S42 WeakPolarHBondContact O-CB 3.35Å; L37-N46 PolarHBondContact O-ND2 3.46Å; L37-V52 HydrophobicContact CD2-CB 4.44Å; L37-V52 HydrophobicContact CD2-CG1 3.84Å; L37-V52 HydrophobicContact CD2-CG2 4.44Å; L37-V75 HydrophobicContact CD1-CG1 4.2Å; L37-A90 HydrophobicContact CB-CB 4Å; L37-A90 HydrophobicContact CD1-CB 3.83Å; L37-A93 HydrophobicContact CD2-CB 4.42Å; L37-V94 HydrophobicContact CD1-CG2 3.62Å
38	N	96.9	Very high	93.3	Very high	32 Å²	32	52.7 Å²	52.7	17%	0.171	28%	0.28	C	S	.	.	S	Bend	trans	-105.2	9.1	178.3	-68.5	-38.7	0	0	0	113.8	I34 D35 R86 K89	I34-N38 WeakPolarHBondContact CG2-ND2 3.47Å; I34-N38 VanDerWaalsContact O-CB 3.31Å; I34-N38 WeakPolarHBondContact O-CB 3.38Å; I34-N38 PolarHBondContact O-N 3.09Å; I34-N38 PolarHBondContact O-ND2 2.9Å; D35-N38 CarbonylContact O-C 3.54Å; D35-N38 PolarHBondContact O-N 3.01Å; N38-R86 PolarHBondContact ND2-O 3.32Å; N38-K89 VanDerWaalsContact OD1-CD 3.25Å; N38-K89 WeakPolarHBondContact OD1-CD 3.48Å; N38-K89 WeakPolarHBondContact OD1-CG 3.44Å
39	R	94.1	Very high	94.1	Very high	57 Å²	57	50.2 Å²	50.2	22%	0.215	27%	0.267	C	S	.	.	S	Bend	trans	-54.9	153.4	179.6	69.6	-173.7	-179.8	-117.1	14.8	112	D35 R36 G41 S42 F45 D51	D35-R39 WeakPolarHBondContact O-CA 3.45Å; D35-R39 PolarHBondContact O-N 2.96Å; R36-R39 VanDerWaalsContact CG-NH1 3.27Å; R36-R39 WeakPolarHBondContact O-CD 3.46Å; R36-R39 VanDerWaalsContact O-CG 3.24Å; R36-R39 WeakPolarHBondContact O-CG 3.38Å; R36-R39 PolarHBondContact O-NH1 3.32Å; R39-G41 PolarHBondContact O-N 3.35Å; R39-S42 WeakPolarHBondContact O-CA 3.4Å; R39-S42 WeakPolarHBondContact O-CB 3.22Å; R39-S42 PolarHBondContact O-N 3.49Å; R39-S42 PolarHBondContact O-OG 3.11Å; R39-F45 HydrophobicContact CG-CD2 4.13Å; R39-F45 VanDerWaalsContact NH2-CB 3.3Å; R39-F45 VanDerWaalsContact NH2-CD1 3.28Å; R39-D51 IonicContact NH2-OD2 3.31Å; R39-D51 PolarHBondContact NH2-OD2 2.89Å; R39-D51 VanDerWaalsContact NH2-OD2 3.07Å
40	P	94.1	Very high	94.5	Very high	128 Å²	128	47.3 Å²	47.3	83%	0.831	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.3	167.4	-26.3	35.4	0	0	0	110.7	S42	P40-S42 VanDerWaalsContact C-N 3.34Å
41	G	91	Very high	94.8	Very high	35 Å²	35	46.8 Å²	46.8	36%	0.361	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	4.1	-173	0	0	0	0	0	115.3	R39 T43 Y44 F45	R39-G41 PolarHBondContact O-N 3.35Å; G41-T43 PolarHBondContact O-N 3.48Å; G41-Y44 PolarHBondContact O-N 2.97Å; G41-F45 VanDerWaalsContact C-CD2 3.47Å; G41-F45 WeakPolarHBondContact O-CD2 3.2Å; G41-F45 PolarHBondContact O-N 3.32Å
42	S	93.1	Very high	95	Very high	10 Å²	10	40.8 Å²	40.8	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-51.5	-27.7	174.7	44.4	0	0	0	0	113.6	L37 R39 P40 Y44 N46	L37-S42 WeakPolarHBondContact O-CB 3.35Å; R39-S42 WeakPolarHBondContact O-CA 3.4Å; R39-S42 WeakPolarHBondContact O-CB 3.22Å; R39-S42 PolarHBondContact O-N 3.49Å; R39-S42 PolarHBondContact O-OG 3.11Å; P40-S42 VanDerWaalsContact C-N 3.34Å; S42-Y44 PolarHBondContact O-N 2.71Å; S42-N46 WeakPolarHBondContact O-CB 3.38Å; S42-N46 PolarHBondContact O-N 3.28Å; S42-N46 PolarHBondContact O-ND2 2.86Å
43	T	92.4	Very high	95.1	Very high	100 Å²	100	36.3 Å²	36.3	61%	0.613	20%	0.196	S	C	*	.	H	α-helix	trans	-56.4	-33.1	173	52.7	0	0	0	0	113.4	G41 L47	G41-T43 PolarHBondContact O-N 3.48Å; T43-L47 WeakPolarHBondContact O-CG 3.48Å
44	Y	92.3	Very high	95.2	Very high	118 Å²	118	38.5 Å²	38.5	46%	0.463	21%	0.206	S	C	.	.	H	α-helix	trans	-100.2	-40	177.6	-63.3	-69	0	0	0	112.1	G41 S42 N46 L47 A162	G41-Y44 PolarHBondContact O-N 2.97Å; S42-Y44 PolarHBondContact O-N 2.71Å; Y44-N46 VanDerWaalsContact C-N 3.31Å; Y44-N46 PolarHBondContact O-N 2.96Å; Y44-L47 HydrophobicContact CD1-CD1 3.97Å; Y44-L47 VanDerWaalsContact O-CB 3.3Å; Y44-L47 WeakPolarHBondContact O-CB 3.39Å; Y44-L47 WeakPolarHBondContact O-CG 3.48Å; Y44-L47 PolarHBondContact O-N 3.23Å; Y44-L47 VanDerWaalsContact O-N 3.15Å; Y44-A162 HydrophobicContact CD1-CB 3.72Å; Y44-A162 HydrophobicContact CE1-CB 4.45Å; Y44-A162 HydrophobicContact CG-CB 4.34Å
45	F	91.3	Very high	95.1	Very high	69 Å²	69	39.4 Å²	39.4	30%	0.303	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-39.8	178.7	-72	-61.2	0	0	0	112.4	R39 G41 L47 N48	R39-F45 HydrophobicContact CG-CD2 4.13Å; R39-F45 VanDerWaalsContact NH2-CB 3.3Å; R39-F45 VanDerWaalsContact NH2-CD1 3.28Å; G41-F45 VanDerWaalsContact C-CD2 3.47Å; G41-F45 WeakPolarHBondContact O-CD2 3.2Å; G41-F45 PolarHBondContact O-N 3.32Å; F45-L47 PolarHBondContact O-N 3.03Å; F45-N48 PolarHBondContact O-N 3.49Å
46	N	96.5	Very high	95.1	Very high	34 Å²	34	41 Å²	41	18%	0.182	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	0.6	-178.9	-60.6	-11.2	0	0	0	113.3	L37 S42 Y44 N48 V52	L37-N46 PolarHBondContact O-ND2 3.46Å; S42-N46 WeakPolarHBondContact O-CB 3.38Å; S42-N46 PolarHBondContact O-N 3.28Å; S42-N46 PolarHBondContact O-ND2 2.86Å; Y44-N46 VanDerWaalsContact C-N 3.31Å; Y44-N46 PolarHBondContact O-N 2.96Å; N46-N48 VanDerWaalsContact C-N 3.29Å; N46-V52 VanDerWaalsContact CA-CG2 3.49Å; N46-V52 HydrophobicContact CB-CG2 3.78Å
47	L	96.7	Very high	95.1	Very high	31 Å²	31	41.1 Å²	41.1	16%	0.162	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.9	172	-63.3	171.3	0	0	0	112	T43 Y44 F45 P49 F161 E165	T43-L47 WeakPolarHBondContact O-CG 3.48Å; Y44-L47 HydrophobicContact CD1-CD1 3.97Å; Y44-L47 VanDerWaalsContact O-CB 3.3Å; Y44-L47 WeakPolarHBondContact O-CB 3.39Å; Y44-L47 WeakPolarHBondContact O-CG 3.48Å; Y44-L47 PolarHBondContact O-N 3.23Å; Y44-L47 VanDerWaalsContact O-N 3.15Å; F45-L47 PolarHBondContact O-N 3.03Å; L47-P49 WeakPolarHBondContact O-CD 3.11Å; L47-F161 HydrophobicContact CB-CB 3.95Å; L47-E165 HydrophobicContact CD1-CB 3.55Å; L47-E165 HydrophobicContact CD1-CG 4Å; L47-E165 HydrophobicContact CD2-CB 4.05Å; L47-E165 HydrophobicContact CD2-CG 3.92Å; L47-E165 HydrophobicContact CG-CB 4.46Å
48	N	97	Very high	95	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.043	26%	0.255	C	S	.	.	S	Bend	trans	-84.5	105.6	172.5	-178.3	-6	0	0	0	109.6	F45 N46 Y50 D51 V52 F161	F45-N48 PolarHBondContact O-N 3.49Å; N46-N48 VanDerWaalsContact C-N 3.29Å; N48-Y50 PolarHBondContact O-N 2.86Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.36Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.5Å; N48-Y50 PolarHBondContact OD1-N 3.24Å; N48-Y50 VanDerWaalsContact OD1-N 3.1Å; N48-D51 HydrophobicContact CB-CB 4.19Å; N48-D51 PolarHBondContact O-N 3.32Å; N48-V52 WeakPolarHBondContact O-CG2 3.37Å; N48-V52 PolarHBondContact O-N 3.12Å; N48-F161 HydrophobicContact CB-CD2 3.8Å; N48-F161 HydrophobicContact CB-CE2 4.07Å; N48-F161 HydrophobicContact CB-CG 4.48Å
49	P	98.1	Very high	94.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-26.7	-176.1	29.6	-37.2	0	0	0	113.1	L47 V52 L53 A97 T100 L101 C110	L47-P49 WeakPolarHBondContact O-CD 3.11Å; P49-V52 PolarHBondContact O-N 3.28Å; P49-L53 WeakPolarHBondContact O-CB 3.34Å; P49-L53 WeakPolarHBondContact O-CG 3.48Å; P49-L53 PolarHBondContact O-N 2.85Å; P49-A97 HydrophobicContact CB-CB 3.78Å; P49-T100 HydrophobicContact CG-CG2 4.44Å; P49-L101 HydrophobicContact CB-CD1 3.94Å; P49-L101 HydrophobicContact CB-CD2 4.16Å; P49-L101 HydrophobicContact CB-CG 3.81Å; P49-L101 HydrophobicContact CG-CD1 4.24Å; P49-L101 HydrophobicContact CG-CD2 3.68Å; P49-L101 HydrophobicContact CG-CG 3.92Å; P49-C110 HydrophobicContact CG-CB 4.4Å
50	Y	97.4	Very high	95	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-39.8	178.1	-54.5	-69.7	0	0	0	111.6	N48 Q54 V55 P57 L101 C110 K111 V114	N48-Y50 PolarHBondContact O-N 2.86Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.36Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.5Å; N48-Y50 PolarHBondContact OD1-N 3.24Å; N48-Y50 VanDerWaalsContact OD1-N 3.1Å; Y50-Q54 WeakPolarHBondContact O-CA 3.37Å; Y50-Q54 PolarHBondContact O-N 3.38Å; Y50-V55 HydrophobicContact CD1-CG2 4.02Å; Y50-V55 PolarHBondContact O-N 3.24Å; Y50-P57 HydrophobicContact CD1-CB 4.42Å; Y50-P57 HydrophobicContact CD2-CB 4.16Å; Y50-P57 HydrophobicContact CD2-CG 4.1Å; Y50-P57 HydrophobicContact CE1-CB 4.41Å; Y50-P57 HydrophobicContact CE2-CB 4.15Å; Y50-P57 HydrophobicContact CG-CB 4.3Å; Y50-P57 HydrophobicContact CG-CG 4.15Å; Y50-L101 HydrophobicContact CD1-CD1 3.8Å; Y50-L101 HydrophobicContact CD1-CD2 4.28Å; Y50-L101 HydrophobicContact CE1-CD1 3.79Å; Y50-L101 HydrophobicContact CE1-CD2 3.59Å; Y50-L101 HydrophobicContact CE1-CG 4.37Å; Y50-L101 HydrophobicContact CE2-CD2 4.34Å; Y50-C110 HydrophobicContact CE2-CB 3.99Å; Y50-K111 WeakPolarHBondContact OH-CG 3.46Å; Y50-V114 HydrophobicContact CD2-CG2 4.07Å; Y50-V114 HydrophobicContact CE2-CG2 3.83Å
51	D	95.4	Very high	95.1	Very high	35 Å²	35	43 Å²	43	19%	0.187	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-43.7	174.4	-173.5	45.9	0	0	0	111.3	R36 R39 N48 L53 Q54 Y154	R36-D51 PolarHBondContact NH1-O 2.85Å; R39-D51 IonicContact NH2-OD2 3.31Å; R39-D51 PolarHBondContact NH2-OD2 2.89Å; R39-D51 VanDerWaalsContact NH2-OD2 3.07Å; N48-D51 HydrophobicContact CB-CB 4.19Å; N48-D51 PolarHBondContact O-N 3.32Å; D51-L53 VanDerWaalsContact C-N 3.34Å; D51-L53 PolarHBondContact O-N 3.44Å; D51-Q54 PolarHBondContact O-N 3.35Å; D51-Y154 HydrophobicContact CB-CE2 4.44Å
52	V	97.2	Very high	95.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-49.5	177.2	172.4	0	0	0	0	110.8	R36 L37 N46 N48 P49 Q54 V94 A97	R36-V52 PolarHBondContact NH1-O 3.45Å; R36-V52 VanDerWaalsContact NH1-O 3.16Å; R36-V52 PolarHBondContact NH2-O 3.41Å; L37-V52 HydrophobicContact CD2-CB 4.44Å; L37-V52 HydrophobicContact CD2-CG1 3.84Å; L37-V52 HydrophobicContact CD2-CG2 4.44Å; N46-V52 VanDerWaalsContact CA-CG2 3.49Å; N46-V52 HydrophobicContact CB-CG2 3.78Å; N48-V52 WeakPolarHBondContact O-CG2 3.37Å; N48-V52 PolarHBondContact O-N 3.12Å; P49-V52 PolarHBondContact O-N 3.28Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 2.92Å; V52-V94 HydrophobicContact CG1-CG2 4.22Å; V52-A97 HydrophobicContact CB-CB 3.68Å; V52-A97 HydrophobicContact CG1-CB 3.51Å; V52-A97 HydrophobicContact CG2-CB 4.29Å
53	L	96.9	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-82.1	-4.2	-178.1	-65	-178.2	0	0	0	114.3	P49 D51 V55 I64 Y68 L71 V94 A97 L101	P49-L53 WeakPolarHBondContact O-CB 3.34Å; P49-L53 WeakPolarHBondContact O-CG 3.48Å; P49-L53 PolarHBondContact O-N 2.85Å; D51-L53 VanDerWaalsContact C-N 3.34Å; D51-L53 PolarHBondContact O-N 3.44Å; L53-V55 VanDerWaalsContact C-N 3.32Å; L53-V55 HydrophobicContact CB-CG1 4.42Å; L53-V55 HydrophobicContact CB-CG2 3.89Å; L53-V55 PolarHBondContact O-N 2.7Å; L53-I64 HydrophobicContact CD1-CG2 3.81Å; L53-Y68 HydrophobicContact CD2-CD2 4.44Å; L53-L71 HydrophobicContact CB-CD1 4.5Å; L53-L71 HydrophobicContact CD2-CD1 4.19Å; L53-L71 WeakPolarHBondContact O-CD1 3.39Å; L53-V94 HydrophobicContact CD2-CG1 3.92Å; L53-A97 HydrophobicContact CD1-CB 4.45Å; L53-A97 HydrophobicContact CD2-CB 4.43Å; L53-A97 HydrophobicContact CG-CB 4.04Å; L53-L101 HydrophobicContact CD1-CD1 3.99Å
54	Q	94.8	Very high	95.8	Very high	48 Å²	48	43.4 Å²	43.4	22%	0.224	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	49.9	-176.2	-55	-175.6	-5.4	0	0	112.2	Q33 R36 Y50 D51 V52	Q33-Q54 VanDerWaalsContact NE2-NE2 3.11Å; R36-Q54 VanDerWaalsContact NH1-NE2 3.13Å; Y50-Q54 WeakPolarHBondContact O-CA 3.37Å; Y50-Q54 PolarHBondContact O-N 3.38Å; D51-Q54 PolarHBondContact O-N 3.35Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 2.92Å
55	V	95.3	Very high	96	Very high	21 Å²	21	41.5 Å²	41.5	13%	0.127	23%	0.231	C	C	.	.			trans	-123.7	153.5	178.1	-70.2	0	0	0	0	109.9	Y50 L53 A59 I64 K67	Y50-V55 HydrophobicContact CD1-CG2 4.02Å; Y50-V55 PolarHBondContact O-N 3.24Å; L53-V55 VanDerWaalsContact C-N 3.32Å; L53-V55 HydrophobicContact CB-CG1 4.42Å; L53-V55 HydrophobicContact CB-CG2 3.89Å; L53-V55 PolarHBondContact O-N 2.7Å; V55-A59 HydrophobicContact CB-CB 4.07Å; V55-I64 HydrophobicContact CG2-CG1 4.34Å; V55-K67 HydrophobicContact CG1-CB 3.78Å; V55-K67 HydrophobicContact CG1-CG 3.62Å
56	D	94.8	Very high	96.2	Very high	99 Å²	99	43.5 Å²	43.5	53%	0.529	24%	0.239	S	C	.	.			trans	-70.1	144.1	169.4	-164.9	-78.3	0	0	0	110	D58 A59	D56-D58 PolarHBondContact O-N 3.29Å; D56-D58 VanDerWaalsContact O-N 3.16Å; D56-D58 WeakPolarHBondContact OD1-CB 3.31Å; D56-D58 PolarHBondContact OD1-N 3.25Å; D56-A59 WeakPolarHBondContact O-CB 3.4Å; D56-A59 PolarHBondContact O-N 3.06Å
57	P	94.4	Very high	96.2	Very high	31 Å²	31	44.9 Å²	44.9	20%	0.201	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.5	172.4	-28.5	37	0	0	0	115.2	Y50 A59 V114	Y50-P57 HydrophobicContact CD1-CB 4.42Å; Y50-P57 HydrophobicContact CD2-CB 4.16Å; Y50-P57 HydrophobicContact CD2-CG 4.1Å; Y50-P57 HydrophobicContact CE1-CB 4.41Å; Y50-P57 HydrophobicContact CE2-CB 4.15Å; Y50-P57 HydrophobicContact CG-CB 4.3Å; Y50-P57 HydrophobicContact CG-CG 4.15Å; P57-A59 VanDerWaalsContact C-N 3.33Å; P57-V114 HydrophobicContact CB-CB 4.38Å; P57-V114 HydrophobicContact CB-CG1 3.77Å; P57-V114 HydrophobicContact CB-CG2 4.08Å; P57-V114 HydrophobicContact CG-CG1 3.92Å; P57-V114 HydrophobicContact CG-CG2 4.1Å
58	D	94.6	Very high	96.2	Very high	118 Å²	118	45.6 Å²	45.6	63%	0.631	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	3.5	177.8	-61.5	-39.3	0	0	0	112.8	D56 K118	D56-D58 PolarHBondContact O-N 3.29Å; D56-D58 VanDerWaalsContact O-N 3.16Å; D56-D58 WeakPolarHBondContact OD1-CB 3.31Å; D56-D58 PolarHBondContact OD1-N 3.25Å; D58-K118 IonicContact OD2-NZ 3.55Å
59	A	95.3	Very high	96.2	Very high	22 Å²	22	52 Å²	52	18%	0.182	27%	0.269	C	S	.	.			trans	-62.6	144.9	179.7	0	0	0	0	0	112.5	V55 D56 P57 D63 I64	V55-A59 HydrophobicContact CB-CB 4.07Å; D56-A59 WeakPolarHBondContact O-CB 3.4Å; D56-A59 PolarHBondContact O-N 3.06Å; P57-A59 VanDerWaalsContact C-N 3.33Å; A59-D63 HydrophobicContact CB-CB 4.36Å; A59-I64 HydrophobicContact CB-CG1 4.37Å
60	S	96.6	Very high	96	Very high	55 Å²	55	56.2 Å²	56.2	39%	0.385	29%	0.288	S	S	.	.			trans	-68.7	155.1	176.9	78.8	0	0	0	0	111.3	A62 D63 I64	S60-A62 PolarHBondContact O-N 3.27Å; S60-A62 VanDerWaalsContact O-N 3.14Å; S60-A62 PolarHBondContact OG-N 3.4Å; S60-D63 PolarHBondContact O-N 3.31Å; S60-D63 VanDerWaalsContact OG-CG 3.28Å; S60-D63 PolarHBondContact OG-N 3.39Å; S60-D63 PolarHBondContact OG-OD2 3.26Å; S60-I64 WeakPolarHBondContact O-CG1 3.47Å; S60-I64 PolarHBondContact O-N 2.65Å
61	M	96.4	Very high	95.9	Very high	61 Å²	61	56.3 Å²	56.3	30%	0.3	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-27.4	175.1	-166.6	62.7	-146.4	0	0	112.5	I64 K65 Y98 D102	M61-I64 HydrophobicContact CE-CB 4.26Å; M61-I64 HydrophobicContact CE-CG2 3.81Å; M61-I64 HydrophobicContact SD-CB 4.29Å; M61-I64 HydrophobicContact SD-CD1 4.17Å; M61-I64 HydrophobicContact SD-CG2 4.28Å; M61-K65 HydrophobicContact CE-CD 4.38Å; M61-K65 HydrophobicContact CE-CG 3.88Å; M61-K65 HydrophobicContact CG-CD 4.47Å; M61-K65 WeakPolarHBondContact O-CB 3.07Å; M61-K65 VanDerWaalsContact O-CG 3.31Å; M61-K65 WeakPolarHBondContact O-CG 3.33Å; M61-K65 PolarHBondContact O-N 2.95Å; M61-Y98 HydrophobicContact CE-CD2 4.34Å; M61-Y98 HydrophobicContact CE-CE2 3.62Å; M61-D102 HydrophobicContact CE-CB 3.89Å; M61-D102 WeakPolarHBondContact CE-OD1 3.21Å
62	A	96.9	Very high	96	Very high	68 Å²	68	55.2 Å²	55.2	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-66.1	-41.8	174.7	0	0	0	0	0	111.9	S60 K65 K66	S60-A62 PolarHBondContact O-N 3.27Å; S60-A62 VanDerWaalsContact O-N 3.14Å; S60-A62 PolarHBondContact OG-N 3.4Å; A62-K65 PolarHBondContact O-N 2.87Å; A62-K66 WeakPolarHBondContact O-CB 3.49Å; A62-K66 PolarHBondContact O-N 3.26Å
63	D	96.4	Very high	95.8	Very high	78 Å²	78	60.8 Å²	60.8	42%	0.417	31%	0.313	S	S	.	.	H	α-helix	trans	-68.6	-41.6	177	-62.7	-49.4	0	0	0	111.6	A59 S60 K65 K66 K67	A59-D63 HydrophobicContact CB-CB 4.36Å; S60-D63 PolarHBondContact O-N 3.31Å; S60-D63 VanDerWaalsContact OG-CG 3.28Å; S60-D63 PolarHBondContact OG-N 3.39Å; S60-D63 PolarHBondContact OG-OD2 3.26Å; D63-K65 PolarHBondContact O-N 3.16Å; D63-K66 WeakPolarHBondContact O-CB 3.21Å; D63-K66 PolarHBondContact O-N 2.93Å; D63-K67 WeakPolarHBondContact O-CB 3.45Å; D63-K67 WeakPolarHBondContact O-CG 3.46Å; D63-K67 PolarHBondContact O-N 2.98Å
64	I	97.2	Very high	95.6	Very high	8 Å²	8	63 Å²	63	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-49.4	173.4	-66	169.3	0	0	0	110.1	L53 V55 A59 S60 M61 K66 K67 Y68 Y98 L101	L53-I64 HydrophobicContact CD1-CG2 3.81Å; V55-I64 HydrophobicContact CG2-CG1 4.34Å; A59-I64 HydrophobicContact CB-CG1 4.37Å; S60-I64 WeakPolarHBondContact O-CG1 3.47Å; S60-I64 PolarHBondContact O-N 2.65Å; M61-I64 HydrophobicContact CE-CB 4.26Å; M61-I64 HydrophobicContact CE-CG2 3.81Å; M61-I64 HydrophobicContact SD-CB 4.29Å; M61-I64 HydrophobicContact SD-CD1 4.17Å; M61-I64 HydrophobicContact SD-CG2 4.28Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 3.25Å; I64-K67 PolarHBondContact O-N 3.21Å; I64-Y68 VanDerWaalsContact O-CB 3.32Å; I64-Y68 WeakPolarHBondContact O-CB 3.42Å; I64-Y68 PolarHBondContact O-N 3.5Å; I64-Y98 HydrophobicContact CG2-CD2 4.24Å; I64-L101 HydrophobicContact CD1-CB 4.45Å; I64-L101 HydrophobicContact CD1-CD1 4.09Å; I64-L101 HydrophobicContact CG2-CB 4.26Å; I64-L101 HydrophobicContact CG2-CD1 4.15Å
65	K	97.5	Very high	95.6	Very high	78 Å²	78	60.7 Å²	60.7	34%	0.339	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-39.8	176.5	-77.5	177.5	-174.9	-169	0	112.3	M61 A62 D63 R69 Y98 D102	M61-K65 HydrophobicContact CE-CD 4.38Å; M61-K65 HydrophobicContact CE-CG 3.88Å; M61-K65 HydrophobicContact CG-CD 4.47Å; M61-K65 WeakPolarHBondContact O-CB 3.07Å; M61-K65 VanDerWaalsContact O-CG 3.31Å; M61-K65 WeakPolarHBondContact O-CG 3.33Å; M61-K65 PolarHBondContact O-N 2.95Å; A62-K65 PolarHBondContact O-N 2.87Å; D63-K65 PolarHBondContact O-N 3.16Å; K65-R69 WeakPolarHBondContact O-CG 3.46Å; K65-R69 PolarHBondContact O-N 2.71Å; K65-R69 VanDerWaalsContact O-N 3.12Å; K65-R69 PolarHBondContact O-NH1 3.28Å; K65-Y98 VanDerWaalsContact CE-OH 3.28Å; K65-Y98 WeakPolarHBondContact CE-OH 3.46Å; K65-Y98 HydrophobicContact CG-CE2 3.69Å; K65-D102 WeakPolarHBondContact CE-OD1 3.5Å; K65-D102 IonicContact NZ-OD1 2.93Å
66	K	96.1	Very high	95.7	Very high	111 Å²	111	63.1 Å²	63.1	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-48.4	177.8	-177.2	-179	177.9	-177.8	0	111.2	A62 D63 I64 R69 Q70	A62-K66 WeakPolarHBondContact O-CB 3.49Å; A62-K66 PolarHBondContact O-N 3.26Å; D63-K66 WeakPolarHBondContact O-CB 3.21Å; D63-K66 PolarHBondContact O-N 2.93Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 3.25Å; K66-R69 PolarHBondContact O-N 3.5Å; K66-Q70 WeakPolarHBondContact O-CG 3.32Å; K66-Q70 PolarHBondContact O-N 2.96Å; K66-Q70 VanDerWaalsContact O-N 3.08Å
67	K	95.3	Very high	95.8	Very high	64 Å²	64	59.4 Å²	59.4	28%	0.278	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-40.8	179.9	-77	-79.1	-170.4	167	0	112.5	V55 D63 I64 R69 Q70 L71	V55-K67 HydrophobicContact CG1-CB 3.78Å; V55-K67 HydrophobicContact CG1-CG 3.62Å; D63-K67 WeakPolarHBondContact O-CB 3.45Å; D63-K67 WeakPolarHBondContact O-CG 3.46Å; D63-K67 PolarHBondContact O-N 2.98Å; I64-K67 PolarHBondContact O-N 3.21Å; K67-R69 PolarHBondContact O-N 2.83Å; K67-Q70 PolarHBondContact O-N 3.45Å; K67-L71 WeakPolarHBondContact O-CB 3.15Å; K67-L71 WeakPolarHBondContact O-CG 3.43Å; K67-L71 PolarHBondContact O-N 3.4Å
68	Y	97.5	Very high	95.8	Very high	46 Å²	46	63 Å²	63	18%	0.18	32%	0.322	C	S	.	.	H	α-helix	trans	-53.9	-53.5	170.7	169	-111.9	0	0	0	111.4	L53 I64 Q70 L71 S72 V94 N95 Y98	L53-Y68 HydrophobicContact CD2-CD2 4.44Å; I64-Y68 VanDerWaalsContact O-CB 3.32Å; I64-Y68 WeakPolarHBondContact O-CB 3.42Å; I64-Y68 PolarHBondContact O-N 3.5Å; Y68-Q70 VanDerWaalsContact C-N 3.33Å; Y68-Q70 PolarHBondContact O-N 3.34Å; Y68-L71 PolarHBondContact O-N 3.41Å; Y68-S72 WeakPolarHBondContact CD2-OG 3.39Å; Y68-S72 WeakPolarHBondContact CE2-OG 3.49Å; Y68-S72 VanDerWaalsContact O-CB 3.22Å; Y68-S72 WeakPolarHBondContact O-CB 3.4Å; Y68-S72 PolarHBondContact O-N 2.95Å; Y68-S72 PolarHBondContact O-OG 3.47Å; Y68-S72 VanDerWaalsContact O-OG 3.09Å; Y68-V94 HydrophobicContact CD2-CG1 3.7Å; Y68-V94 HydrophobicContact CE2-CG1 4.03Å; Y68-N95 PolarHBondContact OH-OD1 3.03Å; Y68-N95 VanDerWaalsContact OH-OD1 3.06Å; Y68-Y98 HydrophobicContact CD1-CD1 4.11Å; Y68-Y98 AromaticContact CD1-CD2 3.79Å; Y68-Y98 HydrophobicContact CD1-CD2 3.79Å; Y68-Y98 HydrophobicContact CD1-CE1 4.38Å; Y68-Y98 HydrophobicContact CD1-CE2 4.05Å; Y68-Y98 AromaticContact CD1-CG 3.82Å; Y68-Y98 HydrophobicContact CD1-CG 3.82Å; Y68-Y98 HydrophobicContact CD2-CD1 4.28Å; Y68-Y98 HydrophobicContact CD2-CD2 4.05Å; Y68-Y98 AromaticContact CD2-CG 3.61Å; Y68-Y98 HydrophobicContact CD2-CG 3.61Å; Y68-Y98 AromaticContact CE1-CD1 3.97Å; Y68-Y98 HydrophobicContact CE1-CD1 3.97Å; Y68-Y98 HydrophobicContact CE1-CD2 4.48Å; Y68-Y98 HydrophobicContact CE1-CE1 4.25Å; Y68-Y98 HydrophobicContact CE1-CG 4.11Å; Y68-Y98 HydrophobicContact CE2-CD1 4.15Å; Y68-Y98 AromaticContact CE2-CG 3.9Å; Y68-Y98 HydrophobicContact CE2-CG 3.9Å; Y68-Y98 HydrophobicContact CG-CD1 4.25Å; Y68-Y98 AromaticContact CG-CD2 3.52Å; Y68-Y98 HydrophobicContact CG-CD2 3.52Å; Y68-Y98 HydrophobicContact CG-CE2 4.22Å; Y68-Y98 AromaticContact CG-CG 3.54Å; Y68-Y98 HydrophobicContact CG-CG 3.54Å; Y68-Y98 AromaticContact CZ-CD1 3.97Å
69	R	96	Very high	95.7	Very high	143 Å²	143	63.5 Å²	63.5	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-58.3	-43.4	178.8	-71.2	-171.6	-58.1	-91.4	3.5	112.7	K65 K66 K67 L73	K65-R69 WeakPolarHBondContact O-CG 3.46Å; K65-R69 PolarHBondContact O-N 2.71Å; K65-R69 VanDerWaalsContact O-N 3.12Å; K65-R69 PolarHBondContact O-NH1 3.28Å; K66-R69 PolarHBondContact O-N 3.5Å; K67-R69 PolarHBondContact O-N 2.83Å; R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 3.36Å; R69-L73 VanDerWaalsContact O-N 3.14Å
70	Q	94.1	Very high	95.6	Very high	90 Å²	90	63 Å²	63	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-51.8	178	-72.4	176.4	-26.2	0	0	111.5	K66 K67 Y68 L73 L74	K66-Q70 WeakPolarHBondContact O-CG 3.32Å; K66-Q70 PolarHBondContact O-N 2.96Å; K66-Q70 VanDerWaalsContact O-N 3.08Å; K67-Q70 PolarHBondContact O-N 3.45Å; Y68-Q70 VanDerWaalsContact C-N 3.33Å; Y68-Q70 PolarHBondContact O-N 3.34Å; Q70-L73 PolarHBondContact O-N 2.85Å; Q70-L74 WeakPolarHBondContact O-CG 3.33Å; Q70-L74 PolarHBondContact O-N 3.34Å; Q70-L74 VanDerWaalsContact O-N 3.1Å
71	L	95.6	Very high	95.5	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-43.6	179.9	-74.7	171.4	0	0	0	112	Q33 L53 K67 Y68 L73 L74 V75 V94	Q33-L71 VanDerWaalsContact CD-CD2 3.44Å; Q33-L71 HydrophobicContact CG-CD2 4.15Å; L53-L71 HydrophobicContact CB-CD1 4.5Å; L53-L71 HydrophobicContact CD2-CD1 4.19Å; L53-L71 WeakPolarHBondContact O-CD1 3.39Å; K67-L71 WeakPolarHBondContact O-CB 3.15Å; K67-L71 WeakPolarHBondContact O-CG 3.43Å; K67-L71 PolarHBondContact O-N 3.4Å; Y68-L71 PolarHBondContact O-N 3.41Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 2.97Å; L71-L74 PolarHBondContact O-N 3.18Å; L71-L74 VanDerWaalsContact O-N 3.1Å; L71-V75 WeakPolarHBondContact O-CG2 3.33Å; L71-V75 PolarHBondContact O-N 3.16Å; L71-V94 HydrophobicContact CB-CG1 3.97Å; L71-V94 HydrophobicContact CB-CG2 4.21Å
72	S	96.3	Very high	95.5	Very high	12 Å²	12	68.8 Å²	68.8	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-55.5	-43.3	176.5	-76	0	0	0	0	112.1	Y68 H76	Y68-S72 WeakPolarHBondContact CD2-OG 3.39Å; Y68-S72 WeakPolarHBondContact CE2-OG 3.49Å; Y68-S72 VanDerWaalsContact O-CB 3.22Å; Y68-S72 WeakPolarHBondContact O-CB 3.4Å; Y68-S72 PolarHBondContact O-N 2.95Å; Y68-S72 PolarHBondContact O-OG 3.47Å; Y68-S72 VanDerWaalsContact O-OG 3.09Å; S72-H76 VanDerWaalsContact O-CB 3.29Å; S72-H76 WeakPolarHBondContact O-CB 3.46Å; S72-H76 PolarHBondContact O-N 3.23Å
73	L	93.7	Very high	95.3	Very high	117 Å²	117	66.5 Å²	66.5	61%	0.613	32%	0.324	S	S	*	.	H	α-helix	trans	-66.7	-41	175.9	-72.3	171.1	0	0	0	112.2	R69 Q70 L71	R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 3.36Å; R69-L73 VanDerWaalsContact O-N 3.14Å; Q70-L73 PolarHBondContact O-N 2.85Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 2.97Å
74	L	92.4	Very high	95.3	Very high	46 Å²	46	67.5 Å²	67.5	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-39.7	179.5	-70.8	171	0	0	0	112.2	P30 Q33 Q70 L71 N80	P30-L74 WeakPolarHBondContact CB-O 3.21Å; P30-L74 HydrophobicContact CG-CD2 3.85Å; Q33-L74 HydrophobicContact CG-CD1 4.34Å; Q70-L74 WeakPolarHBondContact O-CG 3.33Å; Q70-L74 PolarHBondContact O-N 3.34Å; Q70-L74 VanDerWaalsContact O-N 3.1Å; L71-L74 PolarHBondContact O-N 3.18Å; L71-L74 VanDerWaalsContact O-N 3.1Å; L74-N80 PolarHBondContact O-ND2 3.11Å
75	V	95.7	Very high	95.3	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-101.3	5.2	-174.9	-50.2	0	0	0	0	113.9	Q33 I34 L37 L71 S87 A90 F91 V94	Q33-V75 HydrophobicContact CB-CG1 3.78Å; I34-V75 HydrophobicContact CG1-CB 4.16Å; I34-V75 HydrophobicContact CG1-CG1 4.08Å; L37-V75 HydrophobicContact CD1-CG1 4.2Å; L71-V75 WeakPolarHBondContact O-CG2 3.33Å; L71-V75 PolarHBondContact O-N 3.16Å; V75-S87 CarbonylContact O-C 3.25Å; V75-S87 WeakPolarHBondContact O-CB 3.33Å; V75-S87 VanDerWaalsContact O-O 3.1Å; V75-A90 HydrophobicContact CB-CB 4.04Å; V75-A90 HydrophobicContact CG1-CB 4.34Å; V75-A90 HydrophobicContact CG2-CB 4.33Å; V75-F91 HydrophobicContact CG2-CB 3.96Å; V75-F91 HydrophobicContact CG2-CD2 4.23Å; V75-V94 HydrophobicContact CG2-CG2 4.24Å
76	H	96.3	Very high	95.4	Very high	72 Å²	72	76.7 Å²	76.7	33%	0.333	37%	0.368	S	S	.	.			trans	-65.5	136.6	-178.4	-164.4	-88.8	0	0	0	111.2	S72 D78 K79 N80 F91	S72-H76 VanDerWaalsContact O-CB 3.29Å; S72-H76 WeakPolarHBondContact O-CB 3.46Å; S72-H76 PolarHBondContact O-N 3.23Å; H76-D78 VanDerWaalsContact C-N 3.29Å; H76-D78 WeakPolarHBondContact ND1-CB 3.39Å; H76-D78 PolarHBondContact ND1-N 3Å; H76-D78 PolarHBondContact O-N 2.7Å; H76-K79 HydrophobicContact CB-CG 4.41Å; H76-K79 PolarHBondContact O-N 3.21Å; H76-N80 PolarHBondContact O-N 3.13Å; H76-N80 PolarHBondContact O-ND2 2.67Å; H76-F91 AromaticContact CD2-CE2 3.79Å
77	P	96.9	Very high	95.4	Very high	21 Å²	21	71.4 Å²	71.4	14%	0.136	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-59.2	-34.5	179.9	21.8	-33.7	0	0	0	113.8	K79 N80 I84	P77-K79 PolarHBondContact O-N 3.43Å; P77-N80 CarbonylContact O-C 3.46Å; P77-N80 VanDerWaalsContact O-C 3.25Å; P77-N80 PolarHBondContact O-N 2.75Å; P77-N80 VanDerWaalsContact O-N 3.14Å; P77-I84 HydrophobicContact CB-CG2 3.97Å
78	D	95.8	Very high	95.5	Very high	107 Å²	107	71.9 Å²	71.9	57%	0.572	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57.5	-34	173	-177.7	71.1	0	0	0	113.4	H76	H76-D78 VanDerWaalsContact C-N 3.29Å; H76-D78 WeakPolarHBondContact ND1-CB 3.39Å; H76-D78 PolarHBondContact ND1-N 3Å; H76-D78 PolarHBondContact O-N 2.7Å
79	K	91.9	Very high	95.6	Very high	128 Å²	128	75 Å²	75	56%	0.557	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-89.4	-9	-179.2	-60.2	-54.6	177	-140.3	0	113.3	H76 P77 P81	H76-K79 HydrophobicContact CB-CG 4.41Å; H76-K79 PolarHBondContact O-N 3.21Å; P77-K79 PolarHBondContact O-N 3.43Å; K79-P81 VanDerWaalsContact C-CD 3.42Å
80	N	93.9	Very high	95.6	Very high	12 Å²	12	68.2 Å²	68.2	6%	0.064	34%	0.337	C	S	.	.			trans	-131.3	60.2	-177.9	-58.8	-83.3	0	0	0	109.7	P30 I34 L74 H76 P77 D82 D83 I84 S87	P30-N80 VanDerWaalsContact CB-OD1 3.32Å; P30-N80 WeakPolarHBondContact CB-OD1 3.47Å; I34-N80 HydrophobicContact CD1-CB 4.26Å; L74-N80 PolarHBondContact O-ND2 3.11Å; H76-N80 PolarHBondContact O-N 3.13Å; H76-N80 PolarHBondContact O-ND2 2.67Å; P77-N80 CarbonylContact O-C 3.46Å; P77-N80 VanDerWaalsContact O-C 3.25Å; P77-N80 PolarHBondContact O-N 2.75Å; P77-N80 VanDerWaalsContact O-N 3.14Å; N80-D82 PolarHBondContact O-N 2.87Å; N80-D82 VanDerWaalsContact O-N 3.17Å; N80-D83 CarbonylContact O-C 3.46Å; N80-D83 PolarHBondContact O-N 2.95Å; N80-I84 PolarHBondContact O-N 3.44Å; N80-S87 WeakPolarHBondContact CB-OG 3.4Å
81	P	94.1	Very high	95.8	Very high	94 Å²	94	65.9 Å²	65.9	61%	0.61	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.7	-173.7	28.4	-36.7	0	0	0	113.6	K79 D83	K79-P81 VanDerWaalsContact C-CD 3.42Å; P81-D83 VanDerWaalsContact C-N 3.33Å
82	D	95.5	Very high	96	Very high	143 Å²	143	70.6 Å²	70.6	77%	0.765	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.3	174.4	60	-46	0	0	0	113.5	N80	N80-D82 PolarHBondContact O-N 2.87Å; N80-D82 VanDerWaalsContact O-N 3.17Å
83	D	94	Very high	96	Very high	20 Å²	20	70.9 Å²	70.9	11%	0.107	35%	0.351	C	S	.	.	S	Bend	trans	-145	44.5	-172.4	-161.5	13.5	0	0	0	113	N80 P81 E85 R86 S87	N80-D83 CarbonylContact O-C 3.46Å; N80-D83 PolarHBondContact O-N 2.95Å; P81-D83 VanDerWaalsContact C-N 3.33Å; D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 PolarHBondContact O-N 3.43Å; D83-R86 PolarHBondContact O-N 2.92Å; D83-R86 VanDerWaalsContact OD1-CB 3.27Å; D83-R86 WeakPolarHBondContact OD1-CB 3.37Å; D83-R86 WeakPolarHBondContact OD1-CG 3.48Å; D83-R86 IonicContact OD1-CZ 3.55Å; D83-R86 IonicContact OD1-NE 2.62Å; D83-R86 PolarHBondContact OD1-NE 3.41Å; D83-R86 IonicContact OD1-NH2 3.02Å; D83-R86 PolarHBondContact OD1-NH2 3.46Å; D83-R86 IonicContact OD2-CZ 3.83Å; D83-R86 IonicContact OD2-NE 3.51Å; D83-R86 PolarHBondContact OD2-NE 2.91Å; D83-R86 IonicContact OD2-NH1 2.76Å; D83-R86 IonicContact OD2-NH2 3.47Å; D83-R86 PolarHBondContact OD2-NH2 2.86Å; D83-S87 WeakPolarHBondContact O-CB 3.4Å; D83-S87 PolarHBondContact O-N 3.47Å; D83-S87 PolarHBondContact O-OG 3.41Å
84	I	96.7	Very high	96.3	Very high	100 Å²	100	65.3 Å²	65.3	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-54.4	-46.1	-171.2	-63	173.4	0	0	0	111.9	P77 N80 S87 Q88	P77-I84 HydrophobicContact CB-CG2 3.97Å; N80-I84 PolarHBondContact O-N 3.44Å; I84-S87 PolarHBondContact O-N 2.9Å; I84-Q88 VanDerWaalsContact O-CB 3.3Å; I84-Q88 WeakPolarHBondContact O-CB 3.39Å; I84-Q88 PolarHBondContact O-N 3.19Å
85	E	97.2	Very high	96.6	Very high	170 Å²	170	64.9 Å²	64.9	79%	0.794	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-48.2	-176.4	-65.9	-174.7	174.6	0	0	112.8	D83 S87 Q88 K89	D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 PolarHBondContact O-N 3.43Å; E85-S87 VanDerWaalsContact C-N 3.33Å; E85-Q88 PolarHBondContact O-N 3.42Å; E85-K89 PolarHBondContact O-N 2.98Å; E85-K89 VanDerWaalsContact O-N 3.12Å
86	R	97.6	Very high	96.7	Very high	108 Å²	108	71.1 Å²	71.1	41%	0.408	35%	0.346	S	S	.	.	H	α-helix	trans	-70.2	-34.6	179.3	-63.3	-169.8	-73.8	157.7	2.7	111.2	I34 D35 N38 D83 K89 A90	I34-R86 HydrophobicContact CG2-CB 3.63Å; D35-R86 IonicContact OD1-NH1 3.36Å; D35-R86 PolarHBondContact OD1-NH1 3.38Å; N38-R86 PolarHBondContact ND2-O 3.32Å; D83-R86 PolarHBondContact O-N 2.92Å; D83-R86 VanDerWaalsContact OD1-CB 3.27Å; D83-R86 WeakPolarHBondContact OD1-CB 3.37Å; D83-R86 WeakPolarHBondContact OD1-CG 3.48Å; D83-R86 IonicContact OD1-CZ 3.55Å; D83-R86 IonicContact OD1-NE 2.62Å; D83-R86 PolarHBondContact OD1-NE 3.41Å; D83-R86 IonicContact OD1-NH2 3.02Å; D83-R86 PolarHBondContact OD1-NH2 3.46Å; D83-R86 IonicContact OD2-CZ 3.83Å; D83-R86 IonicContact OD2-NE 3.51Å; D83-R86 PolarHBondContact OD2-NE 2.91Å; D83-R86 IonicContact OD2-NH1 2.76Å; D83-R86 IonicContact OD2-NH2 3.47Å; D83-R86 PolarHBondContact OD2-NH2 2.86Å; R86-K89 PolarHBondContact O-N 3.44Å; R86-A90 WeakPolarHBondContact O-CB 3.22Å; R86-A90 PolarHBondContact O-N 2.96Å
87	S	97.4	Very high	96.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-46.1	174	-60.1	0	0	0	0	111.4	I34 V75 N80 D83 I84 E85 K89 A90 F91	I34-S87 VanDerWaalsContact CD1-OG 3.22Å; I34-S87 WeakPolarHBondContact CD1-OG 3.49Å; V75-S87 CarbonylContact O-C 3.25Å; V75-S87 WeakPolarHBondContact O-CB 3.33Å; V75-S87 VanDerWaalsContact O-O 3.1Å; N80-S87 WeakPolarHBondContact CB-OG 3.4Å; D83-S87 WeakPolarHBondContact O-CB 3.4Å; D83-S87 PolarHBondContact O-N 3.47Å; D83-S87 PolarHBondContact O-OG 3.41Å; I84-S87 PolarHBondContact O-N 2.9Å; E85-S87 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact O-N 3.28Å; S87-A90 PolarHBondContact O-N 3.5Å; S87-F91 VanDerWaalsContact O-CB 3.3Å; S87-F91 WeakPolarHBondContact O-CB 3.28Å; S87-F91 PolarHBondContact O-N 3.42Å
88	Q	98	Very high	96.9	Very high	74 Å²	74	68.3 Å²	68.3	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-48.4	175.5	-179.8	60.4	32.3	0	0	111.4	I84 E85 A90 F91 E92	I84-Q88 VanDerWaalsContact O-CB 3.3Å; I84-Q88 WeakPolarHBondContact O-CB 3.39Å; I84-Q88 PolarHBondContact O-N 3.19Å; E85-Q88 PolarHBondContact O-N 3.42Å; Q88-A90 PolarHBondContact O-N 3.38Å; Q88-F91 PolarHBondContact O-N 3.01Å; Q88-E92 PolarHBondContact NE2-OE1 3.24Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.4Å
89	K	97.7	Very high	97	Very high	112 Å²	112	69.3 Å²	69.3	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-41.8	177.3	-175	177.7	171.8	-175.5	0	112.8	N38 E85 R86 S87 E92 A93	N38-K89 VanDerWaalsContact OD1-CD 3.25Å; N38-K89 WeakPolarHBondContact OD1-CD 3.48Å; N38-K89 WeakPolarHBondContact OD1-CG 3.44Å; E85-K89 PolarHBondContact O-N 2.98Å; E85-K89 VanDerWaalsContact O-N 3.12Å; R86-K89 PolarHBondContact O-N 3.44Å; S87-K89 PolarHBondContact O-N 3.28Å; K89-E92 PolarHBondContact O-N 2.86Å; K89-A93 PolarHBondContact O-N 3.3Å; K89-A93 VanDerWaalsContact O-N 3.12Å
90	A	97.7	Very high	97.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-42.1	176.4	0	0	0	0	0	111.7	I34 L37 V75 R86 S87 Q88 E92 A93 V94	I34-A90 HydrophobicContact CB-CB 4.46Å; I34-A90 HydrophobicContact CG1-CB 4.17Å; I34-A90 HydrophobicContact CG2-CB 4.45Å; L37-A90 HydrophobicContact CB-CB 4Å; L37-A90 HydrophobicContact CD1-CB 3.83Å; V75-A90 HydrophobicContact CB-CB 4.04Å; V75-A90 HydrophobicContact CG1-CB 4.34Å; V75-A90 HydrophobicContact CG2-CB 4.33Å; R86-A90 WeakPolarHBondContact O-CB 3.22Å; R86-A90 PolarHBondContact O-N 2.96Å; S87-A90 PolarHBondContact O-N 3.5Å; Q88-A90 PolarHBondContact O-N 3.38Å; A90-E92 PolarHBondContact O-N 3.4Å; A90-A93 PolarHBondContact O-N 2.96Å; A90-V94 WeakPolarHBondContact O-CG2 3.49Å; A90-V94 PolarHBondContact O-N 3.5Å
91	F	98.1	Very high	97.5	Very high	42 Å²	42	64.7 Å²	64.7	18%	0.184	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-42.9	175.5	-176.6	-95.5	0	0	0	111.8	V75 H76 S87 Q88 A93 V94 N95	V75-F91 HydrophobicContact CG2-CB 3.96Å; V75-F91 HydrophobicContact CG2-CD2 4.23Å; H76-F91 AromaticContact CD2-CE2 3.79Å; S87-F91 VanDerWaalsContact O-CB 3.3Å; S87-F91 WeakPolarHBondContact O-CB 3.28Å; S87-F91 PolarHBondContact O-N 3.42Å; Q88-F91 PolarHBondContact O-N 3.01Å; F91-A93 VanDerWaalsContact C-N 3.34Å; F91-A93 PolarHBondContact O-N 3.39Å; F91-V94 PolarHBondContact O-N 2.9Å; F91-N95 VanDerWaalsContact O-CB 3.27Å; F91-N95 WeakPolarHBondContact O-CB 3.29Å; F91-N95 PolarHBondContact O-N 3.17Å
92	E	98.2	Very high	97.7	Very high	105 Å²	105	63.5 Å²	63.5	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-41.6	174.8	-75.6	171.4	-166.8	0	0	112.3	Q88 K89 A90 N95 K96	Q88-E92 PolarHBondContact NE2-OE1 3.24Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.4Å; K89-E92 PolarHBondContact O-N 2.86Å; A90-E92 PolarHBondContact O-N 3.4Å; E92-N95 PolarHBondContact O-N 2.97Å; E92-K96 VanDerWaalsContact O-CB 3.32Å; E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 PolarHBondContact O-N 3.03Å
93	A	98.2	Very high	97.8	Very high	17 Å²	17	60 Å²	60	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-47.3	175.7	0	0	0	0	0	111.8	L37 K89 A90 F91 N95 K96 A97	L37-A93 HydrophobicContact CD2-CB 4.42Å; K89-A93 PolarHBondContact O-N 3.3Å; K89-A93 VanDerWaalsContact O-N 3.12Å; A90-A93 PolarHBondContact O-N 2.96Å; F91-A93 VanDerWaalsContact C-N 3.34Å; F91-A93 PolarHBondContact O-N 3.39Å; A93-N95 VanDerWaalsContact C-N 3.34Å; A93-N95 PolarHBondContact O-N 3.21Å; A93-K96 PolarHBondContact O-N 3.41Å; A93-A97 WeakPolarHBondContact O-CB 3.43Å; A93-A97 PolarHBondContact O-N 3.44Å
94	V	98.4	Very high	97.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-43.8	176.2	170.2	0	0	0	0	111.2	L37 V52 L53 Y68 L71 V75 A90 F91 A97 Y98	L37-V94 HydrophobicContact CD1-CG2 3.62Å; V52-V94 HydrophobicContact CG1-CG2 4.22Å; L53-V94 HydrophobicContact CD2-CG1 3.92Å; Y68-V94 HydrophobicContact CD2-CG1 3.7Å; Y68-V94 HydrophobicContact CE2-CG1 4.03Å; L71-V94 HydrophobicContact CB-CG1 3.97Å; L71-V94 HydrophobicContact CB-CG2 4.21Å; V75-V94 HydrophobicContact CG2-CG2 4.24Å; A90-V94 WeakPolarHBondContact O-CG2 3.49Å; A90-V94 PolarHBondContact O-N 3.5Å; F91-V94 PolarHBondContact O-N 2.9Å; V94-A97 PolarHBondContact O-N 3.49Å; V94-Y98 PolarHBondContact O-N 3.38Å
95	N	98.5	Very high	98	Very high	38 Å²	38	63.7 Å²	63.7	20%	0.203	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-42.4	178.6	-168.2	42.5	0	0	0	112.6	Y68 F91 E92 A93 Y98 K99	Y68-N95 PolarHBondContact OH-OD1 3.03Å; Y68-N95 VanDerWaalsContact OH-OD1 3.06Å; F91-N95 VanDerWaalsContact O-CB 3.27Å; F91-N95 WeakPolarHBondContact O-CB 3.29Å; F91-N95 PolarHBondContact O-N 3.17Å; E92-N95 PolarHBondContact O-N 2.97Å; A93-N95 VanDerWaalsContact C-N 3.34Å; A93-N95 PolarHBondContact O-N 3.21Å; N95-Y98 PolarHBondContact O-N 2.84Å; N95-K99 WeakPolarHBondContact O-CG 3.36Å; N95-K99 PolarHBondContact O-N 3.34Å
96	K	98.3	Very high	98	Very high	130 Å²	130	57.9 Å²	57.9	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-48.9	175.2	-175.7	-179.8	178.2	-176.4	0	110.5	E92 A93 Y98 K99 T100	E92-K96 VanDerWaalsContact O-CB 3.32Å; E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 PolarHBondContact O-N 3.03Å; A93-K96 PolarHBondContact O-N 3.41Å; K96-Y98 VanDerWaalsContact C-N 3.34Å; K96-Y98 PolarHBondContact O-N 3.33Å; K96-K99 PolarHBondContact O-N 3.02Å; K96-T100 PolarHBondContact O-N 2.91Å; K96-T100 PolarHBondContact O-OG1 3.04Å
97	A	98.4	Very high	98	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-44	178.6	0	0	0	0	0	112.5	P49 V52 L53 A93 V94 T100 L101	P49-A97 HydrophobicContact CB-CB 3.78Å; V52-A97 HydrophobicContact CB-CB 3.68Å; V52-A97 HydrophobicContact CG1-CB 3.51Å; V52-A97 HydrophobicContact CG2-CB 4.29Å; L53-A97 HydrophobicContact CD1-CB 4.45Å; L53-A97 HydrophobicContact CD2-CB 4.43Å; L53-A97 HydrophobicContact CG-CB 4.04Å; A93-A97 WeakPolarHBondContact O-CB 3.43Å; A93-A97 PolarHBondContact O-N 3.44Å; V94-A97 PolarHBondContact O-N 3.49Å; A97-T100 PolarHBondContact O-N 3.22Å; A97-L101 PolarHBondContact O-N 3.22Å
98	Y	98.6	Very high	98	Very high	31 Å²	31	59.9 Å²	59.9	12%	0.122	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-48.3	175.7	173.6	-99.3	0	0	0	112.3	M61 I64 K65 Y68 V94 N95 K96 T100 L101 D102	M61-Y98 HydrophobicContact CE-CD2 4.34Å; M61-Y98 HydrophobicContact CE-CE2 3.62Å; I64-Y98 HydrophobicContact CG2-CD2 4.24Å; K65-Y98 VanDerWaalsContact CE-OH 3.28Å; K65-Y98 WeakPolarHBondContact CE-OH 3.46Å; K65-Y98 HydrophobicContact CG-CE2 3.69Å; Y68-Y98 HydrophobicContact CD1-CD1 4.11Å; Y68-Y98 AromaticContact CD1-CD2 3.79Å; Y68-Y98 HydrophobicContact CD1-CD2 3.79Å; Y68-Y98 HydrophobicContact CD1-CE1 4.38Å; Y68-Y98 HydrophobicContact CD1-CE2 4.05Å; Y68-Y98 AromaticContact CD1-CG 3.82Å; Y68-Y98 HydrophobicContact CD1-CG 3.82Å; Y68-Y98 HydrophobicContact CD2-CD1 4.28Å; Y68-Y98 HydrophobicContact CD2-CD2 4.05Å; Y68-Y98 AromaticContact CD2-CG 3.61Å; Y68-Y98 HydrophobicContact CD2-CG 3.61Å; Y68-Y98 AromaticContact CE1-CD1 3.97Å; Y68-Y98 HydrophobicContact CE1-CD1 3.97Å; Y68-Y98 HydrophobicContact CE1-CD2 4.48Å; Y68-Y98 HydrophobicContact CE1-CE1 4.25Å; Y68-Y98 HydrophobicContact CE1-CG 4.11Å; Y68-Y98 HydrophobicContact CE2-CD1 4.15Å; Y68-Y98 AromaticContact CE2-CG 3.9Å; Y68-Y98 HydrophobicContact CE2-CG 3.9Å; Y68-Y98 HydrophobicContact CG-CD1 4.25Å; Y68-Y98 AromaticContact CG-CD2 3.52Å; Y68-Y98 HydrophobicContact CG-CD2 3.52Å; Y68-Y98 HydrophobicContact CG-CE2 4.22Å; Y68-Y98 AromaticContact CG-CG 3.54Å; Y68-Y98 HydrophobicContact CG-CG 3.54Å; Y68-Y98 AromaticContact CZ-CD1 3.97Å; V94-Y98 PolarHBondContact O-N 3.38Å; N95-Y98 PolarHBondContact O-N 2.84Å; K96-Y98 VanDerWaalsContact C-N 3.34Å; K96-Y98 PolarHBondContact O-N 3.33Å; Y98-T100 VanDerWaalsContact C-N 3.28Å; Y98-T100 PolarHBondContact O-N 2.87Å; Y98-L101 PolarHBondContact O-N 2.99Å; Y98-D102 HydrophobicContact CE1-CB 4.05Å; Y98-D102 HydrophobicContact CE2-CB 4.4Å; Y98-D102 WeakPolarHBondContact O-CB 3.31Å; Y98-D102 PolarHBondContact O-N 3.17Å; Y98-D102 VanDerWaalsContact OH-CG 3.27Å; Y98-D102 PolarHBondContact OH-OD1 3.1Å; Y98-D102 PolarHBondContact OH-OD2 3.47Å
99	K	98.4	Very high	98	Very high	128 Å²	128	60.8 Å²	60.8	56%	0.557	30%	0.296	S	S	*	.	H	α-helix	trans	-58.9	-39.2	178.7	-73.8	178.2	178.6	-176.3	0	112.5	N95 K96 L101 D102 D103	N95-K99 WeakPolarHBondContact O-CG 3.36Å; N95-K99 PolarHBondContact O-N 3.34Å; K96-K99 PolarHBondContact O-N 3.02Å; K99-L101 VanDerWaalsContact C-N 3.29Å; K99-L101 PolarHBondContact O-N 3.42Å; K99-D102 PolarHBondContact O-N 3.09Å; K99-D103 PolarHBondContact O-N 3.09Å
100	T	98	Very high	98	Very high	39 Å²	39	55.9 Å²	55.9	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-31.5	175.5	-56.5	0	0	0	0	112.9	P49 K96 A97 Y98 T106 S107 C110	P49-T100 HydrophobicContact CG-CG2 4.44Å; K96-T100 PolarHBondContact O-N 2.91Å; K96-T100 PolarHBondContact O-OG1 3.04Å; A97-T100 PolarHBondContact O-N 3.22Å; Y98-T100 VanDerWaalsContact C-N 3.28Å; Y98-T100 PolarHBondContact O-N 2.87Å; T100-T106 CarbonylContact O-C 3.41Å; T100-T106 WeakPolarHBondContact O-CB 3.44Å; T100-T106 PolarHBondContact O-OG1 3.41Å; T100-S107 PolarHBondContact O-N 3.29Å; T100-S107 VanDerWaalsContact O-N 3.12Å; T100-C110 VanDerWaalsContact CG2-SG 3.56Å
101	L	98.2	Very high	98	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-91.1	-24.1	179.2	-65.8	-178.8	0	0	0	113.6	P49 Y50 L53 I64 A97 Y98 K99 S107 C110	P49-L101 HydrophobicContact CB-CD1 3.94Å; P49-L101 HydrophobicContact CB-CD2 4.16Å; P49-L101 HydrophobicContact CB-CG 3.81Å; P49-L101 HydrophobicContact CG-CD1 4.24Å; P49-L101 HydrophobicContact CG-CD2 3.68Å; P49-L101 HydrophobicContact CG-CG 3.92Å; Y50-L101 HydrophobicContact CD1-CD1 3.8Å; Y50-L101 HydrophobicContact CD1-CD2 4.28Å; Y50-L101 HydrophobicContact CE1-CD1 3.79Å; Y50-L101 HydrophobicContact CE1-CD2 3.59Å; Y50-L101 HydrophobicContact CE1-CG 4.37Å; Y50-L101 HydrophobicContact CE2-CD2 4.34Å; L53-L101 HydrophobicContact CD1-CD1 3.99Å; I64-L101 HydrophobicContact CD1-CB 4.45Å; I64-L101 HydrophobicContact CD1-CD1 4.09Å; I64-L101 HydrophobicContact CG2-CB 4.26Å; I64-L101 HydrophobicContact CG2-CD1 4.15Å; A97-L101 PolarHBondContact O-N 3.22Å; Y98-L101 PolarHBondContact O-N 2.99Å; K99-L101 VanDerWaalsContact C-N 3.29Å; K99-L101 PolarHBondContact O-N 3.42Å; L101-S107 WeakPolarHBondContact O-CB 3.28Å; L101-S107 PolarHBondContact O-OG 2.88Å; L101-C110 HydrophobicContact CD2-CB 4.21Å
102	D	97.8	Very high	98	Very high	69 Å²	69	63.6 Å²	63.6	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-76.3	-31	177.7	-161.6	43.7	0	0	0	111.9	M61 K65 Y98 K99	M61-D102 HydrophobicContact CE-CB 3.89Å; M61-D102 WeakPolarHBondContact CE-OD1 3.21Å; K65-D102 WeakPolarHBondContact CE-OD1 3.5Å; K65-D102 IonicContact NZ-OD1 2.93Å; Y98-D102 HydrophobicContact CE1-CB 4.05Å; Y98-D102 HydrophobicContact CE2-CB 4.4Å; Y98-D102 WeakPolarHBondContact O-CB 3.31Å; Y98-D102 PolarHBondContact O-N 3.17Å; Y98-D102 VanDerWaalsContact OH-CG 3.27Å; Y98-D102 PolarHBondContact OH-OD1 3.1Å; Y98-D102 PolarHBondContact OH-OD2 3.47Å; K99-D102 PolarHBondContact O-N 3.09Å
103	D	97.7	Very high	98	Very high	69 Å²	69	59.1 Å²	59.1	37%	0.369	29%	0.29	S	S	.	.	S	Bend	trans	-77.7	122.3	172.4	167.5	67.9	0	0	0	111.6	K99 E105 T106 S107	K99-D103 PolarHBondContact O-N 3.09Å; D103-E105 VanDerWaalsContact C-N 3.31Å; D103-E105 PolarHBondContact O-N 3.47Å; D103-E105 PolarHBondContact OD2-N 2.97Å; D103-T106 VanDerWaalsContact CB-OG1 3.29Å; D103-T106 WeakPolarHBondContact CB-OG1 3.46Å; D103-T106 PolarHBondContact O-N 3.01Å; D103-T106 PolarHBondContact O-OG1 3.47Å; D103-T106 WeakPolarHBondContact OD2-CB 3.45Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.31Å; D103-T106 PolarHBondContact OD2-N 3.02Å; D103-T106 PolarHBondContact OD2-OG1 3.44Å; D103-S107 WeakPolarHBondContact O-CB 3.41Å; D103-S107 PolarHBondContact O-N 3.35Å
104	P	97.3	Very high	98	Very high	102 Å²	102	58.4 Å²	58.4	66%	0.662	28%	0.284	S	S	*	.	H	α-helix	trans	-60.4	-33.1	-174.6	-25.9	34.8	0	0	0	115.1	R108	P104-R108 WeakPolarHBondContact O-CB 3.46Å; P104-R108 PolarHBondContact O-N 2.97Å; P104-R108 VanDerWaalsContact O-N 3.1Å
105	E	97.8	Very high	98	Very high	97 Å²	97	62.4 Å²	62.4	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-73	-49.1	-177.9	-166.6	-166.6	145.5	0	0	111.1	D103 R108 K109	D103-E105 VanDerWaalsContact C-N 3.31Å; D103-E105 PolarHBondContact O-N 3.47Å; D103-E105 PolarHBondContact OD2-N 2.97Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-K109 WeakPolarHBondContact O-CG 3.47Å; E105-K109 PolarHBondContact O-N 3.3Å; E105-K109 VanDerWaalsContact O-N 3.13Å; E105-K109 WeakPolarHBondContact OE1-CE 3.44Å; E105-K109 IonicContact OE1-NZ 3.72Å; E105-K109 PolarHBondContact OE1-NZ 3.14Å
106	T	97.4	Very high	97.9	Very high	47 Å²	47	65.2 Å²	65.2	29%	0.288	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-36.5	178.1	50.3	0	0	0	0	112	T100 D103 R108 K109 C110	T100-T106 CarbonylContact O-C 3.41Å; T100-T106 WeakPolarHBondContact O-CB 3.44Å; T100-T106 PolarHBondContact O-OG1 3.41Å; D103-T106 VanDerWaalsContact CB-OG1 3.29Å; D103-T106 WeakPolarHBondContact CB-OG1 3.46Å; D103-T106 PolarHBondContact O-N 3.01Å; D103-T106 PolarHBondContact O-OG1 3.47Å; D103-T106 WeakPolarHBondContact OD2-CB 3.45Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.31Å; D103-T106 PolarHBondContact OD2-N 3.02Å; D103-T106 PolarHBondContact OD2-OG1 3.44Å; T106-R108 VanDerWaalsContact C-N 3.35Å; T106-R108 PolarHBondContact O-N 3.1Å; T106-K109 PolarHBondContact O-N 3.02Å; T106-C110 PolarHBondContact O-N 3.28Å; T106-C110 PolarHBondContact O-SG 2.95Å; T106-C110 VanDerWaalsContact O-SG 3.41Å
107	S	97.3	Very high	97.9	Very high	19 Å²	19	59 Å²	59	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-43.4	172.4	-172.2	0	0	0	0	112	T100 L101 D103 C110 K111	T100-S107 PolarHBondContact O-N 3.29Å; T100-S107 VanDerWaalsContact O-N 3.12Å; L101-S107 WeakPolarHBondContact O-CB 3.28Å; L101-S107 PolarHBondContact O-OG 2.88Å; D103-S107 WeakPolarHBondContact O-CB 3.41Å; D103-S107 PolarHBondContact O-N 3.35Å; S107-C110 PolarHBondContact O-N 3.02Å; S107-K111 WeakPolarHBondContact O-CG 3.48Å; S107-K111 PolarHBondContact O-N 2.88Å
108	R	97.5	Very high	97.9	Very high	131 Å²	131	61.6 Å²	61.6	49%	0.494	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-47.3	174.1	-173.9	-176.7	66.6	-113.5	-0.5	111.7	P104 E105 T106 C110 K111 E112	P104-R108 WeakPolarHBondContact O-CB 3.46Å; P104-R108 PolarHBondContact O-N 2.97Å; P104-R108 VanDerWaalsContact O-N 3.1Å; E105-R108 PolarHBondContact O-N 3.45Å; T106-R108 VanDerWaalsContact C-N 3.35Å; T106-R108 PolarHBondContact O-N 3.1Å; R108-C110 VanDerWaalsContact C-N 3.31Å; R108-C110 PolarHBondContact O-N 2.91Å; R108-K111 WeakPolarHBondContact O-CB 3.47Å; R108-K111 PolarHBondContact O-N 2.95Å; R108-E112 IonicContact NE-OE1 2.83Å; R108-E112 WeakPolarHBondContact O-CG 3.49Å; R108-E112 PolarHBondContact O-N 3.15Å
109	K	97.8	Very high	97.9	Very high	93 Å²	93	64.8 Å²	64.8	40%	0.404	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-41.7	176.4	-69.2	174.3	-173.4	166.9	0	111.8	E105 T106 K111 E112 V113	E105-K109 WeakPolarHBondContact O-CG 3.47Å; E105-K109 PolarHBondContact O-N 3.3Å; E105-K109 VanDerWaalsContact O-N 3.13Å; E105-K109 WeakPolarHBondContact OE1-CE 3.44Å; E105-K109 IonicContact OE1-NZ 3.72Å; E105-K109 PolarHBondContact OE1-NZ 3.14Å; T106-K109 PolarHBondContact O-N 3.02Å; K109-K111 VanDerWaalsContact C-N 3.29Å; K109-K111 PolarHBondContact O-N 2.97Å; K109-E112 PolarHBondContact O-N 2.89Å; K109-V113 WeakPolarHBondContact O-CG2 3.45Å; K109-V113 PolarHBondContact O-N 3.39Å
110	C	98	Very high	97.9	Very high	9 Å²	9	61.4 Å²	61.4	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-36.3	175.3	-72.5	0	0	0	0	112.6	P49 Y50 T100 L101 T106 S107 R108 V114 F161	P49-C110 HydrophobicContact CG-CB 4.4Å; Y50-C110 HydrophobicContact CE2-CB 3.99Å; T100-C110 VanDerWaalsContact CG2-SG 3.56Å; L101-C110 HydrophobicContact CD2-CB 4.21Å; T106-C110 PolarHBondContact O-N 3.28Å; T106-C110 PolarHBondContact O-SG 2.95Å; T106-C110 VanDerWaalsContact O-SG 3.41Å; S107-C110 PolarHBondContact O-N 3.02Å; R108-C110 VanDerWaalsContact C-N 3.31Å; R108-C110 PolarHBondContact O-N 2.91Å; C110-V114 WeakPolarHBondContact O-CG2 3.39Å; C110-V114 PolarHBondContact O-N 2.76Å; C110-F161 HydrophobicContact CB-CE1 4.47Å; C110-F161 HydrophobicContact CB-CZ 4.1Å
111	K	97.6	Very high	97.8	Very high	102 Å²	102	59.8 Å²	59.8	44%	0.443	30%	0.295	S	S	.	.	H	α-helix	trans	-68.8	-43.1	174.2	-69.7	-177.9	178.7	-171.7	0	111.9	Y50 S107 R108 K109 V113 V114 E115	Y50-K111 WeakPolarHBondContact OH-CG 3.46Å; S107-K111 WeakPolarHBondContact O-CG 3.48Å; S107-K111 PolarHBondContact O-N 2.88Å; R108-K111 WeakPolarHBondContact O-CB 3.47Å; R108-K111 PolarHBondContact O-N 2.95Å; K109-K111 VanDerWaalsContact C-N 3.29Å; K109-K111 PolarHBondContact O-N 2.97Å; K111-V113 VanDerWaalsContact C-N 3.26Å; K111-V113 PolarHBondContact O-N 3.47Å; K111-V114 PolarHBondContact O-N 3.05Å; K111-E115 WeakPolarHBondContact O-CG 3.28Å; K111-E115 PolarHBondContact O-N 3.22Å
112	E	98.1	Very high	97.8	Very high	103 Å²	103	64 Å²	64	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-55.3	-42.7	175.4	-69.8	164.7	-176.7	0	0	111.2	R108 K109 V114 E115 E116	R108-E112 IonicContact NE-OE1 2.83Å; R108-E112 WeakPolarHBondContact O-CG 3.49Å; R108-E112 PolarHBondContact O-N 3.15Å; K109-E112 PolarHBondContact O-N 2.89Å; E112-V114 PolarHBondContact O-N 3.5Å; E112-E115 PolarHBondContact O-N 3.07Å; E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 PolarHBondContact O-N 2.91Å
113	V	98.1	Very high	97.8	Very high	10 Å²	10	66 Å²	66	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-40.2	175.3	174.7	0	0	0	0	112.7	K109 K111 A117 L160 F161 L164	K109-V113 WeakPolarHBondContact O-CG2 3.45Å; K109-V113 PolarHBondContact O-N 3.39Å; K111-V113 VanDerWaalsContact C-N 3.26Å; K111-V113 PolarHBondContact O-N 3.47Å; V113-A117 WeakPolarHBondContact O-CB 3.32Å; V113-A117 PolarHBondContact O-N 2.87Å; V113-L160 HydrophobicContact CG1-CB 3.71Å; V113-L160 HydrophobicContact CG1-CD1 4.31Å; V113-L160 WeakPolarHBondContact O-CD1 3.47Å; V113-F161 HydrophobicContact CB-CE1 4.26Å; V113-F161 HydrophobicContact CB-CE2 4.26Å; V113-F161 HydrophobicContact CB-CZ 3.98Å; V113-F161 HydrophobicContact CG1-CD1 4.23Å; V113-F161 HydrophobicContact CG1-CD2 3.78Å; V113-F161 HydrophobicContact CG1-CE1 4.12Å; V113-F161 HydrophobicContact CG1-CE2 3.66Å; V113-F161 HydrophobicContact CG1-CG 4.06Å; V113-F161 HydrophobicContact CG1-CZ 3.83Å; V113-F161 HydrophobicContact CG2-CE1 4.3Å; V113-F161 HydrophobicContact CG2-CZ 4.5Å; V113-L164 HydrophobicContact CG2-CD1 3.37Å
114	V	98.1	Very high	97.7	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-69.1	-41.8	178.2	170.7	0	0	0	0	111.1	Y50 P57 C110 K111 E112 A117 K118 T157	Y50-V114 HydrophobicContact CD2-CG2 4.07Å; Y50-V114 HydrophobicContact CE2-CG2 3.83Å; P57-V114 HydrophobicContact CB-CB 4.38Å; P57-V114 HydrophobicContact CB-CG1 3.77Å; P57-V114 HydrophobicContact CB-CG2 4.08Å; P57-V114 HydrophobicContact CG-CG1 3.92Å; P57-V114 HydrophobicContact CG-CG2 4.1Å; C110-V114 WeakPolarHBondContact O-CG2 3.39Å; C110-V114 PolarHBondContact O-N 2.76Å; K111-V114 PolarHBondContact O-N 3.05Å; E112-V114 PolarHBondContact O-N 3.5Å; V114-A117 WeakPolarHBondContact O-CB 3.41Å; V114-A117 PolarHBondContact O-N 3.15Å; V114-K118 WeakPolarHBondContact O-CG 3.4Å; V114-K118 PolarHBondContact O-N 3.43Å; V114-T157 HydrophobicContact CG2-CG2 3.88Å
115	E	98.2	Very high	97.7	Very high	84 Å²	84	61.9 Å²	61.9	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-43.1	176	-66.1	-51.1	124.1	0	0	111.4	K111 E112 A117 K118 D119	K111-E115 WeakPolarHBondContact O-CG 3.28Å; K111-E115 PolarHBondContact O-N 3.22Å; E112-E115 PolarHBondContact O-N 3.07Å; E115-A117 VanDerWaalsContact C-N 3.27Å; E115-A117 PolarHBondContact O-N 2.89Å; E115-K118 WeakPolarHBondContact O-CB 3.42Å; E115-K118 PolarHBondContact O-N 2.85Å; E115-K118 VanDerWaalsContact O-N 3.09Å; E115-K118 IonicContact OE1-NZ 2.7Å; E115-K118 PolarHBondContact OE1-NZ 2.94Å; E115-K118 IonicContact OE2-NZ 3.76Å; E115-D119 PolarHBondContact O-N 3.05Å
116	E	98.2	Very high	97.6	Very high	96 Å²	96	60.8 Å²	60.8	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-40.5	173.1	-174.5	-176.6	167.8	0	0	111.6	E112 K118 D119 L120 L160	E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 PolarHBondContact O-N 2.91Å; E116-K118 PolarHBondContact O-N 3.21Å; E116-D119 PolarHBondContact O-N 3.32Å; E116-L120 HydrophobicContact CG-CD1 4.2Å; E116-L120 WeakPolarHBondContact O-CB 3.43Å; E116-L120 VanDerWaalsContact O-CG 3.27Å; E116-L120 WeakPolarHBondContact O-CG 3.4Å; E116-L120 PolarHBondContact O-N 2.97Å; E116-L160 HydrophobicContact CB-CD1 3.87Å; E116-L160 HydrophobicContact CG-CD1 3.77Å
117	A	98	Very high	97.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-40.1	175.6	0	0	0	0	0	112.9	V113 V114 E115 V121 Q156 T157 L160	V113-A117 WeakPolarHBondContact O-CB 3.32Å; V113-A117 PolarHBondContact O-N 2.87Å; V114-A117 WeakPolarHBondContact O-CB 3.41Å; V114-A117 PolarHBondContact O-N 3.15Å; E115-A117 VanDerWaalsContact C-N 3.27Å; E115-A117 PolarHBondContact O-N 2.89Å; A117-V121 WeakPolarHBondContact O-CG2 3Å; A117-V121 PolarHBondContact O-N 2.88Å; A117-V121 VanDerWaalsContact O-N 3.11Å; A117-Q156 HydrophobicContact CB-CB 4.1Å; A117-Q156 HydrophobicContact CB-CG 3.94Å; A117-T157 WeakPolarHBondContact CB-OG1 3.48Å; A117-L160 HydrophobicContact CB-CD1 3.93Å
118	K	98.1	Very high	97.5	Very high	58 Å²	58	66.9 Å²	66.9	25%	0.252	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-46.8	174.9	-69.8	170.3	-178.8	172	0	110.5	D58 V114 E115 E116 L120 V121 E122 I153	D58-K118 IonicContact OD2-NZ 3.55Å; V114-K118 WeakPolarHBondContact O-CG 3.4Å; V114-K118 PolarHBondContact O-N 3.43Å; E115-K118 WeakPolarHBondContact O-CB 3.42Å; E115-K118 PolarHBondContact O-N 2.85Å; E115-K118 VanDerWaalsContact O-N 3.09Å; E115-K118 IonicContact OE1-NZ 2.7Å; E115-K118 PolarHBondContact OE1-NZ 2.94Å; E115-K118 IonicContact OE2-NZ 3.76Å; E116-K118 PolarHBondContact O-N 3.21Å; K118-L120 PolarHBondContact O-N 3.02Å; K118-V121 PolarHBondContact O-N 2.99Å; K118-E122 PolarHBondContact O-N 3.2Å; K118-I153 HydrophobicContact CG-CD1 4.27Å; K118-I153 HydrophobicContact CG-CG2 3.94Å
119	D	98.3	Very high	97.4	Very high	98 Å²	98	64.2 Å²	64.2	52%	0.524	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-43.3	179.3	-74.6	-17.4	0	0	0	112.3	E115 E116 V121 E122 Q123	E115-D119 PolarHBondContact O-N 3.05Å; E116-D119 PolarHBondContact O-N 3.32Å; D119-V121 VanDerWaalsContact C-N 3.35Å; D119-V121 PolarHBondContact O-N 3.49Å; D119-E122 PolarHBondContact O-N 3.36Å; D119-Q123 WeakPolarHBondContact O-CG 3.34Å; D119-Q123 PolarHBondContact O-N 3.3Å
120	L	97.5	Very high	97.3	Very high	58 Å²	58	66.8 Å²	66.8	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-39.3	177.4	-73.1	173.8	0	0	0	112.2	E116 K118 M124 Q156 L160	E116-L120 HydrophobicContact CG-CD1 4.2Å; E116-L120 WeakPolarHBondContact O-CB 3.43Å; E116-L120 VanDerWaalsContact O-CG 3.27Å; E116-L120 WeakPolarHBondContact O-CG 3.4Å; E116-L120 PolarHBondContact O-N 2.97Å; K118-L120 PolarHBondContact O-N 3.02Å; L120-M124 WeakPolarHBondContact O-CB 3.44Å; L120-M124 PolarHBondContact O-N 3.46Å; L120-Q156 HydrophobicContact CB-CG 3.91Å; L120-Q156 HydrophobicContact CD1-CG 4.03Å; L120-L160 HydrophobicContact CD1-CD1 4.1Å; L120-L160 HydrophobicContact CD1-CD2 4.01Å; L120-L160 HydrophobicContact CD1-CG 4.4Å
121	V	97.6	Very high	97.2	Very high	5 Å²	5	75.6 Å²	75.6	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-40.9	175.2	170.8	0	0	0	0	111.1	A117 K118 D119 M124 M125 A152 I153 Q156	A117-V121 WeakPolarHBondContact O-CG2 3Å; A117-V121 PolarHBondContact O-N 2.88Å; A117-V121 VanDerWaalsContact O-N 3.11Å; K118-V121 PolarHBondContact O-N 2.99Å; D119-V121 VanDerWaalsContact C-N 3.35Å; D119-V121 PolarHBondContact O-N 3.49Å; V121-M124 HydrophobicContact CG1-CE 4.26Å; V121-M124 WeakPolarHBondContact O-CB 3.28Å; V121-M124 PolarHBondContact O-N 2.97Å; V121-M125 HydrophobicContact CG1-CG 4.35Å; V121-M125 HydrophobicContact CG1-SD 4.04Å; V121-M125 WeakPolarHBondContact O-CB 3.48Å; V121-M125 VanDerWaalsContact O-CG 3.26Å; V121-M125 WeakPolarHBondContact O-CG 2.97Å; V121-M125 PolarHBondContact O-N 3.49Å; V121-A152 HydrophobicContact CG1-CB 3.93Å; V121-A152 HydrophobicContact CG2-CB 4.12Å; V121-I153 HydrophobicContact CB-CG1 4.06Å; V121-I153 HydrophobicContact CG1-CG1 4.06Å; V121-I153 HydrophobicContact CG2-CG1 4.04Å; V121-Q156 HydrophobicContact CG2-CB 3.92Å; V121-Q156 HydrophobicContact CG2-CG 4.39Å
122	E	97.3	Very high	97	Very high	92 Å²	92	72.7 Å²	72.7	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-44.6	176.6	-173.9	57	-145.4	0	0	111.3	K118 D119 M124 M125 I126	K118-E122 PolarHBondContact O-N 3.2Å; D119-E122 PolarHBondContact O-N 3.36Å; E122-M124 PolarHBondContact O-N 3.19Å; E122-M125 WeakPolarHBondContact O-CB 3.43Å; E122-M125 PolarHBondContact O-N 2.86Å; E122-I126 HydrophobicContact CG-CD1 4.25Å; E122-I126 WeakPolarHBondContact O-CG1 3.31Å; E122-I126 PolarHBondContact O-N 3.36Å
123	Q	97.4	Very high	96.9	Very high	111 Å²	111	74.2 Å²	74.2	52%	0.519	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-45.9	174.6	-70.9	175	17.4	0	0	111.8	D119 M125 I126 E127	D119-Q123 WeakPolarHBondContact O-CG 3.34Å; D119-Q123 PolarHBondContact O-N 3.3Å; Q123-M125 VanDerWaalsContact C-N 3.31Å; Q123-M125 PolarHBondContact O-N 2.86Å; Q123-I126 PolarHBondContact O-N 3.1Å; Q123-E127 WeakPolarHBondContact O-CG 3.29Å; Q123-E127 PolarHBondContact O-N 3.23Å
124	M	96.3	Very high	96.7	Very high	79 Å²	79	82.9 Å²	82.9	39%	0.389	38%	0.375	S	S	.	.	H	α-helix	trans	-57.7	-43.8	174.6	179.7	-161	70.3	0	0	111.4	L120 V121 E122 E127 K128 E143 A152	L120-M124 WeakPolarHBondContact O-CB 3.44Å; L120-M124 PolarHBondContact O-N 3.46Å; V121-M124 HydrophobicContact CG1-CE 4.26Å; V121-M124 WeakPolarHBondContact O-CB 3.28Å; V121-M124 PolarHBondContact O-N 2.97Å; E122-M124 PolarHBondContact O-N 3.19Å; M124-E127 PolarHBondContact O-N 3.38Å; M124-K128 VanDerWaalsContact O-CB 3.29Å; M124-K128 WeakPolarHBondContact O-CB 3.39Å; M124-K128 PolarHBondContact O-N 3.17Å; M124-E143 HydrophobicContact CE-CG 4.24Å; M124-A152 HydrophobicContact CE-CB 4.47Å
125	M	96.8	Very high	96.5	Very high	5 Å²	5	87.5 Å²	87.5	3%	0.025	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-45.2	177.3	-73.7	177.6	66.5	0	0	111.2	V121 E122 Q123 E127 K128 R129 I141 E143 R149	V121-M125 HydrophobicContact CG1-CG 4.35Å; V121-M125 HydrophobicContact CG1-SD 4.04Å; V121-M125 WeakPolarHBondContact O-CB 3.48Å; V121-M125 VanDerWaalsContact O-CG 3.26Å; V121-M125 WeakPolarHBondContact O-CG 2.97Å; V121-M125 PolarHBondContact O-N 3.49Å; E122-M125 WeakPolarHBondContact O-CB 3.43Å; E122-M125 PolarHBondContact O-N 2.86Å; Q123-M125 VanDerWaalsContact C-N 3.31Å; Q123-M125 PolarHBondContact O-N 2.86Å; M125-E127 PolarHBondContact O-N 2.86Å; M125-K128 PolarHBondContact O-N 3.38Å; M125-R129 VanDerWaalsContact O-CG 3.32Å; M125-R129 WeakPolarHBondContact O-CG 3.45Å; M125-R129 PolarHBondContact O-N 3.49Å; M125-I141 HydrophobicContact CB-CD1 3.61Å; M125-I141 HydrophobicContact CE-CD1 3.59Å; M125-I141 HydrophobicContact CG-CD1 3.67Å; M125-I141 HydrophobicContact SD-CD1 4.46Å; M125-E143 HydrophobicContact CE-CB 3.88Å; M125-E143 WeakPolarHBondContact CE-O 3.45Å; M125-E143 HydrophobicContact CG-CB 3.93Å; M125-E143 HydrophobicContact CG-CG 4.48Å; M125-E143 HydrophobicContact SD-CB 3.78Å; M125-R149 HydrophobicContact SD-CG 4.04Å
126	I	96.7	Very high	96.2	Very high	74 Å²	74	88.3 Å²	88.3	38%	0.379	41%	0.414	S	S	.	.	H	α-helix	trans	-58.2	-46.5	176.1	-68.6	165.4	0	0	0	111	E122 Q123 R129 K130	E122-I126 HydrophobicContact CG-CD1 4.25Å; E122-I126 WeakPolarHBondContact O-CG1 3.31Å; E122-I126 PolarHBondContact O-N 3.36Å; Q123-I126 PolarHBondContact O-N 3.1Å; I126-R129 PolarHBondContact O-N 3.37Å; I126-K130 HydrophobicContact CG2-CD 4.42Å; I126-K130 WeakPolarHBondContact O-CG 3.34Å; I126-K130 PolarHBondContact O-N 3.33Å; I126-K130 VanDerWaalsContact O-N 3.08Å
127	E	96.1	Very high	95.8	Very high	133 Å²	133	86.5 Å²	86.5	62%	0.621	42%	0.422	S	S	*	.	H	α-helix	trans	-65.9	-43.5	178.3	-70.8	-175.1	174.5	0	0	112.6	Q123 M124 M125 R129 K130 R131	Q123-E127 WeakPolarHBondContact O-CG 3.29Å; Q123-E127 PolarHBondContact O-N 3.23Å; M124-E127 PolarHBondContact O-N 3.38Å; M125-E127 PolarHBondContact O-N 2.86Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 2.98Å; E127-K130 WeakPolarHBondContact O-CB 3.25Å; E127-K130 PolarHBondContact O-N 2.87Å; E127-R131 PolarHBondContact O-N 2.92Å
128	K	95.8	Very high	95.3	Very high	61 Å²	61	88.8 Å²	88.8	27%	0.265	44%	0.438	S	S	.	.	H	α-helix	trans	-60.4	-44	177.1	-165	178.3	-177.2	-179.9	0	110.7	M124 M125 R131 I132 I141 E143	M124-K128 VanDerWaalsContact O-CB 3.29Å; M124-K128 WeakPolarHBondContact O-CB 3.39Å; M124-K128 PolarHBondContact O-N 3.17Å; M125-K128 PolarHBondContact O-N 3.38Å; K128-R131 PolarHBondContact O-N 2.84Å; K128-I132 HydrophobicContact CG-CD1 4.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.31Å; K128-I132 PolarHBondContact O-N 2.92Å; K128-I141 HydrophobicContact CB-CG2 4.1Å; K128-I141 HydrophobicContact CD-CB 4.26Å; K128-I141 HydrophobicContact CD-CG2 4.05Å; K128-I141 HydrophobicContact CG-CG2 3.83Å; K128-E143 WeakPolarHBondContact CD-OE2 3.49Å; K128-E143 IonicContact NZ-OE1 2.84Å; K128-E143 PolarHBondContact NZ-OE1 3.47Å; K128-E143 IonicContact NZ-OE2 3.75Å; K128-E143 PolarHBondContact NZ-OE2 3.39Å
129	R	95.6	Very high	94.8	Very high	74 Å²	74	91 Å²	91	28%	0.279	45%	0.451	S	S	.	.	H	α-helix	trans	-60.2	-45.9	174.2	-71.5	-174.2	-159.6	-83.9	6.4	112.2	M125 I126 E127 R131 I132 K133 I139 I141 D144	M125-R129 VanDerWaalsContact O-CG 3.32Å; M125-R129 WeakPolarHBondContact O-CG 3.45Å; M125-R129 PolarHBondContact O-N 3.49Å; I126-R129 PolarHBondContact O-N 3.37Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 2.98Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 3.43Å; R129-I132 PolarHBondContact O-N 3.34Å; R129-K133 VanDerWaalsContact O-CB 3.25Å; R129-K133 WeakPolarHBondContact O-CB 3.38Å; R129-K133 PolarHBondContact O-N 2.93Å; R129-I139 PolarHBondContact NH1-O 3.48Å; R129-I141 HydrophobicContact CB-CG2 4.47Å; R129-I141 HydrophobicContact CG-CD1 3.95Å; R129-I141 HydrophobicContact CG-CG1 4.12Å; R129-I141 HydrophobicContact CG-CG2 3.71Å; R129-D144 IonicContact CZ-OD1 3.89Å; R129-D144 IonicContact NH1-OD1 3.13Å; R129-D144 PolarHBondContact NH1-OD1 3.39Å; R129-D144 IonicContact NH1-OD2 2.6Å; R129-D144 PolarHBondContact NH1-OD2 2.72Å; R129-D144 VanDerWaalsContact NH1-OD2 3.13Å; R129-D144 IonicContact NH2-OD1 3.11Å; R129-D144 PolarHBondContact NH2-OD1 3.05Å
130	K	95.7	Very high	94.5	Very high	148 Å²	148	90.7 Å²	90.7	64%	0.643	45%	0.453	S	S	*	.	H	α-helix	trans	-58.3	-42.4	176.9	-73.8	173.7	-177	174	0	111.2	I126 E127 K134	I126-K130 HydrophobicContact CG2-CD 4.42Å; I126-K130 WeakPolarHBondContact O-CG 3.34Å; I126-K130 PolarHBondContact O-N 3.33Å; I126-K130 VanDerWaalsContact O-N 3.08Å; E127-K130 WeakPolarHBondContact O-CB 3.25Å; E127-K130 PolarHBondContact O-N 2.87Å; K130-K134 PolarHBondContact O-N 3.22Å
131	R	95.1	Very high	94.3	Very high	193 Å²	193	88.4 Å²	88.4	73%	0.728	44%	0.441	S	S	*	.	H	α-helix	trans	-66.2	-51	178.3	-175	178.1	173.6	-174.6	-2	112.2	E127 K128 R129 K133 K134 T135	E127-R131 PolarHBondContact O-N 2.92Å; K128-R131 PolarHBondContact O-N 2.84Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 3.43Å; R131-K133 PolarHBondContact O-N 2.82Å; R131-K134 PolarHBondContact O-N 3.36Å; R131-T135 PolarHBondContact O-N 2.98Å; R131-T135 VanDerWaalsContact O-N 3.13Å; R131-T135 PolarHBondContact O-OG1 2.93Å
132	I	94	Very high	94	Very high	41 Å²	41	93.2 Å²	93.2	21%	0.21	46%	0.463	C	S	.	.	H	α-helix	trans	-62.1	-43.5	-179.7	-65.2	-174.9	0	0	0	110.6	K128 R129 K134 T135 T136 S138 I141	K128-I132 HydrophobicContact CG-CD1 4.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.31Å; K128-I132 PolarHBondContact O-N 2.92Å; R129-I132 PolarHBondContact O-N 3.34Å; I132-K134 PolarHBondContact O-N 3.48Å; I132-T135 WeakPolarHBondContact CA-OG1 3.47Å; I132-T135 PolarHBondContact O-N 3.49Å; I132-T135 PolarHBondContact O-OG1 3Å; I132-T135 VanDerWaalsContact O-OG1 3.1Å; I132-T136 VanDerWaalsContact CG2-OG1 3.22Å; I132-T136 WeakPolarHBondContact CG2-OG1 3.46Å; I132-T136 PolarHBondContact O-N 2.9Å; I132-T136 PolarHBondContact O-OG1 3.32Å; I132-S138 CarbonylContact C-O 3.38Å; I132-S138 WeakPolarHBondContact CG2-O 3.43Å; I132-I141 HydrophobicContact CD1-CG2 3.73Å
133	K	95.1	Very high	93.9	Very high	136 Å²	136	89.8 Å²	89.8	59%	0.591	45%	0.447	S	S	*	.	H	α-helix	trans	-56.8	-39.6	176.6	-176.9	177.1	178.7	176.8	0	112.1	R129 R131 G137 S138 I139	R129-K133 VanDerWaalsContact O-CB 3.25Å; R129-K133 WeakPolarHBondContact O-CB 3.38Å; R129-K133 PolarHBondContact O-N 2.93Å; R131-K133 PolarHBondContact O-N 2.82Å; K133-G137 VanDerWaalsContact O-CA 3.25Å; K133-G137 WeakPolarHBondContact O-CA 3.41Å; K133-G137 PolarHBondContact O-N 3.48Å; K133-G137 VanDerWaalsContact O-N 3.12Å; K133-S138 WeakPolarHBondContact CA-O 3.39Å; K133-S138 PolarHBondContact N-O 2.97Å; K133-I139 HydrophobicContact CB-CG2 4.37Å; K133-I139 HydrophobicContact CD-CG2 4.1Å; K133-I139 HydrophobicContact CG-CG2 4.31Å
134	K	94.1	Very high	93.7	Very high	192 Å²	192	87.3 Å²	87.3	84%	0.835	44%	0.438	S	S	*	.	H	α-helix	trans	-69.6	-34.2	177.1	-173	177.8	178	-179.3	0	112.9	K130 R131 I132	K130-K134 PolarHBondContact O-N 3.22Å; R131-K134 PolarHBondContact O-N 3.36Å; I132-K134 PolarHBondContact O-N 3.48Å
135	T	93.9	Very high	93.7	Very high	100 Å²	100	86.7 Å²	86.7	61%	0.613	44%	0.436	S	S	*	.	H	α-helix	trans	-91	-38.5	-174	51.2	0	0	0	0	114.3	R131 I132	R131-T135 PolarHBondContact O-N 2.98Å; R131-T135 VanDerWaalsContact O-N 3.13Å; R131-T135 PolarHBondContact O-OG1 2.93Å; I132-T135 WeakPolarHBondContact CA-OG1 3.47Å; I132-T135 PolarHBondContact O-N 3.49Å; I132-T135 PolarHBondContact O-OG1 3Å; I132-T135 VanDerWaalsContact O-OG1 3.1Å
136	T	92.6	Very high	93.6	Very high	100 Å²	100	89.3 Å²	89.3	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-125.8	-3.9	-172.6	45	0	0	0	0	113.2	I132 S138	I132-T136 VanDerWaalsContact CG2-OG1 3.22Å; I132-T136 WeakPolarHBondContact CG2-OG1 3.46Å; I132-T136 PolarHBondContact O-N 2.9Å; I132-T136 PolarHBondContact O-OG1 3.32Å; T136-S138 PolarHBondContact O-N 3.2Å; T136-S138 VanDerWaalsContact O-N 3.13Å
137	G	89.3	Confident	93.4	Very high	59 Å²	59	91.8 Å²	91.8	61%	0.608	46%	0.463	S	S	*	.	S	Bend	trans	74.1	-10.6	-174.2	0	0	0	0	0	114.5	K133	K133-G137 VanDerWaalsContact O-CA 3.25Å; K133-G137 WeakPolarHBondContact O-CA 3.41Å; K133-G137 PolarHBondContact O-N 3.48Å; K133-G137 VanDerWaalsContact O-N 3.12Å
138	S	88.6	Confident	93.3	Very high	48 Å²	48	89.4 Å²	89.4	34%	0.336	45%	0.451	S	S	.	.			trans	-80.2	150.2	177.8	-176.4	0	0	0	0	111.8	I132 K133 T136 T140	I132-S138 CarbonylContact C-O 3.38Å; I132-S138 WeakPolarHBondContact CG2-O 3.43Å; K133-S138 WeakPolarHBondContact CA-O 3.39Å; K133-S138 PolarHBondContact N-O 2.97Å; T136-S138 PolarHBondContact O-N 3.2Å; T136-S138 VanDerWaalsContact O-N 3.13Å; S138-T140 PolarHBondContact OG-N 2.81Å
139	I	87.9	Confident	93.3	Very high	104 Å²	104	90.5 Å²	90.5	53%	0.533	45%	0.453	S	S	.	.			trans	-108.7	-3.5	173.7	60.6	168.5	0	0	0	112.8	R129 K133	R129-I139 PolarHBondContact NH1-O 3.48Å; K133-I139 HydrophobicContact CB-CG2 4.37Å; K133-I139 HydrophobicContact CD-CG2 4.1Å; K133-I139 HydrophobicContact CG-CG2 4.31Å
140	T	91.4	Very high	93.2	Very high	92 Å²	92	93.7 Å²	93.7	56%	0.564	47%	0.465	S	S	*	.			trans	-76.4	129.7	-178.2	-53.1	0	0	0	0	109.9	S138 D144	S138-T140 PolarHBondContact OG-N 2.81Å; T140-D144 WeakPolarHBondContact CA-OD2 3.46Å
141	I	93.6	Very high	93.1	Very high	9 Å²	9	92.3 Å²	92.3	5%	0.046	46%	0.461	C	S	.	.			trans	-119.9	165.3	175.1	53.4	167.4	0	0	0	109.6	M125 K128 R129 I132 E143 D144	M125-I141 HydrophobicContact CB-CD1 3.61Å; M125-I141 HydrophobicContact CE-CD1 3.59Å; M125-I141 HydrophobicContact CG-CD1 3.67Å; M125-I141 HydrophobicContact SD-CD1 4.46Å; K128-I141 HydrophobicContact CB-CG2 4.1Å; K128-I141 HydrophobicContact CD-CB 4.26Å; K128-I141 HydrophobicContact CD-CG2 4.05Å; K128-I141 HydrophobicContact CG-CG2 3.83Å; R129-I141 HydrophobicContact CB-CG2 4.47Å; R129-I141 HydrophobicContact CG-CD1 3.95Å; R129-I141 HydrophobicContact CG-CG1 4.12Å; R129-I141 HydrophobicContact CG-CG2 3.71Å; I132-I141 HydrophobicContact CD1-CG2 3.73Å; I141-E143 VanDerWaalsContact C-N 3.3Å; I141-E143 HydrophobicContact CD1-CB 4.37Å; I141-E143 PolarHBondContact O-N 3.33Å; I141-D144 PolarHBondContact N-OD2 2.86Å; I141-D144 WeakPolarHBondContact O-CB 3.37Å; I141-D144 PolarHBondContact O-N 2.95Å
142	E	91.6	Very high	93.1	Very high	106 Å²	106	84 Å²	84	50%	0.495	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-64.5	-38.5	-177.5	-149	-168.1	159	0	0	112.3	D144 D145 K148	E142-D144 PolarHBondContact O-N 3.45Å; E142-D145 WeakPolarHBondContact O-CB 3.34Å; E142-D145 PolarHBondContact O-N 3.36Å; E142-K148 HydrophobicContact CB-CD 4.46Å; E142-K148 HydrophobicContact CG-CD 3.55Å; E142-K148 WeakPolarHBondContact O-CD 3.32Å; E142-K148 WeakPolarHBondContact OE1-CD 3.35Å; E142-K148 WeakPolarHBondContact OE1-CE 3.45Å; E142-K148 IonicContact OE1-NZ 3.71Å; E142-K148 PolarHBondContact OE1-NZ 3.37Å
143	E	94.4	Very high	93.2	Very high	21 Å²	21	83.9 Å²	83.9	10%	0.098	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-79	4.2	-177.2	-57.5	79.4	-179.5	0	0	113	M124 M125 K128 I141 D145 R149 A152	M124-E143 HydrophobicContact CE-CG 4.24Å; M125-E143 HydrophobicContact CE-CB 3.88Å; M125-E143 WeakPolarHBondContact CE-O 3.45Å; M125-E143 HydrophobicContact CG-CB 3.93Å; M125-E143 HydrophobicContact CG-CG 4.48Å; M125-E143 HydrophobicContact SD-CB 3.78Å; K128-E143 WeakPolarHBondContact CD-OE2 3.49Å; K128-E143 IonicContact NZ-OE1 2.84Å; K128-E143 PolarHBondContact NZ-OE1 3.47Å; K128-E143 IonicContact NZ-OE2 3.75Å; K128-E143 PolarHBondContact NZ-OE2 3.39Å; I141-E143 VanDerWaalsContact C-N 3.3Å; I141-E143 HydrophobicContact CD1-CB 4.37Å; I141-E143 PolarHBondContact O-N 3.33Å; E143-D145 PolarHBondContact O-N 2.92Å; E143-R149 WeakPolarHBondContact O-CB 3.32Å; E143-R149 PolarHBondContact O-NH1 3.44Å; E143-A152 HydrophobicContact CG-CB 4.41Å
144	D	94	Very high	93.2	Very high	59 Å²	59	81 Å²	81	32%	0.316	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-60.5	-35.7	162.8	-76	-36.3	0	0	0	110.4	R129 T140 I141 E142 P146 R149	R129-D144 IonicContact CZ-OD1 3.89Å; R129-D144 IonicContact NH1-OD1 3.13Å; R129-D144 PolarHBondContact NH1-OD1 3.39Å; R129-D144 IonicContact NH1-OD2 2.6Å; R129-D144 PolarHBondContact NH1-OD2 2.72Å; R129-D144 VanDerWaalsContact NH1-OD2 3.13Å; R129-D144 IonicContact NH2-OD1 3.11Å; R129-D144 PolarHBondContact NH2-OD1 3.05Å; T140-D144 WeakPolarHBondContact CA-OD2 3.46Å; I141-D144 PolarHBondContact N-OD2 2.86Å; I141-D144 WeakPolarHBondContact O-CB 3.37Å; I141-D144 PolarHBondContact O-N 2.95Å; E142-D144 PolarHBondContact O-N 3.45Å; D144-P146 WeakPolarHBondContact O-CD 3.27Å; D144-R149 PolarHBondContact O-NH1 2.88Å
145	D	94.6	Very high	93.2	Very high	65 Å²	65	75.4 Å²	75.4	35%	0.348	40%	0.401	S	S	.	.	S	Bend	trans	-62.6	119.6	169.5	179.4	5.5	0	0	0	110.5	E142 E143 E147 K148 R149	E142-D145 WeakPolarHBondContact O-CB 3.34Å; E142-D145 PolarHBondContact O-N 3.36Å; E143-D145 PolarHBondContact O-N 2.92Å; D145-E147 PolarHBondContact O-N 3.44Å; D145-E147 VanDerWaalsContact O-N 3.16Å; D145-E147 PolarHBondContact OD1-N 3.43Å; D145-E147 VanDerWaalsContact OD1-N 3.13Å; D145-K148 HydrophobicContact CB-CB 4.23Å; D145-K148 HydrophobicContact CB-CD 4.13Å; D145-K148 HydrophobicContact CB-CG 4.1Å; D145-K148 PolarHBondContact O-N 2.87Å; D145-K148 WeakPolarHBondContact OD2-CG 3.35Å; D145-R149 PolarHBondContact O-N 2.91Å
146	P	95	Very high	93.3	Very high	61 Å²	61	72.5 Å²	72.5	40%	0.396	38%	0.38	S	S	.	.	H	α-helix	trans	-54	-33.7	179	-26.2	34.8	0	0	0	114.2	D144 R150	D144-P146 WeakPolarHBondContact O-CD 3.27Å; P146-R150 WeakPolarHBondContact O-CG 3.47Å; P146-R150 PolarHBondContact O-N 3.45Å
147	E	93	Very high	93.5	Very high	125 Å²	125	68 Å²	68	58%	0.584	35%	0.353	S	S	*	.	H	α-helix	trans	-68.8	-42.9	-178.7	-49.7	-140.8	124.1	0	0	111.6	D145 R150 H151	D145-E147 PolarHBondContact O-N 3.44Å; D145-E147 VanDerWaalsContact O-N 3.16Å; D145-E147 PolarHBondContact OD1-N 3.43Å; D145-E147 VanDerWaalsContact OD1-N 3.13Å; E147-R150 PolarHBondContact O-N 2.84Å; E147-R150 IonicContact OE1-NH2 3.92Å; E147-R150 PolarHBondContact OE1-NH2 2.88Å; E147-H151 PolarHBondContact O-N 3Å
148	K	94.5	Very high	93.7	Very high	84 Å²	84	66.1 Å²	66.1	37%	0.365	33%	0.329	S	S	.	.	H	α-helix	trans	-69.1	-36.5	177.9	-63.1	-174.1	-177	-167.9	0	111.7	E142 D145 H151 A152	E142-K148 HydrophobicContact CB-CD 4.46Å; E142-K148 HydrophobicContact CG-CD 3.55Å; E142-K148 WeakPolarHBondContact O-CD 3.32Å; E142-K148 WeakPolarHBondContact OE1-CD 3.35Å; E142-K148 WeakPolarHBondContact OE1-CE 3.45Å; E142-K148 IonicContact OE1-NZ 3.71Å; E142-K148 PolarHBondContact OE1-NZ 3.37Å; D145-K148 HydrophobicContact CB-CB 4.23Å; D145-K148 HydrophobicContact CB-CD 4.13Å; D145-K148 HydrophobicContact CB-CG 4.1Å; D145-K148 PolarHBondContact O-N 2.87Å; D145-K148 WeakPolarHBondContact OD2-CG 3.35Å; K148-H151 PolarHBondContact O-N 3.14Å; K148-A152 WeakPolarHBondContact O-CB 3.38Å; K148-A152 PolarHBondContact O-N 2.89Å
149	R	96	Very high	94.1	Very high	83 Å²	83	69.3 Å²	69.3	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-45.7	172	-169.3	166.3	59.9	-100.4	3.7	112	M125 E143 D144 D145 H151 A152 I153	M125-R149 HydrophobicContact SD-CG 4.04Å; E143-R149 WeakPolarHBondContact O-CB 3.32Å; E143-R149 PolarHBondContact O-NH1 3.44Å; D144-R149 PolarHBondContact O-NH1 2.88Å; D145-R149 PolarHBondContact O-N 2.91Å; R149-H151 VanDerWaalsContact C-N 3.29Å; R149-H151 PolarHBondContact O-N 2.97Å; R149-A152 PolarHBondContact O-N 3.26Å; R149-I153 HydrophobicContact CG-CD1 4.12Å; R149-I153 WeakPolarHBondContact O-CG1 3.3Å; R149-I153 PolarHBondContact O-N 2.92Å
150	R	94	Very high	94.5	Very high	141 Å²	141	65.1 Å²	65.1	53%	0.532	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-42.8	174	-73.3	-171.1	-52	-98.6	5.9	111.4	P146 E147 I153 Y154	P146-R150 WeakPolarHBondContact O-CG 3.47Å; P146-R150 PolarHBondContact O-N 3.45Å; E147-R150 PolarHBondContact O-N 2.84Å; E147-R150 IonicContact OE1-NH2 3.92Å; E147-R150 PolarHBondContact OE1-NH2 2.88Å; R150-I153 PolarHBondContact O-N 3.19Å; R150-Y154 WeakPolarHBondContact O-CB 3.38Å; R150-Y154 PolarHBondContact O-N 2.95Å
151	H	93.3	Very high	94.8	Very high	120 Å²	120	61.6 Å²	61.6	56%	0.556	29%	0.293	S	S	*	.	H	α-helix	trans	-63.6	-43.4	176.4	-175	68.4	0	0	0	112.4	E147 K148 R149 I153 Y154 V155	E147-H151 PolarHBondContact O-N 3Å; K148-H151 PolarHBondContact O-N 3.14Å; R149-H151 VanDerWaalsContact C-N 3.29Å; R149-H151 PolarHBondContact O-N 2.97Å; H151-I153 PolarHBondContact O-N 3.28Å; H151-Y154 WeakPolarHBondContact O-CB 3.32Å; H151-Y154 PolarHBondContact O-N 2.91Å; H151-V155 WeakPolarHBondContact O-CG2 3.5Å; H151-V155 PolarHBondContact O-N 2.95Å
152	A	95.3	Very high	94.9	Very high	18 Å²	18	62 Å²	62	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-44.9	175.8	0	0	0	0	0	111.7	V121 M124 E143 K148 R149 Y154 V155 Q156	V121-A152 HydrophobicContact CG1-CB 3.93Å; V121-A152 HydrophobicContact CG2-CB 4.12Å; M124-A152 HydrophobicContact CE-CB 4.47Å; E143-A152 HydrophobicContact CG-CB 4.41Å; K148-A152 WeakPolarHBondContact O-CB 3.38Å; K148-A152 PolarHBondContact O-N 2.89Å; R149-A152 PolarHBondContact O-N 3.26Å; A152-Y154 PolarHBondContact O-N 3.38Å; A152-V155 PolarHBondContact O-N 2.98Å; A152-Q156 WeakPolarHBondContact O-CB 3.49Å; A152-Q156 PolarHBondContact O-N 2.91Å
153	I	96.1	Very high	95.1	Very high	39 Å²	39	59.5 Å²	59.5	20%	0.2	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-44.6	175.9	-66.1	164.4	0	0	0	110.5	K118 V121 R149 R150 H151 V155 Q156 T157	K118-I153 HydrophobicContact CG-CD1 4.27Å; K118-I153 HydrophobicContact CG-CG2 3.94Å; V121-I153 HydrophobicContact CB-CG1 4.06Å; V121-I153 HydrophobicContact CG1-CG1 4.06Å; V121-I153 HydrophobicContact CG2-CG1 4.04Å; R149-I153 HydrophobicContact CG-CD1 4.12Å; R149-I153 WeakPolarHBondContact O-CG1 3.3Å; R149-I153 PolarHBondContact O-N 2.92Å; R150-I153 PolarHBondContact O-N 3.19Å; H151-I153 PolarHBondContact O-N 3.28Å; I153-V155 PolarHBondContact O-N 3.19Å; I153-Q156 PolarHBondContact O-N 2.98Å; I153-T157 VanDerWaalsContact O-CB 3.31Å; I153-T157 WeakPolarHBondContact O-CB 3.41Å; I153-T157 PolarHBondContact O-N 3.45Å; I153-T157 PolarHBondContact O-OG1 3.26Å
154	Y	94.7	Very high	95.1	Very high	76 Å²	76	62.6 Å²	62.6	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-49	176	165.4	-97.8	0	0	0	112	D51 R150 H151 A152 Q156 T157 C158	D51-Y154 HydrophobicContact CB-CE2 4.44Å; R150-Y154 WeakPolarHBondContact O-CB 3.38Å; R150-Y154 PolarHBondContact O-N 2.95Å; H151-Y154 WeakPolarHBondContact O-CB 3.32Å; H151-Y154 PolarHBondContact O-N 2.91Å; A152-Y154 PolarHBondContact O-N 3.38Å; Y154-Q156 VanDerWaalsContact C-N 3.35Å; Y154-Q156 PolarHBondContact O-N 3.43Å; Y154-T157 PolarHBondContact O-N 2.62Å; Y154-C158 PolarHBondContact O-N 3Å
155	V	94.3	Very high	95.1	Very high	74 Å²	74	62 Å²	62	45%	0.448	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-46.1	178.8	170.8	0	0	0	0	110.7	H151 A152 I153 C158 K159	H151-V155 WeakPolarHBondContact O-CG2 3.5Å; H151-V155 PolarHBondContact O-N 2.95Å; A152-V155 PolarHBondContact O-N 2.98Å; I153-V155 PolarHBondContact O-N 3.19Å; V155-C158 PolarHBondContact O-N 3.41Å; V155-K159 PolarHBondContact O-N 3.44Å
156	Q	96.2	Very high	95.1	Very high	39 Å²	39	64.7 Å²	64.7	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-39.3	179.3	-172.3	56.6	42.4	0	0	112	A117 L120 V121 A152 I153 Y154 K159 L160	A117-Q156 HydrophobicContact CB-CB 4.1Å; A117-Q156 HydrophobicContact CB-CG 3.94Å; L120-Q156 HydrophobicContact CB-CG 3.91Å; L120-Q156 HydrophobicContact CD1-CG 4.03Å; V121-Q156 HydrophobicContact CG2-CB 3.92Å; V121-Q156 HydrophobicContact CG2-CG 4.39Å; A152-Q156 WeakPolarHBondContact O-CB 3.49Å; A152-Q156 PolarHBondContact O-N 2.91Å; I153-Q156 PolarHBondContact O-N 2.98Å; Y154-Q156 VanDerWaalsContact C-N 3.35Å; Y154-Q156 PolarHBondContact O-N 3.43Å; Q156-K159 WeakPolarHBondContact O-CB 3.5Å; Q156-K159 PolarHBondContact O-N 2.79Å; Q156-L160 WeakPolarHBondContact O-CG 3.46Å; Q156-L160 PolarHBondContact O-N 2.94Å
157	T	96.5	Very high	95.1	Very high	6 Å²	6	66.8 Å²	66.8	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-49.9	175.5	-58.3	0	0	0	0	110.8	V114 A117 I153 Y154 K159 L160 F161	V114-T157 HydrophobicContact CG2-CG2 3.88Å; A117-T157 WeakPolarHBondContact CB-OG1 3.48Å; I153-T157 VanDerWaalsContact O-CB 3.31Å; I153-T157 WeakPolarHBondContact O-CB 3.41Å; I153-T157 PolarHBondContact O-N 3.45Å; I153-T157 PolarHBondContact O-OG1 3.26Å; Y154-T157 PolarHBondContact O-N 2.62Å; T157-K159 VanDerWaalsContact C-N 3.27Å; T157-K159 PolarHBondContact O-N 2.95Å; T157-L160 PolarHBondContact O-N 2.84Å; T157-F161 HydrophobicContact CG2-CD2 3.81Å; T157-F161 HydrophobicContact CG2-CE2 3.65Å; T157-F161 VanDerWaalsContact O-CD2 3.31Å; T157-F161 WeakPolarHBondContact O-CD2 3.5Å; T157-F161 PolarHBondContact O-N 2.97Å; T157-F161 VanDerWaalsContact O-N 3.09Å
158	C	93.3	Very high	95.2	Very high	18 Å²	18	66.4 Å²	66.4	12%	0.122	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-38.7	176.9	-74.8	0	0	0	0	112.2	Y154 V155 A162	Y154-C158 PolarHBondContact O-N 3Å; V155-C158 PolarHBondContact O-N 3.41Å; C158-A162 WeakPolarHBondContact O-CB 3.41Å; C158-A162 PolarHBondContact O-N 3.15Å; C158-A162 VanDerWaalsContact O-N 3.1Å
159	K	95.6	Very high	95.1	Very high	115 Å²	115	64.7 Å²	64.7	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-48.3	176.7	-176.3	-178.2	173.7	-172	0	111.8	V155 Q156 T157 F161 A162 D163	V155-K159 PolarHBondContact O-N 3.44Å; Q156-K159 WeakPolarHBondContact O-CB 3.5Å; Q156-K159 PolarHBondContact O-N 2.79Å; T157-K159 VanDerWaalsContact C-N 3.27Å; T157-K159 PolarHBondContact O-N 2.95Å; K159-F161 PolarHBondContact O-N 3.41Å; K159-A162 WeakPolarHBondContact O-CB 3.44Å; K159-A162 PolarHBondContact O-N 3.22Å; K159-D163 PolarHBondContact O-N 3.38Å
160	L	97.3	Very high	95	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-43.5	179.7	-69.9	178.6	0	0	0	112.3	V113 E116 A117 L120 Q156 T157 A162 D163 L164	V113-L160 HydrophobicContact CG1-CB 3.71Å; V113-L160 HydrophobicContact CG1-CD1 4.31Å; V113-L160 WeakPolarHBondContact O-CD1 3.47Å; E116-L160 HydrophobicContact CB-CD1 3.87Å; E116-L160 HydrophobicContact CG-CD1 3.77Å; A117-L160 HydrophobicContact CB-CD1 3.93Å; L120-L160 HydrophobicContact CD1-CD1 4.1Å; L120-L160 HydrophobicContact CD1-CD2 4.01Å; L120-L160 HydrophobicContact CD1-CG 4.4Å; Q156-L160 WeakPolarHBondContact O-CG 3.46Å; Q156-L160 PolarHBondContact O-N 2.94Å; T157-L160 PolarHBondContact O-N 2.84Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-A162 PolarHBondContact O-N 3.02Å; L160-D163 PolarHBondContact O-N 3.48Å; L160-L164 WeakPolarHBondContact O-CB 3.31Å; L160-L164 WeakPolarHBondContact O-CG 2.89Å; L160-L164 PolarHBondContact O-N 3.38Å
161	F	97.3	Very high	95.1	Very high	18 Å²	18	62.5 Å²	62.5	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-41.6	174.3	-84.1	-66	0	0	0	112.4	L47 N48 C110 V113 T157 K159 E165	L47-F161 HydrophobicContact CB-CB 3.95Å; N48-F161 HydrophobicContact CB-CD2 3.8Å; N48-F161 HydrophobicContact CB-CE2 4.07Å; N48-F161 HydrophobicContact CB-CG 4.48Å; C110-F161 HydrophobicContact CB-CE1 4.47Å; C110-F161 HydrophobicContact CB-CZ 4.1Å; V113-F161 HydrophobicContact CB-CE1 4.26Å; V113-F161 HydrophobicContact CB-CE2 4.26Å; V113-F161 HydrophobicContact CB-CZ 3.98Å; V113-F161 HydrophobicContact CG1-CD1 4.23Å; V113-F161 HydrophobicContact CG1-CD2 3.78Å; V113-F161 HydrophobicContact CG1-CE1 4.12Å; V113-F161 HydrophobicContact CG1-CE2 3.66Å; V113-F161 HydrophobicContact CG1-CG 4.06Å; V113-F161 HydrophobicContact CG1-CZ 3.83Å; V113-F161 HydrophobicContact CG2-CE1 4.3Å; V113-F161 HydrophobicContact CG2-CZ 4.5Å; T157-F161 HydrophobicContact CG2-CD2 3.81Å; T157-F161 HydrophobicContact CG2-CE2 3.65Å; T157-F161 VanDerWaalsContact O-CD2 3.31Å; T157-F161 WeakPolarHBondContact O-CD2 3.5Å; T157-F161 PolarHBondContact O-N 2.97Å; T157-F161 VanDerWaalsContact O-N 3.09Å; K159-F161 PolarHBondContact O-N 3.41Å; F161-E165 PolarHBondContact O-N 3.18Å; F161-E165 VanDerWaalsContact O-N 3.09Å
162	A	95.2	Very high	95.2	Very high	17 Å²	17	61.2 Å²	61.2	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-41.2	176.7	0	0	0	0	0	112.3	Y44 C158 K159 L160 E165 R166	Y44-A162 HydrophobicContact CD1-CB 3.72Å; Y44-A162 HydrophobicContact CE1-CB 4.45Å; Y44-A162 HydrophobicContact CG-CB 4.34Å; C158-A162 WeakPolarHBondContact O-CB 3.41Å; C158-A162 PolarHBondContact O-N 3.15Å; C158-A162 VanDerWaalsContact O-N 3.1Å; K159-A162 WeakPolarHBondContact O-CB 3.44Å; K159-A162 PolarHBondContact O-N 3.22Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-A162 PolarHBondContact O-N 3.02Å; A162-E165 PolarHBondContact O-N 3.4Å; A162-R166 WeakPolarHBondContact O-CG 3.42Å; A162-R166 PolarHBondContact O-N 3.12Å
163	D	95.4	Very high	95.2	Very high	53 Å²	53	66.1 Å²	66.1	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-40.6	177.7	-73.1	-24.6	0	0	0	111.3	K159 L160 R166 L167	K159-D163 PolarHBondContact O-N 3.38Å; L160-D163 PolarHBondContact O-N 3.48Å; D163-R166 PolarHBondContact O-N 2.87Å; D163-R166 IonicContact OD1-NH1 2.67Å; D163-R166 PolarHBondContact OD1-NH1 3.34Å; D163-L167 WeakPolarHBondContact O-CG 3.43Å; D163-L167 PolarHBondContact O-N 3.05Å
164	L	95	Very high	95.2	Very high	86 Å²	86	69.7 Å²	69.7	45%	0.45	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-42.5	174.4	-73.4	174.5	0	0	0	112.9	V113 L160 R166 L167 R168	V113-L164 HydrophobicContact CG2-CD1 3.37Å; L160-L164 WeakPolarHBondContact O-CB 3.31Å; L160-L164 WeakPolarHBondContact O-CG 2.89Å; L160-L164 PolarHBondContact O-N 3.38Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-L167 PolarHBondContact O-N 3.39Å; L164-R168 WeakPolarHBondContact O-CB 3.12Å; L164-R168 PolarHBondContact O-N 3.23Å
165	E	94	Very high	95.3	Very high	46 Å²	46	69.6 Å²	69.6	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-38.5	176.9	-179.3	62.3	-170.3	0	0	111.5	L47 F161 A162 R168 V169	L47-E165 HydrophobicContact CD1-CB 3.55Å; L47-E165 HydrophobicContact CD1-CG 4Å; L47-E165 HydrophobicContact CD2-CB 4.05Å; L47-E165 HydrophobicContact CD2-CG 3.92Å; L47-E165 HydrophobicContact CG-CB 4.46Å; F161-E165 PolarHBondContact O-N 3.18Å; F161-E165 VanDerWaalsContact O-N 3.09Å; A162-E165 PolarHBondContact O-N 3.4Å; E165-R168 WeakPolarHBondContact O-CB 2.99Å; E165-R168 PolarHBondContact O-N 3.29Å; E165-R168 IonicContact OE1-CZ 3.32Å; E165-R168 IonicContact OE1-NE 3.11Å; E165-R168 PolarHBondContact OE1-NE 3.46Å; E165-R168 IonicContact OE1-NH2 3.4Å; E165-R168 PolarHBondContact OE1-NH2 2.94Å; E165-R168 IonicContact OE2-CZ 3.93Å; E165-R168 IonicContact OE2-NE 2.87Å; E165-R168 PolarHBondContact OE2-NE 3.02Å; E165-R168 IonicContact OE2-NH2 2.86Å; E165-V169 HydrophobicContact CG-CG2 4.49Å; E165-V169 WeakPolarHBondContact O-CG2 3.27Å; E165-V169 PolarHBondContact O-N 3.18Å
166	R	94.4	Very high	95.3	Very high	123 Å²	123	69.8 Å²	69.8	46%	0.464	34%	0.336	S	S	.	.	H	α-helix	trans	-60.1	-48.3	173.9	-76.3	175.2	51.4	-156.7	-10.5	111.7	A162 D163 L164 R168 V169 E170	A162-R166 WeakPolarHBondContact O-CG 3.42Å; A162-R166 PolarHBondContact O-N 3.12Å; D163-R166 PolarHBondContact O-N 2.87Å; D163-R166 IonicContact OD1-NH1 2.67Å; D163-R166 PolarHBondContact OD1-NH1 3.34Å; L164-R166 VanDerWaalsContact C-N 3.34Å; R166-R168 VanDerWaalsContact C-N 3.3Å; R166-R168 PolarHBondContact O-N 3.02Å; R166-V169 PolarHBondContact O-N 2.84Å; R166-E170 IonicContact NH2-OE1 2.69Å; R166-E170 WeakPolarHBondContact O-CB 3.16Å; R166-E170 VanDerWaalsContact O-CG 3.28Å; R166-E170 WeakPolarHBondContact O-CG 3.5Å; R166-E170 PolarHBondContact O-N 3.07Å
167	L	94.7	Very high	95.3	Very high	105 Å²	105	71.6 Å²	71.6	55%	0.55	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-40	177	-71.5	171.8	0	0	0	111.9	D163 L164 E170 E171	D163-L167 WeakPolarHBondContact O-CG 3.43Å; D163-L167 PolarHBondContact O-N 3.05Å; L164-L167 PolarHBondContact O-N 3.39Å; L167-E170 PolarHBondContact O-N 3.5Å; L167-E171 WeakPolarHBondContact O-CB 3.16Å; L167-E171 PolarHBondContact O-N 3.22Å
168	R	95.5	Very high	95.3	Very high	116 Å²	116	75.5 Å²	75.5	44%	0.438	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-48.1	175.5	-170.2	-176	81.6	80.6	14.1	111.8	L164 E165 R166 E171 E172	L164-R168 WeakPolarHBondContact O-CB 3.12Å; L164-R168 PolarHBondContact O-N 3.23Å; E165-R168 WeakPolarHBondContact O-CB 2.99Å; E165-R168 PolarHBondContact O-N 3.29Å; E165-R168 IonicContact OE1-CZ 3.32Å; E165-R168 IonicContact OE1-NE 3.11Å; E165-R168 PolarHBondContact OE1-NE 3.46Å; E165-R168 IonicContact OE1-NH2 3.4Å; E165-R168 PolarHBondContact OE1-NH2 2.94Å; E165-R168 IonicContact OE2-CZ 3.93Å; E165-R168 IonicContact OE2-NE 2.87Å; E165-R168 PolarHBondContact OE2-NE 3.02Å; E165-R168 IonicContact OE2-NH2 2.86Å; R166-R168 VanDerWaalsContact C-N 3.3Å; R166-R168 PolarHBondContact O-N 3.02Å; R168-E171 PolarHBondContact O-N 2.78Å; R168-E172 IonicContact CZ-OE1 2.65Å; R168-E172 IonicContact NH1-OE1 3.34Å; R168-E172 PolarHBondContact NH1-OE1 3.37Å; R168-E172 IonicContact NH1-OE2 3.86Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.06Å
169	V	93.4	Very high	95.5	Very high	49 Å²	49	83.1 Å²	83.1	30%	0.297	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-41.9	-180	171.7	0	0	0	0	111.3	E165 R166 E171 E172 Q173	E165-V169 HydrophobicContact CG-CG2 4.49Å; E165-V169 WeakPolarHBondContact O-CG2 3.27Å; E165-V169 PolarHBondContact O-N 3.18Å; R166-V169 PolarHBondContact O-N 2.84Å; V169-E171 PolarHBondContact O-N 2.92Å; V169-E172 PolarHBondContact O-N 2.83Å; V169-Q173 HydrophobicContact CG1-CG 4.46Å; V169-Q173 WeakPolarHBondContact O-CB 3.22Å; V169-Q173 VanDerWaalsContact O-CG 3.27Å; V169-Q173 WeakPolarHBondContact O-CG 3.43Å; V169-Q173 PolarHBondContact O-N 3.39Å
170	E	94.2	Very high	95.5	Very high	94 Å²	94	84 Å²	84	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-60.3	-44	176.2	-73.8	170.2	-163.2	0	0	111.4	R166 L167 Q173 K174	R166-E170 IonicContact NH2-OE1 2.69Å; R166-E170 WeakPolarHBondContact O-CB 3.16Å; R166-E170 VanDerWaalsContact O-CG 3.28Å; R166-E170 WeakPolarHBondContact O-CG 3.5Å; R166-E170 PolarHBondContact O-N 3.07Å; L167-E170 PolarHBondContact O-N 3.5Å; E170-Q173 PolarHBondContact O-N 3.29Å; E170-K174 WeakPolarHBondContact O-CB 3.47Å; E170-K174 PolarHBondContact O-N 3.09Å
171	E	95.2	Very high	95.5	Very high	84 Å²	84	90.3 Å²	90.3	39%	0.393	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-42.4	177	-178.2	57.4	-152.7	0	0	112.2	L167 R168 V169 Q173 K174 Q175	L167-E171 WeakPolarHBondContact O-CB 3.16Å; L167-E171 PolarHBondContact O-N 3.22Å; R168-E171 PolarHBondContact O-N 2.78Å; V169-E171 PolarHBondContact O-N 2.92Å; E171-Q173 VanDerWaalsContact C-N 3.34Å; E171-Q173 PolarHBondContact O-N 3Å; E171-K174 PolarHBondContact O-N 2.69Å; E171-Q175 WeakPolarHBondContact O-CG 3.31Å; E171-Q175 PolarHBondContact O-N 3.33Å; E171-Q175 PolarHBondContact OE1-NE2 3.26Å
172	E	95.4	Very high	95.5	Very high	93 Å²	93	95.3 Å²	95.3	44%	0.435	45%	0.445	S	S	.	.	H	α-helix	trans	-60.5	-42.1	174.4	-76.5	177.7	176.7	0	0	112.1	R168 V169 Q175 S176	R168-E172 IonicContact CZ-OE1 2.65Å; R168-E172 IonicContact NH1-OE1 3.34Å; R168-E172 PolarHBondContact NH1-OE1 3.37Å; R168-E172 IonicContact NH1-OE2 3.86Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.06Å; V169-E172 PolarHBondContact O-N 2.83Å; E172-Q175 PolarHBondContact O-N 3.04Å; E172-S176 WeakPolarHBondContact O-CB 3.08Å; E172-S176 PolarHBondContact O-N 3.12Å
173	Q	95	Very high	95.6	Very high	120 Å²	120	97 Å²	97	56%	0.561	46%	0.46	S	S	*	.	H	α-helix	trans	-64.7	-41.9	176.4	-74.6	176.6	5.8	0	0	112	V169 E170 E171 S176 S177	V169-Q173 HydrophobicContact CG1-CG 4.46Å; V169-Q173 WeakPolarHBondContact O-CB 3.22Å; V169-Q173 VanDerWaalsContact O-CG 3.27Å; V169-Q173 WeakPolarHBondContact O-CG 3.43Å; V169-Q173 PolarHBondContact O-N 3.39Å; E170-Q173 PolarHBondContact O-N 3.29Å; E171-Q173 VanDerWaalsContact C-N 3.34Å; E171-Q173 PolarHBondContact O-N 3Å; Q173-S176 PolarHBondContact O-N 2.87Å; Q173-S177 WeakPolarHBondContact O-CB 3.11Å; Q173-S177 PolarHBondContact O-N 3.46Å; Q173-S177 PolarHBondContact O-OG 3.05Å
174	K	96	Very high	95.6	Very high	115 Å²	115	99 Å²	99	50%	0.5	47%	0.467	S	S	.	.	H	α-helix	trans	-61.9	-49	175.5	-176.9	-175.5	171.4	-164.8	0	111.2	E170 E171 S176 S177 E178	E170-K174 WeakPolarHBondContact O-CB 3.47Å; E170-K174 PolarHBondContact O-N 3.09Å; E171-K174 PolarHBondContact O-N 2.69Å; K174-S176 VanDerWaalsContact C-N 3.34Å; K174-S176 PolarHBondContact O-N 3.46Å; K174-S177 WeakPolarHBondContact O-CB 3.44Å; K174-S177 PolarHBondContact O-N 2.86Å; K174-E178 WeakPolarHBondContact CE-OE1 3.2Å; K174-E178 WeakPolarHBondContact O-CG 3.49Å; K174-E178 PolarHBondContact O-N 2.92Å
175	Q	96.4	Very high	95.7	Very high	74 Å²	74	99.9 Å²	99.9	35%	0.346	47%	0.469	S	S	.	.	H	α-helix	trans	-61.5	-40.9	177.2	-71.1	179.6	20.4	0	0	112.5	E171 E172 S177 E178 R179	E171-Q175 WeakPolarHBondContact O-CG 3.31Å; E171-Q175 PolarHBondContact O-N 3.33Å; E171-Q175 PolarHBondContact OE1-NE2 3.26Å; E172-Q175 PolarHBondContact O-N 3.04Å; Q175-S177 VanDerWaalsContact C-N 3.34Å; Q175-E178 PolarHBondContact O-N 3.46Å; Q175-R179 WeakPolarHBondContact O-CB 3.45Å; Q175-R179 WeakPolarHBondContact O-CG 3.32Å; Q175-R179 PolarHBondContact O-N 2.9Å
176	S	95.9	Very high	95.8	Very high	77 Å²	77	102.2 Å²	102.2	54%	0.538	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-43.1	175.3	-174	0	0	0	0	111.5	E172 Q173 K174 R179 K180	E172-S176 WeakPolarHBondContact O-CB 3.08Å; E172-S176 PolarHBondContact O-N 3.12Å; Q173-S176 PolarHBondContact O-N 2.87Å; K174-S176 VanDerWaalsContact C-N 3.34Å; K174-S176 PolarHBondContact O-N 3.46Å; S176-R179 PolarHBondContact O-N 3.08Å; S176-K180 WeakPolarHBondContact O-CB 3.12Å; S176-K180 PolarHBondContact O-N 3.33Å
177	S	96.3	Very high	95.8	Very high	77 Å²	77	100.5 Å²	100.5	54%	0.538	48%	0.477	S	S	.	.	H	α-helix	trans	-65.8	-42.4	177.6	-57.9	0	0	0	0	112.2	Q173 K174 Q175 K180 R181	Q173-S177 WeakPolarHBondContact O-CB 3.11Å; Q173-S177 PolarHBondContact O-N 3.46Å; Q173-S177 PolarHBondContact O-OG 3.05Å; K174-S177 WeakPolarHBondContact O-CB 3.44Å; K174-S177 PolarHBondContact O-N 2.86Å; Q175-S177 VanDerWaalsContact C-N 3.34Å; S177-K180 PolarHBondContact O-N 3.29Å; S177-R181 WeakPolarHBondContact O-CB 3.28Å; S177-R181 PolarHBondContact O-N 3.14Å
178	E	96.2	Very high	95.9	Very high	88 Å²	88	101.9 Å²	101.9	41%	0.411	48%	0.481	S	S	.	.	H	α-helix	trans	-64.5	-42.1	175	-74.1	177.4	179.7	0	0	112.1	K174 Q175 K180 R181 K182	K174-E178 WeakPolarHBondContact CE-OE1 3.2Å; K174-E178 WeakPolarHBondContact O-CG 3.49Å; K174-E178 PolarHBondContact O-N 2.92Å; Q175-E178 PolarHBondContact O-N 3.46Å; E178-K180 VanDerWaalsContact C-N 3.35Å; E178-R181 PolarHBondContact O-N 3.26Å; E178-K182 WeakPolarHBondContact O-CB 3.26Å; E178-K182 PolarHBondContact O-N 3.34Å
179	R	96.7	Very high	96	Very high	179 Å²	179	97.8 Å²	97.8	68%	0.675	47%	0.474	S	S	*	.	H	α-helix	trans	-61.6	-43	174.6	-74.7	173.8	-171.1	-175.6	6.6	111.6	Q175 S176 A183	Q175-R179 WeakPolarHBondContact O-CB 3.45Å; Q175-R179 WeakPolarHBondContact O-CG 3.32Å; Q175-R179 PolarHBondContact O-N 2.9Å; S176-R179 PolarHBondContact O-N 3.08Å; R179-A183 WeakPolarHBondContact O-CB 3.43Å; R179-A183 PolarHBondContact O-N 3.3Å
180	K	97.1	Very high	96.1	Very high	133 Å²	133	101.8 Å²	101.8	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-62.7	-48.3	176	-176.7	177.1	173	-178	0	111.3	S176 S177 E178 K182 A183 E184	S176-K180 WeakPolarHBondContact O-CB 3.12Å; S176-K180 PolarHBondContact O-N 3.33Å; S177-K180 PolarHBondContact O-N 3.29Å; E178-K180 VanDerWaalsContact C-N 3.35Å; K180-K182 PolarHBondContact O-N 3.49Å; K180-A183 PolarHBondContact O-N 2.89Å; K180-E184 WeakPolarHBondContact CE-OE1 3.48Å; K180-E184 WeakPolarHBondContact O-CG 3.45Å; K180-E184 PolarHBondContact O-N 3.45Å
181	R	96.9	Very high	96.2	Very high	149 Å²	149	103.3 Å²	103.3	56%	0.562	49%	0.49	S	S	*	.	H	α-helix	trans	-58	-46.8	177.3	-168.8	-175.8	74.3	-161.4	-6.2	111.7	S177 E178 A183 E184 E185	S177-R181 WeakPolarHBondContact O-CB 3.28Å; S177-R181 PolarHBondContact O-N 3.14Å; E178-R181 PolarHBondContact O-N 3.26Å; R181-A183 VanDerWaalsContact C-N 3.35Å; R181-A183 PolarHBondContact O-N 2.84Å; R181-E184 PolarHBondContact O-N 3.16Å; R181-E185 WeakPolarHBondContact CG-OE1 3.3Å; R181-E185 IonicContact NE-OE1 3.95Å; R181-E185 PolarHBondContact NE-OE1 2.96Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 2.86Å
182	K	97	Very high	96.2	Very high	124 Å²	124	105.1 Å²	105.1	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177.4	-174.3	179.6	177.4	-175.3	0	112.2	E178 K180 E185 E186	E178-K182 WeakPolarHBondContact O-CB 3.26Å; E178-K182 PolarHBondContact O-N 3.34Å; K180-K182 PolarHBondContact O-N 3.49Å; K182-E185 PolarHBondContact O-N 2.8Å; K182-E186 WeakPolarHBondContact CE-OE1 3.34Å; K182-E186 WeakPolarHBondContact O-CB 3.45Å; K182-E186 WeakPolarHBondContact O-CG 3.25Å; K182-E186 PolarHBondContact O-N 3.15Å
183	A	96.8	Very high	96.1	Very high	53 Å²	53	106.9 Å²	106.9	44%	0.438	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-39	177.1	0	0	0	0	0	112.5	R179 K180 R181 E187	R179-A183 WeakPolarHBondContact O-CB 3.43Å; R179-A183 PolarHBondContact O-N 3.3Å; K180-A183 PolarHBondContact O-N 2.89Å; R181-A183 VanDerWaalsContact C-N 3.35Å; R181-A183 PolarHBondContact O-N 2.84Å; A183-E187 WeakPolarHBondContact O-CB 3.37Å; A183-E187 PolarHBondContact O-N 3.19Å
184	E	96.4	Very high	96.2	Very high	95 Å²	95	103.9 Å²	103.9	44%	0.444	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-48	174.2	-71.4	170.6	-179.4	0	0	111.2	K180 R181 E186 E187 E188	K180-E184 WeakPolarHBondContact CE-OE1 3.48Å; K180-E184 WeakPolarHBondContact O-CG 3.45Å; K180-E184 PolarHBondContact O-N 3.45Å; R181-E184 PolarHBondContact O-N 3.16Å; E184-E186 PolarHBondContact O-N 2.84Å; E184-E187 PolarHBondContact O-N 3.07Å; E184-E187 VanDerWaalsContact O-N 3.14Å; E184-E188 WeakPolarHBondContact O-CG 3.31Å; E184-E188 PolarHBondContact O-N 2.86Å
185	E	96.5	Very high	96.1	Very high	104 Å²	104	103.9 Å²	103.9	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-58.4	-42.5	175.5	-72.3	169.1	-166.9	0	0	112.2	R181 K182 G189	R181-E185 WeakPolarHBondContact CG-OE1 3.3Å; R181-E185 IonicContact NE-OE1 3.95Å; R181-E185 PolarHBondContact NE-OE1 2.96Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 2.86Å; K182-E185 PolarHBondContact O-N 2.8Å; E185-G189 PolarHBondContact O-N 3.5Å
186	E	95.9	Very high	95.9	Very high	95 Å²	95	102.2 Å²	102.2	44%	0.444	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-36.7	175.8	-75	178.4	-168.5	0	0	112.3	K182 E184 R190	K182-E186 WeakPolarHBondContact CE-OE1 3.34Å; K182-E186 WeakPolarHBondContact O-CB 3.45Å; K182-E186 WeakPolarHBondContact O-CG 3.25Å; K182-E186 PolarHBondContact O-N 3.15Å; E184-E186 PolarHBondContact O-N 2.84Å; E186-R190 WeakPolarHBondContact O-CB 3.24Å; E186-R190 VanDerWaalsContact O-CG 3.31Å; E186-R190 WeakPolarHBondContact O-CG 3.48Å; E186-R190 PolarHBondContact O-N 2.92Å; E186-R190 IonicContact OE2-NH1 3.07Å
187	E	95.6	Very high	95.8	Very high	87 Å²	87	106.1 Å²	106.1	41%	0.407	51%	0.505	S	S	.	.	H	α-helix	trans	-68	-44.2	175.6	-167.5	-173.5	149.2	0	0	111.9	A183 E184 G189 R190 K191	A183-E187 WeakPolarHBondContact O-CB 3.37Å; A183-E187 PolarHBondContact O-N 3.19Å; E184-E187 PolarHBondContact O-N 3.07Å; E184-E187 VanDerWaalsContact O-N 3.14Å; E187-G189 VanDerWaalsContact C-N 3.34Å; E187-R190 PolarHBondContact O-N 3.44Å; E187-K191 WeakPolarHBondContact O-CG 3.48Å; E187-K191 PolarHBondContact O-N 3.12Å; E187-K191 WeakPolarHBondContact OE1-CE 3.33Å; E187-K191 IonicContact OE1-NZ 2.75Å; E187-K191 PolarHBondContact OE1-NZ 3.37Å
188	E	95.8	Very high	95.7	Very high	133 Å²	133	108.2 Å²	108.2	62%	0.621	51%	0.507	S	S	*	.	H	α-helix	trans	-60.6	-43.8	173	-72.3	-176	171.7	0	0	111.3	E184 R190 K191 L192	E184-E188 WeakPolarHBondContact O-CG 3.31Å; E184-E188 PolarHBondContact O-N 2.86Å; E188-R190 PolarHBondContact O-N 3.29Å; E188-K191 PolarHBondContact O-N 2.94Å; E188-L192 WeakPolarHBondContact O-CB 3.33Å; E188-L192 PolarHBondContact O-N 3.24Å
189	G	96.9	Very high	95.5	Very high	30 Å²	30	107 Å²	107	31%	0.309	50%	0.498	S	S	.	.	H	α-helix	trans	-59.7	-42.2	173.8	0	0	0	0	0	112.7	E185 E187 L192 M193	E185-G189 PolarHBondContact O-N 3.5Å; E187-G189 VanDerWaalsContact C-N 3.34Å; G189-L192 PolarHBondContact O-N 2.8Å; G189-M193 WeakPolarHBondContact O-CB 3.45Å; G189-M193 WeakPolarHBondContact O-CG 3.45Å; G189-M193 PolarHBondContact O-N 3.36Å
190	R	95.8	Very high	95.3	Very high	134 Å²	134	104 Å²	104	51%	0.506	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-43.4	173.4	-75.9	-172.7	-59.3	-93	1.9	111.9	E186 E187 E188 M193 A194	E186-R190 WeakPolarHBondContact O-CB 3.24Å; E186-R190 VanDerWaalsContact O-CG 3.31Å; E186-R190 WeakPolarHBondContact O-CG 3.48Å; E186-R190 PolarHBondContact O-N 2.92Å; E186-R190 IonicContact OE2-NH1 3.07Å; E187-R190 PolarHBondContact O-N 3.44Å; E188-R190 PolarHBondContact O-N 3.29Å; R190-M193 PolarHBondContact O-N 2.8Å; R190-A194 WeakPolarHBondContact O-CB 3.27Å; R190-A194 PolarHBondContact O-N 3.45Å
191	K	96.1	Very high	95.1	Very high	126 Å²	126	103.8 Å²	103.8	55%	0.548	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-45.1	176.5	-74.5	172.4	-176.4	163.1	0	111.2	E187 E188 A194 Y195	E187-K191 WeakPolarHBondContact O-CG 3.48Å; E187-K191 PolarHBondContact O-N 3.12Å; E187-K191 WeakPolarHBondContact OE1-CE 3.33Å; E187-K191 IonicContact OE1-NZ 2.75Å; E187-K191 PolarHBondContact OE1-NZ 3.37Å; E188-K191 PolarHBondContact O-N 2.94Å; K191-A194 PolarHBondContact O-N 3.35Å; K191-Y195 VanDerWaalsContact O-CB 3.25Å; K191-Y195 WeakPolarHBondContact O-CB 3.37Å; K191-Y195 PolarHBondContact O-N 2.93Å
192	L	95.4	Very high	94.8	Very high	122 Å²	122	100.6 Å²	100.6	64%	0.639	48%	0.483	S	S	*	.	H	α-helix	trans	-64.7	-41.5	178.6	-173.5	62.9	0	0	0	112	E188 G189 Y195 D196	E188-L192 WeakPolarHBondContact O-CB 3.33Å; E188-L192 PolarHBondContact O-N 3.24Å; G189-L192 PolarHBondContact O-N 2.8Å; L192-Y195 PolarHBondContact O-N 3.1Å; L192-D196 WeakPolarHBondContact O-CB 3.38Å; L192-D196 PolarHBondContact O-N 3.1Å
193	M	94.5	Very high	94.4	Very high	130 Å²	130	99.7 Å²	99.7	64%	0.64	48%	0.477	S	S	*	.	H	α-helix	trans	-66.2	-42.4	175	-75.7	-168.5	-73	0	0	112.7	G189 R190 Y195 D196 K197	G189-M193 WeakPolarHBondContact O-CB 3.45Å; G189-M193 WeakPolarHBondContact O-CG 3.45Å; G189-M193 PolarHBondContact O-N 3.36Å; R190-M193 PolarHBondContact O-N 2.8Å; M193-Y195 VanDerWaalsContact C-N 3.32Å; M193-D196 PolarHBondContact O-N 3.07Å; M193-K197 VanDerWaalsContact O-CB 3.31Å; M193-K197 WeakPolarHBondContact O-CB 3.44Å; M193-K197 PolarHBondContact O-N 2.92Å
194	A	96.2	Very high	94	Very high	57 Å²	57	101.3 Å²	101.3	47%	0.471	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-44.1	175.4	0	0	0	0	0	110.8	R190 K191 K197 E198	R190-A194 WeakPolarHBondContact O-CB 3.27Å; R190-A194 PolarHBondContact O-N 3.45Å; K191-A194 PolarHBondContact O-N 3.35Å; A194-K197 PolarHBondContact O-N 3.36Å; A194-E198 WeakPolarHBondContact O-CB 3.47Å; A194-E198 PolarHBondContact O-N 3.05Å
195	Y	92.8	Very high	93.7	Very high	114 Å²	114	102.1 Å²	102.1	45%	0.447	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-46.8	176.2	-173.2	-92.7	0	0	0	112.5	K191 L192 M193 K197 E198 W199 P242	K191-Y195 VanDerWaalsContact O-CB 3.25Å; K191-Y195 WeakPolarHBondContact O-CB 3.37Å; K191-Y195 PolarHBondContact O-N 2.93Å; L192-Y195 PolarHBondContact O-N 3.1Å; M193-Y195 VanDerWaalsContact C-N 3.32Å; Y195-K197 VanDerWaalsContact C-N 3.35Å; Y195-K197 PolarHBondContact O-N 3.25Å; Y195-E198 PolarHBondContact O-N 3.46Å; Y195-W199 VanDerWaalsContact O-CB 3.29Å; Y195-W199 WeakPolarHBondContact O-CB 3.27Å; Y195-W199 PolarHBondContact O-N 3.31Å; Y195-P242 HydrophobicContact CE1-CG 3.7Å; Y195-P242 WeakPolarHBondContact OH-CG 3.48Å
196	D	93.3	Very high	93.3	Very high	40 Å²	40	98.1 Å²	98.1	21%	0.214	46%	0.463	C	S	.	.	H	α-helix	trans	-63.2	-40	177.2	-178.7	77.8	0	0	0	111.9	L192 M193 W199 K200 R241	L192-D196 WeakPolarHBondContact O-CB 3.38Å; L192-D196 PolarHBondContact O-N 3.1Å; M193-D196 PolarHBondContact O-N 3.07Å; D196-W199 PolarHBondContact O-N 3.42Å; D196-K200 WeakPolarHBondContact O-CB 3.47Å; D196-K200 WeakPolarHBondContact O-CG 3.43Å; D196-K200 PolarHBondContact O-N 3.29Å; D196-K200 IonicContact OD1-NZ 2.78Å; D196-K200 WeakPolarHBondContact OD2-CE 3.38Å; D196-K200 IonicContact OD2-NZ 2.7Å; D196-K200 PolarHBondContact OD2-NZ 2.84Å; D196-R241 IonicContact OD1-NH2 3.21Å
197	K	94.7	Very high	92.9	Very high	159 Å²	159	100 Å²	100	69%	0.691	47%	0.466	S	S	*	.	H	α-helix	trans	-64	-44.9	175.6	-174.8	179.2	-179.9	-179.2	0	111.7	M193 A194 Y195 K200 K201	M193-K197 VanDerWaalsContact O-CB 3.31Å; M193-K197 WeakPolarHBondContact O-CB 3.44Å; M193-K197 PolarHBondContact O-N 2.92Å; A194-K197 PolarHBondContact O-N 3.36Å; Y195-K197 VanDerWaalsContact C-N 3.35Å; Y195-K197 PolarHBondContact O-N 3.25Å; K197-K200 PolarHBondContact O-N 2.9Å; K197-K201 WeakPolarHBondContact O-CB 3.47Å; K197-K201 PolarHBondContact O-N 3.19Å
198	E	93.6	Very high	92.3	Very high	121 Å²	121	100.7 Å²	100.7	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-66.5	-42.5	177.3	-174.4	157.9	-148.8	0	0	111.6	A194 Y195 K200 K201 N202	A194-E198 WeakPolarHBondContact O-CB 3.47Å; A194-E198 PolarHBondContact O-N 3.05Å; Y195-E198 PolarHBondContact O-N 3.46Å; E198-K200 PolarHBondContact O-N 3.01Å; E198-K201 PolarHBondContact O-N 3.45Å; E198-N202 WeakPolarHBondContact O-CB 3.27Å; E198-N202 PolarHBondContact O-N 2.93Å
199	W	91.6	Very high	91.8	Very high	63 Å²	63	99.7 Å²	99.7	24%	0.239	48%	0.475	C	S	.	.	H	α-helix	trans	-59.3	-47.4	174	-174.6	93.4	0	0	0	111.8	Y195 D196 K201 N202 Y203 R241	Y195-W199 VanDerWaalsContact O-CB 3.29Å; Y195-W199 WeakPolarHBondContact O-CB 3.27Å; Y195-W199 PolarHBondContact O-N 3.31Å; D196-W199 PolarHBondContact O-N 3.42Å; W199-K201 PolarHBondContact O-N 3.04Å; W199-N202 PolarHBondContact O-N 3.07Å; W199-Y203 AromaticContact CH2-CD2 3.78Å; W199-Y203 HydrophobicContact CH2-CD2 3.78Å; W199-Y203 HydrophobicContact CH2-CE2 4.29Å; W199-Y203 HydrophobicContact CH2-CG 4.06Å; W199-Y203 HydrophobicContact CZ2-CD2 4.08Å; W199-Y203 HydrophobicContact CZ3-CD2 4.38Å; W199-Y203 HydrophobicContact CZ3-CG 4.2Å; W199-Y203 VanDerWaalsContact O-CB 3.28Å; W199-Y203 WeakPolarHBondContact O-CB 3.14Å; W199-Y203 PolarHBondContact O-N 3.03Å; W199-R241 HydrophobicContact CZ2-CB 4.31Å
200	K	92	Very high	91.3	Very high	116 Å²	116	102.2 Å²	102.2	50%	0.504	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-42.7	177.2	-79.5	171.9	178.2	160.5	0	112.3	D196 K197 E198 Y203 E204	D196-K200 WeakPolarHBondContact O-CB 3.47Å; D196-K200 WeakPolarHBondContact O-CG 3.43Å; D196-K200 PolarHBondContact O-N 3.29Å; D196-K200 IonicContact OD1-NZ 2.78Å; D196-K200 WeakPolarHBondContact OD2-CE 3.38Å; D196-K200 IonicContact OD2-NZ 2.7Å; D196-K200 PolarHBondContact OD2-NZ 2.84Å; K197-K200 PolarHBondContact O-N 2.9Å; E198-K200 PolarHBondContact O-N 3.01Å; K200-Y203 PolarHBondContact O-N 2.96Å; K200-E204 WeakPolarHBondContact O-CB 3.29Å; K200-E204 PolarHBondContact O-N 3.26Å
201	K	93.3	Very high	90.7	Very high	127 Å²	127	98.7 Å²	98.7	55%	0.552	47%	0.468	S	S	*	.	H	α-helix	trans	-59.8	-51.5	175.8	-179	-174.8	168.9	-170.2	0	110.6	K197 E198 W199 Y203 E204 E205	K197-K201 WeakPolarHBondContact O-CB 3.47Å; K197-K201 PolarHBondContact O-N 3.19Å; E198-K201 PolarHBondContact O-N 3.45Å; W199-K201 PolarHBondContact O-N 3.04Å; K201-Y203 VanDerWaalsContact C-N 3.3Å; K201-Y203 PolarHBondContact O-N 3.26Å; K201-E204 PolarHBondContact O-N 3.41Å; K201-E205 WeakPolarHBondContact CE-OE1 3.3Å; K201-E205 IonicContact NZ-OE1 2.9Å; K201-E205 WeakPolarHBondContact O-CG 3.34Å; K201-E205 PolarHBondContact O-N 3.12Å
202	N	90.4	Very high	90.2	Very high	83 Å²	83	94.6 Å²	94.6	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-38.5	178.7	-67.8	-10	0	0	0	111.9	E198 W199 S206	E198-N202 WeakPolarHBondContact O-CB 3.27Å; E198-N202 PolarHBondContact O-N 2.93Å; W199-N202 PolarHBondContact O-N 3.07Å; N202-S206 WeakPolarHBondContact O-CB 3.37Å; N202-S206 PolarHBondContact O-N 2.85Å; N202-S206 PolarHBondContact O-OG 3.03Å
203	Y	88.7	Confident	89.8	Confident	104 Å²	104	92.2 Å²	92.2	41%	0.408	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-39.5	175.5	-177.9	-91.6	0	0	0	112.3	W199 K200 K201 S206 R207 R210	W199-Y203 AromaticContact CH2-CD2 3.78Å; W199-Y203 HydrophobicContact CH2-CD2 3.78Å; W199-Y203 HydrophobicContact CH2-CE2 4.29Å; W199-Y203 HydrophobicContact CH2-CG 4.06Å; W199-Y203 HydrophobicContact CZ2-CD2 4.08Å; W199-Y203 HydrophobicContact CZ3-CD2 4.38Å; W199-Y203 HydrophobicContact CZ3-CG 4.2Å; W199-Y203 VanDerWaalsContact O-CB 3.28Å; W199-Y203 WeakPolarHBondContact O-CB 3.14Å; W199-Y203 PolarHBondContact O-N 3.03Å; K200-Y203 PolarHBondContact O-N 2.96Å; K201-Y203 VanDerWaalsContact C-N 3.3Å; K201-Y203 PolarHBondContact O-N 3.26Å; Y203-S206 PolarHBondContact O-OG 3.4Å; Y203-S206 VanDerWaalsContact O-OG 3.05Å; Y203-R207 PolarHBondContact O-N 3.21Å; Y203-R210 VanDerWaalsContact CE1-NH2 3.35Å; Y203-R210 VanDerWaalsContact CZ-NH2 3.35Å; Y203-R210 PolarHBondContact O-NH1 3.46Å; Y203-R210 PolarHBondContact O-NH2 3.44Å
204	E	89.2	Confident	89.1	Confident	88 Å²	88	93.5 Å²	93.5	41%	0.411	45%	0.449	S	S	.	.	H	α-helix	trans	-75.3	-37.8	179.2	-171.3	61.2	-167.7	0	0	111.8	K200 K201 S206 R207	K200-E204 WeakPolarHBondContact O-CB 3.29Å; K200-E204 PolarHBondContact O-N 3.26Å; K201-E204 PolarHBondContact O-N 3.41Å; E204-S206 VanDerWaalsContact C-N 3.35Å; E204-S206 PolarHBondContact O-N 2.82Å; E204-R207 WeakPolarHBondContact O-CB 3.17Å; E204-R207 PolarHBondContact O-N 3.4Å; E204-R207 VanDerWaalsContact O-N 3.1Å; E204-R207 IonicContact OE1-CZ 3.58Å; E204-R207 IonicContact OE1-NE 2.75Å; E204-R207 PolarHBondContact OE1-NE 3.25Å; E204-R207 VanDerWaalsContact OE1-NE 3.11Å; E204-R207 IonicContact OE1-NH1 2.71Å; E204-R207 PolarHBondContact OE1-NH1 2.96Å; E204-R207 IonicContact OE1-NH2 3.86Å; E204-R207 PolarHBondContact OE1-NH2 3Å
205	E	88.4	Confident	88.6	Confident	112 Å²	112	98.9 Å²	98.9	52%	0.523	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-39.6	173.9	-73.1	176	-177.6	0	0	111.6	K201 R207	K201-E205 WeakPolarHBondContact CE-OE1 3.3Å; K201-E205 IonicContact NZ-OE1 2.9Å; K201-E205 WeakPolarHBondContact O-CG 3.34Å; K201-E205 PolarHBondContact O-N 3.12Å; E205-R207 PolarHBondContact O-N 3.43Å
206	S	88.5	Confident	88.1	Confident	20 Å²	20	98.3 Å²	98.3	14%	0.14	46%	0.462	C	S	.	.	H	α-helix	trans	-71.2	-10.1	175.1	71.8	0	0	0	0	113.4	N202 Y203 E204 V208 N209 R210	N202-S206 WeakPolarHBondContact O-CB 3.37Å; N202-S206 PolarHBondContact O-N 2.85Å; N202-S206 PolarHBondContact O-OG 3.03Å; Y203-S206 PolarHBondContact O-OG 3.4Å; Y203-S206 VanDerWaalsContact O-OG 3.05Å; E204-S206 VanDerWaalsContact C-N 3.35Å; E204-S206 PolarHBondContact O-N 2.82Å; S206-V208 VanDerWaalsContact C-N 3.31Å; S206-V208 PolarHBondContact O-N 2.95Å; S206-N209 PolarHBondContact O-N 3.44Å; S206-R210 WeakPolarHBondContact O-CG 3.36Å; S206-R210 PolarHBondContact O-N 3.4Å; S206-R210 PolarHBondContact OG-NH1 2.97Å
207	R	87.5	Confident	87.6	Confident	133 Å²	133	98.5 Å²	98.5	50%	0.502	46%	0.461	S	S	.	.	H	α-helix	trans	-57.9	-41.9	175.2	-168.5	178.3	73.7	169.5	0.4	112	Y203 E204 E205 R210 V211	Y203-R207 PolarHBondContact O-N 3.21Å; E204-R207 WeakPolarHBondContact O-CB 3.17Å; E204-R207 PolarHBondContact O-N 3.4Å; E204-R207 VanDerWaalsContact O-N 3.1Å; E204-R207 IonicContact OE1-CZ 3.58Å; E204-R207 IonicContact OE1-NE 2.75Å; E204-R207 PolarHBondContact OE1-NE 3.25Å; E204-R207 VanDerWaalsContact OE1-NE 3.11Å; E204-R207 IonicContact OE1-NH1 2.71Å; E204-R207 PolarHBondContact OE1-NH1 2.96Å; E204-R207 IonicContact OE1-NH2 3.86Å; E204-R207 PolarHBondContact OE1-NH2 3Å; E205-R207 PolarHBondContact O-N 3.43Å; R207-R210 PolarHBondContact O-N 3.13Å; R207-V211 HydrophobicContact CG-CG2 4.36Å; R207-V211 WeakPolarHBondContact O-CB 3.1Å; R207-V211 VanDerWaalsContact O-CG2 3.28Å; R207-V211 WeakPolarHBondContact O-CG2 3.3Å; R207-V211 PolarHBondContact O-N 2.96Å
208	V	84	Confident	87.1	Confident	102 Å²	102	97 Å²	97	62%	0.618	46%	0.455	S	S	*	.	H	α-helix	trans	-62	-46.6	178.8	178.5	0	0	0	0	110.1	S206 R210 V211 A212	S206-V208 VanDerWaalsContact C-N 3.31Å; S206-V208 PolarHBondContact O-N 2.95Å; V208-R210 PolarHBondContact O-N 3.39Å; V208-V211 PolarHBondContact O-N 3Å; V208-A212 VanDerWaalsContact O-CB 3.32Å; V208-A212 WeakPolarHBondContact O-CB 3.32Å; V208-A212 PolarHBondContact O-N 3.43Å
209	N	85.5	Confident	86.6	Confident	112 Å²	112	93.3 Å²	93.3	60%	0.599	45%	0.445	S	S	*	.	H	α-helix	trans	-64.3	-40.2	177.8	-68.4	-22.8	0	0	0	112.1	S206 S213	S206-N209 PolarHBondContact O-N 3.44Å; N209-S213 VanDerWaalsContact O-CB 3.31Å; N209-S213 WeakPolarHBondContact O-CB 3.37Å; N209-S213 PolarHBondContact O-N 2.8Å; N209-S213 PolarHBondContact O-OG 3.29Å
210	R	85.1	Confident	86.1	Confident	83 Å²	83	97 Å²	97	31%	0.313	46%	0.463	S	S	.	.	H	α-helix	trans	-65.5	-43.4	175.5	-70.7	-171.3	-57.7	-118.9	-2.1	112.2	Y203 S206 R207 V208 S213 W214 E239	Y203-R210 VanDerWaalsContact CE1-NH2 3.35Å; Y203-R210 VanDerWaalsContact CZ-NH2 3.35Å; Y203-R210 PolarHBondContact O-NH1 3.46Å; Y203-R210 PolarHBondContact O-NH2 3.44Å; S206-R210 WeakPolarHBondContact O-CG 3.36Å; S206-R210 PolarHBondContact O-N 3.4Å; S206-R210 PolarHBondContact OG-NH1 2.97Å; R207-R210 PolarHBondContact O-N 3.13Å; V208-R210 PolarHBondContact O-N 3.39Å; R210-S213 PolarHBondContact O-N 3.17Å; R210-W214 WeakPolarHBondContact O-CB 3.22Å; R210-W214 PolarHBondContact O-N 3.16Å; R210-E239 IonicContact NH1-OE2 3.46Å; R210-E239 PolarHBondContact NH1-OE2 3.31Å
211	V	84.8	Confident	85.1	Confident	60 Å²	60	98.4 Å²	98.4	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-67.2	-42.3	177	170.9	0	0	0	0	111.2	R207 V208 W214 R215	R207-V211 HydrophobicContact CG-CG2 4.36Å; R207-V211 WeakPolarHBondContact O-CB 3.1Å; R207-V211 VanDerWaalsContact O-CG2 3.28Å; R207-V211 WeakPolarHBondContact O-CG2 3.3Å; R207-V211 PolarHBondContact O-N 2.96Å; V208-V211 PolarHBondContact O-N 3Å; V211-W214 PolarHBondContact O-N 2.99Å; V211-R215 HydrophobicContact CG1-CG 4.47Å; V211-R215 WeakPolarHBondContact O-CG 3.36Å; V211-R215 PolarHBondContact O-N 3.08Å
212	A	85.5	Confident	83.7	Confident	40 Å²	40	96 Å²	96	33%	0.331	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-48.6	174.4	0	0	0	0	0	110.9	V208 W214 R215 D216	V208-A212 VanDerWaalsContact O-CB 3.32Å; V208-A212 WeakPolarHBondContact O-CB 3.32Å; V208-A212 PolarHBondContact O-N 3.43Å; A212-W214 VanDerWaalsContact C-N 3.28Å; A212-W214 PolarHBondContact O-N 3.36Å; A212-R215 PolarHBondContact O-N 3.26Å; A212-R215 VanDerWaalsContact O-N 3.15Å; A212-D216 PolarHBondContact O-N 3.44Å
213	S	85.2	Confident	82.5	Confident	73 Å²	73	100.9 Å²	100.9	51%	0.51	49%	0.485	S	S	.	.	H	α-helix	trans	-58.6	-37.9	176.2	-60.9	0	0	0	0	112.8	N209 R210 F217	N209-S213 VanDerWaalsContact O-CB 3.31Å; N209-S213 WeakPolarHBondContact O-CB 3.37Å; N209-S213 PolarHBondContact O-N 2.8Å; N209-S213 PolarHBondContact O-OG 3.29Å; R210-S213 PolarHBondContact O-N 3.17Å; S213-F217 WeakPolarHBondContact O-CB 3.27Å; S213-F217 PolarHBondContact O-N 3.44Å
214	W	81.1	Confident	81.1	Confident	156 Å²	156	98.6 Å²	98.6	59%	0.591	48%	0.482	S	S	*	.	H	α-helix	trans	-72.2	-39.2	176.3	-171.6	84.5	0	0	0	112.9	R210 V211 A212 F217 K218	R210-W214 WeakPolarHBondContact O-CB 3.22Å; R210-W214 PolarHBondContact O-N 3.16Å; V211-W214 PolarHBondContact O-N 2.99Å; A212-W214 VanDerWaalsContact C-N 3.28Å; A212-W214 PolarHBondContact O-N 3.36Å; W214-F217 PolarHBondContact O-N 3.12Å; W214-K218 HydrophobicContact CH2-CD 4.12Å; W214-K218 HydrophobicContact CZ3-CD 4.18Å; W214-K218 PolarHBondContact O-N 3.41Å
215	R	84.7	Confident	79.4	Confident	170 Å²	170	99.3 Å²	99.3	64%	0.642	50%	0.497	S	S	*	.	H	α-helix	trans	-62.5	-44.1	173.7	-76.6	178.3	175.5	156.8	-0.7	111.2	V211 A212 F217 K218 A219	V211-R215 HydrophobicContact CG1-CG 4.47Å; V211-R215 WeakPolarHBondContact O-CG 3.36Å; V211-R215 PolarHBondContact O-N 3.08Å; A212-R215 PolarHBondContact O-N 3.26Å; A212-R215 VanDerWaalsContact O-N 3.15Å; R215-F217 VanDerWaalsContact C-N 3.34Å; R215-F217 PolarHBondContact O-N 2.85Å; R215-K218 PolarHBondContact O-N 3.47Å; R215-A219 WeakPolarHBondContact O-CB 3.47Å; R215-A219 PolarHBondContact O-N 3.38Å
216	D	83.8	Confident	77.6	Confident	102 Å²	102	103.3 Å²	103.3	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-40.1	176.5	-71.9	-18	0	0	0	111.9	A212 A219 K220	A212-D216 PolarHBondContact O-N 3.44Å; D216-A219 PolarHBondContact O-N 2.86Å; D216-K220 WeakPolarHBondContact O-CB 3.28Å; D216-K220 WeakPolarHBondContact O-CG 3.27Å; D216-K220 PolarHBondContact O-N 2.99Å
217	F	82.8	Confident	75.6	Confident	44 Å²	44	105 Å²	105	19%	0.193	53%	0.534	C	S	.	.	H	α-helix	trans	-61.2	-44.6	172.8	175.6	-106.4	0	0	0	111.9	S213 W214 R215 K220 K221 P233 P234	S213-F217 WeakPolarHBondContact O-CB 3.27Å; S213-F217 PolarHBondContact O-N 3.44Å; W214-F217 PolarHBondContact O-N 3.12Å; R215-F217 VanDerWaalsContact C-N 3.34Å; R215-F217 PolarHBondContact O-N 2.85Å; F217-K220 PolarHBondContact O-N 3.27Å; F217-K221 PolarHBondContact O-N 3.2Å; F217-P233 HydrophobicContact CE1-CB 4.04Å; F217-P233 HydrophobicContact CZ-CB 3.94Å; F217-P234 HydrophobicContact CB-CG 4.32Å; F217-P234 HydrophobicContact CD2-CG 4.19Å; F217-P234 HydrophobicContact CG-CG 4.15Å
218	K	83.7	Confident	73.5	Confident	129 Å²	129	105.6 Å²	105.6	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-65.6	-40.5	177.8	-163.9	-173.4	-178.4	-174.1	0	112	W214 R215 K221 S222	W214-K218 HydrophobicContact CH2-CD 4.12Å; W214-K218 HydrophobicContact CZ3-CD 4.18Å; W214-K218 PolarHBondContact O-N 3.41Å; R215-K218 PolarHBondContact O-N 3.47Å; K218-K221 WeakPolarHBondContact O-CB 3.46Å; K218-K221 PolarHBondContact O-N 2.92Å; K218-S222 PolarHBondContact O-N 2.9Å
219	A	83.5	Confident	71.8	Confident	43 Å²	43	104.6 Å²	104.6	36%	0.355	56%	0.556	S	S	.	*	H	α-helix	trans	-67.5	-36	177.1	0	0	0	0	0	112.3	R215 D216 S222 K223	R215-A219 WeakPolarHBondContact O-CB 3.47Å; R215-A219 PolarHBondContact O-N 3.38Å; D216-A219 PolarHBondContact O-N 2.86Å; A219-S222 PolarHBondContact O-N 2.86Å; A219-S222 PolarHBondContact O-OG 3.05Å; A219-K223 WeakPolarHBondContact O-CG 3.36Å; A219-K223 PolarHBondContact O-N 2.93Å; A219-K223 VanDerWaalsContact O-N 3.15Å
220	K	80.7	Confident	70.5	Confident	141 Å²	141	102.7 Å²	102.7	61%	0.613	56%	0.562	S	S	*	*	H	α-helix	trans	-62.3	-45.2	168.9	-78.7	175.7	-179.8	175.1	0	110.6	D216 F217 S222 K223 T224	D216-K220 WeakPolarHBondContact O-CB 3.28Å; D216-K220 WeakPolarHBondContact O-CG 3.27Å; D216-K220 PolarHBondContact O-N 2.99Å; F217-K220 PolarHBondContact O-N 3.27Å; K220-S222 VanDerWaalsContact C-N 3.32Å; K220-S222 PolarHBondContact O-N 2.84Å; K220-K223 PolarHBondContact O-N 3.1Å; K220-T224 PolarHBondContact O-N 3.14Å; K220-T224 PolarHBondContact O-OG1 3.41Å
221	K	70.3	Confident	69.2	Low	144 Å²	144	103.6 Å²	103.6	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-58	-39.6	177	-169.8	179.9	179.4	179.9	0	113.1	F217 K218	F217-K221 PolarHBondContact O-N 3.2Å; K218-K221 WeakPolarHBondContact O-CB 3.46Å; K218-K221 PolarHBondContact O-N 2.92Å
222	S	64.7	Low	68.2	Low	78 Å²	78	109.5 Å²	109.5	55%	0.545	59%	0.594	S	S	.	*	H	α-helix	trans	-72.7	-36.7	178.3	59.7	0	0	0	0	112.9	K218 A219 K220 S225	K218-S222 PolarHBondContact O-N 2.9Å; A219-S222 PolarHBondContact O-N 2.86Å; A219-S222 PolarHBondContact O-OG 3.05Å; K220-S222 VanDerWaalsContact C-N 3.32Å; K220-S222 PolarHBondContact O-N 2.84Å; S222-S225 PolarHBondContact O-N 3.41Å; S222-S225 PolarHBondContact O-OG 3.01Å
223	K	64	Low	67.2	Low	185 Å²	185	111.8 Å²	111.8	80%	0.804	61%	0.605	S	S	*	*	H	α-helix	trans	-70.5	-28.5	177.7	-74.7	-177.7	179.3	178.2	0	113.1	A219 K220 S225	A219-K223 WeakPolarHBondContact O-CG 3.36Å; A219-K223 PolarHBondContact O-N 2.93Å; A219-K223 VanDerWaalsContact O-N 3.15Å; K220-K223 PolarHBondContact O-N 3.1Å; K223-S225 VanDerWaalsContact C-N 3.35Å
224	T	59.4	Low	66	Low	56 Å²	56	112 Å²	112	34%	0.344	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	13.4	179.6	-31.9	0	0	0	0	113.5	K220 K226 L231	K220-T224 PolarHBondContact O-N 3.14Å; K220-T224 PolarHBondContact O-OG1 3.41Å; T224-K226 PolarHBondContact O-N 3.28Å; T224-K226 VanDerWaalsContact O-N 3.07Å; T224-L231 HydrophobicContact CG2-CD1 4.08Å
225	S	53	Low	65.1	Low	102 Å²	102	114.1 Å²	114.1	71%	0.713	62%	0.618	S	S	*	*			trans	-68.3	-3	-179.7	59.6	0	0	0	0	115.1	S222 K223	S222-S225 PolarHBondContact O-N 3.41Å; S222-S225 PolarHBondContact O-OG 3.01Å; K223-S225 VanDerWaalsContact C-N 3.35Å
226	K	50.8	Low	63.9	Low	196 Å²	196	112.5 Å²	112.5	85%	0.852	63%	0.627	S	S	*	*	S	Bend	trans	-102.1	95.1	162.6	-81.1	-178.4	177.8	173.3	0	109.8	T224	T224-K226 PolarHBondContact O-N 3.28Å; T224-K226 VanDerWaalsContact O-N 3.07Å
227	G	46.5	Very low	62.6	Low	57 Å²	57	116.9 Å²	116.9	59%	0.588	64%	0.642	S	S	*	*	S	Bend	trans	69.6	101.5	162.3	0	0	0	0	0	114.9
228	I	44.6	Very low	61.4	Low	144 Å²	144	122.6 Å²	122.6	74%	0.738	67%	0.671	S	S	*	*			trans	161.1	105.9	141.7	-80.7	151.5	0	0	0	105.7
229	G	48.1	Very low	60.3	Low	82 Å²	82	121.6 Å²	121.6	85%	0.845	67%	0.668	S	S	*	*			trans	-60.8	136.2	170.5	0	0	0	0	0	110.4
230	G	58	Low	59.2	Low	71 Å²	71	127.5 Å²	127.5	73%	0.732	69%	0.688	S	S	*	*			trans	127.2	14.5	160.9	0	0	0	0	0	118.9	K232	G230-K232 PolarHBondContact O-N 3.28Å
231	L	57.9	Low	58	Low	102 Å²	102	129 Å²	129	53%	0.534	69%	0.69	S	S	.	*			trans	-73.6	94.6	172.2	-87.5	140.4	0	0	0	111.3	T224	T224-L231 HydrophobicContact CG2-CD1 4.08Å
232	K	64.7	Low	57.4	Low	185 Å²	185	125.3 Å²	125.3	80%	0.804	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-67	139.9	168.1	-75	178	178.9	171	0	109.8	G230	G230-K232 PolarHBondContact O-N 3.28Å
233	P	63	Low	56.7	Low	87 Å²	87	128.7 Å²	128.7	57%	0.565	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-56.5	146.1	173.9	24.1	-31.8	0	0	0	110.8	F217 K235	F217-P233 HydrophobicContact CE1-CB 4.04Å; F217-P233 HydrophobicContact CZ-CB 3.94Å; P233-K235 PolarHBondContact O-N 3.44Å
234	P	60.7	Low	56.3	Low	79 Å²	79	125.9 Å²	125.9	51%	0.513	73%	0.725	S	S	.	*	P	Polyproline II helix	trans	-53	129.5	171.3	22.1	-31.9	0	0	0	107.5	F217 T236	F217-P234 HydrophobicContact CB-CG 4.32Å; F217-P234 HydrophobicContact CD2-CG 4.19Å; F217-P234 HydrophobicContact CG-CG 4.15Å; P234-T236 PolarHBondContact O-N 3.01Å
235	K	61.8	Low	56.1	Low	199 Å²	199	129.6 Å²	129.6	87%	0.865	75%	0.745	S	S	*	*			trans	-56.9	115.6	175.5	-69.1	-174.2	178.6	-178.7	0	106.7	P233 K237	P233-K235 PolarHBondContact O-N 3.44Å; K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 2.68Å
236	T	58.8	Low	56.3	Low	136 Å²	136	131.1 Å²	131.1	83%	0.834	75%	0.747	S	S	*	*			trans	-57.6	101.6	161.5	23.1	0	0	0	0	105.7	P234 M238	P234-T236 PolarHBondContact O-N 3.01Å; T236-M238 VanDerWaalsContact C-N 3.34Å; T236-M238 PolarHBondContact O-N 2.65Å
237	K	57.9	Low	56.6	Low	195 Å²	195	127.3 Å²	127.3	85%	0.848	74%	0.74	S	S	*	*			trans	-61	108.5	162.1	-76.7	-172.2	176.9	-177.4	0	104.3	K235 E239	K235-K237 VanDerWaalsContact C-N 3.29Å; K235-K237 PolarHBondContact O-N 2.68Å; K237-E239 VanDerWaalsContact C-N 3.31Å; K237-E239 PolarHBondContact O-N 3.17Å
238	M	56.8	Low	57.3	Low	164 Å²	164	131.7 Å²	131.7	81%	0.808	75%	0.75	S	S	*	*			trans	-57	106.4	163.4	-98.4	168.5	59.5	0	0	105.1	T236 Q240	T236-M238 VanDerWaalsContact C-N 3.34Å; T236-M238 PolarHBondContact O-N 2.65Å; M238-Q240 VanDerWaalsContact C-N 3.33Å; M238-Q240 PolarHBondContact O-N 2.9Å
239	E	60.4	Low	58.1	Low	107 Å²	107	130.9 Å²	130.9	50%	0.5	75%	0.751	S	S	.	*			trans	-58.1	107.4	161.8	-75.7	178	167.2	0	0	105	R210 K237 R241	R210-E239 IonicContact NH1-OE2 3.46Å; R210-E239 PolarHBondContact NH1-OE2 3.31Å; K237-E239 VanDerWaalsContact C-N 3.31Å; K237-E239 PolarHBondContact O-N 3.17Å; E239-R241 PolarHBondContact O-N 3.34Å
240	Q	60.5	Low	58.8	Low	167 Å²	167	134.4 Å²	134.4	78%	0.78	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.2	120.5	179.8	-68.2	-162.2	-10	0	0	107.3	M238 P242	M238-Q240 VanDerWaalsContact C-N 3.33Å; M238-Q240 PolarHBondContact O-N 2.9Å; Q240-P242 WeakPolarHBondContact O-CD 3.35Å
241	R	57.1	Low	58.9	Low	172 Å²	172	139.2 Å²	139.2	65%	0.649	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-67.7	122.2	159.7	-173.5	179.2	177.7	-167.9	0.9	105.6	D196 W199 E239 G243	D196-R241 IonicContact OD1-NH2 3.21Å; W199-R241 HydrophobicContact CZ2-CB 4.31Å; E239-R241 PolarHBondContact O-N 3.34Å; R241-G243 PolarHBondContact O-N 2.75Å
242	P	56.6	Low	59	Low	67 Å²	67	142.3 Å²	142.3	44%	0.435	76%	0.762	S	S	.	*	P	Polyproline II helix	trans	-63.3	133.2	169.3	12.4	-7.5	0	0	0	108.1	Y195 Q240	Y195-P242 HydrophobicContact CE1-CG 3.7Å; Y195-P242 WeakPolarHBondContact OH-CG 3.48Å; Q240-P242 WeakPolarHBondContact O-CD 3.35Å
243	G	49.6	Very low	58.5	Low	150 Å²	150	138.5 Å²	138.5	100%	1.546	76%	0.759	S	S	*	*			trans	-71.7	0	173.1	0	0	0	0	0	112.3	R241	R241-G243 PolarHBondContact O-N 2.75Å

Retrieved 243 of 243 residues in 71.8 ms (Link to these results)

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