G4VA50_SCHMA Loading...

Putative tetratricopeptide protein

AlphaFold DB , UniProt , Accession G4VA50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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	33.4	Very low	40.9	Very low	244 Å²	244	102.3 Å²	102.3	100%	1.202	60%	0.598	S	S	*	*				0	91.7	0	-65.7	-176.3	-174.8	0	0	107	S3	M1-S3 PolarHBondContact O-N 2.93Å
2	S	30.6	Very low	40.8	Very low	119 Å²	119	107.6 Å²	107.6	83%	0.832	61%	0.613	S	S	*	*			trans	-87.3	100.6	176.8	-169.2	0	0	0	0	106.9	C4	S2-C4 VanDerWaalsContact C-N 3.26Å; S2-C4 PolarHBondContact O-N 3.14Å
3	S	31.3	Very low	40.6	Very low	105 Å²	105	109.8 Å²	109.8	73%	0.734	62%	0.621	S	S	*	*			trans	-72.9	87.8	171.2	60.7	0	0	0	0	107.5	M1 S5	M1-S3 PolarHBondContact O-N 2.93Å; S3-S5 VanDerWaalsContact C-N 3.33Å; S3-S5 PolarHBondContact O-N 3.49Å; S3-S5 PolarHBondContact O-OG 2.83Å
4	C	34.4	Very low	40.4	Very low	111 Å²	111	107.4 Å²	107.4	75%	0.75	60%	0.601	S	S	*	*			trans	-58.2	105.4	166.2	-127.6	0	0	0	0	106.1	S2 D6	S2-C4 VanDerWaalsContact C-N 3.26Å; S2-C4 PolarHBondContact O-N 3.14Å; C4-D6 PolarHBondContact O-N 2.98Å
5	S	34.7	Very low	39.9	Very low	107 Å²	107	107.9 Å²	107.9	75%	0.748	61%	0.614	S	S	*	*			trans	-77.1	79	178.2	-53.4	0	0	0	0	105.5	S3 E7	S3-S5 VanDerWaalsContact C-N 3.33Å; S3-S5 PolarHBondContact O-N 3.49Å; S3-S5 PolarHBondContact O-OG 2.83Å; S5-E7 PolarHBondContact O-N 2.97Å; S5-E7 VanDerWaalsContact O-N 3.13Å
6	D	43.8	Very low	39.7	Very low	79 Å²	79	106.7 Å²	106.7	42%	0.422	61%	0.612	S	S	.	*			trans	-53.8	120.1	177.7	-103	-40.3	0	0	0	108.1	C4 F8 K72	C4-D6 PolarHBondContact O-N 2.98Å; D6-F8 PolarHBondContact O-N 3.14Å; D6-K72 IonicContact OD1-NZ 3.67Å; D6-K72 PolarHBondContact OD1-NZ 3.37Å
7	E	43.7	Very low	39.2	Very low	163 Å²	163	104.6 Å²	104.6	76%	0.762	62%	0.619	S	S	*	*			trans	-64.9	79.3	173.6	-77.2	-171.2	166.4	0	0	108.9	S5	S5-E7 PolarHBondContact O-N 2.97Å; S5-E7 VanDerWaalsContact O-N 3.13Å
8	F	51.9	Low	38.7	Very low	36 Å²	36	105.1 Å²	105.1	16%	0.158	63%	0.629	C	S	.	*			trans	-64.8	141.9	-176.3	-172.4	-88.1	0	0	0	110.4	D6 D10 Y140 K142	D6-F8 PolarHBondContact O-N 3.14Å; F8-D10 PolarHBondContact O-N 2.83Å; F8-Y140 WeakPolarHBondContact CD2-OH 3.34Å; F8-Y140 HydrophobicContact CE2-CE2 4.4Å; F8-Y140 WeakPolarHBondContact CE2-OH 3.5Å; F8-K142 VanDerWaalsContact CB-NZ 3.34Å; F8-K142 HydrophobicContact CD1-CD 3.58Å; F8-K142 HydrophobicContact CD2-CD 3.89Å; F8-K142 HydrophobicContact CE1-CB 4.42Å; F8-K142 HydrophobicContact CE1-CD 3.47Å; F8-K142 VanDerWaalsContact CE1-CD 3.47Å; F8-K142 HydrophobicContact CE1-CG 4.44Å; F8-K142 HydrophobicContact CE2-CB 4.34Å; F8-K142 HydrophobicContact CE2-CD 3.8Å; F8-K142 HydrophobicContact CG-CD 3.79Å; F8-K142 HydrophobicContact CZ-CB 3.91Å; F8-K142 HydrophobicContact CZ-CD 3.57Å; F8-K142 HydrophobicContact CZ-CG 4.35Å
9	V	54.9	Low	38.5	Very low	10 Å²	10	105.5 Å²	105.5	6%	0.061	63%	0.634	C	S	.	*			trans	-70	103.1	175.7	-178.5	0	0	0	0	108.8	A11 N76 F79	V9-A11 PolarHBondContact O-N 3.25Å; V9-N76 HydrophobicContact CG2-CB 3.82Å; V9-N76 WeakPolarHBondContact CG2-OD1 3.38Å; V9-F79 HydrophobicContact CG1-CD1 3.29Å; V9-F79 HydrophobicContact CG1-CE1 3.48Å; V9-F79 VanDerWaalsContact CG1-CE1 3.48Å; V9-F79 HydrophobicContact CG1-CG 4.16Å; V9-F79 HydrophobicContact CG1-CZ 4.49Å
10	D	48.5	Very low	38.4	Very low	117 Å²	117	106.4 Å²	106.4	63%	0.626	64%	0.643	S	S	*	*			trans	-65	82	173.1	-83.7	-20.9	0	0	0	110.3	F8 Q12	F8-D10 PolarHBondContact O-N 2.83Å; D10-Q12 HydrophobicContact CB-CG 4.49Å; D10-Q12 PolarHBondContact O-N 2.84Å
11	A	42.6	Very low	38.3	Very low	34 Å²	34	110.5 Å²	110.5	28%	0.281	66%	0.655	S	S	.	*			trans	-78.3	69	162.6	0	0	0	0	0	108.4	V9 D13 F79	V9-A11 PolarHBondContact O-N 3.25Å; A11-D13 PolarHBondContact O-N 2.78Å; A11-F79 HydrophobicContact CB-CE1 4.49Å; A11-F79 HydrophobicContact CB-CZ 4.48Å
12	Q	39.4	Very low	38.3	Very low	166 Å²	166	104.7 Å²	104.7	78%	0.776	64%	0.638	S	S	*	*			trans	-71.2	-10.1	171.8	-75.9	-164.4	-8.5	0	0	113.1	D10 F14	D10-Q12 HydrophobicContact CB-CG 4.49Å; D10-Q12 PolarHBondContact O-N 2.84Å; Q12-F14 PolarHBondContact O-N 2.75Å
13	D	38.6	Very low	38.8	Very low	136 Å²	136	104.4 Å²	104.4	73%	0.727	64%	0.636	S	S	*	*			trans	-94.6	81.1	-179.8	-68.2	-27.8	0	0	0	112.2	A11 K119	A11-D13 PolarHBondContact O-N 2.78Å; D13-K119 PolarHBondContact O-NZ 3.22Å
14	F	38.3	Very low	38.9	Very low	77 Å²	77	105.8 Å²	105.8	34%	0.338	64%	0.641	S	S	.	*			trans	-116.2	98.6	158	-176	-90.6	0	0	0	109.1	Q12 P16 T149	Q12-F14 PolarHBondContact O-N 2.75Å; F14-P16 HydrophobicContact CD1-CB 4.49Å; F14-P16 HydrophobicContact CD1-CG 4.37Å; F14-P16 HydrophobicContact CE1-CB 3.48Å; F14-P16 VanDerWaalsContact CE1-CB 3.48Å; F14-P16 VanDerWaalsContact CE1-CD 3.42Å; F14-P16 HydrophobicContact CE1-CG 3.67Å; F14-P16 HydrophobicContact CZ-CB 3.71Å; F14-P16 HydrophobicContact CZ-CG 4.41Å; F14-T149 HydrophobicContact CD1-CG2 3.44Å; F14-T149 VanDerWaalsContact CD1-CG2 3.44Å; F14-T149 HydrophobicContact CD2-CG2 4.1Å; F14-T149 HydrophobicContact CE1-CG2 2.97Å; F14-T149 HydrophobicContact CE2-CG2 3.71Å; F14-T149 HydrophobicContact CG-CG2 3.99Å; F14-T149 HydrophobicContact CZ-CG2 3.14Å
15	S	31.9	Very low	39	Very low	114 Å²	114	107.5 Å²	107.5	80%	0.797	64%	0.642	S	S	*	*			trans	-97.8	114	155.1	-84.7	0	0	0	0	106.9	G17	S15-G17 PolarHBondContact O-N 2.8Å
16	P	37.3	Very low	38.9	Very low	89 Å²	89	111.8 Å²	111.8	58%	0.578	65%	0.648	S	S	*	*			trans	-61.2	114.8	171.8	21.6	-24.5	0	0	0	107.8	F14	F14-P16 HydrophobicContact CD1-CB 4.49Å; F14-P16 HydrophobicContact CD1-CG 4.37Å; F14-P16 HydrophobicContact CE1-CB 3.48Å; F14-P16 VanDerWaalsContact CE1-CB 3.48Å; F14-P16 VanDerWaalsContact CE1-CD 3.42Å; F14-P16 HydrophobicContact CE1-CG 3.67Å; F14-P16 HydrophobicContact CZ-CB 3.71Å; F14-P16 HydrophobicContact CZ-CG 4.41Å
17	G	30.5	Very low	38.4	Very low	71 Å²	71	116.6 Å²	116.6	73%	0.732	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-57.9	140.1	167.6	0	0	0	0	0	109.5	S15	S15-G17 PolarHBondContact O-N 2.8Å
18	S	30.8	Very low	37.9	Very low	113 Å²	113	117 Å²	117	79%	0.79	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-52	140.2	179.8	-56.9	0	0	0	0	111.4
19	P	35.6	Very low	37	Very low	113 Å²	113	120.2 Å²	120.2	73%	0.734	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-64.2	132.7	-174.5	24.9	-31.2	0	0	0	110.3
20	P	36.1	Very low	36	Very low	124 Å²	124	125.7 Å²	125.7	81%	0.805	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-69.2	141.8	171.8	27.4	-30.6	0	0	0	110.2
21	E	37	Very low	35.4	Very low	192 Å²	192	124.1 Å²	124.1	90%	0.897	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-58.3	141.3	178.4	-67.7	-175.4	160.9	0	0	111.6	S23	E21-S23 PolarHBondContact O-N 3.44Å
22	S	33.5	Very low	35.5	Very low	122 Å²	122	131 Å²	131	85%	0.853	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-56	119.3	-175.8	58.2	0	0	0	0	112.9
23	S	39.5	Very low	35.4	Very low	114 Å²	114	129.5 Å²	129.5	80%	0.797	75%	0.753	S	S	*	*			trans	-125.1	122	152.3	63.5	0	0	0	0	109.1	E21	E21-S23 PolarHBondContact O-N 3.44Å
24	T	33.6	Very low	35.6	Very low	134 Å²	134	127.3 Å²	127.3	82%	0.822	74%	0.744	S	S	*	*			trans	-63.3	167.4	-178.3	44.6	0	0	0	0	114.2
25	D	36.1	Very low	35.3	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	77%	0.77	S	S	*	*			trans	79.5	99.8	175.7	-83.5	-21.5	0	0	0	117.4
26	F	33.2	Very low	35.6	Very low	197 Å²	197	132.2 Å²	132.2	86%	0.864	76%	0.764	S	S	*	*			trans	-149.6	111.2	132	-128.5	-90.6	0	0	0	110.7
27	K	33.1	Very low	35.6	Very low	180 Å²	180	135.8 Å²	135.8	78%	0.783	77%	0.773	S	S	*	*			trans	-88.5	124.7	157.8	-72.5	177.7	179.6	173.7	0	107
28	E	33.8	Very low	35.9	Very low	170 Å²	170	140.2 Å²	140.2	79%	0.794	78%	0.78	S	S	*	*			trans	154.1	130.2	133.6	-89.5	179.4	164	0	0	108.4	V30	E28-V30 VanDerWaalsContact C-N 3.34Å; E28-V30 WeakPolarHBondContact O-CG2 3.28Å; E28-V30 PolarHBondContact O-N 2.82Å
29	A	33.4	Very low	36.6	Very low	104 Å²	104	142.2 Å²	142.2	86%	0.86	78%	0.781	S	S	*	*			trans	-63.2	98.5	172.9	0	0	0	0	0	107.6	S31	A29-S31 VanDerWaalsContact C-N 3.3Å; A29-S31 PolarHBondContact O-N 3.19Å
30	V	34	Very low	36.9	Very low	125 Å²	125	141.2 Å²	141.2	76%	0.758	79%	0.791	S	S	*	*			trans	-71.3	95.4	171.3	-156	0	0	0	0	105.8	E28 F32	E28-V30 VanDerWaalsContact C-N 3.34Å; E28-V30 WeakPolarHBondContact O-CG2 3.28Å; E28-V30 PolarHBondContact O-N 2.82Å; V30-F32 PolarHBondContact O-N 3.47Å
31	S	35.1	Very low	37.6	Very low	84 Å²	84	138.1 Å²	138.1	59%	0.587	78%	0.782	S	S	*	*			trans	-54.2	120.5	154.1	46.1	0	0	0	0	106.1	A29 D33	A29-S31 VanDerWaalsContact C-N 3.3Å; A29-S31 PolarHBondContact O-N 3.19Å; S31-D33 PolarHBondContact O-N 3.1Å
32	F	44.4	Very low	38.6	Very low	179 Å²	179	138.4 Å²	138.4	79%	0.785	78%	0.783	S	S	*	*			trans	-67	81.1	176.8	-179.6	-100.5	0	0	0	108.2	V30 T34	V30-F32 PolarHBondContact O-N 3.47Å; F32-T34 HydrophobicContact CD1-CG2 4.24Å; F32-T34 HydrophobicContact CE1-CG2 3.73Å; F32-T34 HydrophobicContact CZ-CG2 4.5Å; F32-T34 PolarHBondContact O-N 3.12Å
33	D	38.1	Very low	40.4	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	78%	0.775	S	S	*	*			trans	-74.1	107.4	163.4	-82.3	-25.8	0	0	0	106.4	S31 F35	S31-D33 PolarHBondContact O-N 3.1Å; D33-F35 PolarHBondContact O-N 3.33Å
34	T	42	Very low	42.2	Very low	90 Å²	90	139.4 Å²	139.4	55%	0.552	76%	0.761	S	S	*	*			trans	-47.1	107.4	167.5	37	0	0	0	0	109.8	F32 S36	F32-T34 HydrophobicContact CD1-CG2 4.24Å; F32-T34 HydrophobicContact CE1-CG2 3.73Å; F32-T34 HydrophobicContact CZ-CG2 4.5Å; F32-T34 PolarHBondContact O-N 3.12Å; T34-S36 PolarHBondContact O-N 2.95Å
35	F	33.2	Very low	44.8	Very low	198 Å²	198	136.6 Å²	136.6	87%	0.868	74%	0.743	S	S	*	*			trans	-72.1	85.4	166.5	-139.9	-89.3	0	0	0	107.3	D33	D33-F35 PolarHBondContact O-N 3.33Å
36	S	36.7	Very low	47.1	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	73%	0.732	S	S	*	*			trans	-114.5	103.9	166.3	-163.7	0	0	0	0	108.3	T34 N38	T34-S36 PolarHBondContact O-N 2.95Å; S36-N38 PolarHBondContact O-N 3.33Å
37	E	38.1	Very low	49.7	Very low	163 Å²	163	130.9 Å²	130.9	76%	0.762	72%	0.717	S	S	*	*			trans	-53.7	128.8	166.6	-68.3	179.7	150.3	0	0	109.8	N39	E37-N39 PolarHBondContact O-N 3.16Å
38	N	36.9	Very low	52.4	Low	165 Å²	165	125.8 Å²	125.8	88%	0.882	70%	0.698	S	S	*	*			trans	21.9	86.3	155.3	-84.5	-17.4	0	0	0	116.7	S36	S36-N38 PolarHBondContact O-N 3.33Å
39	N	46.1	Very low	55	Low	154 Å²	154	120.8 Å²	120.8	82%	0.824	67%	0.674	S	S	*	*			trans	-137.8	114.8	140.5	-123.5	-18	0	0	0	107	E37 G41	E37-N39 PolarHBondContact O-N 3.16Å; N39-G41 PolarHBondContact O-N 3.11Å
40	G	41.5	Very low	57.7	Low	92 Å²	92	120 Å²	120	95%	0.948	65%	0.651	S	S	*	*			trans	-70	42	-171.6	0	0	0	0	0	115.3
41	G	50	Low	60.3	Low	59 Å²	59	118.4 Å²	118.4	61%	0.608	64%	0.638	S	S	*	*	S	Bend	trans	-99.3	124.2	162.4	0	0	0	0	0	108.4	N39 E43	N39-G41 PolarHBondContact O-N 3.11Å; G41-E43 PolarHBondContact O-N 3.08Å
42	E	58.7	Low	62.9	Low	198 Å²	198	117.7 Å²	117.7	93%	0.925	63%	0.625	S	S	*	*			trans	-55.8	112.7	166.7	-70.2	174.7	169.2	0	0	108	K44	E42-K44 PolarHBondContact O-N 2.74Å
43	E	70.1	Confident	65	Low	144 Å²	144	109.7 Å²	109.7	67%	0.673	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-65.4	118.4	175.7	-171.5	170.1	-172.5	0	0	108	G41 T45	G41-E43 PolarHBondContact O-N 3.08Å; E43-T45 PolarHBondContact O-N 3.1Å
44	K	77.3	Confident	67.5	Low	114 Å²	114	110 Å²	110	50%	0.496	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-57.6	130	-179.2	-65.7	-168.6	-172.6	-173.2	0	109.8	E42 D48 K49 E52	E42-K44 PolarHBondContact O-N 2.74Å; K44-D48 HydrophobicContact CB-CB 4.2Å; K44-K49 HydrophobicContact CB-CG 4.26Å; K44-E52 IonicContact NZ-OE2 2.63Å; K44-E52 PolarHBondContact NZ-OE2 3.47Å
45	T	88.1	Confident	69.8	Low	75 Å²	75	110.3 Å²	110.3	46%	0.46	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-66.9	163.3	176.9	70.9	0	0	0	0	110.8	E43 E47 D48 K49	E43-T45 PolarHBondContact O-N 3.1Å; T45-E47 PolarHBondContact O-N 2.85Å; T45-D48 WeakPolarHBondContact CB-OD2 3.36Å; T45-D48 WeakPolarHBondContact CG2-OD2 3.47Å; T45-D48 PolarHBondContact N-OD2 2.74Å; T45-D48 PolarHBondContact O-N 3.38Å; T45-D48 PolarHBondContact OG1-N 3.08Å; T45-D48 PolarHBondContact OG1-OD2 3Å; T45-K49 PolarHBondContact O-N 3.46Å
46	I	85	Confident	72.6	Confident	109 Å²	109	102 Å²	102	56%	0.559	56%	0.558	S	S	*	*	H	α-helix	trans	-57.6	-36	174.6	-67.8	175.1	0	0	0	111	K49 K50 F100	I46-K49 PolarHBondContact O-N 3.46Å; I46-K50 HydrophobicContact CG2-CD 4.42Å; I46-K50 WeakPolarHBondContact O-CG 3.26Å; I46-K50 PolarHBondContact O-N 2.7Å; I46-F100 HydrophobicContact CG2-CE1 4.01Å; I46-F100 HydrophobicContact CG2-CZ 4.04Å
47	E	88.7	Confident	75.4	Confident	114 Å²	114	101 Å²	101	53%	0.533	55%	0.548	S	S	.	.	H	α-helix	trans	-69.1	-39.7	179.4	-161.2	63.4	-169.2	0	0	111.5	T45 K49 K50 L51	T45-E47 PolarHBondContact O-N 2.85Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 2.98Å; E47-K50 PolarHBondContact O-N 2.67Å; E47-L51 HydrophobicContact CG-CD1 4.37Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.95Å
48	D	89.7	Confident	78	Confident	74 Å²	74	98.3 Å²	98.3	40%	0.396	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-41.8	173.9	-57.4	-43.3	0	0	0	111.4	K44 T45 K50 L51 E52	K44-D48 HydrophobicContact CB-CB 4.2Å; T45-D48 WeakPolarHBondContact CB-OD2 3.36Å; T45-D48 WeakPolarHBondContact CG2-OD2 3.47Å; T45-D48 PolarHBondContact N-OD2 2.74Å; T45-D48 PolarHBondContact O-N 3.38Å; T45-D48 PolarHBondContact OG1-N 3.08Å; T45-D48 PolarHBondContact OG1-OD2 3Å; D48-K50 VanDerWaalsContact C-N 3.32Å; D48-K50 PolarHBondContact O-N 2.95Å; D48-L51 PolarHBondContact O-N 2.89Å; D48-E52 WeakPolarHBondContact O-CB 3.44Å; D48-E52 PolarHBondContact O-N 3.39Å
49	K	88.4	Confident	80.8	Confident	64 Å²	64	97.4 Å²	97.4	28%	0.278	53%	0.532	S	S	.	.	H	α-helix	trans	-63.8	-36.8	176.5	-67.3	-177.8	178.7	178.7	0	111.6	K44 T45 I46 E47 E53 D96 F100	K44-K49 HydrophobicContact CB-CG 4.26Å; T45-K49 PolarHBondContact O-N 3.46Å; I46-K49 PolarHBondContact O-N 3.46Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 2.98Å; K49-E53 PolarHBondContact O-N 3.43Å; K49-E53 VanDerWaalsContact O-N 3.15Å; K49-D96 IonicContact NZ-OD1 3.8Å; K49-D96 PolarHBondContact NZ-OD1 2.84Å; K49-F100 HydrophobicContact CB-CE2 3.71Å; K49-F100 HydrophobicContact CB-CZ 4.03Å
50	K	89	Confident	83.1	Confident	87 Å²	87	94 Å²	94	38%	0.378	51%	0.511	S	S	.	.	H	α-helix	trans	-68.8	-44	176	-75.4	175.6	-177.9	174.1	0	112.4	I46 E47 D48 E52 E53 E54 F100	I46-K50 HydrophobicContact CG2-CD 4.42Å; I46-K50 WeakPolarHBondContact O-CG 3.26Å; I46-K50 PolarHBondContact O-N 2.7Å; E47-K50 PolarHBondContact O-N 2.67Å; D48-K50 VanDerWaalsContact C-N 3.32Å; D48-K50 PolarHBondContact O-N 2.95Å; K50-E52 VanDerWaalsContact C-N 3.32Å; K50-E52 PolarHBondContact O-N 3.36Å; K50-E53 WeakPolarHBondContact O-CB 3.43Å; K50-E53 PolarHBondContact O-N 2.85Å; K50-E53 VanDerWaalsContact O-N 3.15Å; K50-E54 PolarHBondContact O-N 3.35Å; K50-E54 VanDerWaalsContact O-N 3.17Å; K50-F100 HydrophobicContact CB-CD2 4.37Å; K50-F100 HydrophobicContact CB-CE2 4.45Å; K50-F100 HydrophobicContact CG-CB 4.49Å; K50-F100 HydrophobicContact CG-CD1 4.16Å; K50-F100 HydrophobicContact CG-CD2 3.54Å; K50-F100 HydrophobicContact CG-CE1 4.25Å; K50-F100 HydrophobicContact CG-CE2 3.65Å; K50-F100 HydrophobicContact CG-CG 3.81Å; K50-F100 HydrophobicContact CG-CZ 4.01Å
51	L	89.9	Confident	85.6	Confident	93 Å²	93	90.5 Å²	90.5	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-40.6	175.9	-78.3	157.9	0	0	0	111.6	E47 D48 E53 E54	E47-L51 HydrophobicContact CG-CD1 4.37Å; E47-L51 WeakPolarHBondContact O-CG 3.49Å; E47-L51 PolarHBondContact O-N 2.95Å; D48-L51 PolarHBondContact O-N 2.89Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 2.8Å; L51-E54 WeakPolarHBondContact O-CB 3.44Å; L51-E54 PolarHBondContact O-N 3.47Å
52	E	88.4	Confident	87.8	Confident	68 Å²	68	92.3 Å²	92.3	32%	0.318	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-41.3	173.9	-171	-178	150.1	0	0	111.3	K44 D48 K50 E54 S55 R64	K44-E52 IonicContact NZ-OE2 2.63Å; K44-E52 PolarHBondContact NZ-OE2 3.47Å; D48-E52 WeakPolarHBondContact O-CB 3.44Å; D48-E52 PolarHBondContact O-N 3.39Å; K50-E52 VanDerWaalsContact C-N 3.32Å; K50-E52 PolarHBondContact O-N 3.36Å; E52-E54 VanDerWaalsContact C-N 3.27Å; E52-E54 PolarHBondContact O-N 3.37Å; E52-S55 PolarHBondContact O-N 3.47Å; E52-S55 VanDerWaalsContact O-N 3.13Å; E52-S55 PolarHBondContact O-OG 2.91Å; E52-R64 IonicContact OE1-NH2 3.52Å
53	E	89.1	Confident	89.6	Confident	12 Å²	12	88.5 Å²	88.5	6%	0.056	45%	0.446	C	S	.	.	H	α-helix	trans	-63.7	-28.3	177.1	-178.9	174.8	132.9	0	0	113.7	K49 K50 L51 S55 L56 P99 F100 K101	K49-E53 PolarHBondContact O-N 3.43Å; K49-E53 VanDerWaalsContact O-N 3.15Å; K50-E53 WeakPolarHBondContact O-CB 3.43Å; K50-E53 PolarHBondContact O-N 2.85Å; K50-E53 VanDerWaalsContact O-N 3.15Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 2.8Å; E53-S55 PolarHBondContact O-N 2.86Å; E53-L56 HydrophobicContact CB-CD1 4.42Å; E53-L56 HydrophobicContact CG-CD1 4.34Å; E53-L56 WeakPolarHBondContact O-CB 3.45Å; E53-L56 PolarHBondContact O-N 3.34Å; E53-P99 WeakPolarHBondContact OE2-CA 3.46Å; E53-P99 WeakPolarHBondContact OE2-CB 3.25Å; E53-F100 VanDerWaalsContact CD-N 3.33Å; E53-F100 PolarHBondContact OE1-N 3.11Å; E53-F100 VanDerWaalsContact OE2-CD2 3.32Å; E53-F100 WeakPolarHBondContact OE2-CD2 3.31Å; E53-F100 PolarHBondContact OE2-N 2.95Å; E53-K101 VanDerWaalsContact OE1-CG 3.27Å; E53-K101 WeakPolarHBondContact OE1-CG 3.47Å; E53-K101 PolarHBondContact OE1-N 3.49Å
54	E	90.8	Very high	90.8	Very high	142 Å²	142	85.9 Å²	85.9	66%	0.664	43%	0.43	S	S	*	.	H	α-helix	trans	-64.4	-26.4	175.2	-66.9	-175	170.1	0	0	112.8	K50 L51 E52	K50-E54 PolarHBondContact O-N 3.35Å; K50-E54 VanDerWaalsContact O-N 3.17Å; L51-E54 WeakPolarHBondContact O-CB 3.44Å; L51-E54 PolarHBondContact O-N 3.47Å; E52-E54 VanDerWaalsContact C-N 3.27Å; E52-E54 PolarHBondContact O-N 3.37Å
55	S	91.2	Very high	91.7	Very high	95 Å²	95	84 Å²	84	66%	0.664	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.7	177.2	74	0	0	0	0	114	E52 E53	E52-S55 PolarHBondContact O-N 3.47Å; E52-S55 VanDerWaalsContact O-N 3.13Å; E52-S55 PolarHBondContact O-OG 2.91Å; E53-S55 PolarHBondContact O-N 2.86Å
56	L	91.1	Very high	92.2	Very high	25 Å²	25	84.6 Å²	84.6	13%	0.131	42%	0.42	C	S	.	.	S	Bend	trans	-76.7	140.9	-178.5	-62.1	175.7	0	0	0	111.6	E53 E60 I61	E53-L56 HydrophobicContact CB-CD1 4.42Å; E53-L56 HydrophobicContact CG-CD1 4.34Å; E53-L56 WeakPolarHBondContact O-CB 3.45Å; E53-L56 PolarHBondContact O-N 3.34Å; L56-E60 HydrophobicContact CB-CB 4.27Å; L56-E60 HydrophobicContact CD2-CB 4.26Å; L56-I61 HydrophobicContact CB-CD1 4.39Å; L56-I61 HydrophobicContact CB-CG1 3.95Å; L56-I61 HydrophobicContact CD1-CG1 4.49Å
57	T	94.5	Very high	92.8	Very high	75 Å²	75	83.2 Å²	83.2	46%	0.46	41%	0.413	S	S	.	.			trans	-69.1	160.6	169.9	64.7	0	0	0	0	111	Q59 E60 I61	T57-Q59 PolarHBondContact O-N 2.93Å; T57-E60 WeakPolarHBondContact CB-OE2 3.21Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.19Å; T57-E60 PolarHBondContact N-OE2 3.16Å; T57-E60 PolarHBondContact O-N 2.94Å; T57-E60 VanDerWaalsContact OG1-CD 3.28Å; T57-E60 VanDerWaalsContact OG1-CG 3.28Å; T57-E60 WeakPolarHBondContact OG1-CG 3.47Å; T57-E60 PolarHBondContact OG1-N 2.98Å; T57-E60 PolarHBondContact OG1-OE2 3.37Å; T57-I61 WeakPolarHBondContact O-CG1 3.46Å; T57-I61 PolarHBondContact O-N 3.47Å
58	V	93.8	Very high	93.2	Very high	105 Å²	105	77.8 Å²	77.8	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-56.9	-39.8	175.2	177.8	0	0	0	0	111.2	I61 E62	V58-I61 PolarHBondContact O-N 3.2Å; V58-E62 HydrophobicContact CG1-CG 4.49Å; V58-E62 WeakPolarHBondContact O-CG 3.45Å; V58-E62 PolarHBondContact O-N 3.05Å
59	Q	95	Very high	93.6	Very high	147 Å²	147	76 Å²	76	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-64.8	-42.1	179.4	-173.8	178.5	-3.5	0	0	112.1	T57 I61 E62 E63	T57-Q59 PolarHBondContact O-N 2.93Å; Q59-I61 VanDerWaalsContact C-N 3.34Å; Q59-E62 PolarHBondContact O-N 3.12Å; Q59-E63 WeakPolarHBondContact O-CB 3.49Å; Q59-E63 PolarHBondContact O-N 3.25Å
60	E	94.5	Very high	94	Very high	81 Å²	81	75.2 Å²	75.2	38%	0.379	39%	0.385	S	S	.	.	H	α-helix	trans	-67.1	-35.9	176.7	-71.4	161.9	141.2	0	0	111.9	L56 T57 R64	L56-E60 HydrophobicContact CB-CB 4.27Å; L56-E60 HydrophobicContact CD2-CB 4.26Å; T57-E60 WeakPolarHBondContact CB-OE2 3.21Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.19Å; T57-E60 PolarHBondContact N-OE2 3.16Å; T57-E60 PolarHBondContact O-N 2.94Å; T57-E60 VanDerWaalsContact OG1-CD 3.28Å; T57-E60 VanDerWaalsContact OG1-CG 3.28Å; T57-E60 WeakPolarHBondContact OG1-CG 3.47Å; T57-E60 PolarHBondContact OG1-N 2.98Å; T57-E60 PolarHBondContact OG1-OE2 3.37Å; E60-R64 WeakPolarHBondContact O-CB 3.44Å; E60-R64 VanDerWaalsContact O-CG 3.31Å; E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 2.84Å
61	I	94.8	Very high	94.5	Very high	20 Å²	20	71.3 Å²	71.3	10%	0.103	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-46.3	173.9	-69.7	166.4	0	0	0	110.3	L56 T57 V58 Q59 R64 R65 P99 K101	L56-I61 HydrophobicContact CB-CD1 4.39Å; L56-I61 HydrophobicContact CB-CG1 3.95Å; L56-I61 HydrophobicContact CD1-CG1 4.49Å; T57-I61 WeakPolarHBondContact O-CG1 3.46Å; T57-I61 PolarHBondContact O-N 3.47Å; V58-I61 PolarHBondContact O-N 3.2Å; Q59-I61 VanDerWaalsContact C-N 3.34Å; I61-R64 PolarHBondContact O-N 3.11Å; I61-R65 WeakPolarHBondContact O-CB 3.37Å; I61-R65 PolarHBondContact O-N 3.12Å; I61-P99 HydrophobicContact CG2-CB 3.99Å; I61-P99 HydrophobicContact CG2-CG 3.96Å; I61-P99 WeakPolarHBondContact O-CG 3.48Å; I61-K101 HydrophobicContact CD1-CD 3.99Å
62	E	95.2	Very high	94.9	Very high	97 Å²	97	67.3 Å²	67.3	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-43.2	178	-73.3	180	164.9	0	0	111.9	V58 Q59 R65 D66	V58-E62 HydrophobicContact CG1-CG 4.49Å; V58-E62 WeakPolarHBondContact O-CG 3.45Å; V58-E62 PolarHBondContact O-N 3.05Å; Q59-E62 PolarHBondContact O-N 3.12Å; E62-R65 WeakPolarHBondContact O-CB 3.29Å; E62-R65 PolarHBondContact O-N 3.18Å; E62-D66 VanDerWaalsContact O-CG 3.28Å; E62-D66 PolarHBondContact O-N 3.23Å
63	E	96.1	Very high	95.3	Very high	117 Å²	117	67.5 Å²	67.5	55%	0.547	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-46.4	176	-176.6	174.5	-169.4	0	0	111.6	Q59 R65 D66 I67	Q59-E63 WeakPolarHBondContact O-CB 3.49Å; Q59-E63 PolarHBondContact O-N 3.25Å; E63-R65 VanDerWaalsContact C-N 3.32Å; E63-R65 PolarHBondContact O-N 3.21Å; E63-D66 PolarHBondContact O-N 3Å; E63-I67 HydrophobicContact CG-CD1 4Å; E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.27Å; E63-I67 PolarHBondContact O-N 2.82Å
64	R	96.8	Very high	95.7	Very high	90 Å²	90	72.3 Å²	72.3	34%	0.34	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-40.5	175.9	-77.3	-171.5	-173.1	-157.3	5	112.1	E52 E60 I61 I67 A68 P99	E52-R64 IonicContact OE1-NH2 3.52Å; E60-R64 WeakPolarHBondContact O-CB 3.44Å; E60-R64 VanDerWaalsContact O-CG 3.31Å; E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 2.84Å; I61-R64 PolarHBondContact O-N 3.11Å; R64-I67 PolarHBondContact O-N 3.3Å; R64-A68 WeakPolarHBondContact O-CB 3.23Å; R64-A68 PolarHBondContact O-N 3.45Å; R64-P99 HydrophobicContact CB-CG 3.77Å
65	R	96.5	Very high	96.1	Very high	74 Å²	74	65.5 Å²	65.5	28%	0.279	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-48.9	173.7	-177.5	-159.3	67.8	-163.3	-6.2	110.8	I61 E62 E63 I67 A68 V69 C102 E105	I61-R65 WeakPolarHBondContact O-CB 3.37Å; I61-R65 PolarHBondContact O-N 3.12Å; E62-R65 WeakPolarHBondContact O-CB 3.29Å; E62-R65 PolarHBondContact O-N 3.18Å; E63-R65 VanDerWaalsContact C-N 3.32Å; E63-R65 PolarHBondContact O-N 3.21Å; R65-I67 PolarHBondContact O-N 3.43Å; R65-A68 WeakPolarHBondContact O-CB 3.3Å; R65-A68 PolarHBondContact O-N 2.97Å; R65-V69 WeakPolarHBondContact O-CG2 3.44Å; R65-V69 PolarHBondContact O-N 3.48Å; R65-C102 HydrophobicContact CG-CB 4.23Å; R65-E105 HydrophobicContact CG-CG 4.05Å
66	D	97.6	Very high	96.3	Very high	88 Å²	88	61.4 Å²	61.4	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-39.8	-177.1	-68.2	-5.8	0	0	0	111.6	E62 E63 V69 A70	E62-D66 VanDerWaalsContact O-CG 3.28Å; E62-D66 PolarHBondContact O-N 3.23Å; E63-D66 PolarHBondContact O-N 3Å; D66-V69 PolarHBondContact O-N 2.88Å; D66-A70 WeakPolarHBondContact O-CB 3.31Å; D66-A70 PolarHBondContact O-N 2.9Å
67	I	97.9	Very high	96.6	Very high	79 Å²	79	63.1 Å²	63.1	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-44.1	172.8	-62.5	167.2	0	0	0	110.4	E63 R64 R65 V69 A70 T71 L97	E63-I67 HydrophobicContact CG-CD1 4Å; E63-I67 VanDerWaalsContact O-CG1 3.28Å; E63-I67 WeakPolarHBondContact O-CG1 3.27Å; E63-I67 PolarHBondContact O-N 2.82Å; R64-I67 PolarHBondContact O-N 3.3Å; R65-I67 PolarHBondContact O-N 3.43Å; I67-V69 PolarHBondContact O-N 3.39Å; I67-A70 PolarHBondContact O-N 3.4Å; I67-T71 WeakPolarHBondContact O-CB 3.45Å; I67-T71 PolarHBondContact O-N 2.98Å; I67-T71 PolarHBondContact O-OG1 3.17Å; I67-T71 VanDerWaalsContact O-OG1 3.1Å; I67-L97 HydrophobicContact CG2-CD1 3.97Å
68	A	97.5	Very high	96.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-42.8	178.6	0	0	0	0	0	112.2	R64 R65 T71 K72 A94 L97 C98	R64-A68 WeakPolarHBondContact O-CB 3.23Å; R64-A68 PolarHBondContact O-N 3.45Å; R65-A68 WeakPolarHBondContact O-CB 3.3Å; R65-A68 PolarHBondContact O-N 2.97Å; A68-T71 PolarHBondContact O-N 2.88Å; A68-K72 WeakPolarHBondContact O-CB 3.36Å; A68-K72 PolarHBondContact O-N 3.35Å; A68-A94 WeakPolarHBondContact O-CB 3.34Å; A68-L97 HydrophobicContact CB-CB 4Å; A68-C98 HydrophobicContact CB-CB 3.68Å
69	V	97.6	Very high	96.9	Very high	38 Å²	38	58.8 Å²	58.8	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-45.8	175.1	172.1	0	0	0	0	110.7	R65 D66 I67 T71 K72 D73 E105	R65-V69 WeakPolarHBondContact O-CG2 3.44Å; R65-V69 PolarHBondContact O-N 3.48Å; D66-V69 PolarHBondContact O-N 2.88Å; I67-V69 PolarHBondContact O-N 3.39Å; V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 PolarHBondContact O-N 3.31Å; V69-K72 WeakPolarHBondContact O-CB 3.38Å; V69-K72 PolarHBondContact O-N 3.46Å; V69-D73 VanDerWaalsContact O-CG 3.32Å; V69-D73 PolarHBondContact O-N 2.87Å; V69-E105 HydrophobicContact CG2-CB 4.38Å; V69-E105 HydrophobicContact CG2-CG 3.87Å
70	A	97.8	Very high	97	Very high	47 Å²	47	58.1 Å²	58.1	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-37.3	176.7	0	0	0	0	0	112.6	D66 I67 D73 K74	D66-A70 WeakPolarHBondContact O-CB 3.31Å; D66-A70 PolarHBondContact O-N 2.9Å; I67-A70 PolarHBondContact O-N 3.4Å; A70-D73 PolarHBondContact O-N 3.42Å; A70-K74 WeakPolarHBondContact O-CG 3.39Å; A70-K74 PolarHBondContact O-N 3.49Å
71	T	98.3	Very high	97.1	Very high	4 Å²	4	58 Å²	58	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-70.4	-39.7	176.2	-63	0	0	0	0	111.7	I67 A68 V69 D73 K74 G75 K90 E93 A94 L97	I67-T71 WeakPolarHBondContact O-CB 3.45Å; I67-T71 PolarHBondContact O-N 2.98Å; I67-T71 PolarHBondContact O-OG1 3.17Å; I67-T71 VanDerWaalsContact O-OG1 3.1Å; A68-T71 PolarHBondContact O-N 2.88Å; V69-T71 VanDerWaalsContact C-N 3.32Å; V69-T71 PolarHBondContact O-N 3.31Å; T71-D73 VanDerWaalsContact C-N 3.28Å; T71-D73 PolarHBondContact O-N 3.2Å; T71-K74 WeakPolarHBondContact O-CB 3.24Å; T71-K74 PolarHBondContact O-N 3.43Å; T71-G75 PolarHBondContact O-N 3.36Å; T71-G75 VanDerWaalsContact O-N 3.09Å; T71-K90 HydrophobicContact CG2-CD 4.27Å; T71-K90 WeakPolarHBondContact CG2-O 3.29Å; T71-E93 HydrophobicContact CG2-CB 4Å; T71-E93 HydrophobicContact CG2-CG 3.91Å; T71-A94 HydrophobicContact CG2-CB 4.03Å; T71-L97 HydrophobicContact CG2-CD1 4.47Å
72	K	97.8	Very high	97.1	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-55.4	-44.3	168.9	169.9	-155	56.7	111.2	0	110.9	D6 A68 V69 K74 G75 N76 Y91 A94 V108 I109	D6-K72 IonicContact OD1-NZ 3.67Å; D6-K72 PolarHBondContact OD1-NZ 3.37Å; A68-K72 WeakPolarHBondContact O-CB 3.36Å; A68-K72 PolarHBondContact O-N 3.35Å; V69-K72 WeakPolarHBondContact O-CB 3.38Å; V69-K72 PolarHBondContact O-N 3.46Å; K72-K74 VanDerWaalsContact C-N 3.31Å; K72-K74 PolarHBondContact O-N 2.94Å; K72-G75 CarbonylContact O-C 3.27Å; K72-G75 VanDerWaalsContact O-CA 3.29Å; K72-G75 WeakPolarHBondContact O-CA 3.49Å; K72-G75 PolarHBondContact O-N 2.89Å; K72-N76 PolarHBondContact O-N 3.32Å; K72-Y91 HydrophobicContact CG-CD1 4.39Å; K72-Y91 HydrophobicContact CG-CE1 4.22Å; K72-A94 HydrophobicContact CB-CB 4.17Å; K72-V108 HydrophobicContact CD-CG1 4.04Å; K72-I109 HydrophobicContact CB-CG1 4.02Å; K72-I109 HydrophobicContact CD-CG1 4.07Å; K72-I109 HydrophobicContact CG-CG1 4.06Å
73	D	97.7	Very high	97.3	Very high	72 Å²	72	56 Å²	56	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-31.3	-178.1	-67.8	-25.9	0	0	0	112.8	V69 A70 T71 G75 N76 A77	V69-D73 VanDerWaalsContact O-CG 3.32Å; V69-D73 PolarHBondContact O-N 2.87Å; A70-D73 PolarHBondContact O-N 3.42Å; T71-D73 VanDerWaalsContact C-N 3.28Å; T71-D73 PolarHBondContact O-N 3.2Å; D73-G75 VanDerWaalsContact C-N 3.34Å; D73-N76 WeakPolarHBondContact O-CB 3.33Å; D73-N76 PolarHBondContact O-N 2.91Å; D73-N76 PolarHBondContact OD1-ND2 2.86Å; D73-A77 PolarHBondContact O-N 2.87Å
74	K	97.8	Very high	97.3	Very high	113 Å²	113	53 Å²	53	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-42.2	166.3	-64	170.1	-171.6	167.1	0	111.3	A70 T71 K72 N76 A77 F78 K90	A70-K74 WeakPolarHBondContact O-CG 3.39Å; A70-K74 PolarHBondContact O-N 3.49Å; T71-K74 WeakPolarHBondContact O-CB 3.24Å; T71-K74 PolarHBondContact O-N 3.43Å; K72-K74 VanDerWaalsContact C-N 3.31Å; K72-K74 PolarHBondContact O-N 2.94Å; K74-N76 VanDerWaalsContact C-N 3.32Å; K74-N76 PolarHBondContact O-N 3.29Å; K74-A77 WeakPolarHBondContact O-CB 3.49Å; K74-A77 PolarHBondContact O-N 2.91Å; K74-F78 VanDerWaalsContact O-CD2 3.23Å; K74-F78 WeakPolarHBondContact O-CD2 3.46Å; K74-F78 PolarHBondContact O-N 3Å; K74-F78 VanDerWaalsContact O-N 3.07Å; K74-K90 HydrophobicContact CB-CD 4.31Å; K74-K90 HydrophobicContact CB-CG 4.46Å
75	G	97.8	Very high	97.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-41.5	172.6	0	0	0	0	0	112.7	T71 K72 D73 A77 F78 F79 A87 Y91	T71-G75 PolarHBondContact O-N 3.36Å; T71-G75 VanDerWaalsContact O-N 3.09Å; K72-G75 CarbonylContact O-C 3.27Å; K72-G75 VanDerWaalsContact O-CA 3.29Å; K72-G75 WeakPolarHBondContact O-CA 3.49Å; K72-G75 PolarHBondContact O-N 2.89Å; D73-G75 VanDerWaalsContact C-N 3.34Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 3.22Å; G75-F78 PolarHBondContact O-N 3.24Å; G75-F79 WeakPolarHBondContact O-CB 3.42Å; G75-F79 PolarHBondContact O-N 3.4Å; G75-A87 WeakPolarHBondContact O-CB 3.44Å; G75-Y91 PolarHBondContact O-OH 3.35Å
76	N	96.9	Very high	97.4	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-40.2	174.9	-66.1	-21	0	0	0	111.5	V9 K72 D73 K74 F79 K80 Y91 N112	V9-N76 HydrophobicContact CG2-CB 3.82Å; V9-N76 WeakPolarHBondContact CG2-OD1 3.38Å; K72-N76 PolarHBondContact O-N 3.32Å; D73-N76 WeakPolarHBondContact O-CB 3.33Å; D73-N76 PolarHBondContact O-N 2.91Å; D73-N76 PolarHBondContact OD1-ND2 2.86Å; K74-N76 VanDerWaalsContact C-N 3.32Å; K74-N76 PolarHBondContact O-N 3.29Å; N76-F79 PolarHBondContact O-N 2.99Å; N76-K80 WeakPolarHBondContact O-CB 3.26Å; N76-K80 VanDerWaalsContact O-CG 3.26Å; N76-K80 WeakPolarHBondContact O-CG 3.2Å; N76-K80 PolarHBondContact O-N 3.4Å; N76-Y91 WeakPolarHBondContact CA-OH 3.32Å; N76-Y91 PolarHBondContact N-OH 3.3Å; N76-Y91 WeakPolarHBondContact OD1-CE1 3.42Å; N76-Y91 PolarHBondContact OD1-OH 2.86Å; N76-N112 PolarHBondContact OD1-ND2 3.17Å
77	A	97.1	Very high	97.5	Very high	61 Å²	61	50 Å²	50	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-46.3	176.3	0	0	0	0	0	111.9	D73 K74 G75 F79 K80 S81	D73-A77 PolarHBondContact O-N 2.87Å; K74-A77 WeakPolarHBondContact O-CB 3.49Å; K74-A77 PolarHBondContact O-N 2.91Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 3.22Å; A77-F79 PolarHBondContact O-N 3.27Å; A77-K80 PolarHBondContact O-N 2.9Å; A77-S81 PolarHBondContact O-N 2.62Å
78	F	98	Very high	97.5	Very high	74 Å²	74	47.9 Å²	47.9	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-39.1	174.9	-75.5	-60.8	0	0	0	112.8	K74 G75 K80 S81 G82 S83 E86 A87 K90	K74-F78 VanDerWaalsContact O-CD2 3.23Å; K74-F78 WeakPolarHBondContact O-CD2 3.46Å; K74-F78 PolarHBondContact O-N 3Å; K74-F78 VanDerWaalsContact O-N 3.07Å; G75-F78 PolarHBondContact O-N 3.24Å; F78-K80 VanDerWaalsContact C-N 3.35Å; F78-K80 PolarHBondContact O-N 3.1Å; F78-S81 WeakPolarHBondContact CA-OG 3.33Å; F78-S81 PolarHBondContact O-N 3.06Å; F78-S81 PolarHBondContact O-OG 3.08Å; F78-G82 PolarHBondContact O-N 3.04Å; F78-S83 WeakPolarHBondContact O-CA 3.41Å; F78-S83 WeakPolarHBondContact O-CB 3.41Å; F78-S83 PolarHBondContact O-N 3.34Å; F78-E86 HydrophobicContact CB-CB 4.12Å; F78-E86 HydrophobicContact CD1-CB 3.64Å; F78-E86 HydrophobicContact CD1-CG 4.31Å; F78-E86 HydrophobicContact CD2-CB 3.99Å; F78-E86 HydrophobicContact CE1-CB 3.96Å; F78-E86 HydrophobicContact CE1-CG 4.29Å; F78-E86 HydrophobicContact CE2-CB 4.29Å; F78-E86 HydrophobicContact CG-CB 3.66Å; F78-E86 HydrophobicContact CZ-CB 4.27Å; F78-A87 HydrophobicContact CB-CB 3.83Å; F78-K90 HydrophobicContact CD2-CG 3.87Å; F78-K90 HydrophobicContact CE2-CG 3.92Å
79	F	97.1	Very high	97.5	Very high	15 Å²	15	54.3 Å²	54.3	7%	0.066	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-44.8	176.7	-172.1	-76.7	0	0	0	110.9	V9 A11 G75 N76 A77 S81 G82 F84 A87 A115 C116 K119	V9-F79 HydrophobicContact CG1-CD1 3.29Å; V9-F79 HydrophobicContact CG1-CE1 3.48Å; V9-F79 VanDerWaalsContact CG1-CE1 3.48Å; V9-F79 HydrophobicContact CG1-CG 4.16Å; V9-F79 HydrophobicContact CG1-CZ 4.49Å; A11-F79 HydrophobicContact CB-CE1 4.49Å; A11-F79 HydrophobicContact CB-CZ 4.48Å; G75-F79 WeakPolarHBondContact O-CB 3.42Å; G75-F79 PolarHBondContact O-N 3.4Å; N76-F79 PolarHBondContact O-N 2.99Å; A77-F79 PolarHBondContact O-N 3.27Å; F79-S81 VanDerWaalsContact C-N 3.25Å; F79-S81 PolarHBondContact O-N 3.31Å; F79-G82 PolarHBondContact O-N 2.95Å; F79-F84 HydrophobicContact CD1-CE1 4.45Å; F79-F84 AromaticContact CD2-CD1 3.97Å; F79-F84 HydrophobicContact CD2-CD1 3.97Å; F79-F84 HydrophobicContact CD2-CE1 4.23Å; F79-F84 HydrophobicContact CE1-CE1 4.44Å; F79-F84 HydrophobicContact CE2-CD1 4.13Å; F79-F84 HydrophobicContact CE2-CE1 4.18Å; F79-F84 HydrophobicContact CG-CD1 4.39Å; F79-F84 HydrophobicContact CG-CE1 4.38Å; F79-F84 HydrophobicContact CZ-CE1 4.32Å; F79-A87 HydrophobicContact CB-CB 3.96Å; F79-A115 HydrophobicContact CE2-CB 3.94Å; F79-A115 HydrophobicContact CZ-CB 4.07Å; F79-C116 HydrophobicContact CD2-CB 4.27Å; F79-C116 HydrophobicContact CE2-CB 4.35Å; F79-K119 HydrophobicContact CE2-CG 4.01Å; F79-K119 HydrophobicContact CZ-CG 3.89Å
80	K	96.9	Very high	97.6	Very high	132 Å²	132	55.2 Å²	55.2	57%	0.574	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-30.7	176.6	-72.7	173.4	-176.6	180	0	112.2	N76 A77 F78 G82	N76-K80 WeakPolarHBondContact O-CB 3.26Å; N76-K80 VanDerWaalsContact O-CG 3.26Å; N76-K80 WeakPolarHBondContact O-CG 3.2Å; N76-K80 PolarHBondContact O-N 3.4Å; A77-K80 PolarHBondContact O-N 2.9Å; F78-K80 VanDerWaalsContact C-N 3.35Å; F78-K80 PolarHBondContact O-N 3.1Å; K80-G82 VanDerWaalsContact C-N 3.3Å
81	S	96.4	Very high	97.6	Very high	78 Å²	78	53 Å²	53	55%	0.545	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.6	174.7	69.2	0	0	0	0	114.4	A77 F78 F79 S83	A77-S81 PolarHBondContact O-N 2.62Å; F78-S81 WeakPolarHBondContact CA-OG 3.33Å; F78-S81 PolarHBondContact O-N 3.06Å; F78-S81 PolarHBondContact O-OG 3.08Å; F79-S81 VanDerWaalsContact C-N 3.25Å; F79-S81 PolarHBondContact O-N 3.31Å; S81-S83 PolarHBondContact O-N 3.49Å; S81-S83 PolarHBondContact OG-OG 3.39Å; S81-S83 VanDerWaalsContact OG-OG 3.1Å
82	G	95.4	Very high	97.6	Very high	38 Å²	38	55.2 Å²	55.2	39%	0.392	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	5.8	-175.7	0	0	0	0	0	114.4	F78 F79 K80 F84	F78-G82 PolarHBondContact O-N 3.04Å; F79-G82 PolarHBondContact O-N 2.95Å; K80-G82 VanDerWaalsContact C-N 3.3Å; G82-F84 WeakPolarHBondContact O-CD2 3.44Å; G82-F84 PolarHBondContact O-N 3.49Å
83	S	97.5	Very high	97.6	Very high	39 Å²	39	58.4 Å²	58.4	27%	0.273	31%	0.312	S	S	.	.			trans	-81.5	68.4	177.1	-60.2	0	0	0	0	109.8	F78 S81 N85 E86 A87	F78-S83 WeakPolarHBondContact O-CA 3.41Å; F78-S83 WeakPolarHBondContact O-CB 3.41Å; F78-S83 PolarHBondContact O-N 3.34Å; S81-S83 PolarHBondContact O-N 3.49Å; S81-S83 PolarHBondContact OG-OG 3.39Å; S81-S83 VanDerWaalsContact OG-OG 3.1Å; S83-N85 PolarHBondContact O-N 3.3Å; S83-E86 VanDerWaalsContact C-OE2 3.31Å; S83-E86 WeakPolarHBondContact CA-OE2 3.4Å; S83-E86 VanDerWaalsContact CB-OE2 3.29Å; S83-E86 WeakPolarHBondContact CB-OE2 3.36Å; S83-E86 PolarHBondContact O-N 3.38Å; S83-A87 WeakPolarHBondContact O-CB 3.34Å; S83-A87 PolarHBondContact O-N 2.86Å
84	F	97.3	Very high	97.6	Very high	54 Å²	54	55 Å²	55	24%	0.237	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-33.6	-169	-55.5	-55.7	0	0	0	113.3	F79 G82 A87 L88 C116 K119 L120	F79-F84 HydrophobicContact CD1-CE1 4.45Å; F79-F84 AromaticContact CD2-CD1 3.97Å; F79-F84 HydrophobicContact CD2-CD1 3.97Å; F79-F84 HydrophobicContact CD2-CE1 4.23Å; F79-F84 HydrophobicContact CE1-CE1 4.44Å; F79-F84 HydrophobicContact CE2-CD1 4.13Å; F79-F84 HydrophobicContact CE2-CE1 4.18Å; F79-F84 HydrophobicContact CG-CD1 4.39Å; F79-F84 HydrophobicContact CG-CE1 4.38Å; F79-F84 HydrophobicContact CZ-CE1 4.32Å; G82-F84 WeakPolarHBondContact O-CD2 3.44Å; G82-F84 PolarHBondContact O-N 3.49Å; F84-A87 PolarHBondContact O-N 3.4Å; F84-L88 WeakPolarHBondContact O-CB 3.43Å; F84-L88 PolarHBondContact O-N 2.93Å; F84-C116 PolarHBondContact O-SG 3.19Å; F84-K119 HydrophobicContact CD1-CB 3.76Å; F84-K119 HydrophobicContact CD1-CG 4.06Å; F84-K119 HydrophobicContact CD2-CB 3.78Å; F84-K119 HydrophobicContact CE1-CB 3.84Å; F84-K119 HydrophobicContact CE1-CD 4.31Å; F84-K119 HydrophobicContact CE1-CG 3.7Å; F84-K119 HydrophobicContact CE2-CB 3.85Å; F84-K119 HydrophobicContact CE2-CD 4.45Å; F84-K119 HydrophobicContact CE2-CG 4.3Å; F84-K119 HydrophobicContact CG-CB 3.74Å; F84-K119 HydrophobicContact CZ-CB 3.88Å; F84-K119 HydrophobicContact CZ-CD 3.99Å; F84-K119 HydrophobicContact CZ-CG 3.84Å; F84-L120 HydrophobicContact CB-CD1 4.3Å; F84-L120 HydrophobicContact CB-CD2 3.75Å; F84-L120 HydrophobicContact CB-CG 3.87Å
85	N	97.8	Very high	97.6	Very high	100 Å²	100	49.9 Å²	49.9	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.3	-72.4	-56.7	0	0	0	111.4	S83 L88 M89	S83-N85 PolarHBondContact O-N 3.3Å; N85-L88 WeakPolarHBondContact O-CB 3.44Å; N85-L88 PolarHBondContact O-N 2.74Å; N85-M89 WeakPolarHBondContact O-CG 3.41Å; N85-M89 PolarHBondContact O-N 3.3Å
86	E	98.1	Very high	97.5	Very high	87 Å²	87	54.3 Å²	54.3	41%	0.407	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-39.3	176.5	-63.6	79.6	179.4	0	0	111.3	F78 S83 M89 K90	F78-E86 HydrophobicContact CB-CB 4.12Å; F78-E86 HydrophobicContact CD1-CB 3.64Å; F78-E86 HydrophobicContact CD1-CG 4.31Å; F78-E86 HydrophobicContact CD2-CB 3.99Å; F78-E86 HydrophobicContact CE1-CB 3.96Å; F78-E86 HydrophobicContact CE1-CG 4.29Å; F78-E86 HydrophobicContact CE2-CB 4.29Å; F78-E86 HydrophobicContact CG-CB 3.66Å; F78-E86 HydrophobicContact CZ-CB 4.27Å; S83-E86 VanDerWaalsContact C-OE2 3.31Å; S83-E86 WeakPolarHBondContact CA-OE2 3.4Å; S83-E86 VanDerWaalsContact CB-OE2 3.29Å; S83-E86 WeakPolarHBondContact CB-OE2 3.36Å; S83-E86 PolarHBondContact O-N 3.38Å; E86-M89 PolarHBondContact O-N 3.16Å; E86-K90 WeakPolarHBondContact O-CG 3.3Å; E86-K90 PolarHBondContact O-N 3.4Å
87	A	98	Very high	97.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-46.1	173.4	0	0	0	0	0	111.3	G75 F78 F79 S83 F84 M89 K90 Y91	G75-A87 WeakPolarHBondContact O-CB 3.44Å; F78-A87 HydrophobicContact CB-CB 3.83Å; F79-A87 HydrophobicContact CB-CB 3.96Å; S83-A87 WeakPolarHBondContact O-CB 3.34Å; S83-A87 PolarHBondContact O-N 2.86Å; F84-A87 PolarHBondContact O-N 3.4Å; A87-M89 PolarHBondContact O-N 3.13Å; A87-K90 PolarHBondContact O-N 3.48Å; A87-Y91 HydrophobicContact CB-CD2 4.47Å; A87-Y91 HydrophobicContact CB-CE2 3.98Å; A87-Y91 WeakPolarHBondContact O-CD2 3.43Å; A87-Y91 PolarHBondContact O-N 2.83Å
88	L	98.3	Very high	97.4	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.188	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-47.8	177.6	-176.4	69.2	0	0	0	111.3	F84 N85 K90 Y91 T92 R113 C116 H117 L120	F84-L88 WeakPolarHBondContact O-CB 3.43Å; F84-L88 PolarHBondContact O-N 2.93Å; N85-L88 WeakPolarHBondContact O-CB 3.44Å; N85-L88 PolarHBondContact O-N 2.74Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 2.92Å; L88-Y91 PolarHBondContact O-N 2.75Å; L88-T92 PolarHBondContact O-N 3.39Å; L88-T92 PolarHBondContact O-OG1 3.35Å; L88-R113 HydrophobicContact CD1-CG 3.57Å; L88-C116 HydrophobicContact CD1-CB 4.41Å; L88-H117 VanDerWaalsContact CD1-CE1 3.5Å; L88-H117 WeakPolarHBondContact CD1-CE1 3.29Å; L88-H117 WeakPolarHBondContact CD1-NE2 3.27Å; L88-L120 HydrophobicContact CB-CD1 4.24Å; L88-L120 HydrophobicContact CD2-CD1 3.86Å
89	M	98.2	Very high	97.3	Very high	135 Å²	135	50.5 Å²	50.5	67%	0.665	27%	0.27	S	S	*	.	H	α-helix	trans	-57.7	-44.9	176.3	-71.8	-179.9	68.8	0	0	111.7	N85 E86 A87 T92 E93	N85-M89 WeakPolarHBondContact O-CG 3.41Å; N85-M89 PolarHBondContact O-N 3.3Å; E86-M89 PolarHBondContact O-N 3.16Å; A87-M89 PolarHBondContact O-N 3.13Å; M89-T92 PolarHBondContact O-N 2.96Å; M89-E93 WeakPolarHBondContact O-CB 3.03Å; M89-E93 PolarHBondContact O-N 3.31Å
90	K	98.4	Very high	97.1	Very high	56 Å²	56	52.2 Å²	52.2	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-68.9	-36	-179.9	-69.2	-68.7	157.9	-155.5	0	113	T71 K74 F78 E86 A87 L88 E93 A94	T71-K90 HydrophobicContact CG2-CD 4.27Å; T71-K90 WeakPolarHBondContact CG2-O 3.29Å; K74-K90 HydrophobicContact CB-CD 4.31Å; K74-K90 HydrophobicContact CB-CG 4.46Å; F78-K90 HydrophobicContact CD2-CG 3.87Å; F78-K90 HydrophobicContact CE2-CG 3.92Å; E86-K90 WeakPolarHBondContact O-CG 3.3Å; E86-K90 PolarHBondContact O-N 3.4Å; A87-K90 PolarHBondContact O-N 3.48Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 2.92Å; K90-E93 WeakPolarHBondContact CD-OE2 3.32Å; K90-E93 IonicContact NZ-OE1 3.96Å; K90-E93 IonicContact NZ-OE2 2.67Å; K90-E93 PolarHBondContact NZ-OE2 3.48Å; K90-A94 WeakPolarHBondContact O-CB 3.36Å; K90-A94 PolarHBondContact O-N 2.9Å
91	Y	98.4	Very high	97	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-68.7	-37.6	174	-63.4	-48.4	0	0	0	112.4	K72 G75 N76 A87 L88 A94 L95 I109 N112 R113 C116	K72-Y91 HydrophobicContact CG-CD1 4.39Å; K72-Y91 HydrophobicContact CG-CE1 4.22Å; G75-Y91 PolarHBondContact O-OH 3.35Å; N76-Y91 WeakPolarHBondContact CA-OH 3.32Å; N76-Y91 PolarHBondContact N-OH 3.3Å; N76-Y91 WeakPolarHBondContact OD1-CE1 3.42Å; N76-Y91 PolarHBondContact OD1-OH 2.86Å; A87-Y91 HydrophobicContact CB-CD2 4.47Å; A87-Y91 HydrophobicContact CB-CE2 3.98Å; A87-Y91 WeakPolarHBondContact O-CD2 3.43Å; A87-Y91 PolarHBondContact O-N 2.83Å; L88-Y91 PolarHBondContact O-N 2.75Å; Y91-A94 PolarHBondContact O-N 3.1Å; Y91-L95 PolarHBondContact O-N 3.42Å; Y91-I109 HydrophobicContact CD1-CG2 4.39Å; Y91-I109 VanDerWaalsContact O-CG2 3.32Å; Y91-I109 WeakPolarHBondContact O-CG2 3.02Å; Y91-N112 HydrophobicContact CD1-CB 4.14Å; Y91-N112 HydrophobicContact CE1-CB 3.67Å; Y91-N112 HydrophobicContact CE2-CB 4.17Å; Y91-R113 HydrophobicContact CD2-CB 4.28Å; Y91-R113 HydrophobicContact CD2-CG 4.46Å; Y91-R113 HydrophobicContact CG-CB 4.29Å; Y91-C116 HydrophobicContact CD2-CB 4.26Å; Y91-C116 HydrophobicContact CE2-CB 4.23Å
92	T	98.3	Very high	96.9	Very high	51 Å²	51	49.2 Å²	49.2	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-46.4	174	-63.2	0	0	0	0	111.1	L88 M89 A94 L95 D96 R113	L88-T92 PolarHBondContact O-N 3.39Å; L88-T92 PolarHBondContact O-OG1 3.35Å; M89-T92 PolarHBondContact O-N 2.96Å; T92-A94 VanDerWaalsContact C-N 3.29Å; T92-A94 PolarHBondContact O-N 3.28Å; T92-L95 WeakPolarHBondContact O-CB 3.04Å; T92-L95 PolarHBondContact O-N 3.44Å; T92-D96 PolarHBondContact O-N 2.79Å; T92-R113 PolarHBondContact OG1-NH1 3.23Å; T92-R113 VanDerWaalsContact OG1-NH1 3.13Å
93	E	98	Very high	96.8	Very high	75 Å²	75	48.3 Å²	48.3	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-41.8	173.3	-173.6	-173.7	168.9	0	0	111.5	T71 M89 K90 L95 D96 L97	T71-E93 HydrophobicContact CG2-CB 4Å; T71-E93 HydrophobicContact CG2-CG 3.91Å; M89-E93 WeakPolarHBondContact O-CB 3.03Å; M89-E93 PolarHBondContact O-N 3.31Å; K90-E93 WeakPolarHBondContact CD-OE2 3.32Å; K90-E93 IonicContact NZ-OE1 3.96Å; K90-E93 IonicContact NZ-OE2 2.67Å; K90-E93 PolarHBondContact NZ-OE2 3.48Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.05Å; E93-D96 PolarHBondContact O-N 3.34Å; E93-L97 HydrophobicContact CG-CD1 3.99Å; E93-L97 WeakPolarHBondContact O-CD1 3.46Å; E93-L97 VanDerWaalsContact O-CG 3.28Å; E93-L97 WeakPolarHBondContact O-CG 3.48Å; E93-L97 PolarHBondContact O-N 3.13Å; E93-L97 VanDerWaalsContact O-N 3.08Å
94	A	98.1	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-36.9	175.8	0	0	0	0	0	112.5	A68 T71 K72 K90 Y91 T92 L97 C98 I109	A68-A94 WeakPolarHBondContact O-CB 3.34Å; T71-A94 HydrophobicContact CG2-CB 4.03Å; K72-A94 HydrophobicContact CB-CB 4.17Å; K90-A94 WeakPolarHBondContact O-CB 3.36Å; K90-A94 PolarHBondContact O-N 2.9Å; Y91-A94 PolarHBondContact O-N 3.1Å; T92-A94 VanDerWaalsContact C-N 3.29Å; T92-A94 PolarHBondContact O-N 3.28Å; A94-L97 PolarHBondContact O-N 3.47Å; A94-C98 WeakPolarHBondContact O-CB 3.44Å; A94-C98 PolarHBondContact O-N 2.83Å; A94-I109 HydrophobicContact CB-CD1 3.96Å; A94-I109 HydrophobicContact CB-CG1 4.37Å; A94-I109 HydrophobicContact CB-CG2 3.94Å
95	L	97.4	Very high	96.8	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-32.7	175.2	-77.9	166.4	0	0	0	113.2	Y91 T92 E93 L97 R106 I109 Y110	Y91-L95 PolarHBondContact O-N 3.42Å; T92-L95 WeakPolarHBondContact O-CB 3.04Å; T92-L95 PolarHBondContact O-N 3.44Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.05Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-R106 HydrophobicContact CD2-CG 3.71Å; L95-R106 PolarHBondContact O-NH1 2.74Å; L95-R106 PolarHBondContact O-NH2 3.44Å; L95-I109 HydrophobicContact CD1-CG2 4.27Å; L95-I109 HydrophobicContact CD2-CB 4.01Å; L95-I109 HydrophobicContact CD2-CG2 3.99Å; L95-I109 HydrophobicContact CG-CB 4.2Å; L95-I109 HydrophobicContact CG-CG2 3.6Å; L95-Y110 HydrophobicContact CD1-CD1 3.61Å; L95-Y110 HydrophobicContact CD1-CE1 3.48Å; L95-Y110 VanDerWaalsContact CD1-CE1 3.48Å; L95-Y110 HydrophobicContact CD1-CG 4.32Å; L95-Y110 HydrophobicContact CD2-CD1 4Å; L95-Y110 HydrophobicContact CD2-CD2 3.81Å; L95-Y110 HydrophobicContact CD2-CE1 3.83Å; L95-Y110 HydrophobicContact CD2-CE2 3.63Å; L95-Y110 HydrophobicContact CD2-CG 3.97Å; L95-Y110 HydrophobicContact CG-CD1 4.47Å; L95-Y110 HydrophobicContact CG-CE1 4.29Å
96	D	95.4	Very high	96.8	Very high	94 Å²	94	46.6 Å²	46.6	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-71.2	-32.5	174.7	-76.9	-45.9	0	0	0	112.3	K49 T92 E93	K49-D96 IonicContact NZ-OD1 3.8Å; K49-D96 PolarHBondContact NZ-OD1 2.84Å; T92-D96 PolarHBondContact O-N 2.79Å; E93-D96 PolarHBondContact O-N 3.34Å
97	L	95.3	Very high	96.8	Very high	57 Å²	57	42.4 Å²	42.4	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-83.1	-29.8	178.1	-66.1	165.7	0	0	0	112.8	I67 A68 T71 E93 A94 L95 P99	I67-L97 HydrophobicContact CG2-CD1 3.97Å; A68-L97 HydrophobicContact CB-CB 4Å; T71-L97 HydrophobicContact CG2-CD1 4.47Å; E93-L97 HydrophobicContact CG-CD1 3.99Å; E93-L97 WeakPolarHBondContact O-CD1 3.46Å; E93-L97 VanDerWaalsContact O-CG 3.28Å; E93-L97 WeakPolarHBondContact O-CG 3.48Å; E93-L97 PolarHBondContact O-N 3.13Å; E93-L97 VanDerWaalsContact O-N 3.08Å; A94-L97 PolarHBondContact O-N 3.47Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L97-P99 WeakPolarHBondContact O-CD 3.44Å
98	C	96.2	Very high	96.8	Very high	4 Å²	4	43 Å²	43	3%	0.027	22%	0.22	C	C	.	.	S	Bend	trans	-71.4	119.7	-174.9	-170.9	0	0	0	0	111.2	A68 A94 R106 I109	A68-C98 HydrophobicContact CB-CB 3.68Å; A94-C98 WeakPolarHBondContact O-CB 3.44Å; A94-C98 PolarHBondContact O-N 2.83Å; C98-R106 PolarHBondContact O-NH1 2.9Å; C98-I109 HydrophobicContact CB-CD1 3.9Å
99	P	96	Very high	96.8	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.019	21%	0.212	C	C	.	.			trans	-57.9	143.8	175.4	-23.3	34	0	0	0	112.2	E53 I61 R64 L97 K101 C102	E53-P99 WeakPolarHBondContact OE2-CA 3.46Å; E53-P99 WeakPolarHBondContact OE2-CB 3.25Å; I61-P99 HydrophobicContact CG2-CB 3.99Å; I61-P99 HydrophobicContact CG2-CG 3.96Å; I61-P99 WeakPolarHBondContact O-CG 3.48Å; R64-P99 HydrophobicContact CB-CG 3.77Å; L97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-K101 PolarHBondContact O-N 3.21Å; P99-C102 HydrophobicContact CB-CB 4.45Å; P99-C102 WeakPolarHBondContact O-CB 3.29Å; P99-C102 PolarHBondContact O-N 3.33Å
100	F	94.7	Very high	96.8	Very high	50 Å²	50	36 Å²	36	22%	0.219	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.7	175.8	-66.1	-78.6	0	0	0	112.3	I46 K49 K50 E53 C102	I46-F100 HydrophobicContact CG2-CE1 4.01Å; I46-F100 HydrophobicContact CG2-CZ 4.04Å; K49-F100 HydrophobicContact CB-CE2 3.71Å; K49-F100 HydrophobicContact CB-CZ 4.03Å; K50-F100 HydrophobicContact CB-CD2 4.37Å; K50-F100 HydrophobicContact CB-CE2 4.45Å; K50-F100 HydrophobicContact CG-CB 4.49Å; K50-F100 HydrophobicContact CG-CD1 4.16Å; K50-F100 HydrophobicContact CG-CD2 3.54Å; K50-F100 HydrophobicContact CG-CE1 4.25Å; K50-F100 HydrophobicContact CG-CE2 3.65Å; K50-F100 HydrophobicContact CG-CG 3.81Å; K50-F100 HydrophobicContact CG-CZ 4.01Å; E53-F100 VanDerWaalsContact CD-N 3.33Å; E53-F100 PolarHBondContact OE1-N 3.11Å; E53-F100 VanDerWaalsContact OE2-CD2 3.32Å; E53-F100 WeakPolarHBondContact OE2-CD2 3.31Å; E53-F100 PolarHBondContact OE2-N 2.95Å; F100-C102 PolarHBondContact O-N 3.09Å
101	K	93.4	Very high	96.8	Very high	133 Å²	133	33.4 Å²	33.4	58%	0.578	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.5	172.4	-73.4	167.3	-175.1	170.3	0	113.4	E53 I61 P99 G103	E53-K101 VanDerWaalsContact OE1-CG 3.27Å; E53-K101 WeakPolarHBondContact OE1-CG 3.47Å; E53-K101 PolarHBondContact OE1-N 3.49Å; I61-K101 HydrophobicContact CD1-CD 3.99Å; P99-K101 PolarHBondContact O-N 3.21Å; K101-G103 VanDerWaalsContact C-N 3.29Å; K101-G103 PolarHBondContact O-N 3.34Å; K101-G103 VanDerWaalsContact O-N 3.14Å
102	C	93.8	Very high	96.8	Very high	15 Å²	15	33.6 Å²	33.6	10%	0.101	17%	0.174	C	C	.	.			trans	-88.5	61.2	178.1	-63.3	0	0	0	0	111.2	R65 P99 F100 V104 E105 R106	R65-C102 HydrophobicContact CG-CB 4.23Å; P99-C102 HydrophobicContact CB-CB 4.45Å; P99-C102 WeakPolarHBondContact O-CB 3.29Å; P99-C102 PolarHBondContact O-N 3.33Å; F100-C102 PolarHBondContact O-N 3.09Å; C102-V104 VanDerWaalsContact C-N 3.29Å; C102-V104 PolarHBondContact O-N 3.49Å; C102-E105 HydrophobicContact CB-CB 4.45Å; C102-E105 WeakPolarHBondContact CB-OE2 3.31Å; C102-E105 PolarHBondContact O-N 2.93Å; C102-R106 VanDerWaalsContact O-CB 3.24Å; C102-R106 WeakPolarHBondContact O-CB 3.48Å; C102-R106 PolarHBondContact O-N 3.28Å
103	G	95.3	Very high	96.8	Very high	19 Å²	19	33.1 Å²	33.1	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-32.6	-173.1	0	0	0	0	0	114.5	K101 S107	K101-G103 VanDerWaalsContact C-N 3.29Å; K101-G103 PolarHBondContact O-N 3.34Å; K101-G103 VanDerWaalsContact O-N 3.14Å; G103-S107 WeakPolarHBondContact O-CB 3.25Å; G103-S107 PolarHBondContact O-N 3.45Å
104	V	96.4	Very high	96.8	Very high	79 Å²	79	29.6 Å²	29.6	48%	0.479	15%	0.15	S	C	.	.	H	α-helix	trans	-67.5	-53.9	178.9	175	0	0	0	0	110.3	C102 R106 S107 V108	C102-V104 VanDerWaalsContact C-N 3.29Å; C102-V104 PolarHBondContact O-N 3.49Å; V104-R106 PolarHBondContact O-N 3.38Å; V104-S107 WeakPolarHBondContact O-CB 3.44Å; V104-S107 PolarHBondContact O-N 3.05Å; V104-V108 WeakPolarHBondContact O-CG2 3.25Å; V104-V108 PolarHBondContact O-N 2.69Å
105	E	97	Very high	96.7	Very high	54 Å²	54	29.8 Å²	29.8	25%	0.252	15%	0.152	S	C	.	.	H	α-helix	trans	-61.7	-46	179	-64.7	78.5	-177.3	0	0	110.5	R65 V69 C102 S107 V108 I109	R65-E105 HydrophobicContact CG-CG 4.05Å; V69-E105 HydrophobicContact CG2-CB 4.38Å; V69-E105 HydrophobicContact CG2-CG 3.87Å; C102-E105 HydrophobicContact CB-CB 4.45Å; C102-E105 WeakPolarHBondContact CB-OE2 3.31Å; C102-E105 PolarHBondContact O-N 2.93Å; E105-S107 VanDerWaalsContact C-N 3.32Å; E105-S107 PolarHBondContact O-N 2.89Å; E105-V108 PolarHBondContact O-N 3.47Å; E105-V108 VanDerWaalsContact O-N 3.13Å; E105-I109 VanDerWaalsContact O-CG1 3.27Å; E105-I109 WeakPolarHBondContact O-CG1 3.41Å; E105-I109 PolarHBondContact O-N 2.65Å
106	R	97.7	Very high	96.7	Very high	23 Å²	23	29.5 Å²	29.5	9%	0.087	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-43	178	-165.1	178.9	-173.2	78.7	12.4	111.9	L95 C98 C102 V104 V108 I109 Y110 L136	L95-R106 HydrophobicContact CD2-CG 3.71Å; L95-R106 PolarHBondContact O-NH1 2.74Å; L95-R106 PolarHBondContact O-NH2 3.44Å; C98-R106 PolarHBondContact O-NH1 2.9Å; C102-R106 VanDerWaalsContact O-CB 3.24Å; C102-R106 WeakPolarHBondContact O-CB 3.48Å; C102-R106 PolarHBondContact O-N 3.28Å; V104-R106 PolarHBondContact O-N 3.38Å; R106-V108 PolarHBondContact O-N 2.76Å; R106-I109 PolarHBondContact O-N 3.05Å; R106-Y110 HydrophobicContact CG-CD2 4.09Å; R106-Y110 HydrophobicContact CG-CE2 3.69Å; R106-Y110 PolarHBondContact NH2-OH 3.5Å; R106-Y110 WeakPolarHBondContact O-CD2 3.5Å; R106-Y110 PolarHBondContact O-N 3.09Å; R106-L136 HydrophobicContact CB-CD1 3.91Å; R106-L136 HydrophobicContact CG-CD1 3.9Å
107	S	98	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-42.8	174.7	174.7	0	0	0	0	112.5	G103 V104 E105 Y110 A111 S133 Q137	G103-S107 WeakPolarHBondContact O-CB 3.25Å; G103-S107 PolarHBondContact O-N 3.45Å; V104-S107 WeakPolarHBondContact O-CB 3.44Å; V104-S107 PolarHBondContact O-N 3.05Å; E105-S107 VanDerWaalsContact C-N 3.32Å; E105-S107 PolarHBondContact O-N 2.89Å; S107-Y110 PolarHBondContact O-N 3.19Å; S107-A111 PolarHBondContact O-N 3.28Å; S107-S133 WeakPolarHBondContact O-CB 3.2Å; S107-S133 PolarHBondContact O-OG 3.44Å; S107-S133 PolarHBondContact OG-O 3.33Å; S107-S133 PolarHBondContact OG-OG 3.16Å; S107-S133 VanDerWaalsContact OG-OG 3.04Å; S107-Q137 VanDerWaalsContact CB-NE2 3.32Å; S107-Q137 WeakPolarHBondContact OG-CB 3.36Å; S107-Q137 WeakPolarHBondContact OG-CG 3.15Å; S107-Q137 PolarHBondContact OG-NE2 2.92Å
108	V	97.9	Very high	96.9	Very high	12 Å²	12	25.5 Å²	25.5	7%	0.073	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-42.4	176.1	173.7	0	0	0	0	111.3	K72 V104 E105 R106 A111 N112 Y140	K72-V108 HydrophobicContact CD-CG1 4.04Å; V104-V108 WeakPolarHBondContact O-CG2 3.25Å; V104-V108 PolarHBondContact O-N 2.69Å; E105-V108 PolarHBondContact O-N 3.47Å; E105-V108 VanDerWaalsContact O-N 3.13Å; R106-V108 PolarHBondContact O-N 2.76Å; V108-A111 PolarHBondContact O-N 3.42Å; V108-N112 PolarHBondContact O-N 2.77Å; V108-N112 PolarHBondContact O-OD1 3.23Å; V108-Y140 HydrophobicContact CG2-CE1 4.15Å
109	I	98.3	Very high	97	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-45.7	178.9	-58.5	161.2	0	0	0	110.8	K72 Y91 A94 L95 C98 E105 R106 A111 N112 R113	K72-I109 HydrophobicContact CB-CG1 4.02Å; K72-I109 HydrophobicContact CD-CG1 4.07Å; K72-I109 HydrophobicContact CG-CG1 4.06Å; Y91-I109 HydrophobicContact CD1-CG2 4.39Å; Y91-I109 VanDerWaalsContact O-CG2 3.32Å; Y91-I109 WeakPolarHBondContact O-CG2 3.02Å; A94-I109 HydrophobicContact CB-CD1 3.96Å; A94-I109 HydrophobicContact CB-CG1 4.37Å; A94-I109 HydrophobicContact CB-CG2 3.94Å; L95-I109 HydrophobicContact CD1-CG2 4.27Å; L95-I109 HydrophobicContact CD2-CB 4.01Å; L95-I109 HydrophobicContact CD2-CG2 3.99Å; L95-I109 HydrophobicContact CG-CB 4.2Å; L95-I109 HydrophobicContact CG-CG2 3.6Å; C98-I109 HydrophobicContact CB-CD1 3.9Å; E105-I109 VanDerWaalsContact O-CG1 3.27Å; E105-I109 WeakPolarHBondContact O-CG1 3.41Å; E105-I109 PolarHBondContact O-N 2.65Å; R106-I109 PolarHBondContact O-N 3.05Å; I109-A111 VanDerWaalsContact C-N 3.34Å; I109-A111 PolarHBondContact O-N 3.11Å; I109-N112 PolarHBondContact O-N 2.68Å; I109-R113 WeakPolarHBondContact O-CB 3.3Å; I109-R113 PolarHBondContact O-N 3.39Å
110	Y	98.6	Very high	97.1	Very high	24 Å²	24	31.4 Å²	31.4	9%	0.094	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-44.7	173.8	-78.9	-61	0	0	0	112.2	L95 R106 S107 N112 R113 A114 D129 E132 L136	L95-Y110 HydrophobicContact CD1-CD1 3.61Å; L95-Y110 HydrophobicContact CD1-CE1 3.48Å; L95-Y110 VanDerWaalsContact CD1-CE1 3.48Å; L95-Y110 HydrophobicContact CD1-CG 4.32Å; L95-Y110 HydrophobicContact CD2-CD1 4Å; L95-Y110 HydrophobicContact CD2-CD2 3.81Å; L95-Y110 HydrophobicContact CD2-CE1 3.83Å; L95-Y110 HydrophobicContact CD2-CE2 3.63Å; L95-Y110 HydrophobicContact CD2-CG 3.97Å; L95-Y110 HydrophobicContact CG-CD1 4.47Å; L95-Y110 HydrophobicContact CG-CE1 4.29Å; R106-Y110 HydrophobicContact CG-CD2 4.09Å; R106-Y110 HydrophobicContact CG-CE2 3.69Å; R106-Y110 PolarHBondContact NH2-OH 3.5Å; R106-Y110 WeakPolarHBondContact O-CD2 3.5Å; R106-Y110 PolarHBondContact O-N 3.09Å; S107-Y110 PolarHBondContact O-N 3.19Å; Y110-N112 VanDerWaalsContact C-N 3.32Å; Y110-N112 PolarHBondContact O-N 3.3Å; Y110-R113 PolarHBondContact O-N 2.85Å; Y110-A114 WeakPolarHBondContact O-CB 3.43Å; Y110-A114 PolarHBondContact O-N 3.03Å; Y110-D129 HydrophobicContact CD1-CB 4.49Å; Y110-E132 HydrophobicContact CD1-CB 3.86Å; Y110-E132 HydrophobicContact CD2-CB 3.82Å; Y110-E132 HydrophobicContact CE1-CB 3.87Å; Y110-E132 HydrophobicContact CE1-CG 4.18Å; Y110-E132 HydrophobicContact CE2-CB 3.83Å; Y110-E132 HydrophobicContact CG-CB 3.86Å; Y110-L136 HydrophobicContact CD2-CD1 4Å; Y110-L136 HydrophobicContact CE2-CD1 4.03Å
111	A	98.2	Very high	97.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-36.8	178.9	0	0	0	0	0	113.1	S107 V108 I109 A115 Y140 C143	S107-A111 PolarHBondContact O-N 3.28Å; V108-A111 PolarHBondContact O-N 3.42Å; I109-A111 VanDerWaalsContact C-N 3.34Å; I109-A111 PolarHBondContact O-N 3.11Å; A111-A115 PolarHBondContact O-N 2.68Å; A111-Y140 HydrophobicContact CB-CD1 4.17Å; A111-Y140 HydrophobicContact CB-CE1 3.5Å; A111-Y140 VanDerWaalsContact CB-CE1 3.5Å; A111-C143 HydrophobicContact CB-CB 4.15Å
112	N	97.9	Very high	97.3	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-72.8	-38.6	176.1	-71.1	4.7	0	0	0	111.5	N76 Y91 V108 I109 Y110 A115 C116	N76-N112 PolarHBondContact OD1-ND2 3.17Å; Y91-N112 HydrophobicContact CD1-CB 4.14Å; Y91-N112 HydrophobicContact CE1-CB 3.67Å; Y91-N112 HydrophobicContact CE2-CB 4.17Å; V108-N112 PolarHBondContact O-N 2.77Å; V108-N112 PolarHBondContact O-OD1 3.23Å; I109-N112 PolarHBondContact O-N 2.68Å; Y110-N112 VanDerWaalsContact C-N 3.32Å; Y110-N112 PolarHBondContact O-N 3.3Å; N112-A115 VanDerWaalsContact O-CB 3.29Å; N112-A115 WeakPolarHBondContact O-CB 3.46Å; N112-A115 PolarHBondContact O-N 3.18Å; N112-C116 PolarHBondContact O-N 2.81Å; N112-C116 VanDerWaalsContact O-N 3.12Å
113	R	98.4	Very high	97.4	Very high	42 Å²	42	32 Å²	32	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-39.7	174.6	-160.5	173.2	70.1	172.5	-1.9	112	L88 Y91 T92 I109 Y110 A115 C116 H117 D129	L88-R113 HydrophobicContact CD1-CG 3.57Å; Y91-R113 HydrophobicContact CD2-CB 4.28Å; Y91-R113 HydrophobicContact CD2-CG 4.46Å; Y91-R113 HydrophobicContact CG-CB 4.29Å; T92-R113 PolarHBondContact OG1-NH1 3.23Å; T92-R113 VanDerWaalsContact OG1-NH1 3.13Å; I109-R113 WeakPolarHBondContact O-CB 3.3Å; I109-R113 PolarHBondContact O-N 3.39Å; Y110-R113 PolarHBondContact O-N 2.85Å; R113-A115 VanDerWaalsContact C-N 3.31Å; R113-A115 PolarHBondContact O-N 2.6Å; R113-C116 WeakPolarHBondContact O-CA 3.43Å; R113-C116 WeakPolarHBondContact O-CB 3.28Å; R113-C116 PolarHBondContact O-N 3.48Å; R113-H117 PolarHBondContact O-CD2 3.43Å; R113-H117 PolarHBondContact O-N 3.01Å; R113-D129 VanDerWaalsContact CB-OD2 3.3Å; R113-D129 WeakPolarHBondContact CB-OD2 3.15Å; R113-D129 VanDerWaalsContact CG-OD2 3.3Å; R113-D129 WeakPolarHBondContact CG-OD2 3.47Å; R113-D129 IonicContact CZ-OD1 2.68Å; R113-D129 IonicContact CZ-OD2 3.7Å; R113-D129 IonicContact NE-OD1 2.8Å; R113-D129 PolarHBondContact NE-OD1 3.28Å; R113-D129 IonicContact NE-OD2 3.42Å; R113-D129 PolarHBondContact NE-OD2 3.28Å; R113-D129 IonicContact NH2-OD1 3.32Å; R113-D129 PolarHBondContact NH2-OD1 3.3Å; R113-D129 IonicContact NH2-OD2 2.8Å
114	A	98.3	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.3	-43.7	170.4	0	0	0	0	0	111.9	Y110 C116 H117 I118 A126 D129 C130	Y110-A114 WeakPolarHBondContact O-CB 3.43Å; Y110-A114 PolarHBondContact O-N 3.03Å; A114-C116 PolarHBondContact O-N 3.1Å; A114-H117 PolarHBondContact O-N 2.84Å; A114-I118 WeakPolarHBondContact O-CG1 3.39Å; A114-I118 PolarHBondContact O-N 2.96Å; A114-I118 VanDerWaalsContact O-N 3.1Å; A114-A126 HydrophobicContact CB-CB 4.35Å; A114-A126 WeakPolarHBondContact CB-O 3.4Å; A114-A126 WeakPolarHBondContact O-CB 3.44Å; A114-D129 HydrophobicContact CB-CB 3.72Å; A114-D129 PolarHBondContact N-OD2 3.36Å; A114-C130 VanDerWaalsContact CB-SG 3.6Å
115	A	97.2	Very high	97.5	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-37.7	175.2	0	0	0	0	0	111.9	F79 A111 N112 R113 I118 K119	F79-A115 HydrophobicContact CE2-CB 3.94Å; F79-A115 HydrophobicContact CZ-CB 4.07Å; A111-A115 PolarHBondContact O-N 2.68Å; N112-A115 VanDerWaalsContact O-CB 3.29Å; N112-A115 WeakPolarHBondContact O-CB 3.46Å; N112-A115 PolarHBondContact O-N 3.18Å; R113-A115 VanDerWaalsContact C-N 3.31Å; R113-A115 PolarHBondContact O-N 2.6Å; A115-I118 PolarHBondContact O-N 3.06Å; A115-K119 PolarHBondContact O-N 3.26Å
116	C	97	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-46.3	177.1	-154.7	0	0	0	0	112.1	F79 F84 L88 Y91 N112 R113 A114 I118 K119 L120	F79-C116 HydrophobicContact CD2-CB 4.27Å; F79-C116 HydrophobicContact CE2-CB 4.35Å; F84-C116 PolarHBondContact O-SG 3.19Å; L88-C116 HydrophobicContact CD1-CB 4.41Å; Y91-C116 HydrophobicContact CD2-CB 4.26Å; Y91-C116 HydrophobicContact CE2-CB 4.23Å; N112-C116 PolarHBondContact O-N 2.81Å; N112-C116 VanDerWaalsContact O-N 3.12Å; R113-C116 WeakPolarHBondContact O-CA 3.43Å; R113-C116 WeakPolarHBondContact O-CB 3.28Å; R113-C116 PolarHBondContact O-N 3.48Å; A114-C116 PolarHBondContact O-N 3.1Å; C116-I118 VanDerWaalsContact C-N 3.25Å; C116-I118 PolarHBondContact O-N 2.94Å; C116-K119 PolarHBondContact O-N 3.18Å; C116-L120 WeakPolarHBondContact O-CG 3.37Å; C116-L120 PolarHBondContact O-N 3.49Å
117	H	98.2	Very high	97.6	Very high	27 Å²	27	30.3 Å²	30.3	13%	0.125	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-36.1	175.2	-80.2	-58.1	0	0	0	112.8	L88 R113 A114 L120 D121 S122 A125 A126 D129	L88-H117 VanDerWaalsContact CD1-CE1 3.5Å; L88-H117 WeakPolarHBondContact CD1-CE1 3.29Å; L88-H117 WeakPolarHBondContact CD1-NE2 3.27Å; R113-H117 PolarHBondContact O-CD2 3.43Å; R113-H117 PolarHBondContact O-N 3.01Å; A114-H117 PolarHBondContact O-N 2.84Å; H117-L120 CarbonylContact O-C 3.54Å; H117-L120 PolarHBondContact O-N 3.03Å; H117-D121 PolarHBondContact O-N 2.69Å; H117-S122 PolarHBondContact O-N 3.09Å; H117-A125 HydrophobicContact CB-CB 4.34Å; H117-A126 HydrophobicContact CB-CB 3.7Å; H117-D129 IonicContact CD2-OD2 3.59Å; H117-D129 PolarHBondContact CD2-OD2 2.86Å; H117-D129 VanDerWaalsContact CD2-OD2 3.29Å; H117-D129 IonicContact NE2-OD2 3.42Å
118	I	97.3	Very high	97.7	Very high	39 Å²	39	35.4 Å²	35.4	20%	0.2	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-43.6	173.8	-63.2	174.6	0	0	0	111.5	A114 A115 C116 L120 D121 A126 R146 L150	A114-I118 WeakPolarHBondContact O-CG1 3.39Å; A114-I118 PolarHBondContact O-N 2.96Å; A114-I118 VanDerWaalsContact O-N 3.1Å; A115-I118 PolarHBondContact O-N 3.06Å; C116-I118 VanDerWaalsContact C-N 3.25Å; C116-I118 PolarHBondContact O-N 2.94Å; I118-L120 PolarHBondContact O-N 2.9Å; I118-D121 PolarHBondContact O-N 3.28Å; I118-A126 HydrophobicContact CG1-CB 3.73Å; I118-R146 HydrophobicContact CD1-CG 3.37Å; I118-L150 HydrophobicContact CD1-CD1 3.74Å; I118-L150 HydrophobicContact CD1-CD2 4.15Å; I118-L150 HydrophobicContact CD1-CG 4.03Å; I118-L150 HydrophobicContact CG1-CD1 3.89Å; I118-L150 HydrophobicContact CG1-CD2 4.02Å; I118-L150 HydrophobicContact CG1-CG 4.32Å
119	K	97.2	Very high	97.7	Very high	84 Å²	84	35.2 Å²	35.2	37%	0.365	18%	0.184	S	C	.	.	H	α-helix	trans	-69.2	-22.1	179.1	-67.1	-64.3	-175.4	-174.7	0	112.9	D13 F79 F84 A115 C116	D13-K119 PolarHBondContact O-NZ 3.22Å; F79-K119 HydrophobicContact CE2-CG 4.01Å; F79-K119 HydrophobicContact CZ-CG 3.89Å; F84-K119 HydrophobicContact CD1-CB 3.76Å; F84-K119 HydrophobicContact CD1-CG 4.06Å; F84-K119 HydrophobicContact CD2-CB 3.78Å; F84-K119 HydrophobicContact CE1-CB 3.84Å; F84-K119 HydrophobicContact CE1-CD 4.31Å; F84-K119 HydrophobicContact CE1-CG 3.7Å; F84-K119 HydrophobicContact CE2-CB 3.85Å; F84-K119 HydrophobicContact CE2-CD 4.45Å; F84-K119 HydrophobicContact CE2-CG 4.3Å; F84-K119 HydrophobicContact CG-CB 3.74Å; F84-K119 HydrophobicContact CZ-CB 3.88Å; F84-K119 HydrophobicContact CZ-CD 3.99Å; F84-K119 HydrophobicContact CZ-CG 3.84Å; A115-K119 PolarHBondContact O-N 3.26Å; C116-K119 PolarHBondContact O-N 3.18Å
120	L	97.1	Very high	97.7	Very high	47 Å²	47	35.2 Å²	35.2	25%	0.246	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	15.6	175.2	-66.1	170.9	0	0	0	113.1	F84 L88 C116 H117 I118 S122	F84-L120 HydrophobicContact CB-CD1 4.3Å; F84-L120 HydrophobicContact CB-CD2 3.75Å; F84-L120 HydrophobicContact CB-CG 3.87Å; L88-L120 HydrophobicContact CB-CD1 4.24Å; L88-L120 HydrophobicContact CD2-CD1 3.86Å; C116-L120 WeakPolarHBondContact O-CG 3.37Å; C116-L120 PolarHBondContact O-N 3.49Å; H117-L120 CarbonylContact O-C 3.54Å; H117-L120 PolarHBondContact O-N 3.03Å; I118-L120 PolarHBondContact O-N 2.9Å; L120-S122 PolarHBondContact O-N 2.92Å; L120-S122 PolarHBondContact O-OG 3.26Å
121	D	96.1	Very high	97.7	Very high	145 Å²	145	36.3 Å²	36.3	78%	0.775	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.2	179.2	-160.5	31.8	0	0	0	113.9	H117 I118 P123	H117-D121 PolarHBondContact O-N 2.69Å; I118-D121 PolarHBondContact O-N 3.28Å; D121-P123 VanDerWaalsContact O-CD 3.23Å; D121-P123 WeakPolarHBondContact O-CD 3.46Å
122	S	97.2	Very high	97.7	Very high	49 Å²	49	40.3 Å²	40.3	34%	0.343	21%	0.21	S	C	.	.			trans	-117.1	63.7	178.3	-59.1	0	0	0	0	111.4	H117 L120 E124 A125 A126	H117-S122 PolarHBondContact O-N 3.09Å; L120-S122 PolarHBondContact O-N 2.92Å; L120-S122 PolarHBondContact O-OG 3.26Å; S122-E124 VanDerWaalsContact C-N 3.35Å; S122-E124 PolarHBondContact O-N 2.78Å; S122-A125 PolarHBondContact O-N 3.43Å; S122-A126 PolarHBondContact O-N 3.47Å; S122-A126 VanDerWaalsContact O-N 3.09Å
123	P	95.1	Very high	97.8	Very high	17 Å²	17	40.1 Å²	40.1	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-31.2	-170.3	21	-28.9	0	0	0	114.3	D121 A126 I127 L150 K154	D121-P123 VanDerWaalsContact O-CD 3.23Å; D121-P123 WeakPolarHBondContact O-CD 3.46Å; P123-A126 WeakPolarHBondContact O-CB 3.48Å; P123-A126 PolarHBondContact O-N 3.06Å; P123-I127 WeakPolarHBondContact O-CG1 3.22Å; P123-I127 PolarHBondContact O-N 3.34Å; P123-L150 HydrophobicContact CB-CD2 3.82Å; P123-K154 VanDerWaalsContact CG-NZ 3.34Å
124	E	97.6	Very high	97.8	Very high	102 Å²	102	38.7 Å²	38.7	48%	0.477	20%	0.204	S	C	.	.	H	α-helix	trans	-66	-44.3	177.1	-76.3	63.3	-152.4	0	0	111.3	S122 A126 I127 L128 K154	S122-E124 VanDerWaalsContact C-N 3.35Å; S122-E124 PolarHBondContact O-N 2.78Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 2.91Å; E124-I127 PolarHBondContact O-N 3.48Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.35Å; E124-K154 WeakPolarHBondContact OE1-CD 3.27Å; E124-K154 WeakPolarHBondContact OE1-CE 3.2Å; E124-K154 IonicContact OE1-NZ 3.5Å; E124-K154 PolarHBondContact OE1-NZ 3.25Å; E124-K154 IonicContact OE2-NZ 2.76Å; E124-K154 PolarHBondContact OE2-NZ 3.2Å
125	A	98.1	Very high	97.8	Very high	31 Å²	31	44.2 Å²	44.2	26%	0.256	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-38.3	173.3	0	0	0	0	0	111.3	H117 S122 I127 L128 D129	H117-A125 HydrophobicContact CB-CB 4.34Å; S122-A125 PolarHBondContact O-N 3.43Å; A125-I127 PolarHBondContact O-N 2.84Å; A125-L128 PolarHBondContact O-N 3.41Å; A125-D129 PolarHBondContact O-N 3.06Å
126	A	98.2	Very high	97.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-38.9	174.6	0	0	0	0	0	112.8	A114 H117 I118 S122 P123 E124 C130 L150	A114-A126 HydrophobicContact CB-CB 4.35Å; A114-A126 WeakPolarHBondContact CB-O 3.4Å; A114-A126 WeakPolarHBondContact O-CB 3.44Å; H117-A126 HydrophobicContact CB-CB 3.7Å; I118-A126 HydrophobicContact CG1-CB 3.73Å; S122-A126 PolarHBondContact O-N 3.47Å; S122-A126 VanDerWaalsContact O-N 3.09Å; P123-A126 WeakPolarHBondContact O-CB 3.48Å; P123-A126 PolarHBondContact O-N 3.06Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 2.91Å; A126-C130 WeakPolarHBondContact O-CB 3.39Å; A126-C130 PolarHBondContact O-N 3.4Å; A126-C130 PolarHBondContact O-SG 2.9Å; A126-L150 HydrophobicContact CB-CD1 3.53Å
127	I	98.6	Very high	97.8	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-43	175.4	-70.3	165.3	0	0	0	110.5	P123 E124 A125 C130 N131 L150 L151	P123-I127 WeakPolarHBondContact O-CG1 3.22Å; P123-I127 PolarHBondContact O-N 3.34Å; E124-I127 PolarHBondContact O-N 3.48Å; A125-I127 PolarHBondContact O-N 2.84Å; I127-C130 PolarHBondContact O-N 2.7Å; I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 2.98Å; I127-N131 PolarHBondContact O-OD1 2.89Å; I127-L150 HydrophobicContact CD1-CB 4.21Å; I127-L150 HydrophobicContact CG1-CB 3.88Å; I127-L150 HydrophobicContact CG1-CD1 4.06Å; I127-L151 HydrophobicContact CD1-CD2 4.18Å; I127-L151 HydrophobicContact CG2-CD2 4.48Å
128	L	98.4	Very high	97.8	Very high	107 Å²	107	51.4 Å²	51.4	56%	0.56	27%	0.274	S	S	*	.	H	α-helix	trans	-59.8	-48.4	176.8	-69.9	175.3	0	0	0	111.4	E124 A125 C130 N131 E132	E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.35Å; A125-L128 PolarHBondContact O-N 3.41Å; L128-C130 VanDerWaalsContact C-N 3.3Å; L128-C130 PolarHBondContact O-N 2.9Å; L128-N131 WeakPolarHBondContact O-CB 3.49Å; L128-N131 PolarHBondContact O-N 3.12Å; L128-E132 PolarHBondContact O-N 3.24Å
129	D	98.7	Very high	97.8	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.043	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-36.9	175.8	-84.8	-9.2	0	0	0	112.5	Y110 R113 A114 H117 A125 N131 E132 S133	Y110-D129 HydrophobicContact CD1-CB 4.49Å; R113-D129 VanDerWaalsContact CB-OD2 3.3Å; R113-D129 WeakPolarHBondContact CB-OD2 3.15Å; R113-D129 VanDerWaalsContact CG-OD2 3.3Å; R113-D129 WeakPolarHBondContact CG-OD2 3.47Å; R113-D129 IonicContact CZ-OD1 2.68Å; R113-D129 IonicContact CZ-OD2 3.7Å; R113-D129 IonicContact NE-OD1 2.8Å; R113-D129 PolarHBondContact NE-OD1 3.28Å; R113-D129 IonicContact NE-OD2 3.42Å; R113-D129 PolarHBondContact NE-OD2 3.28Å; R113-D129 IonicContact NH2-OD1 3.32Å; R113-D129 PolarHBondContact NH2-OD1 3.3Å; R113-D129 IonicContact NH2-OD2 2.8Å; A114-D129 HydrophobicContact CB-CB 3.72Å; A114-D129 PolarHBondContact N-OD2 3.36Å; H117-D129 IonicContact CD2-OD2 3.59Å; H117-D129 PolarHBondContact CD2-OD2 2.86Å; H117-D129 VanDerWaalsContact CD2-OD2 3.29Å; H117-D129 IonicContact NE2-OD2 3.42Å; A125-D129 PolarHBondContact O-N 3.06Å; D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 2.95Å; D129-E132 PolarHBondContact O-N 3.01Å; D129-S133 WeakPolarHBondContact O-CB 3.33Å; D129-S133 PolarHBondContact O-N 3.49Å
130	C	98.5	Very high	97.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-38.2	173.3	-68.2	0	0	0	0	111.8	A114 A126 I127 L128 S133 L134 C143 R147	A114-C130 VanDerWaalsContact CB-SG 3.6Å; A126-C130 WeakPolarHBondContact O-CB 3.39Å; A126-C130 PolarHBondContact O-N 3.4Å; A126-C130 PolarHBondContact O-SG 2.9Å; I127-C130 PolarHBondContact O-N 2.7Å; L128-C130 VanDerWaalsContact C-N 3.3Å; L128-C130 PolarHBondContact O-N 2.9Å; C130-S133 PolarHBondContact O-N 3.43Å; C130-L134 WeakPolarHBondContact O-CB 3.36Å; C130-L134 WeakPolarHBondContact O-CD1 3.13Å; C130-L134 WeakPolarHBondContact O-CG 3.4Å; C130-L134 PolarHBondContact O-N 3.3Å; C130-C143 VanDerWaalsContact CA-SG 3.57Å; C130-R147 HydrophobicContact CB-CB 3.75Å; C130-R147 HydrophobicContact CB-CG 3.88Å
131	N	98.7	Very high	97.7	Very high	47 Å²	47	51.5 Å²	51.5	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-47.2	175.8	-66.1	-20.2	0	0	0	111.1	I127 L128 D129 S133 L134 N135 R147	I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 2.98Å; I127-N131 PolarHBondContact O-OD1 2.89Å; L128-N131 WeakPolarHBondContact O-CB 3.49Å; L128-N131 PolarHBondContact O-N 3.12Å; D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 2.95Å; N131-S133 VanDerWaalsContact C-N 3.32Å; N131-S133 PolarHBondContact O-N 3.22Å; N131-L134 PolarHBondContact O-N 3.33Å; N131-N135 WeakPolarHBondContact O-CB 3.46Å; N131-N135 PolarHBondContact O-N 3.04Å; N131-N135 PolarHBondContact O-ND2 3.29Å; N131-R147 WeakPolarHBondContact OD1-CD 3.44Å; N131-R147 PolarHBondContact OD1-NH1 2.95Å
132	E	98.5	Very high	97.7	Very high	86 Å²	86	48.5 Å²	48.5	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-42.3	176.6	-66.7	-53.5	125.7	0	0	111.9	Y110 L128 D129 L134 N135 L136	Y110-E132 HydrophobicContact CD1-CB 3.86Å; Y110-E132 HydrophobicContact CD2-CB 3.82Å; Y110-E132 HydrophobicContact CE1-CB 3.87Å; Y110-E132 HydrophobicContact CE1-CG 4.18Å; Y110-E132 HydrophobicContact CE2-CB 3.83Å; Y110-E132 HydrophobicContact CG-CB 3.86Å; L128-E132 PolarHBondContact O-N 3.24Å; D129-E132 PolarHBondContact O-N 3.01Å; E132-L134 PolarHBondContact O-N 3.05Å; E132-N135 PolarHBondContact O-N 2.8Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 3.38Å
133	S	98.5	Very high	97.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-44.7	175.7	-174.7	0	0	0	0	112.6	S107 D129 C130 N131 L136 Q137 C143	S107-S133 WeakPolarHBondContact O-CB 3.2Å; S107-S133 PolarHBondContact O-OG 3.44Å; S107-S133 PolarHBondContact OG-O 3.33Å; S107-S133 PolarHBondContact OG-OG 3.16Å; S107-S133 VanDerWaalsContact OG-OG 3.04Å; D129-S133 WeakPolarHBondContact O-CB 3.33Å; D129-S133 PolarHBondContact O-N 3.49Å; C130-S133 PolarHBondContact O-N 3.43Å; N131-S133 VanDerWaalsContact C-N 3.32Å; N131-S133 PolarHBondContact O-N 3.22Å; S133-L136 PolarHBondContact O-N 3.27Å; S133-Q137 PolarHBondContact O-N 3.09Å; S133-C143 VanDerWaalsContact CB-SG 3.55Å
134	L	98.4	Very high	97.8	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-78.4	-24.2	-177.6	-67.6	169.1	0	0	0	113.3	C130 N131 E132 L136 Q137 P138 C143 L144 R147	C130-L134 WeakPolarHBondContact O-CB 3.36Å; C130-L134 WeakPolarHBondContact O-CD1 3.13Å; C130-L134 WeakPolarHBondContact O-CG 3.4Å; C130-L134 PolarHBondContact O-N 3.3Å; N131-L134 PolarHBondContact O-N 3.33Å; E132-L134 PolarHBondContact O-N 3.05Å; L134-L136 VanDerWaalsContact C-N 3.27Å; L134-Q137 CarbonylContact O-C 3.48Å; L134-P138 WeakPolarHBondContact O-CA 3.23Å; L134-P138 VanDerWaalsContact O-N 3.13Å; L134-C143 HydrophobicContact CD2-CB 4.04Å; L134-C143 HydrophobicContact CG-CB 4.32Å; L134-L144 HydrophobicContact CD1-CD2 3.75Å; L134-L144 HydrophobicContact CD1-CG 4.36Å; L134-L144 HydrophobicContact CD2-CD2 3.71Å; L134-L144 HydrophobicContact CD2-CG 3.64Å; L134-L144 HydrophobicContact CG-CD2 4.37Å; L134-R147 HydrophobicContact CD1-CB 4.46Å
135	N	98.2	Very high	97.8	Very high	116 Å²	116	43.1 Å²	43.1	62%	0.62	23%	0.226	S	C	*	.	H	α-helix	trans	-63.8	-37.3	168.9	-74.5	-19	0	0	0	111	N131 E132	N131-N135 WeakPolarHBondContact O-CB 3.46Å; N131-N135 PolarHBondContact O-N 3.04Å; N131-N135 PolarHBondContact O-ND2 3.29Å; E132-N135 PolarHBondContact O-N 2.8Å
136	L	97.7	Very high	97.8	Very high	66 Å²	66	43.5 Å²	43.5	35%	0.346	22%	0.221	S	C	.	.	H	α-helix	trans	-82.2	-41	178.3	-66.6	170.4	0	0	0	112.8	R106 Y110 E132 S133 L134	R106-L136 HydrophobicContact CB-CD1 3.91Å; R106-L136 HydrophobicContact CG-CD1 3.9Å; Y110-L136 HydrophobicContact CD2-CD1 4Å; Y110-L136 HydrophobicContact CE2-CD1 4.03Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 3.38Å; S133-L136 PolarHBondContact O-N 3.27Å; L134-L136 VanDerWaalsContact C-N 3.27Å
137	Q	97.9	Very high	97.8	Very high	52 Å²	52	45.9 Å²	45.9	24%	0.243	23%	0.23	C	C	.	.			trans	-131.6	90.2	176.1	-65.3	-168.4	110.1	0	0	110.7	S107 S133 L134 D139 Y140	S107-Q137 VanDerWaalsContact CB-NE2 3.32Å; S107-Q137 WeakPolarHBondContact OG-CB 3.36Å; S107-Q137 WeakPolarHBondContact OG-CG 3.15Å; S107-Q137 PolarHBondContact OG-NE2 2.92Å; S133-Q137 PolarHBondContact O-N 3.09Å; L134-Q137 CarbonylContact O-C 3.48Å; Q137-D139 PolarHBondContact O-N 3.48Å; Q137-D139 VanDerWaalsContact O-N 3.11Å; Q137-Y140 WeakPolarHBondContact O-CB 3.5Å; Q137-Y140 PolarHBondContact O-N 3.35Å
138	P	98	Very high	97.8	Very high	66 Å²	66	45.5 Å²	45.5	43%	0.429	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.3	-175.3	-28.1	35.8	0	0	0	114.2	L134 K166	L134-P138 WeakPolarHBondContact O-CA 3.23Å; L134-P138 VanDerWaalsContact O-N 3.13Å; P138-K166 VanDerWaalsContact CB-NZ 3.33Å; P138-K166 VanDerWaalsContact O-CE 3.3Å; P138-K166 WeakPolarHBondContact O-CE 3.47Å; P138-K166 PolarHBondContact O-NZ 3.04Å
139	D	97.1	Very high	97.8	Very high	97 Å²	97	40.9 Å²	40.9	52%	0.519	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	19.3	-173.1	-61.8	-16.6	0	0	0	112.6	Q137 V141 K166 L170	Q137-D139 PolarHBondContact O-N 3.48Å; Q137-D139 VanDerWaalsContact O-N 3.11Å; D139-V141 VanDerWaalsContact C-N 3.32Å; D139-V141 PolarHBondContact O-N 2.91Å; D139-K166 WeakPolarHBondContact OD1-CE 3.5Å; D139-K166 IonicContact OD1-NZ 3.44Å; D139-K166 PolarHBondContact OD1-NZ 2.72Å; D139-L170 HydrophobicContact CB-CD1 3.81Å; D139-L170 HydrophobicContact CB-CD2 3.95Å
140	Y	97.1	Very high	97.7	Very high	35 Å²	35	40.8 Å²	40.8	14%	0.137	20%	0.204	C	C	.	.			trans	-72.8	86	177.2	-166.7	-179.2	0	0	0	111.3	F8 V108 A111 Q137 K142 C143 L144	F8-Y140 WeakPolarHBondContact CD2-OH 3.34Å; F8-Y140 HydrophobicContact CE2-CE2 4.4Å; F8-Y140 WeakPolarHBondContact CE2-OH 3.5Å; V108-Y140 HydrophobicContact CG2-CE1 4.15Å; A111-Y140 HydrophobicContact CB-CD1 4.17Å; A111-Y140 HydrophobicContact CB-CE1 3.5Å; A111-Y140 VanDerWaalsContact CB-CE1 3.5Å; Q137-Y140 WeakPolarHBondContact O-CB 3.5Å; Q137-Y140 PolarHBondContact O-N 3.35Å; Y140-K142 VanDerWaalsContact C-N 3.32Å; Y140-K142 HydrophobicContact CD2-CB 4.35Å; Y140-K142 HydrophobicContact CE2-CB 4.01Å; Y140-K142 PolarHBondContact O-N 3.38Å; Y140-C143 HydrophobicContact CD1-CB 3.79Å; Y140-C143 HydrophobicContact CE1-CB 4.41Å; Y140-C143 HydrophobicContact CG-CB 3.89Å; Y140-C143 WeakPolarHBondContact O-CA 3.45Å; Y140-C143 WeakPolarHBondContact O-CB 3.47Å; Y140-C143 PolarHBondContact O-N 2.87Å; Y140-L144 PolarHBondContact O-N 3.43Å
141	V	96	Very high	97.7	Very high	39 Å²	39	41 Å²	41	24%	0.236	21%	0.205	C	C	.	.	H	α-helix	trans	-49.8	-45.9	-172.7	178.7	0	0	0	0	113.3	D139 C143 L144 E145 I167 L170	D139-V141 VanDerWaalsContact C-N 3.32Å; D139-V141 PolarHBondContact O-N 2.91Å; V141-C143 VanDerWaalsContact C-N 3.3Å; V141-C143 PolarHBondContact O-N 3.03Å; V141-L144 WeakPolarHBondContact O-CB 3.44Å; V141-L144 PolarHBondContact O-N 3.45Å; V141-E145 HydrophobicContact CG1-CG 4.45Å; V141-E145 WeakPolarHBondContact O-CG 3.42Å; V141-E145 PolarHBondContact O-N 3.39Å; V141-I167 HydrophobicContact CG1-CG2 4.18Å; V141-L170 HydrophobicContact CG2-CB 3.93Å; V141-L170 HydrophobicContact CG2-CD1 3.89Å
142	K	94.6	Very high	97.7	Very high	82 Å²	82	40.8 Å²	40.8	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-64.1	-34.9	-179.8	-68.1	-179.2	166.8	-174.1	0	112.8	F8 Y140 R146	F8-K142 VanDerWaalsContact CB-NZ 3.34Å; F8-K142 HydrophobicContact CD1-CD 3.58Å; F8-K142 HydrophobicContact CD2-CD 3.89Å; F8-K142 HydrophobicContact CE1-CB 4.42Å; F8-K142 HydrophobicContact CE1-CD 3.47Å; F8-K142 VanDerWaalsContact CE1-CD 3.47Å; F8-K142 HydrophobicContact CE1-CG 4.44Å; F8-K142 HydrophobicContact CE2-CB 4.34Å; F8-K142 HydrophobicContact CE2-CD 3.8Å; F8-K142 HydrophobicContact CG-CD 3.79Å; F8-K142 HydrophobicContact CZ-CB 3.91Å; F8-K142 HydrophobicContact CZ-CD 3.57Å; F8-K142 HydrophobicContact CZ-CG 4.35Å; Y140-K142 VanDerWaalsContact C-N 3.32Å; Y140-K142 HydrophobicContact CD2-CB 4.35Å; Y140-K142 HydrophobicContact CE2-CB 4.01Å; Y140-K142 PolarHBondContact O-N 3.38Å; K142-R146 WeakPolarHBondContact O-CB 3.41Å; K142-R146 PolarHBondContact O-N 3.01Å; K142-R146 VanDerWaalsContact O-N 3.17Å
143	C	97.3	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.4	-41.5	175.1	-171.8	0	0	0	0	111.2	A111 C130 S133 L134 Y140 V141 E145 R146 R147	A111-C143 HydrophobicContact CB-CB 4.15Å; C130-C143 VanDerWaalsContact CA-SG 3.57Å; S133-C143 VanDerWaalsContact CB-SG 3.55Å; L134-C143 HydrophobicContact CD2-CB 4.04Å; L134-C143 HydrophobicContact CG-CB 4.32Å; Y140-C143 HydrophobicContact CD1-CB 3.79Å; Y140-C143 HydrophobicContact CE1-CB 4.41Å; Y140-C143 HydrophobicContact CG-CB 3.89Å; Y140-C143 WeakPolarHBondContact O-CA 3.45Å; Y140-C143 WeakPolarHBondContact O-CB 3.47Å; Y140-C143 PolarHBondContact O-N 2.87Å; V141-C143 VanDerWaalsContact C-N 3.3Å; V141-C143 PolarHBondContact O-N 3.03Å; C143-E145 VanDerWaalsContact C-N 3.33Å; C143-E145 PolarHBondContact O-N 3.01Å; C143-R146 WeakPolarHBondContact O-CB 3.11Å; C143-R146 PolarHBondContact O-N 3.33Å; C143-R147 PolarHBondContact O-N 3.23Å
144	L	98.4	Very high	97.5	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-55.8	-47.8	171.5	-71.4	168.1	0	0	0	111.1	L134 Y140 V141 R146 R147 A148 K166 I167 L170	L134-L144 HydrophobicContact CD1-CD2 3.75Å; L134-L144 HydrophobicContact CD1-CG 4.36Å; L134-L144 HydrophobicContact CD2-CD2 3.71Å; L134-L144 HydrophobicContact CD2-CG 3.64Å; L134-L144 HydrophobicContact CG-CD2 4.37Å; Y140-L144 PolarHBondContact O-N 3.43Å; V141-L144 WeakPolarHBondContact O-CB 3.44Å; V141-L144 PolarHBondContact O-N 3.45Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.02Å; L144-R147 PolarHBondContact O-N 3.14Å; L144-A148 VanDerWaalsContact O-CB 3.25Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.21Å; L144-K166 HydrophobicContact CD1-CB 4.35Å; L144-K166 HydrophobicContact CD1-CD 3.9Å; L144-K166 HydrophobicContact CD1-CG 3.94Å; L144-K166 HydrophobicContact CD2-CD 4.07Å; L144-I167 HydrophobicContact CB-CD1 3.85Å; L144-I167 HydrophobicContact CB-CG1 3.56Å; L144-I167 HydrophobicContact CD1-CG1 4.2Å; L144-I167 HydrophobicContact CG-CG1 4.49Å; L144-L170 HydrophobicContact CD1-CD1 3.82Å
145	E	97.5	Very high	97.4	Very high	54 Å²	54	47.6 Å²	47.6	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-59.8	-44	179.3	-76.9	-175.3	139	0	0	111.5	V141 C143 T149 I167 N174	V141-E145 HydrophobicContact CG1-CG 4.45Å; V141-E145 WeakPolarHBondContact O-CG 3.42Å; V141-E145 PolarHBondContact O-N 3.39Å; C143-E145 VanDerWaalsContact C-N 3.33Å; C143-E145 PolarHBondContact O-N 3.01Å; E145-T149 VanDerWaalsContact O-CB 3.27Å; E145-T149 WeakPolarHBondContact O-CB 3.44Å; E145-T149 PolarHBondContact O-N 2.79Å; E145-T149 PolarHBondContact O-OG1 2.71Å; E145-I167 HydrophobicContact CB-CD1 4.28Å; E145-I167 HydrophobicContact CG-CD1 3.71Å; E145-I167 HydrophobicContact CG-CG1 4.29Å; E145-I167 HydrophobicContact CG-CG2 4.42Å; E145-N174 PolarHBondContact OE1-ND2 3.34Å
146	R	97.2	Very high	97.4	Very high	39 Å²	39	47.4 Å²	47.4	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-47.8	178.1	-169.9	178.2	-58.4	-68.2	-2	111	I118 K142 C143 L144 L150	I118-R146 HydrophobicContact CD1-CG 3.37Å; K142-R146 WeakPolarHBondContact O-CB 3.41Å; K142-R146 PolarHBondContact O-N 3.01Å; K142-R146 VanDerWaalsContact O-N 3.17Å; C143-R146 WeakPolarHBondContact O-CB 3.11Å; C143-R146 PolarHBondContact O-N 3.33Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.02Å; R146-L150 WeakPolarHBondContact O-CG 3.39Å; R146-L150 PolarHBondContact O-N 3.29Å; R146-L150 VanDerWaalsContact O-N 3.1Å
147	R	98.5	Very high	97.4	Very high	49 Å²	49	44.4 Å²	44.4	19%	0.185	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-48.3	179	-163.7	177	68.4	174.7	-0.1	111.9	C130 N131 L134 C143 L144 T149 L150 L151 D163	C130-R147 HydrophobicContact CB-CB 3.75Å; C130-R147 HydrophobicContact CB-CG 3.88Å; N131-R147 WeakPolarHBondContact OD1-CD 3.44Å; N131-R147 PolarHBondContact OD1-NH1 2.95Å; L134-R147 HydrophobicContact CD1-CB 4.46Å; C143-R147 PolarHBondContact O-N 3.23Å; L144-R147 PolarHBondContact O-N 3.14Å; R147-T149 PolarHBondContact O-N 3.13Å; R147-L150 PolarHBondContact O-N 3.3Å; R147-L150 VanDerWaalsContact O-N 3.09Å; R147-L151 HydrophobicContact CG-CD1 3.77Å; R147-L151 HydrophobicContact CG-CG 4.14Å; R147-L151 WeakPolarHBondContact O-CB 3.45Å; R147-L151 VanDerWaalsContact O-CG 3.25Å; R147-L151 WeakPolarHBondContact O-CG 3.3Å; R147-L151 PolarHBondContact O-N 3.31Å; R147-D163 IonicContact CZ-OD1 3.28Å; R147-D163 IonicContact CZ-OD2 3.03Å; R147-D163 IonicContact NE-OD1 3.37Å; R147-D163 IonicContact NE-OD2 3.09Å; R147-D163 PolarHBondContact NE-OD2 3.42Å; R147-D163 IonicContact NH2-OD1 2.7Å; R147-D163 PolarHBondContact NH2-OD1 3.49Å; R147-D163 IonicContact NH2-OD2 2.77Å; R147-D163 PolarHBondContact NH2-OD2 3.04Å
148	A	98.6	Very high	97.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-53.2	-45.9	177.7	0	0	0	0	0	111.6	L144 L151 E152 A160 D163 Y164 I167	L144-A148 VanDerWaalsContact O-CB 3.25Å; L144-A148 WeakPolarHBondContact O-CB 3.36Å; L144-A148 PolarHBondContact O-N 3.21Å; A148-L151 PolarHBondContact O-N 3.02Å; A148-E152 VanDerWaalsContact O-CB 3.31Å; A148-E152 WeakPolarHBondContact O-CB 3.43Å; A148-E152 PolarHBondContact O-N 3.37Å; A148-A160 WeakPolarHBondContact O-CB 3.3Å; A148-D163 HydrophobicContact CB-CB 3.56Å; A148-D163 PolarHBondContact N-OD2 2.92Å; A148-Y164 HydrophobicContact CB-CD1 3.81Å; A148-Y164 HydrophobicContact CB-CD2 4Å; A148-Y164 HydrophobicContact CB-CE1 3.63Å; A148-Y164 HydrophobicContact CB-CE2 3.84Å; A148-Y164 HydrophobicContact CB-CG 4.02Å; A148-I167 HydrophobicContact CB-CD1 4.34Å
149	T	97.8	Very high	97.4	Very high	10 Å²	10	44.7 Å²	44.7	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-43.7	179.3	-56.6	0	0	0	0	112.2	F14 E145 R147 E152 S153 K176	F14-T149 HydrophobicContact CD1-CG2 3.44Å; F14-T149 VanDerWaalsContact CD1-CG2 3.44Å; F14-T149 HydrophobicContact CD2-CG2 4.1Å; F14-T149 HydrophobicContact CE1-CG2 2.97Å; F14-T149 HydrophobicContact CE2-CG2 3.71Å; F14-T149 HydrophobicContact CG-CG2 3.99Å; F14-T149 HydrophobicContact CZ-CG2 3.14Å; E145-T149 VanDerWaalsContact O-CB 3.27Å; E145-T149 WeakPolarHBondContact O-CB 3.44Å; E145-T149 PolarHBondContact O-N 2.79Å; E145-T149 PolarHBondContact O-OG1 2.71Å; R147-T149 PolarHBondContact O-N 3.13Å; T149-E152 PolarHBondContact O-N 3.21Å; T149-S153 PolarHBondContact O-N 3.25Å; T149-K176 VanDerWaalsContact OG1-CE 3.28Å; T149-K176 WeakPolarHBondContact OG1-CE 3.47Å; T149-K176 PolarHBondContact OG1-NZ 3.28Å
150	L	98.1	Very high	97.5	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-45.8	177.3	-76.9	174.6	0	0	0	111.9	I118 P123 A126 I127 R146 R147 E152 S153 K154	I118-L150 HydrophobicContact CD1-CD1 3.74Å; I118-L150 HydrophobicContact CD1-CD2 4.15Å; I118-L150 HydrophobicContact CD1-CG 4.03Å; I118-L150 HydrophobicContact CG1-CD1 3.89Å; I118-L150 HydrophobicContact CG1-CD2 4.02Å; I118-L150 HydrophobicContact CG1-CG 4.32Å; P123-L150 HydrophobicContact CB-CD2 3.82Å; A126-L150 HydrophobicContact CB-CD1 3.53Å; I127-L150 HydrophobicContact CD1-CB 4.21Å; I127-L150 HydrophobicContact CG1-CB 3.88Å; I127-L150 HydrophobicContact CG1-CD1 4.06Å; R146-L150 WeakPolarHBondContact O-CG 3.39Å; R146-L150 PolarHBondContact O-N 3.29Å; R146-L150 VanDerWaalsContact O-N 3.1Å; R147-L150 PolarHBondContact O-N 3.3Å; R147-L150 VanDerWaalsContact O-N 3.09Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 3.3Å; L150-S153 PolarHBondContact O-N 2.86Å; L150-S153 PolarHBondContact O-OG 3.01Å; L150-K154 WeakPolarHBondContact O-CG 3.49Å; L150-K154 PolarHBondContact O-N 3.12Å
151	L	98.6	Very high	97.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-43.6	176.6	-69	168.9	0	0	0	111.1	I127 R147 A148 S153 K154 D155 R156 D159 A160	I127-L151 HydrophobicContact CD1-CD2 4.18Å; I127-L151 HydrophobicContact CG2-CD2 4.48Å; R147-L151 HydrophobicContact CG-CD1 3.77Å; R147-L151 HydrophobicContact CG-CG 4.14Å; R147-L151 WeakPolarHBondContact O-CB 3.45Å; R147-L151 VanDerWaalsContact O-CG 3.25Å; R147-L151 WeakPolarHBondContact O-CG 3.3Å; R147-L151 PolarHBondContact O-N 3.31Å; A148-L151 PolarHBondContact O-N 3.02Å; L151-S153 PolarHBondContact O-N 3.45Å; L151-K154 CarbonylContact O-C 3.45Å; L151-K154 PolarHBondContact O-N 3.05Å; L151-K154 VanDerWaalsContact O-N 3.16Å; L151-D155 PolarHBondContact O-N 3.44Å; L151-R156 HydrophobicContact CB-CB 4.2Å; L151-R156 HydrophobicContact CD2-CB 3.99Å; L151-R156 VanDerWaalsContact CD2-NE 3.32Å; L151-R156 WeakPolarHBondContact O-CA 3.29Å; L151-R156 WeakPolarHBondContact O-CB 3.16Å; L151-R156 PolarHBondContact O-N 2.88Å; L151-D159 HydrophobicContact CD1-CB 3.71Å; L151-D159 HydrophobicContact CD2-CB 4.14Å; L151-D159 HydrophobicContact CG-CB 4.38Å; L151-A160 HydrophobicContact CB-CB 3.8Å
152	E	98.2	Very high	97.7	Very high	43 Å²	43	43.7 Å²	43.7	20%	0.201	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-42.4	175.8	-175.9	177.4	-177	0	0	111.9	A148 T149 L150 K154 D155 L157 A160 Y164 L184 R187	A148-E152 VanDerWaalsContact O-CB 3.31Å; A148-E152 WeakPolarHBondContact O-CB 3.43Å; A148-E152 PolarHBondContact O-N 3.37Å; T149-E152 PolarHBondContact O-N 3.21Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 3.3Å; E152-K154 PolarHBondContact O-N 3.1Å; E152-D155 PolarHBondContact O-N 3.49Å; E152-L157 HydrophobicContact CG-CD2 4.26Å; E152-A160 HydrophobicContact CB-CB 3.94Å; E152-Y164 VanDerWaalsContact OE2-CE2 3.31Å; E152-Y164 WeakPolarHBondContact OE2-CE2 3.48Å; E152-Y164 PolarHBondContact OE2-OH 3.41Å; E152-L184 HydrophobicContact CG-CD2 4.15Å; E152-R187 IonicContact OE1-CZ 2.74Å; E152-R187 IonicContact OE1-NH1 2.67Å; E152-R187 PolarHBondContact OE1-NH1 3.47Å
153	S	96.7	Very high	97.9	Very high	68 Å²	68	40 Å²	40	48%	0.476	20%	0.198	S	C	.	.	H	α-helix	trans	-66.2	-24.5	176.8	74.9	0	0	0	0	113.4	T149 L150 L151 D155	T149-S153 PolarHBondContact O-N 3.25Å; L150-S153 PolarHBondContact O-N 2.86Å; L150-S153 PolarHBondContact O-OG 3.01Å; L151-S153 PolarHBondContact O-N 3.45Å; S153-D155 VanDerWaalsContact C-N 3.32Å
154	K	96.4	Very high	98	Very high	85 Å²	85	40.1 Å²	40.1	37%	0.37	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	14	177.8	-67	-72.9	177.6	158.3	0	112.9	P123 E124 L150 L151 E152 R156	P123-K154 VanDerWaalsContact CG-NZ 3.34Å; E124-K154 WeakPolarHBondContact OE1-CD 3.27Å; E124-K154 WeakPolarHBondContact OE1-CE 3.2Å; E124-K154 IonicContact OE1-NZ 3.5Å; E124-K154 PolarHBondContact OE1-NZ 3.25Å; E124-K154 IonicContact OE2-NZ 2.76Å; E124-K154 PolarHBondContact OE2-NZ 3.2Å; L150-K154 WeakPolarHBondContact O-CG 3.49Å; L150-K154 PolarHBondContact O-N 3.12Å; L151-K154 CarbonylContact O-C 3.45Å; L151-K154 PolarHBondContact O-N 3.05Å; L151-K154 VanDerWaalsContact O-N 3.16Å; E152-K154 PolarHBondContact O-N 3.1Å; K154-R156 HydrophobicContact CB-CG 4.42Å; K154-R156 PolarHBondContact O-N 3.24Å
155	D	95.5	Very high	98	Very high	88 Å²	88	44.6 Å²	44.6	47%	0.471	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	20.5	-178.5	-143.1	29.9	0	0	0	113.9	L151 E152 S153 L157 Q191	L151-D155 PolarHBondContact O-N 3.44Å; E152-D155 PolarHBondContact O-N 3.49Å; S153-D155 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 3.17Å; D155-Q191 PolarHBondContact O-NE2 2.8Å; D155-Q191 PolarHBondContact OD1-NE2 3.29Å; D155-Q191 PolarHBondContact OD2-NE2 3.31Å
156	R	97.8	Very high	98	Very high	111 Å²	111	44.2 Å²	44.2	42%	0.419	22%	0.217	S	C	.	.			trans	-85.2	59.4	171.8	-66	175.5	58.8	-178.3	-2.6	109.4	L151 K154 S158 D159 A160	L151-R156 HydrophobicContact CB-CB 4.2Å; L151-R156 HydrophobicContact CD2-CB 3.99Å; L151-R156 VanDerWaalsContact CD2-NE 3.32Å; L151-R156 WeakPolarHBondContact O-CA 3.29Å; L151-R156 WeakPolarHBondContact O-CB 3.16Å; L151-R156 PolarHBondContact O-N 2.88Å; K154-R156 HydrophobicContact CB-CG 4.42Å; K154-R156 PolarHBondContact O-N 3.24Å; R156-S158 PolarHBondContact O-N 3.02Å; R156-D159 IonicContact CZ-OD2 3.29Å; R156-D159 IonicContact NE-OD2 3.86Å; R156-D159 PolarHBondContact NE-OD2 2.88Å; R156-D159 VanDerWaalsContact NE-OD2 3.09Å; R156-D159 IonicContact NH2-OD2 3.65Å; R156-D159 PolarHBondContact NH2-OD2 2.84Å; R156-D159 PolarHBondContact O-N 3.2Å; R156-A160 PolarHBondContact O-N 3.28Å
157	L	98.2	Very high	98.1	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-34.9	-163.6	-56	-173.2	0	0	0	113.7	E152 D155 A160 L161 L184 R187 I188	E152-L157 HydrophobicContact CG-CD2 4.26Å; D155-L157 PolarHBondContact O-N 3.17Å; L157-A160 PolarHBondContact O-N 3.37Å; L157-L161 WeakPolarHBondContact O-CB 3.43Å; L157-L161 PolarHBondContact O-N 3.38Å; L157-L184 HydrophobicContact CD2-CD2 4.14Å; L157-R187 HydrophobicContact CD1-CB 3.71Å; L157-I188 HydrophobicContact CB-CD1 4.21Å; L157-I188 HydrophobicContact CB-CG1 3.5Å; L157-I188 HydrophobicContact CD1-CG1 4.39Å
158	S	98.1	Very high	98	Very high	61 Å²	61	42.5 Å²	42.5	43%	0.427	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-47.7	176.7	-58.8	0	0	0	0	111.7	R156 A160 L161 E162	R156-S158 PolarHBondContact O-N 3.02Å; S158-A160 VanDerWaalsContact C-N 3.33Å; S158-A160 PolarHBondContact O-N 3.25Å; S158-L161 PolarHBondContact O-N 3.49Å; S158-E162 PolarHBondContact O-N 3.29Å; S158-E162 VanDerWaalsContact O-N 3.09Å
159	D	98.2	Very high	98	Very high	64 Å²	64	51.3 Å²	51.3	34%	0.342	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-41.5	177.3	-56.3	-13.5	0	0	0	110.5	L151 R156 L161 E162 D163	L151-D159 HydrophobicContact CD1-CB 3.71Å; L151-D159 HydrophobicContact CD2-CB 4.14Å; L151-D159 HydrophobicContact CG-CB 4.38Å; R156-D159 IonicContact CZ-OD2 3.29Å; R156-D159 IonicContact NE-OD2 3.86Å; R156-D159 PolarHBondContact NE-OD2 2.88Å; R156-D159 VanDerWaalsContact NE-OD2 3.09Å; R156-D159 IonicContact NH2-OD2 3.65Å; R156-D159 PolarHBondContact NH2-OD2 2.84Å; R156-D159 PolarHBondContact O-N 3.2Å; D159-L161 VanDerWaalsContact C-N 3.35Å; D159-L161 PolarHBondContact O-N 3.43Å; D159-E162 PolarHBondContact O-N 2.96Å; D159-D163 PolarHBondContact O-N 3.28Å
160	A	98.6	Very high	98	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.1	0	0	0	0	0	112	A148 L151 E152 R156 L157 S158 E162 D163 Y164 L184	A148-A160 WeakPolarHBondContact O-CB 3.3Å; L151-A160 HydrophobicContact CB-CB 3.8Å; E152-A160 HydrophobicContact CB-CB 3.94Å; R156-A160 PolarHBondContact O-N 3.28Å; L157-A160 PolarHBondContact O-N 3.37Å; S158-A160 VanDerWaalsContact C-N 3.33Å; S158-A160 PolarHBondContact O-N 3.25Å; A160-E162 VanDerWaalsContact C-N 3.34Å; A160-E162 PolarHBondContact O-N 3.26Å; A160-D163 PolarHBondContact O-N 2.94Å; A160-Y164 HydrophobicContact CB-CD2 4.46Å; A160-Y164 HydrophobicContact CB-CE2 4.32Å; A160-Y164 WeakPolarHBondContact O-CD2 3.37Å; A160-Y164 PolarHBondContact O-N 2.8Å; A160-L184 HydrophobicContact CB-CD1 4.27Å
161	L	98.7	Very high	97.9	Very high	22 Å²	22	57 Å²	57	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-39.9	178.2	177.8	60	0	0	0	111.6	L157 S158 D159 D163 Y164 Q165 C181 L184 P185 I188	L157-L161 WeakPolarHBondContact O-CB 3.43Å; L157-L161 PolarHBondContact O-N 3.38Å; S158-L161 PolarHBondContact O-N 3.49Å; D159-L161 VanDerWaalsContact C-N 3.35Å; D159-L161 PolarHBondContact O-N 3.43Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 3.13Å; L161-Y164 PolarHBondContact O-N 2.68Å; L161-Q165 HydrophobicContact CD1-CG 4.1Å; L161-Q165 HydrophobicContact CG-CG 4.39Å; L161-Q165 WeakPolarHBondContact O-CB 3.24Å; L161-Q165 VanDerWaalsContact O-CG 3.26Å; L161-Q165 WeakPolarHBondContact O-CG 3.32Å; L161-Q165 PolarHBondContact O-N 2.94Å; L161-C181 HydrophobicContact CD1-CB 4.42Å; L161-L184 HydrophobicContact CB-CB 4.36Å; L161-L184 HydrophobicContact CB-CD1 3.99Å; L161-L184 HydrophobicContact CD1-CB 4.22Å; L161-L184 HydrophobicContact CD1-CD1 4.41Å; L161-P185 HydrophobicContact CD2-CG 4.2Å; L161-I188 HydrophobicContact CB-CD1 4.05Å; L161-I188 HydrophobicContact CD2-CD1 3.6Å; L161-I188 HydrophobicContact CG-CD1 4.47Å
162	E	98.6	Very high	97.8	Very high	127 Å²	127	60.7 Å²	60.7	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-59.4	-45.7	175.7	-173.5	178.2	175.5	0	0	111.5	S158 D159 A160 Q165 K166	S158-E162 PolarHBondContact O-N 3.29Å; S158-E162 VanDerWaalsContact O-N 3.09Å; D159-E162 PolarHBondContact O-N 2.96Å; A160-E162 VanDerWaalsContact C-N 3.34Å; A160-E162 PolarHBondContact O-N 3.26Å; E162-Q165 PolarHBondContact O-N 3.42Å; E162-K166 PolarHBondContact O-N 2.77Å
163	D	98.7	Very high	97.7	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.027	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-45.6	176.4	-77.5	-12.4	0	0	0	112	R147 A148 D159 A160 L161 Q165 K166 I167	R147-D163 IonicContact CZ-OD1 3.28Å; R147-D163 IonicContact CZ-OD2 3.03Å; R147-D163 IonicContact NE-OD1 3.37Å; R147-D163 IonicContact NE-OD2 3.09Å; R147-D163 PolarHBondContact NE-OD2 3.42Å; R147-D163 IonicContact NH2-OD1 2.7Å; R147-D163 PolarHBondContact NH2-OD1 3.49Å; R147-D163 IonicContact NH2-OD2 2.77Å; R147-D163 PolarHBondContact NH2-OD2 3.04Å; A148-D163 HydrophobicContact CB-CB 3.56Å; A148-D163 PolarHBondContact N-OD2 2.92Å; D159-D163 PolarHBondContact O-N 3.28Å; A160-D163 PolarHBondContact O-N 2.94Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-D163 PolarHBondContact O-N 3.13Å; D163-Q165 VanDerWaalsContact C-N 3.33Å; D163-Q165 PolarHBondContact O-N 3.2Å; D163-K166 WeakPolarHBondContact O-CB 3.27Å; D163-K166 PolarHBondContact O-N 2.89Å; D163-K166 VanDerWaalsContact O-N 3.11Å; D163-I167 WeakPolarHBondContact O-CD1 3.44Å; D163-I167 VanDerWaalsContact O-CG1 3.29Å; D163-I167 WeakPolarHBondContact O-CG1 3.26Å; D163-I167 PolarHBondContact O-N 3.29Å
164	Y	98.7	Very high	97.7	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-37.5	176.9	-72.5	-55.9	0	0	0	112.8	A148 E152 A160 L161 K166 I167 L168 K176 A177 A180 L184	A148-Y164 HydrophobicContact CB-CD1 3.81Å; A148-Y164 HydrophobicContact CB-CD2 4Å; A148-Y164 HydrophobicContact CB-CE1 3.63Å; A148-Y164 HydrophobicContact CB-CE2 3.84Å; A148-Y164 HydrophobicContact CB-CG 4.02Å; E152-Y164 VanDerWaalsContact OE2-CE2 3.31Å; E152-Y164 WeakPolarHBondContact OE2-CE2 3.48Å; E152-Y164 PolarHBondContact OE2-OH 3.41Å; A160-Y164 HydrophobicContact CB-CD2 4.46Å; A160-Y164 HydrophobicContact CB-CE2 4.32Å; A160-Y164 WeakPolarHBondContact O-CD2 3.37Å; A160-Y164 PolarHBondContact O-N 2.8Å; L161-Y164 PolarHBondContact O-N 2.68Å; Y164-K166 VanDerWaalsContact C-N 3.32Å; Y164-I167 HydrophobicContact CD1-CD1 3.98Å; Y164-I167 PolarHBondContact O-N 3.32Å; Y164-L168 WeakPolarHBondContact O-CB 3.35Å; Y164-L168 PolarHBondContact O-N 3.32Å; Y164-K176 HydrophobicContact CE1-CD 4.49Å; Y164-K176 HydrophobicContact CE1-CG 4.13Å; Y164-A177 HydrophobicContact CD1-CB 3.98Å; Y164-A180 HydrophobicContact CD1-CB 3.93Å; Y164-A180 HydrophobicContact CD2-CB 3.26Å; Y164-A180 HydrophobicContact CE1-CB 4.02Å; Y164-A180 HydrophobicContact CE2-CB 3.37Å; Y164-A180 HydrophobicContact CG-CB 3.54Å; Y164-L184 HydrophobicContact CD2-CD1 3.62Å; Y164-L184 HydrophobicContact CE2-CD1 3.9Å
165	Q	98.7	Very high	97.7	Very high	95 Å²	95	60.6 Å²	60.6	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-65.4	-37.4	173	-74.5	175.8	-6.1	0	0	111.7	L161 E162 D163 L168 R169	L161-Q165 HydrophobicContact CD1-CG 4.1Å; L161-Q165 HydrophobicContact CG-CG 4.39Å; L161-Q165 WeakPolarHBondContact O-CB 3.24Å; L161-Q165 VanDerWaalsContact O-CG 3.26Å; L161-Q165 WeakPolarHBondContact O-CG 3.32Å; L161-Q165 PolarHBondContact O-N 2.94Å; E162-Q165 PolarHBondContact O-N 3.42Å; D163-Q165 VanDerWaalsContact C-N 3.33Å; D163-Q165 PolarHBondContact O-N 3.2Å; Q165-L168 PolarHBondContact O-N 2.99Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	K	98.6	Very high	97.7	Very high	47 Å²	47	60.2 Å²	60.2	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-45.5	174	-168.2	171.9	-175.3	-178.5	0	111.6	P138 D139 L144 E162 D163 Y164 L168 R169 L170	P138-K166 VanDerWaalsContact CB-NZ 3.33Å; P138-K166 VanDerWaalsContact O-CE 3.3Å; P138-K166 WeakPolarHBondContact O-CE 3.47Å; P138-K166 PolarHBondContact O-NZ 3.04Å; D139-K166 WeakPolarHBondContact OD1-CE 3.5Å; D139-K166 IonicContact OD1-NZ 3.44Å; D139-K166 PolarHBondContact OD1-NZ 2.72Å; L144-K166 HydrophobicContact CD1-CB 4.35Å; L144-K166 HydrophobicContact CD1-CD 3.9Å; L144-K166 HydrophobicContact CD1-CG 3.94Å; L144-K166 HydrophobicContact CD2-CD 4.07Å; E162-K166 PolarHBondContact O-N 2.77Å; D163-K166 WeakPolarHBondContact O-CB 3.27Å; D163-K166 PolarHBondContact O-N 2.89Å; D163-K166 VanDerWaalsContact O-N 3.11Å; Y164-K166 VanDerWaalsContact C-N 3.32Å; K166-L168 VanDerWaalsContact C-N 3.31Å; K166-L168 PolarHBondContact O-N 3.34Å; K166-R169 WeakPolarHBondContact O-CB 3.44Å; K166-R169 PolarHBondContact O-N 2.7Å; K166-R169 VanDerWaalsContact O-N 3.16Å; K166-L170 HydrophobicContact CG-CD1 4.21Å; K166-L170 WeakPolarHBondContact O-CG 3.41Å; K166-L170 PolarHBondContact O-N 3.27Å; K166-L170 VanDerWaalsContact O-N 3.13Å
167	I	98.5	Very high	97.7	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.4	-46.9	174.5	-66.6	156.5	0	0	0	110.2	V141 L144 E145 A148 D163 Y164 R169 L170 D171 N174 A177	V141-I167 HydrophobicContact CG1-CG2 4.18Å; L144-I167 HydrophobicContact CB-CD1 3.85Å; L144-I167 HydrophobicContact CB-CG1 3.56Å; L144-I167 HydrophobicContact CD1-CG1 4.2Å; L144-I167 HydrophobicContact CG-CG1 4.49Å; E145-I167 HydrophobicContact CB-CD1 4.28Å; E145-I167 HydrophobicContact CG-CD1 3.71Å; E145-I167 HydrophobicContact CG-CG1 4.29Å; E145-I167 HydrophobicContact CG-CG2 4.42Å; A148-I167 HydrophobicContact CB-CD1 4.34Å; D163-I167 WeakPolarHBondContact O-CD1 3.44Å; D163-I167 VanDerWaalsContact O-CG1 3.29Å; D163-I167 WeakPolarHBondContact O-CG1 3.26Å; D163-I167 PolarHBondContact O-N 3.29Å; Y164-I167 HydrophobicContact CD1-CD1 3.98Å; Y164-I167 PolarHBondContact O-N 3.32Å; I167-R169 VanDerWaalsContact C-N 3.27Å; I167-R169 PolarHBondContact O-N 3.2Å; I167-L170 PolarHBondContact O-N 2.77Å; I167-L170 VanDerWaalsContact O-N 3.1Å; I167-D171 CarbonylContact O-C 3.35Å; I167-D171 PolarHBondContact O-N 3.03Å; I167-N174 HydrophobicContact CG2-CB 3.82Å; I167-A177 HydrophobicContact CB-CB 3.93Å; I167-A177 HydrophobicContact CG2-CB 3.63Å
168	L	97.8	Very high	97.7	Very high	52 Å²	52	59.8 Å²	59.8	27%	0.272	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-26.4	-178.7	-166.8	66.4	0	0	0	113.4	Y164 Q165 K166 D171 P172 A177 R178	Y164-L168 WeakPolarHBondContact O-CB 3.35Å; Y164-L168 PolarHBondContact O-N 3.32Å; Q165-L168 PolarHBondContact O-N 2.99Å; K166-L168 VanDerWaalsContact C-N 3.31Å; K166-L168 PolarHBondContact O-N 3.34Å; L168-D171 CarbonylContact O-C 3.48Å; L168-P172 WeakPolarHBondContact O-CA 3.46Å; L168-A177 HydrophobicContact CB-CB 4.39Å; L168-R178 HydrophobicContact CD1-CB 4.25Å
169	R	98.2	Very high	97.7	Very high	184 Å²	184	63 Å²	63	69%	0.694	31%	0.308	S	S	*	.	H	α-helix	trans	-71.3	-37.9	171.4	-75.5	-177.1	-71.9	168.4	-3.8	112.4	Q165 K166 I167	Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.91Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; K166-R169 WeakPolarHBondContact O-CB 3.44Å; K166-R169 PolarHBondContact O-N 2.7Å; K166-R169 VanDerWaalsContact O-N 3.16Å; I167-R169 VanDerWaalsContact C-N 3.27Å; I167-R169 PolarHBondContact O-N 3.2Å
170	L	97.3	Very high	97.7	Very high	72 Å²	72	60.1 Å²	60.1	38%	0.377	29%	0.292	S	S	.	.	H	α-helix	trans	-81.5	-40.5	-178.6	-65.8	170.1	0	0	0	112.3	D139 V141 L144 K166 I167	D139-L170 HydrophobicContact CB-CD1 3.81Å; D139-L170 HydrophobicContact CB-CD2 3.95Å; V141-L170 HydrophobicContact CG2-CB 3.93Å; V141-L170 HydrophobicContact CG2-CD1 3.89Å; L144-L170 HydrophobicContact CD1-CD1 3.82Å; K166-L170 HydrophobicContact CG-CD1 4.21Å; K166-L170 WeakPolarHBondContact O-CG 3.41Å; K166-L170 PolarHBondContact O-N 3.27Å; K166-L170 VanDerWaalsContact O-N 3.13Å; I167-L170 PolarHBondContact O-N 2.77Å; I167-L170 VanDerWaalsContact O-N 3.1Å
171	D	96.3	Very high	97.7	Very high	63 Å²	63	61.4 Å²	61.4	34%	0.337	30%	0.301	S	S	.	.			trans	-132.2	88.6	177.1	175.5	15.4	0	0	0	109.6	I167 L168 G173 N174	I167-D171 CarbonylContact O-C 3.35Å; I167-D171 PolarHBondContact O-N 3.03Å; L168-D171 CarbonylContact O-C 3.48Å; D171-G173 PolarHBondContact O-N 3.38Å; D171-G173 VanDerWaalsContact O-N 3.1Å; D171-G173 WeakPolarHBondContact OD1-CA 3.45Å; D171-G173 PolarHBondContact OD1-N 3.17Å; D171-N174 HydrophobicContact CB-CB 4.27Å; D171-N174 VanDerWaalsContact O-CB 3.25Å; D171-N174 WeakPolarHBondContact O-CB 3.4Å; D171-N174 PolarHBondContact O-N 2.94Å; D171-N174 VanDerWaalsContact O-N 3.08Å; D171-N174 PolarHBondContact OD1-N 3.41Å; D171-N174 WeakPolarHBondContact OD2-CB 3.49Å
172	P	96.5	Very high	97.7	Very high	81 Å²	81	64.1 Å²	64.1	53%	0.526	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.7	174.1	-25.1	35	0	0	0	113.3	L168 N174 R178	L168-P172 WeakPolarHBondContact O-CA 3.46Å; P172-N174 VanDerWaalsContact C-N 3.29Å; P172-R178 PolarHBondContact O-NH2 3.19Å
173	G	96.2	Very high	97.6	Very high	46 Å²	46	60.3 Å²	60.3	47%	0.474	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.9	177.4	0	0	0	0	0	113.4	D171 Q175 R178	D171-G173 PolarHBondContact O-N 3.38Å; D171-G173 VanDerWaalsContact O-N 3.1Å; D171-G173 WeakPolarHBondContact OD1-CA 3.45Å; D171-G173 PolarHBondContact OD1-N 3.17Å; G173-Q175 PolarHBondContact O-N 3.47Å; G173-R178 PolarHBondContact O-NH1 3.26Å
174	N	96.5	Very high	97.6	Very high	15 Å²	15	60 Å²	60	8%	0.08	31%	0.311	C	S	.	.			trans	-61.1	108	-171.4	-162.7	-68.4	0	0	0	113.1	E145 I167 D171 P172 K176 A177 R178	E145-N174 PolarHBondContact OE1-ND2 3.34Å; I167-N174 HydrophobicContact CG2-CB 3.82Å; D171-N174 HydrophobicContact CB-CB 4.27Å; D171-N174 VanDerWaalsContact O-CB 3.25Å; D171-N174 WeakPolarHBondContact O-CB 3.4Å; D171-N174 PolarHBondContact O-N 2.94Å; D171-N174 VanDerWaalsContact O-N 3.08Å; D171-N174 PolarHBondContact OD1-N 3.41Å; D171-N174 WeakPolarHBondContact OD2-CB 3.49Å; P172-N174 VanDerWaalsContact C-N 3.29Å; N174-K176 PolarHBondContact OD1-N 3.06Å; N174-A177 HydrophobicContact CB-CB 4.02Å; N174-A177 WeakPolarHBondContact OD1-CB 3.29Å; N174-A177 PolarHBondContact OD1-N 2.84Å; N174-R178 WeakPolarHBondContact O-CB 3.41Å; N174-R178 PolarHBondContact O-N 3.49Å
175	Q	96.5	Very high	97.6	Very high	133 Å²	133	62.8 Å²	62.8	62%	0.621	33%	0.329	S	S	*	.	H	α-helix	trans	-71.1	-36.4	-174.5	-64.7	-63.6	6.3	0	0	113.1	G173 R178 H179	G173-Q175 PolarHBondContact O-N 3.47Å; Q175-R178 VanDerWaalsContact CD-NH1 3.28Å; Q175-R178 PolarHBondContact O-N 2.96Å; Q175-H179 WeakPolarHBondContact O-CB 3.04Å; Q175-H179 PolarHBondContact O-N 3.36Å
176	K	95.5	Very high	97.6	Very high	81 Å²	81	62.6 Å²	62.6	35%	0.352	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-48.4	178.8	-173.1	176.2	-179	174.3	0	110.5	T149 Y164 N174 R178 H179 A180	T149-K176 VanDerWaalsContact OG1-CE 3.28Å; T149-K176 WeakPolarHBondContact OG1-CE 3.47Å; T149-K176 PolarHBondContact OG1-NZ 3.28Å; Y164-K176 HydrophobicContact CE1-CD 4.49Å; Y164-K176 HydrophobicContact CE1-CG 4.13Å; N174-K176 PolarHBondContact OD1-N 3.06Å; K176-R178 PolarHBondContact O-N 2.88Å; K176-H179 PolarHBondContact O-N 3.41Å; K176-A180 WeakPolarHBondContact O-CB 3.5Å; K176-A180 PolarHBondContact O-N 3.4Å
177	A	97.8	Very high	97.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-42	176.4	0	0	0	0	0	112.5	Y164 I167 L168 N174 H179 A180 C181	Y164-A177 HydrophobicContact CD1-CB 3.98Å; I167-A177 HydrophobicContact CB-CB 3.93Å; I167-A177 HydrophobicContact CG2-CB 3.63Å; L168-A177 HydrophobicContact CB-CB 4.39Å; N174-A177 HydrophobicContact CB-CB 4.02Å; N174-A177 WeakPolarHBondContact OD1-CB 3.29Å; N174-A177 PolarHBondContact OD1-N 2.84Å; A177-H179 PolarHBondContact O-N 2.96Å; A177-A180 PolarHBondContact O-N 3.48Å; A177-C181 VanDerWaalsContact O-CB 3.29Å; A177-C181 WeakPolarHBondContact O-CB 3.37Å; A177-C181 PolarHBondContact O-N 3.32Å; A177-C181 PolarHBondContact O-SG 3.35Å
178	R	98.3	Very high	97.5	Very high	105 Å²	105	65.7 Å²	65.7	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-48.2	175.3	-179.7	-172.8	-74.3	94.5	3.6	111.9	L168 P172 G173 N174 Q175 K176 C181 A182	L168-R178 HydrophobicContact CD1-CB 4.25Å; P172-R178 PolarHBondContact O-NH2 3.19Å; G173-R178 PolarHBondContact O-NH1 3.26Å; N174-R178 WeakPolarHBondContact O-CB 3.41Å; N174-R178 PolarHBondContact O-N 3.49Å; Q175-R178 VanDerWaalsContact CD-NH1 3.28Å; Q175-R178 PolarHBondContact O-N 2.96Å; K176-R178 PolarHBondContact O-N 2.88Å; R178-C181 PolarHBondContact O-N 2.93Å; R178-A182 PolarHBondContact O-N 3.04Å; R178-A182 VanDerWaalsContact O-N 3.11Å
179	H	98.2	Very high	97.6	Very high	129 Å²	129	68.5 Å²	68.5	60%	0.597	35%	0.347	S	S	*	.	H	α-helix	trans	-62.8	-45.3	178.9	177.8	-88.5	0	0	0	111.7	Q175 K176 A177 A182 T183	Q175-H179 WeakPolarHBondContact O-CB 3.04Å; Q175-H179 PolarHBondContact O-N 3.36Å; K176-H179 PolarHBondContact O-N 3.41Å; A177-H179 PolarHBondContact O-N 2.96Å; H179-A182 PolarHBondContact O-N 3.43Å; H179-T183 WeakPolarHBondContact O-CG2 3.33Å; H179-T183 PolarHBondContact O-N 3.47Å; H179-T183 VanDerWaalsContact O-N 3.12Å; H179-T183 PolarHBondContact O-OG1 3.27Å
180	A	98.1	Very high	97.5	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.017	34%	0.336	C	S	.	.	H	α-helix	trans	-62.3	-46.4	177.4	0	0	0	0	0	111.9	Y164 K176 A177 A182 T183 L184	Y164-A180 HydrophobicContact CD1-CB 3.93Å; Y164-A180 HydrophobicContact CD2-CB 3.26Å; Y164-A180 HydrophobicContact CE1-CB 4.02Å; Y164-A180 HydrophobicContact CE2-CB 3.37Å; Y164-A180 HydrophobicContact CG-CB 3.54Å; K176-A180 WeakPolarHBondContact O-CB 3.5Å; K176-A180 PolarHBondContact O-N 3.4Å; A177-A180 PolarHBondContact O-N 3.48Å; A180-A182 PolarHBondContact O-N 2.91Å; A180-T183 PolarHBondContact O-N 2.86Å; A180-T183 PolarHBondContact O-OG1 3.39Å; A180-L184 HydrophobicContact CB-CD1 4.03Å; A180-L184 HydrophobicContact CB-CG 4.32Å; A180-L184 VanDerWaalsContact O-CB 3.3Å; A180-L184 WeakPolarHBondContact O-CB 3.37Å; A180-L184 VanDerWaalsContact O-CG 3.29Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 3.33Å
181	C	98.1	Very high	97.4	Very high	27 Å²	27	62.6 Å²	62.6	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-27.6	176.1	-75.3	0	0	0	0	113.5	L161 A177 R178 P185	L161-C181 HydrophobicContact CD1-CB 4.42Å; A177-C181 VanDerWaalsContact O-CB 3.29Å; A177-C181 WeakPolarHBondContact O-CB 3.37Å; A177-C181 PolarHBondContact O-N 3.32Å; A177-C181 PolarHBondContact O-SG 3.35Å; R178-C181 PolarHBondContact O-N 2.93Å; C181-P185 VanDerWaalsContact O-CD 3.31Å; C181-P185 WeakPolarHBondContact O-CD 3.32Å; C181-P185 WeakPolarHBondContact O-CG 3.49Å
182	A	98.2	Very high	97.4	Very high	79 Å²	79	63.4 Å²	63.4	65%	0.653	33%	0.331	S	S	*	.	H	α-helix	trans	-80.2	-27.3	175.3	0	0	0	0	0	113.6	R178 H179 A180	R178-A182 PolarHBondContact O-N 3.04Å; R178-A182 VanDerWaalsContact O-N 3.11Å; H179-A182 PolarHBondContact O-N 3.43Å; A180-A182 PolarHBondContact O-N 2.91Å
183	T	97.9	Very high	97.4	Very high	47 Å²	47	64.3 Å²	64.3	29%	0.288	33%	0.329	S	S	.	.	H	α-helix	trans	-108.1	-34.9	-169.4	52.7	0	0	0	0	113.8	H179 A180 R187	H179-T183 WeakPolarHBondContact O-CG2 3.33Å; H179-T183 PolarHBondContact O-N 3.47Å; H179-T183 VanDerWaalsContact O-N 3.12Å; H179-T183 PolarHBondContact O-OG1 3.27Å; A180-T183 PolarHBondContact O-N 2.86Å; A180-T183 PolarHBondContact O-OG1 3.39Å; T183-R187 PolarHBondContact O-N 3.31Å
184	L	98.3	Very high	97.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-37.5	-178.4	-69.2	-179.3	0	0	0	114.5	E152 L157 A160 L161 Y164 A180 E186 R187 I188	E152-L184 HydrophobicContact CG-CD2 4.15Å; L157-L184 HydrophobicContact CD2-CD2 4.14Å; A160-L184 HydrophobicContact CB-CD1 4.27Å; L161-L184 HydrophobicContact CB-CB 4.36Å; L161-L184 HydrophobicContact CB-CD1 3.99Å; L161-L184 HydrophobicContact CD1-CB 4.22Å; L161-L184 HydrophobicContact CD1-CD1 4.41Å; Y164-L184 HydrophobicContact CD2-CD1 3.62Å; Y164-L184 HydrophobicContact CE2-CD1 3.9Å; A180-L184 HydrophobicContact CB-CD1 4.03Å; A180-L184 HydrophobicContact CB-CG 4.32Å; A180-L184 VanDerWaalsContact O-CB 3.3Å; A180-L184 WeakPolarHBondContact O-CB 3.37Å; A180-L184 VanDerWaalsContact O-CG 3.29Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 3.33Å; L184-E186 VanDerWaalsContact C-N 3.29Å; L184-E186 PolarHBondContact O-N 3.2Å; L184-R187 PolarHBondContact O-N 2.96Å; L184-R187 VanDerWaalsContact O-N 3.12Å; L184-I188 HydrophobicContact CB-CD1 4.31Å; L184-I188 WeakPolarHBondContact O-CB 3.42Å; L184-I188 WeakPolarHBondContact O-CD1 3.46Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.45Å; L184-I188 PolarHBondContact O-N 2.97Å
185	P	98.5	Very high	97.2	Very high	61 Å²	61	72 Å²	72	40%	0.396	35%	0.351	S	S	.	.	H	α-helix	trans	-55.9	-41.3	-179.9	-28.8	36.5	0	0	0	113.8	L161 C181 R189	L161-P185 HydrophobicContact CD2-CG 4.2Å; C181-P185 VanDerWaalsContact O-CD 3.31Å; C181-P185 WeakPolarHBondContact O-CD 3.32Å; C181-P185 WeakPolarHBondContact O-CG 3.49Å; P185-R189 PolarHBondContact O-N 3.13Å
186	E	98	Very high	97.1	Very high	91 Å²	91	73.2 Å²	73.2	43%	0.425	35%	0.354	S	S	.	.	H	α-helix	trans	-71.5	-40.3	177.6	179.3	58.6	-172.6	0	0	111.7	L184 I188 R189 I190	L184-E186 VanDerWaalsContact C-N 3.29Å; L184-E186 PolarHBondContact O-N 3.2Å; E186-I188 VanDerWaalsContact C-N 3.32Å; E186-I188 PolarHBondContact O-N 2.99Å; E186-R189 WeakPolarHBondContact O-CB 3.41Å; E186-R189 PolarHBondContact O-N 3.37Å; E186-R189 IonicContact OE1-CZ 3.5Å; E186-R189 IonicContact OE1-NE 3.46Å; E186-R189 PolarHBondContact OE1-NE 3.06Å; E186-R189 IonicContact OE1-NH2 2.7Å; E186-R189 PolarHBondContact OE1-NH2 2.99Å; E186-R189 IonicContact OE2-CZ 3.67Å; E186-R189 IonicContact OE2-NE 2.85Å; E186-R189 PolarHBondContact OE2-NE 3.44Å; E186-R189 IonicContact OE2-NH2 3.61Å; E186-I190 HydrophobicContact CG-CD1 4.09Å; E186-I190 WeakPolarHBondContact O-CG1 3.15Å; E186-I190 PolarHBondContact O-N 3.31Å
187	R	98.1	Very high	97.1	Very high	92 Å²	92	76.5 Å²	76.5	35%	0.347	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-41.8	174.5	-69.2	173.8	57	-167.8	-2	111.9	E152 L157 T183 L184 I190 Q191	E152-R187 IonicContact OE1-CZ 2.74Å; E152-R187 IonicContact OE1-NH1 2.67Å; E152-R187 PolarHBondContact OE1-NH1 3.47Å; L157-R187 HydrophobicContact CD1-CB 3.71Å; T183-R187 PolarHBondContact O-N 3.31Å; L184-R187 PolarHBondContact O-N 2.96Å; L184-R187 VanDerWaalsContact O-N 3.12Å; R187-I190 PolarHBondContact O-N 3.3Å; R187-Q191 WeakPolarHBondContact O-CB 3.33Å; R187-Q191 PolarHBondContact O-N 3.2Å
188	I	98.3	Very high	97	Very high	20 Å²	20	81.3 Å²	81.3	10%	0.103	39%	0.393	C	S	.	.	H	α-helix	trans	-62.6	-43.9	175.2	-69.1	161.8	0	0	0	110.3	L157 L161 L184 E186 I190 Q191 N192	L157-I188 HydrophobicContact CB-CD1 4.21Å; L157-I188 HydrophobicContact CB-CG1 3.5Å; L157-I188 HydrophobicContact CD1-CG1 4.39Å; L161-I188 HydrophobicContact CB-CD1 4.05Å; L161-I188 HydrophobicContact CD2-CD1 3.6Å; L161-I188 HydrophobicContact CG-CD1 4.47Å; L184-I188 HydrophobicContact CB-CD1 4.31Å; L184-I188 WeakPolarHBondContact O-CB 3.42Å; L184-I188 WeakPolarHBondContact O-CD1 3.46Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.45Å; L184-I188 PolarHBondContact O-N 2.97Å; E186-I188 VanDerWaalsContact C-N 3.32Å; E186-I188 PolarHBondContact O-N 2.99Å; I188-I190 PolarHBondContact O-N 3.18Å; I188-Q191 PolarHBondContact O-N 3.42Å; I188-N192 WeakPolarHBondContact CG2-ND2 3.4Å; I188-N192 VanDerWaalsContact O-CB 3.32Å; I188-N192 WeakPolarHBondContact O-CB 3.47Å; I188-N192 PolarHBondContact O-N 2.89Å; I188-N192 PolarHBondContact O-ND2 2.86Å
189	R	98.1	Very high	96.8	Very high	111 Å²	111	81.4 Å²	81.4	42%	0.419	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-49.5	176.2	-170.8	-173.4	71.5	82	2.4	111.2	P185 E186 N192 E193	P185-R189 PolarHBondContact O-N 3.13Å; E186-R189 WeakPolarHBondContact O-CB 3.41Å; E186-R189 PolarHBondContact O-N 3.37Å; E186-R189 IonicContact OE1-CZ 3.5Å; E186-R189 IonicContact OE1-NE 3.46Å; E186-R189 PolarHBondContact OE1-NE 3.06Å; E186-R189 IonicContact OE1-NH2 2.7Å; E186-R189 PolarHBondContact OE1-NH2 2.99Å; E186-R189 IonicContact OE2-CZ 3.67Å; E186-R189 IonicContact OE2-NE 2.85Å; E186-R189 PolarHBondContact OE2-NE 3.44Å; E186-R189 IonicContact OE2-NH2 3.61Å; R189-N192 PolarHBondContact O-N 3.05Å; R189-E193 IonicContact CZ-OE1 3.77Å; R189-E193 IonicContact CZ-OE2 3.86Å; R189-E193 IonicContact NH1-OE1 2.98Å; R189-E193 PolarHBondContact NH1-OE1 3.4Å; R189-E193 IonicContact NH1-OE2 2.65Å; R189-E193 PolarHBondContact NH1-OE2 3.15Å; R189-E193 WeakPolarHBondContact O-CG 3.14Å; R189-E193 PolarHBondContact O-N 3.27Å
190	I	97	Very high	96.6	Very high	92 Å²	92	81 Å²	81	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-45.6	178.7	-66.4	168	0	0	0	110.9	E186 R187 I188 N192 E193 K194	E186-I190 HydrophobicContact CG-CD1 4.09Å; E186-I190 WeakPolarHBondContact O-CG1 3.15Å; E186-I190 PolarHBondContact O-N 3.31Å; R187-I190 PolarHBondContact O-N 3.3Å; I188-I190 PolarHBondContact O-N 3.18Å; I190-N192 VanDerWaalsContact C-N 3.35Å; I190-N192 PolarHBondContact O-N 3.04Å; I190-E193 PolarHBondContact O-N 3.31Å; I190-K194 WeakPolarHBondContact O-CB 3.33Å; I190-K194 PolarHBondContact O-N 3.36Å
191	Q	94.7	Very high	96.4	Very high	39 Å²	39	82.1 Å²	82.1	18%	0.182	41%	0.408	C	S	.	.	H	α-helix	trans	-60.4	-44.2	178.1	-173.7	-173.9	63.5	0	0	111.5	D155 R187 I188 K194 M195	D155-Q191 PolarHBondContact O-NE2 2.8Å; D155-Q191 PolarHBondContact OD1-NE2 3.29Å; D155-Q191 PolarHBondContact OD2-NE2 3.31Å; R187-Q191 WeakPolarHBondContact O-CB 3.33Å; R187-Q191 PolarHBondContact O-N 3.2Å; I188-Q191 PolarHBondContact O-N 3.42Å; Q191-K194 PolarHBondContact O-N 2.96Å; Q191-M195 WeakPolarHBondContact O-CB 3.44Å; Q191-M195 PolarHBondContact O-N 3.4Å
192	N	95.7	Very high	96.3	Very high	80 Å²	80	86.8 Å²	86.8	43%	0.428	43%	0.427	S	S	.	.	H	α-helix	trans	-66.9	-38.5	178.2	-72.5	-20.9	0	0	0	112.3	I188 R189 I190 K196	I188-N192 WeakPolarHBondContact CG2-ND2 3.4Å; I188-N192 VanDerWaalsContact O-CB 3.32Å; I188-N192 WeakPolarHBondContact O-CB 3.47Å; I188-N192 PolarHBondContact O-N 2.89Å; I188-N192 PolarHBondContact O-ND2 2.86Å; R189-N192 PolarHBondContact O-N 3.05Å; I190-N192 VanDerWaalsContact C-N 3.35Å; I190-N192 PolarHBondContact O-N 3.04Å; N192-K196 WeakPolarHBondContact O-CB 3.49Å; N192-K196 PolarHBondContact O-N 3.21Å
193	E	96.5	Very high	96.1	Very high	100 Å²	100	88.2 Å²	88.2	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-44.7	174.9	-77.7	175	-176.8	0	0	111.4	R189 I190 K196 E197	R189-E193 IonicContact CZ-OE1 3.77Å; R189-E193 IonicContact CZ-OE2 3.86Å; R189-E193 IonicContact NH1-OE1 2.98Å; R189-E193 PolarHBondContact NH1-OE1 3.4Å; R189-E193 IonicContact NH1-OE2 2.65Å; R189-E193 PolarHBondContact NH1-OE2 3.15Å; R189-E193 WeakPolarHBondContact O-CG 3.14Å; R189-E193 PolarHBondContact O-N 3.27Å; I190-E193 PolarHBondContact O-N 3.31Å; E193-K196 PolarHBondContact O-N 3.18Å; E193-E197 PolarHBondContact O-N 3.45Å
194	K	95.7	Very high	95.9	Very high	130 Å²	130	89.5 Å²	89.5	57%	0.565	43%	0.425	S	S	*	.	H	α-helix	trans	-60.9	-50.2	175.1	-177.3	-179.3	174	-174.3	0	111.7	I190 Q191 K196 E197 E198	I190-K194 WeakPolarHBondContact O-CB 3.33Å; I190-K194 PolarHBondContact O-N 3.36Å; Q191-K194 PolarHBondContact O-N 2.96Å; K194-K196 VanDerWaalsContact C-N 3.29Å; K194-K196 PolarHBondContact O-N 3.15Å; K194-E197 PolarHBondContact O-N 3.46Å; K194-E197 VanDerWaalsContact O-N 3.17Å; K194-E198 WeakPolarHBondContact CE-OE1 3.43Å; K194-E198 WeakPolarHBondContact O-CG 3.42Å; K194-E198 PolarHBondContact O-N 3.2Å
195	M	93.9	Very high	95.7	Very high	94 Å²	94	96.1 Å²	96.1	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-39.4	178.4	-170.6	179.6	-60.2	0	0	111.4	Q191 E198 M199	Q191-M195 WeakPolarHBondContact O-CB 3.44Å; Q191-M195 PolarHBondContact O-N 3.4Å; M195-E198 PolarHBondContact O-N 3.45Å; M195-M199 HydrophobicContact CG-CG 4.4Å; M195-M199 HydrophobicContact CG-SD 4.16Å; M195-M199 WeakPolarHBondContact O-CB 3.48Å; M195-M199 WeakPolarHBondContact O-CG 3.41Å; M195-M199 PolarHBondContact O-N 3.04Å
196	K	94.8	Very high	95.6	Very high	157 Å²	157	98 Å²	98	68%	0.683	46%	0.462	S	S	*	.	H	α-helix	trans	-62.9	-42.7	175.3	-178	-178.9	178.9	-177.7	0	112.1	N192 E193 K194 F200	N192-K196 WeakPolarHBondContact O-CB 3.49Å; N192-K196 PolarHBondContact O-N 3.21Å; E193-K196 PolarHBondContact O-N 3.18Å; K194-K196 VanDerWaalsContact C-N 3.29Å; K194-K196 PolarHBondContact O-N 3.15Å; K196-F200 WeakPolarHBondContact O-CB 3.35Å; K196-F200 PolarHBondContact O-N 2.64Å
197	E	95.5	Very high	95.4	Very high	150 Å²	150	94.6 Å²	94.6	70%	0.701	45%	0.451	S	S	*	.	H	α-helix	trans	-64.5	-44.7	176.7	-174.5	172.4	-171.2	0	0	111.6	E193 K194 F200 G201	E193-E197 PolarHBondContact O-N 3.45Å; K194-E197 PolarHBondContact O-N 3.46Å; K194-E197 VanDerWaalsContact O-N 3.17Å; E197-F200 PolarHBondContact O-N 3.31Å; E197-G201 PolarHBondContact O-N 3.23Å
198	E	95.6	Very high	95.2	Very high	101 Å²	101	92.5 Å²	92.5	47%	0.472	45%	0.447	S	S	.	.	H	α-helix	trans	-60.8	-49.2	175.8	-72	173.8	-176.5	0	0	111.7	K194 M195 F200 G201 Q202	K194-E198 WeakPolarHBondContact CE-OE1 3.43Å; K194-E198 WeakPolarHBondContact O-CG 3.42Å; K194-E198 PolarHBondContact O-N 3.2Å; M195-E198 PolarHBondContact O-N 3.45Å; E198-F200 VanDerWaalsContact C-N 3.33Å; E198-F200 PolarHBondContact O-N 2.92Å; E198-G201 PolarHBondContact O-N 2.67Å; E198-Q202 WeakPolarHBondContact O-CG 3.49Å; E198-Q202 PolarHBondContact O-N 3.21Å
199	M	94.3	Very high	95.1	Very high	107 Å²	107	97.6 Å²	97.6	53%	0.527	47%	0.473	S	S	.	.	H	α-helix	trans	-61	-41.8	176.4	-72.8	-178.3	71.2	0	0	111.7	M195 G201 Q202 L203	M195-M199 HydrophobicContact CG-CG 4.4Å; M195-M199 HydrophobicContact CG-SD 4.16Å; M195-M199 WeakPolarHBondContact O-CB 3.48Å; M195-M199 WeakPolarHBondContact O-CG 3.41Å; M195-M199 PolarHBondContact O-N 3.04Å; M199-G201 VanDerWaalsContact C-N 3.33Å; M199-G201 PolarHBondContact O-N 2.97Å; M199-Q202 PolarHBondContact O-N 3.22Å; M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 VanDerWaalsContact O-CG 3.29Å; M199-L203 WeakPolarHBondContact O-CG 3.49Å; M199-L203 PolarHBondContact O-N 3.18Å
200	F	93.1	Very high	94.9	Very high	121 Å²	121	97.2 Å²	97.2	53%	0.531	48%	0.479	S	S	.	.	H	α-helix	trans	-64.4	-39.6	176.5	-174.8	-106.6	0	0	0	111.8	K196 E197 E198 L203 K204	K196-F200 WeakPolarHBondContact O-CB 3.35Å; K196-F200 PolarHBondContact O-N 2.64Å; E197-F200 PolarHBondContact O-N 3.31Å; E198-F200 VanDerWaalsContact C-N 3.33Å; E198-F200 PolarHBondContact O-N 2.92Å; F200-L203 PolarHBondContact O-N 3.13Å; F200-K204 HydrophobicContact CD1-CD 4.2Å; F200-K204 HydrophobicContact CE1-CD 3.8Å; F200-K204 HydrophobicContact CE1-CG 4.26Å; F200-K204 HydrophobicContact CZ-CD 4.33Å; F200-K204 HydrophobicContact CZ-CG 4.44Å; F200-K204 WeakPolarHBondContact O-CG 3.23Å; F200-K204 PolarHBondContact O-N 3.33Å
201	G	93.9	Very high	94.8	Very high	25 Å²	25	94.3 Å²	94.3	26%	0.258	46%	0.464	S	S	.	.	H	α-helix	trans	-59.5	-46.2	171.9	0	0	0	0	0	112.5	E197 E198 M199 K204 Q205	E197-G201 PolarHBondContact O-N 3.23Å; E198-G201 PolarHBondContact O-N 2.67Å; M199-G201 VanDerWaalsContact C-N 3.33Å; M199-G201 PolarHBondContact O-N 2.97Å; G201-K204 WeakPolarHBondContact O-CB 3.43Å; G201-K204 PolarHBondContact O-N 2.91Å; G201-Q205 WeakPolarHBondContact O-CG 3.44Å; G201-Q205 PolarHBondContact O-N 3.1Å
202	Q	95.4	Very high	94.7	Very high	125 Å²	125	100.5 Å²	100.5	58%	0.584	49%	0.49	S	S	*	.	H	α-helix	trans	-63.5	-42	176.2	-69.9	176	0.1	0	0	112.2	E198 M199 K204 Q205 L206	E198-Q202 WeakPolarHBondContact O-CG 3.49Å; E198-Q202 PolarHBondContact O-N 3.21Å; M199-Q202 PolarHBondContact O-N 3.22Å; Q202-K204 VanDerWaalsContact C-N 3.33Å; Q202-K204 PolarHBondContact O-N 3.2Å; Q202-Q205 PolarHBondContact O-N 3.04Å; Q202-L206 PolarHBondContact O-N 3.46Å
203	L	95.6	Very high	94.6	Very high	109 Å²	109	101.9 Å²	101.9	57%	0.571	50%	0.503	S	S	*	.	H	α-helix	trans	-62.7	-39.8	175.2	-73.9	170.8	0	0	0	111.9	M199 F200 L206 G207	M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 VanDerWaalsContact O-CG 3.29Å; M199-L203 WeakPolarHBondContact O-CG 3.49Å; M199-L203 PolarHBondContact O-N 3.18Å; F200-L203 PolarHBondContact O-N 3.13Å; L203-L206 PolarHBondContact O-N 2.88Å; L203-G207 PolarHBondContact O-N 3Å
204	K	92.9	Very high	94.4	Very high	74 Å²	74	104.3 Å²	104.3	32%	0.322	51%	0.512	S	S	.	.	H	α-helix	trans	-61.7	-44	172.9	-82.1	-174.1	160.6	-168.8	0	112.2	F200 G201 Q202 G207 N208 D219	F200-K204 HydrophobicContact CD1-CD 4.2Å; F200-K204 HydrophobicContact CE1-CD 3.8Å; F200-K204 HydrophobicContact CE1-CG 4.26Å; F200-K204 HydrophobicContact CZ-CD 4.33Å; F200-K204 HydrophobicContact CZ-CG 4.44Å; F200-K204 WeakPolarHBondContact O-CG 3.23Å; F200-K204 PolarHBondContact O-N 3.33Å; G201-K204 WeakPolarHBondContact O-CB 3.43Å; G201-K204 PolarHBondContact O-N 2.91Å; Q202-K204 VanDerWaalsContact C-N 3.33Å; Q202-K204 PolarHBondContact O-N 3.2Å; K204-G207 PolarHBondContact O-N 3.43Å; K204-N208 WeakPolarHBondContact O-CB 3.36Å; K204-N208 PolarHBondContact O-N 2.86Å; K204-D219 IonicContact NZ-OD1 3.64Å
205	Q	94.4	Very high	94.1	Very high	139 Å²	139	101.3 Å²	101.3	65%	0.65	52%	0.519	S	S	*	.	H	α-helix	trans	-62.2	-45.2	177.2	-70.1	173.7	34.4	0	0	111.5	G201 Q202 N208 L209	G201-Q205 WeakPolarHBondContact O-CG 3.44Å; G201-Q205 PolarHBondContact O-N 3.1Å; Q202-Q205 PolarHBondContact O-N 3.04Å; Q205-N208 PolarHBondContact O-N 3.3Å; Q205-L209 PolarHBondContact O-N 2.93Å
206	L	96.4	Very high	94	Very high	102 Å²	102	99 Å²	99	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-45.9	175.5	-179.3	61.1	0	0	0	111.7	Q202 L203 N208 L209 I210	Q202-L206 PolarHBondContact O-N 3.46Å; L203-L206 PolarHBondContact O-N 2.88Å; L206-N208 PolarHBondContact O-N 3.07Å; L206-L209 WeakPolarHBondContact O-CB 3.29Å; L206-L209 PolarHBondContact O-N 3.47Å; L206-I210 PolarHBondContact O-N 3Å
207	G	94	Very high	93.9	Very high	18 Å²	18	92.7 Å²	92.7	19%	0.186	48%	0.484	C	S	.	.	H	α-helix	trans	-60.4	-43.7	176.1	0	0	0	0	0	112.3	L203 K204 L209 I210 L211	L203-G207 PolarHBondContact O-N 3Å; K204-G207 PolarHBondContact O-N 3.43Å; G207-L209 VanDerWaalsContact C-N 3.3Å; G207-L209 PolarHBondContact O-N 3.24Å; G207-I210 PolarHBondContact O-N 3.2Å; G207-L211 WeakPolarHBondContact O-CB 3.43Å; G207-L211 VanDerWaalsContact O-CG 3.23Å; G207-L211 WeakPolarHBondContact O-CG 3.42Å; G207-L211 PolarHBondContact O-N 3.5Å
208	N	94.2	Very high	93.7	Very high	49 Å²	49	87 Å²	87	26%	0.262	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-35	177	-73.8	-11.3	0	0	0	112.5	K204 Q205 L206 I210 L211 K212 S217 T218	K204-N208 WeakPolarHBondContact O-CB 3.36Å; K204-N208 PolarHBondContact O-N 2.86Å; Q205-N208 PolarHBondContact O-N 3.3Å; L206-N208 PolarHBondContact O-N 3.07Å; N208-I210 VanDerWaalsContact C-N 3.32Å; N208-I210 PolarHBondContact O-N 3.38Å; N208-L211 PolarHBondContact O-N 2.88Å; N208-K212 VanDerWaalsContact O-CB 3.27Å; N208-K212 WeakPolarHBondContact O-CB 3.49Å; N208-K212 PolarHBondContact O-N 3.39Å; N208-S217 WeakPolarHBondContact OD1-CA 3.47Å; N208-S217 PolarHBondContact OD1-OG 3.4Å; N208-S217 VanDerWaalsContact OD1-OG 3.08Å; N208-T218 WeakPolarHBondContact OD1-CB 3.42Å; N208-T218 WeakPolarHBondContact OD1-CG2 3.28Å; N208-T218 PolarHBondContact OD1-N 3.46Å; N208-T218 PolarHBondContact OD1-OG1 3.43Å
209	L	95.1	Very high	93.5	Very high	127 Å²	127	86 Å²	86	67%	0.665	46%	0.457	S	S	*	.	H	α-helix	trans	-61.3	-42.1	175	-172.9	151.2	0	0	0	111.4	Q205 L206 G207	Q205-L209 PolarHBondContact O-N 2.93Å; L206-L209 WeakPolarHBondContact O-CB 3.29Å; L206-L209 PolarHBondContact O-N 3.47Å; G207-L209 VanDerWaalsContact C-N 3.3Å; G207-L209 PolarHBondContact O-N 3.24Å
210	I	95.3	Very high	93.4	Very high	103 Å²	103	81.6 Å²	81.6	53%	0.528	44%	0.436	S	S	.	.	H	α-helix	trans	-72.5	-36.3	178.1	-62.6	171.6	0	0	0	111.7	L206 G207 N208 P213	L206-I210 PolarHBondContact O-N 3Å; G207-I210 PolarHBondContact O-N 3.2Å; N208-I210 VanDerWaalsContact C-N 3.32Å; N208-I210 PolarHBondContact O-N 3.38Å; I210-P213 WeakPolarHBondContact O-CD 3.46Å
211	L	93.6	Very high	93.3	Very high	30 Å²	30	79.7 Å²	79.7	16%	0.157	43%	0.428	C	S	.	.	H	α-helix	trans	-82.5	-22.7	-174.8	-71.8	174.2	0	0	0	113.8	G207 N208 F214 G215 L216 S217 T218 F221	G207-L211 WeakPolarHBondContact O-CB 3.43Å; G207-L211 VanDerWaalsContact O-CG 3.23Å; G207-L211 WeakPolarHBondContact O-CG 3.42Å; G207-L211 PolarHBondContact O-N 3.5Å; N208-L211 PolarHBondContact O-N 2.88Å; L211-F214 WeakPolarHBondContact O-CA 3.35Å; L211-F214 WeakPolarHBondContact O-CB 3.4Å; L211-F214 PolarHBondContact O-N 3.17Å; L211-G215 PolarHBondContact O-N 3.36Å; L211-L216 CarbonylContact C-O 3.58Å; L211-L216 VanDerWaalsContact C-O 3.27Å; L211-L216 HydrophobicContact CB-CB 3.82Å; L211-L216 VanDerWaalsContact CB-O 3.3Å; L211-L216 WeakPolarHBondContact CB-O 3.45Å; L211-L216 HydrophobicContact CD2-CB 3.99Å; L211-L216 HydrophobicContact CD2-CD1 4.2Å; L211-L216 HydrophobicContact CG-CB 4.35Å; L211-L216 PolarHBondContact O-N 3.09Å; L211-L216 VanDerWaalsContact O-N 3.08Å; L211-S217 VanDerWaalsContact CD1-C 3.48Å; L211-T218 HydrophobicContact CD1-CG2 3.94Å; L211-F221 HydrophobicContact CD1-CD2 4.31Å; L211-F221 HydrophobicContact CD1-CE2 3.74Å; L211-F221 HydrophobicContact CD2-CE2 4.17Å; L211-F221 HydrophobicContact CD2-CZ 4.45Å
212	K	92	Very high	93.1	Very high	169 Å²	169	83.3 Å²	83.3	74%	0.735	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-56.2	-42.9	-176.6	-173.3	177.9	-177.4	-178.5	0	114.6	N208 F214 G215	N208-K212 VanDerWaalsContact O-CB 3.27Å; N208-K212 WeakPolarHBondContact O-CB 3.49Å; N208-K212 PolarHBondContact O-N 3.39Å; K212-F214 PolarHBondContact O-N 3.4Å; K212-F214 VanDerWaalsContact O-N 3.16Å; K212-G215 PolarHBondContact O-N 2.95Å
213	P	93.5	Very high	92.8	Very high	109 Å²	109	81.8 Å²	81.8	71%	0.708	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-60.2	-22.4	175.4	-24.2	35.5	0	0	0	114.2	I210	I210-P213 WeakPolarHBondContact O-CD 3.46Å
214	F	92.4	Very high	92.3	Very high	151 Å²	151	81.6 Å²	81.6	66%	0.662	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-93.8	4	178	-56.8	-78	0	0	0	112.8	L211 K212 L216	L211-F214 WeakPolarHBondContact O-CA 3.35Å; L211-F214 WeakPolarHBondContact O-CB 3.4Å; L211-F214 PolarHBondContact O-N 3.17Å; K212-F214 PolarHBondContact O-N 3.4Å; K212-F214 VanDerWaalsContact O-N 3.16Å; F214-L216 HydrophobicContact CB-CB 4.46Å; F214-L216 HydrophobicContact CB-CD1 4.19Å; F214-L216 HydrophobicContact CB-CG 3.95Å; F214-L216 PolarHBondContact O-N 3.19Å
215	G	89.7	Confident	92	Very high	68 Å²	68	84.4 Å²	84.4	70%	0.701	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	22	-173	0	0	0	0	0	113.1	L211 K212	L211-G215 PolarHBondContact O-N 3.36Å; K212-G215 PolarHBondContact O-N 2.95Å
216	L	93.1	Very high	91.5	Very high	44 Å²	44	80.8 Å²	80.8	23%	0.23	43%	0.429	C	S	.	.			trans	-109.1	160.8	-176.6	-59.4	-171.8	0	0	0	111.5	L211 F214 F236	L211-L216 CarbonylContact C-O 3.58Å; L211-L216 VanDerWaalsContact C-O 3.27Å; L211-L216 HydrophobicContact CB-CB 3.82Å; L211-L216 VanDerWaalsContact CB-O 3.3Å; L211-L216 WeakPolarHBondContact CB-O 3.45Å; L211-L216 HydrophobicContact CD2-CB 3.99Å; L211-L216 HydrophobicContact CD2-CD1 4.2Å; L211-L216 HydrophobicContact CG-CB 4.35Å; L211-L216 PolarHBondContact O-N 3.09Å; L211-L216 VanDerWaalsContact O-N 3.08Å; F214-L216 HydrophobicContact CB-CB 4.46Å; F214-L216 HydrophobicContact CB-CD1 4.19Å; F214-L216 HydrophobicContact CB-CG 3.95Å; F214-L216 PolarHBondContact O-N 3.19Å; L216-F236 HydrophobicContact CD1-CE2 4.14Å; L216-F236 HydrophobicContact CD1-CZ 4.27Å; L216-F236 HydrophobicContact CD2-CE2 3.87Å; L216-F236 HydrophobicContact CD2-CZ 3.46Å; L216-F236 VanDerWaalsContact CD2-CZ 3.46Å; L216-F236 HydrophobicContact CG-CZ 4.47Å
217	S	92.3	Very high	90.9	Very high	26 Å²	26	82.1 Å²	82.1	18%	0.182	44%	0.444	C	S	.	.			trans	-136.7	153	173.2	172.2	0	0	0	0	109.1	N208 L211 D219 N220 F221	N208-S217 WeakPolarHBondContact OD1-CA 3.47Å; N208-S217 PolarHBondContact OD1-OG 3.4Å; N208-S217 VanDerWaalsContact OD1-OG 3.08Å; L211-S217 VanDerWaalsContact CD1-C 3.48Å; S217-D219 PolarHBondContact O-N 3Å; S217-D219 VanDerWaalsContact O-N 3.16Å; S217-D219 PolarHBondContact OG-N 3.31Å; S217-D219 VanDerWaalsContact OG-N 3.11Å; S217-D219 PolarHBondContact OG-OD2 2.98Å; S217-N220 WeakPolarHBondContact CA-OD1 3.28Å; S217-N220 WeakPolarHBondContact CB-OD1 3.45Å; S217-N220 PolarHBondContact N-OD1 2.88Å; S217-N220 VanDerWaalsContact O-CB 3.26Å; S217-N220 WeakPolarHBondContact O-CB 3.46Å; S217-N220 PolarHBondContact O-N 3.29Å; S217-N220 PolarHBondContact O-OD1 3.03Å; S217-N220 VanDerWaalsContact O-OD1 3.1Å; S217-F221 WeakPolarHBondContact O-CD2 3.47Å
218	T	91.9	Very high	90.5	Very high	29 Å²	29	90.1 Å²	90.1	18%	0.178	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-55	-26.5	168.1	53.6	0	0	0	0	111.7	N208 L211 N220 F221	N208-T218 WeakPolarHBondContact OD1-CB 3.42Å; N208-T218 WeakPolarHBondContact OD1-CG2 3.28Å; N208-T218 PolarHBondContact OD1-N 3.46Å; N208-T218 PolarHBondContact OD1-OG1 3.43Å; L211-T218 HydrophobicContact CD1-CG2 3.94Å; T218-N220 PolarHBondContact O-N 3.1Å; T218-F221 PolarHBondContact O-N 2.89Å; T218-F221 VanDerWaalsContact O-N 3.1Å
219	D	91.4	Very high	89.8	Confident	81 Å²	81	90.5 Å²	90.5	43%	0.433	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-69.6	-19	175.6	-62.7	-46.7	0	0	0	113.7	K204 S217 F221 K222	K204-D219 IonicContact NZ-OD1 3.64Å; S217-D219 PolarHBondContact O-N 3Å; S217-D219 VanDerWaalsContact O-N 3.16Å; S217-D219 PolarHBondContact OG-N 3.31Å; S217-D219 VanDerWaalsContact OG-N 3.11Å; S217-D219 PolarHBondContact OG-OD2 2.98Å; D219-F221 PolarHBondContact O-N 2.9Å; D219-K222 VanDerWaalsContact O-CE 3.28Å; D219-K222 WeakPolarHBondContact O-CE 3.37Å; D219-K222 PolarHBondContact O-NZ 3.34Å
220	N	91.7	Very high	89.1	Confident	14 Å²	14	93.2 Å²	93.2	8%	0.075	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-69.3	-21	171.9	-62.4	108.7	0	0	0	111.8	S217 T218 F236 V237	S217-N220 WeakPolarHBondContact CA-OD1 3.28Å; S217-N220 WeakPolarHBondContact CB-OD1 3.45Å; S217-N220 PolarHBondContact N-OD1 2.88Å; S217-N220 VanDerWaalsContact O-CB 3.26Å; S217-N220 WeakPolarHBondContact O-CB 3.46Å; S217-N220 PolarHBondContact O-N 3.29Å; S217-N220 PolarHBondContact O-OD1 3.03Å; S217-N220 VanDerWaalsContact O-OD1 3.1Å; T218-N220 PolarHBondContact O-N 3.1Å; N220-F236 HydrophobicContact CB-CD2 3.84Å; N220-F236 HydrophobicContact CB-CE2 3.4Å; N220-F236 VanDerWaalsContact CB-CE2 3.4Å; N220-F236 HydrophobicContact CB-CZ 4.12Å; N220-F236 CarbonylContact O-C 3.6Å; N220-F236 WeakPolarHBondContact O-CA 3.45Å; N220-V237 WeakPolarHBondContact CA-O 3.39Å; N220-V237 WeakPolarHBondContact CB-O 3.46Å; N220-V237 PolarHBondContact ND2-O 2.63Å; N220-V237 PolarHBondContact O-N 2.76Å
221	F	91.1	Very high	88.8	Confident	82 Å²	82	89.9 Å²	89.9	36%	0.36	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	107.6	-179.8	-60	-93.8	0	0	0	109.9	L211 S217 T218 D219 I234 F236	L211-F221 HydrophobicContact CD1-CD2 4.31Å; L211-F221 HydrophobicContact CD1-CE2 3.74Å; L211-F221 HydrophobicContact CD2-CE2 4.17Å; L211-F221 HydrophobicContact CD2-CZ 4.45Å; S217-F221 WeakPolarHBondContact O-CD2 3.47Å; T218-F221 PolarHBondContact O-N 2.89Å; T218-F221 VanDerWaalsContact O-N 3.1Å; D219-F221 PolarHBondContact O-N 2.9Å; F221-I234 HydrophobicContact CB-CG2 3.99Å; F221-I234 HydrophobicContact CD1-CG2 4.15Å; F221-F236 AromaticContact CD1-CD2 3.93Å; F221-F236 HydrophobicContact CD1-CD2 3.93Å; F221-F236 HydrophobicContact CD2-CD2 4.3Å; F221-F236 AromaticContact CE1-CD2 3.64Å; F221-F236 HydrophobicContact CE1-CD2 3.64Å; F221-F236 HydrophobicContact CE1-CE2 4.32Å; F221-F236 HydrophobicContact CE2-CD2 4.03Å; F221-F236 HydrophobicContact CE2-CE2 4.04Å; F221-F236 HydrophobicContact CG-CD2 4.26Å; F221-F236 AromaticContact CZ-CD2 3.69Å; F221-F236 HydrophobicContact CZ-CD2 3.69Å; F221-F236 AromaticContact CZ-CE2 3.9Å; F221-F236 HydrophobicContact CZ-CE2 3.9Å
222	K	89.1	Confident	88.5	Confident	100 Å²	100	96 Å²	96	44%	0.435	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.8	178.8	-59.1	-53.3	-171.8	-159.9	0	110.5	D219 N235 V237	D219-K222 VanDerWaalsContact O-CE 3.28Å; D219-K222 WeakPolarHBondContact O-CE 3.37Å; D219-K222 PolarHBondContact O-NZ 3.34Å; K222-N235 PolarHBondContact N-O 2.76Å; K222-N235 PolarHBondContact O-N 3.27Å; K222-V237 HydrophobicContact CG-CG2 4.11Å
223	V	88.7	Confident	88.4	Confident	93 Å²	93	90.3 Å²	90.3	56%	0.564	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.4	172.9	-173.7	0	0	0	0	109.2	Y232 I234	V223-Y232 HydrophobicContact CG1-CD1 3.78Å; V223-Y232 HydrophobicContact CG1-CG 4.3Å; V223-I234 HydrophobicContact CG2-CG1 4.3Å
224	Q	86.4	Confident	88.2	Confident	106 Å²	106	90.6 Å²	90.6	50%	0.495	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.4	173	-65.9	179.1	15.2	0	0	109	Y232 S233 N235	Q224-Y232 WeakPolarHBondContact O-CA 3.28Å; Q224-S233 PolarHBondContact N-O 2.93Å; Q224-S233 PolarHBondContact O-N 3.38Å; Q224-S233 PolarHBondContact O-OG 3.47Å; Q224-N235 PolarHBondContact NE2-ND2 2.95Å; Q224-N235 PolarHBondContact OE1-ND2 2.91Å
225	K	86.5	Confident	88	Confident	132 Å²	132	86.7 Å²	86.7	57%	0.574	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	128.6	172.4	-171.6	176.8	179	-179.2	0	108.4	Y232	K225-Y232 HydrophobicContact CB-CD1 4.03Å; K225-Y232 HydrophobicContact CB-CE1 3.92Å; K225-Y232 HydrophobicContact CD-CE1 4.27Å; K225-Y232 HydrophobicContact CG-CD1 4.32Å; K225-Y232 HydrophobicContact CG-CE1 4.02Å
226	N	83.9	Confident	88.1	Confident	64 Å²	64	88 Å²	88	34%	0.342	45%	0.453	S	S	.	.			trans	-68.7	128.5	174	-171.8	-26.4	0	0	0	108.3	E228 S229 G231	N226-E228 VanDerWaalsContact C-N 3.31Å; N226-E228 PolarHBondContact OD1-N 2.95Å; N226-S229 CarbonylContact C-O 3.57Å; N226-S229 WeakPolarHBondContact CB-OG 3.31Å; N226-S229 VanDerWaalsContact CG-OG 3.26Å; N226-S229 PolarHBondContact ND2-OG 2.94Å; N226-S229 VanDerWaalsContact ND2-OG 3.14Å; N226-G231 PolarHBondContact N-O 3.08Å
227	P	82.9	Confident	87.7	Confident	130 Å²	130	89.2 Å²	89.2	84%	0.844	46%	0.463	S	S	*	.	S	Bend	trans	-72.9	-24.4	177.8	26.5	-32.4	0	0	0	113
228	E	85	Confident	87	Confident	186 Å²	186	95 Å²	95	87%	0.869	49%	0.487	S	S	*	.	S	Bend	trans	-92.3	-15.5	-176.7	-61.7	-178	174.3	0	0	113.2	N226	N226-E228 VanDerWaalsContact C-N 3.31Å; N226-E228 PolarHBondContact OD1-N 2.95Å
229	S	80.7	Confident	85.6	Confident	57 Å²	57	99.9 Å²	99.9	40%	0.399	51%	0.512	S	S	.	.	S	Bend	trans	-135.6	154.3	176.5	66.3	0	0	0	0	110.9	N226 G231	N226-S229 CarbonylContact C-O 3.57Å; N226-S229 WeakPolarHBondContact CB-OG 3.31Å; N226-S229 VanDerWaalsContact CG-OG 3.26Å; N226-S229 PolarHBondContact ND2-OG 2.94Å; N226-S229 VanDerWaalsContact ND2-OG 3.14Å; S229-G231 PolarHBondContact O-N 2.94Å
230	E	80.2	Confident	84	Confident	183 Å²	183	100.5 Å²	100.5	86%	0.855	53%	0.528	S	S	*	.	S	Bend	trans	-69.5	4.5	175.4	-63.7	-168.8	157.4	0	0	113.8
231	G	88.1	Confident	82.1	Confident	34 Å²	34	103.8 Å²	103.8	35%	0.351	56%	0.558	S	S	.	*			trans	-82.1	164.4	-178.1	0	0	0	0	0	115	N226 S229	N226-G231 PolarHBondContact N-O 3.08Å; S229-G231 PolarHBondContact O-N 2.94Å
232	Y	88.3	Confident	80.1	Confident	159 Å²	159	105.9 Å²	105.9	62%	0.624	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.4	137.5	174.8	-64	-92.3	0	0	0	110.1	V223 Q224 K225	V223-Y232 HydrophobicContact CG1-CD1 3.78Å; V223-Y232 HydrophobicContact CG1-CG 4.3Å; Q224-Y232 WeakPolarHBondContact O-CA 3.28Å; K225-Y232 HydrophobicContact CB-CD1 4.03Å; K225-Y232 HydrophobicContact CB-CE1 3.92Å; K225-Y232 HydrophobicContact CD-CE1 4.27Å; K225-Y232 HydrophobicContact CG-CD1 4.32Å; K225-Y232 HydrophobicContact CG-CE1 4.02Å
233	S	89.3	Confident	77.9	Confident	49 Å²	49	106.1 Å²	106.1	34%	0.343	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	139.9	169.5	59.2	0	0	0	0	110.3	Q224	Q224-S233 PolarHBondContact N-O 2.93Å; Q224-S233 PolarHBondContact O-N 3.38Å; Q224-S233 PolarHBondContact O-OG 3.47Å
234	I	89.5	Confident	76.3	Confident	114 Å²	114	107.9 Å²	107.9	59%	0.585	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.3	117.3	176	-53.9	-179.1	0	0	0	108.4	F221 V223	F221-I234 HydrophobicContact CB-CG2 3.99Å; F221-I234 HydrophobicContact CD1-CG2 4.15Å; V223-I234 HydrophobicContact CG2-CG1 4.3Å
235	N	89.5	Confident	74.7	Confident	69 Å²	69	115.4 Å²	115.4	37%	0.369	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.8	132.5	176.7	-68.5	-42.2	0	0	0	110	K222 Q224	K222-N235 PolarHBondContact N-O 2.76Å; K222-N235 PolarHBondContact O-N 3.27Å; Q224-N235 PolarHBondContact NE2-ND2 2.95Å; Q224-N235 PolarHBondContact OE1-ND2 2.91Å
236	F	90.4	Very high	74.1	Confident	95 Å²	95	114.6 Å²	114.6	42%	0.417	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	127.3	176.2	178.9	-97.7	0	0	0	110.6	L216 N220 F221 Q238	L216-F236 HydrophobicContact CD1-CE2 4.14Å; L216-F236 HydrophobicContact CD1-CZ 4.27Å; L216-F236 HydrophobicContact CD2-CE2 3.87Å; L216-F236 HydrophobicContact CD2-CZ 3.46Å; L216-F236 VanDerWaalsContact CD2-CZ 3.46Å; L216-F236 HydrophobicContact CG-CZ 4.47Å; N220-F236 HydrophobicContact CB-CD2 3.84Å; N220-F236 HydrophobicContact CB-CE2 3.4Å; N220-F236 VanDerWaalsContact CB-CE2 3.4Å; N220-F236 HydrophobicContact CB-CZ 4.12Å; N220-F236 CarbonylContact O-C 3.6Å; N220-F236 WeakPolarHBondContact O-CA 3.45Å; F221-F236 AromaticContact CD1-CD2 3.93Å; F221-F236 HydrophobicContact CD1-CD2 3.93Å; F221-F236 HydrophobicContact CD2-CD2 4.3Å; F221-F236 AromaticContact CE1-CD2 3.64Å; F221-F236 HydrophobicContact CE1-CD2 3.64Å; F221-F236 HydrophobicContact CE1-CE2 4.32Å; F221-F236 HydrophobicContact CE2-CD2 4.03Å; F221-F236 HydrophobicContact CE2-CE2 4.04Å; F221-F236 HydrophobicContact CG-CD2 4.26Å; F221-F236 AromaticContact CZ-CD2 3.69Å; F221-F236 HydrophobicContact CZ-CD2 3.69Å; F221-F236 AromaticContact CZ-CE2 3.9Å; F221-F236 HydrophobicContact CZ-CE2 3.9Å; F236-Q238 HydrophobicContact CE1-CB 3.91Å; F236-Q238 HydrophobicContact CZ-CB 4.35Å
237	V	85.7	Confident	73.6	Confident	71 Å²	71	117.3 Å²	117.3	43%	0.43	66%	0.661	S	S	.	*			trans	-123.7	110.3	179.1	-173.3	0	0	0	0	108.6	N220 K222 N239	N220-V237 WeakPolarHBondContact CA-O 3.39Å; N220-V237 WeakPolarHBondContact CB-O 3.46Å; N220-V237 PolarHBondContact ND2-O 2.63Å; N220-V237 PolarHBondContact O-N 2.76Å; K222-V237 HydrophobicContact CG-CG2 4.11Å; V237-N239 PolarHBondContact O-N 3.19Å
238	Q	76.9	Confident	73.1	Confident	148 Å²	148	116.6 Å²	116.6	69%	0.692	65%	0.651	S	S	*	*			trans	-81.8	114.7	174.4	-165.2	170.8	4.7	0	0	108.8	F236 A240	F236-Q238 HydrophobicContact CE1-CB 3.91Å; F236-Q238 HydrophobicContact CZ-CB 4.35Å; Q238-A240 PolarHBondContact O-N 3.03Å; Q238-A240 VanDerWaalsContact O-N 3.14Å
239	N	63.6	Low	72.4	Confident	131 Å²	131	112.5 Å²	112.5	70%	0.701	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-65	117.4	168.1	-72.8	-14.8	0	0	0	107	V237 A241	V237-N239 PolarHBondContact O-N 3.19Å; N239-A241 PolarHBondContact O-N 2.67Å
240	A	56.5	Low	71.9	Confident	94 Å²	94	115.9 Å²	115.9	78%	0.777	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-53.1	123.5	179.2	0	0	0	0	0	109.2	Q238	Q238-A240 PolarHBondContact O-N 3.03Å; Q238-A240 VanDerWaalsContact O-N 3.14Å
241	A	52.1	Low	71.3	Confident	83 Å²	83	111.5 Å²	111.5	69%	0.686	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-53.8	135.7	171.9	0	0	0	0	0	108.5	N239 S243	N239-A241 PolarHBondContact O-N 2.67Å; A241-S243 PolarHBondContact O-N 3.27Å; A241-S243 VanDerWaalsContact O-N 3.12Å
242	P	48.6	Very low	70.1	Confident	125 Å²	125	117 Å²	117	81%	0.812	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-56.1	125.4	176.5	21.9	-30	0	0	0	108.1
243	S	44.1	Very low	68.7	Low	106 Å²	106	113.8 Å²	113.8	74%	0.741	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-52.9	132.7	178.5	-51.8	0	0	0	0	109	A241 Q245	A241-S243 PolarHBondContact O-N 3.27Å; A241-S243 VanDerWaalsContact O-N 3.12Å; S243-Q245 PolarHBondContact O-N 2.76Å
244	P	54.3	Low	67	Low	129 Å²	129	119.2 Å²	119.2	84%	0.838	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-58.9	126.6	173.9	23	-29.3	0	0	0	108.6
245	Q	52.9	Low	65	Low	265 Å²	265	119.6 Å²	119.6	100%	1.238	70%	0.7	S	S	*	*			trans	-67.2	0	168.6	-74.6	-174.7	-17.7	0	0	110.7	S243	S243-Q245 PolarHBondContact O-N 2.76Å

Retrieved 245 of 245 residues in 290.5 ms (Link to these results)

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