A0A077Z8E2_TRITR Loading...

Putative calcium-dependent protein kinase family protein

AlphaFold DB , UniProt , Accession A0A077Z8E2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 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	32.3	Very low	37.7	Very low	245 Å²	245	171.3 Å²	171.3	100%	1.207	85%	0.851	S	S	*	*				0	131.4	0	-76.4	-176.6	176	0	0	108.7
2	G	36.3	Very low	38.7	Very low	76 Å²	76	174 Å²	174	78%	0.784	86%	0.855	S	S	*	*			trans	65.8	119.4	151.6	0	0	0	0	0	120.2
3	D	37.6	Very low	38.6	Very low	151 Å²	151	174.8 Å²	174.8	81%	0.807	85%	0.851	S	S	*	*				-160.5	147.1	97.5	-143.2	-86.3	0	0	0	111.8
4	K	35.1	Very low	38.7	Very low	190 Å²	190	173.6 Å²	173.6	83%	0.826	84%	0.843	S	S	*	*			trans	-112.3	141.7	179.3	-85.5	174.3	172.2	173.8	0	107.1
5	R	40.4	Very low	38.6	Very low	227 Å²	227	171.9 Å²	171.9	86%	0.857	84%	0.838	S	S	*	*			trans	-168.6	95	148.3	-101.8	158.1	-154.6	-139.1	8.4	108.6
6	Q	38.7	Very low	38.5	Very low	193 Å²	193	173.9 Å²	173.9	90%	0.902	84%	0.835	S	S	*	*				82	120.2	88.9	-96.8	-172.3	-15.6	0	0	115.1
7	R	33.1	Very low	38.3	Very low	230 Å²	230	173.9 Å²	173.9	87%	0.868	83%	0.834	S	S	*	*			trans	-62.9	144.6	175.9	-64.8	170.5	167.6	170.5	-5.3	111.9
8	K	45	Very low	38	Very low	204 Å²	204	172.2 Å²	172.2	89%	0.887	83%	0.83	S	S	*	*			trans	-122.9	98.8	148.4	-81.3	-174.9	177	-179.2	0	108.6
9	Q	38	Very low	38.1	Very low	184 Å²	184	170.3 Å²	170.3	86%	0.86	82%	0.824	S	S	*	*			trans	-65.6	122.7	154.5	-83.1	176.6	-21	0	0	107
10	V	42.2	Very low	38.4	Very low	125 Å²	125	170.9 Å²	170.9	76%	0.758	83%	0.826	S	S	*	*			trans	-105.4	118.7	163.1	-165.9	0	0	0	0	105.2
11	G	36.1	Very low	38.4	Very low	59 Å²	59	171.9 Å²	171.9	61%	0.608	83%	0.829	S	S	*	*			trans	-61.9	148.5	-167.5	0	0	0	0	0	113.5	F13	G11-F13 PolarHBondContact O-N 2.93Å
12	F	49.7	Very low	38.8	Very low	204 Å²	204	169.2 Å²	169.2	90%	0.895	81%	0.811	S	S	*	*	S	Bend	trans	-64.6	9.5	-177	-161.4	-102.2	0	0	0	115
13	F	37.9	Very low	39.2	Very low	185 Å²	185	176.6 Å²	176.6	81%	0.811	82%	0.815	S	S	*	*			trans	-116.2	76.9	177.6	-77.6	-86.5	0	0	0	110	G11	G11-F13 PolarHBondContact O-N 2.93Å
14	Q	39.8	Very low	39.2	Very low	158 Å²	158	176.2 Å²	176.2	74%	0.738	81%	0.813	S	S	*	*			trans	-93.1	97.6	157.2	-105.9	176.3	13.8	0	0	108.1	Y16	Q14-Y16 PolarHBondContact O-N 2.67Å
15	I	36.3	Very low	39.4	Very low	148 Å²	148	175.5 Å²	175.5	76%	0.759	82%	0.815	S	S	*	*			trans	-64.4	108	163.3	-60	166.6	0	0	0	106.2
16	Y	37.2	Very low	39.7	Very low	204 Å²	204	168.6 Å²	168.6	80%	0.8	81%	0.806	S	S	*	*			trans	-119.4	98.2	161.3	-103.7	-85.4	0	0	0	108.9	Q14	Q14-Y16 PolarHBondContact O-N 2.67Å
17	H	35.7	Very low	39.5	Very low	174 Å²	174	167.1 Å²	167.1	81%	0.806	80%	0.801	S	S	*	*			trans	16.5	129.3	145.9	-111.3	-92.5	0	0	0	120.4
18	D	33.6	Very low	39.7	Very low	142 Å²	142	160.8 Å²	160.8	76%	0.759	79%	0.785	S	S	*	*			trans	-46.8	162.2	159.9	-140.5	-71.1	0	0	0	114.4
19	D	38.3	Very low	39.5	Very low	136 Å²	136	160 Å²	160	73%	0.727	78%	0.784	S	S	*	*			trans	97.9	52	159.2	-130.3	-63.1	0	0	0	121.5
20	Q	44.5	Very low	39.8	Very low	183 Å²	183	153.8 Å²	153.8	86%	0.855	77%	0.77	S	S	*	*	S	Bend	trans	-157.5	7.5	154	-120.1	159.7	54.6	0	0	122.5
21	Q	39.7	Very low	39.6	Very low	191 Å²	191	155.6 Å²	155.6	89%	0.893	77%	0.767	S	S	*	*			trans	-109.1	13.9	178.3	-67.6	-164.1	5.5	0	0	116.3	R23	Q21-R23 PolarHBondContact O-N 3.24Å
22	F	40.2	Very low	39.9	Very low	190 Å²	190	156.7 Å²	156.7	83%	0.833	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	16.5	163.6	-97.9	-82.7	0	0	0	114.3
23	R	44.2	Very low	39.5	Very low	230 Å²	230	151.1 Å²	151.1	87%	0.868	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-0.7	-179.6	-92.1	-167.1	169.4	-166.7	-1.6	117.4	Q21	Q21-R23 PolarHBondContact O-N 3.24Å
24	D	38.2	Very low	39.6	Very low	143 Å²	143	153.1 Å²	153.1	77%	0.765	76%	0.764	S	S	*	*			trans	-112	24.8	174.9	-103.7	-66.2	0	0	0	114.4	A26	D24-A26 PolarHBondContact O-N 3.38Å
25	M	38.6	Very low	39.5	Very low	176 Å²	176	153.8 Å²	153.8	87%	0.867	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	31.1	167	-149.4	175.3	-110.2	0	0	112.5
26	A	46.3	Very low	39.2	Very low	81 Å²	81	150 Å²	150	67%	0.669	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.5	41.2	-175.5	0	0	0	0	0	113.8	D24	D24-A26 PolarHBondContact O-N 3.38Å
27	M	34.3	Very low	39.3	Very low	162 Å²	162	146.5 Å²	146.5	80%	0.798	77%	0.771	S	S	*	*	S	Bend	trans	-146.6	124	153.1	-84.3	-149.4	-175.3	0	0	113.8
28	N	37.4	Very low	39.1	Very low	97 Å²	97	141.2 Å²	141.2	52%	0.519	76%	0.763	S	S	.	*			trans	84.3	46.7	151	-78.1	-57.5	0	0	0	120.7	G30 K31	N28-G30 PolarHBondContact O-N 2.77Å; N28-K31 PolarHBondContact O-N 3.27Å
29	Q	42.3	Very low	39.3	Very low	188 Å²	188	140.5 Å²	140.5	88%	0.879	77%	0.766	S	S	*	*	H	α-helix	trans	-57.8	-16.2	147.5	-76.5	-173.8	10.5	0	0	113	K31	Q29-K31 PolarHBondContact O-N 2.99Å
30	G	42.6	Very low	39	Very low	54 Å²	54	138.6 Å²	138.6	56%	0.557	76%	0.764	S	S	*	*	H	α-helix	trans	-72.6	-17	178	0	0	0	0	0	116	N28	N28-G30 PolarHBondContact O-N 2.77Å
31	K	38.8	Very low	38.3	Very low	163 Å²	163	138.9 Å²	138.9	71%	0.709	77%	0.765	S	S	*	*	H	α-helix	trans	-103.6	-28	-178.9	-79.5	-175.6	176.2	179.3	0	114.5	N28 Q29 A33 R34	N28-K31 PolarHBondContact O-N 3.27Å; Q29-K31 PolarHBondContact O-N 2.99Å; K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 3.32Å; K31-R34 PolarHBondContact O-N 3.08Å
32	A	41.6	Very low	37.7	Very low	81 Å²	81	139.2 Å²	139.2	67%	0.669	76%	0.758	S	S	*	*	H	α-helix	trans	-70.3	-29.3	177.1	0	0	0	0	0	112.5	R34 M35	A32-R34 PolarHBondContact O-N 3.13Å; A32-R34 VanDerWaalsContact O-N 3.13Å; A32-M35 PolarHBondContact O-N 3.04Å
33	A	41.4	Very low	37.1	Very low	87 Å²	87	135.8 Å²	135.8	72%	0.719	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-7.9	178.5	0	0	0	0	0	114.8	K31	K31-A33 VanDerWaalsContact C-N 3.32Å; K31-A33 PolarHBondContact O-N 3.32Å
34	R	39.6	Very low	36.3	Very low	227 Å²	227	129.3 Å²	129.3	86%	0.857	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-2.8	-178.5	-73.2	-164.5	179.5	-148.1	0.8	115.3	K31 A32 G36	K31-R34 PolarHBondContact O-N 3.08Å; A32-R34 PolarHBondContact O-N 3.13Å; A32-R34 VanDerWaalsContact O-N 3.13Å; R34-G36 PolarHBondContact O-N 3.38Å
35	M	37.8	Very low	35.7	Very low	172 Å²	172	130.8 Å²	130.8	85%	0.847	74%	0.743	S	S	*	*			trans	-92.4	69.2	165.8	-68.7	-134.9	-68.2	0	0	109.3	A32 C37	A32-M35 PolarHBondContact O-N 3.04Å; M35-C37 PolarHBondContact O-N 3.45Å
36	G	31.5	Very low	35.2	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	74%	0.735	S	S	*	*			trans	-65.4	112.9	170.7	0	0	0	0	0	110.4	R34	R34-G36 PolarHBondContact O-N 3.38Å
37	C	38.6	Very low	34.1	Very low	130 Å²	130	133 Å²	133	88%	0.878	74%	0.737	S	S	*	*			trans	-95.5	113.2	148.7	-67.4	0	0	0	0	106	M35	M35-C37 PolarHBondContact O-N 3.45Å
38	G	30.7	Very low	34	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	73%	0.727	S	S	*	*			trans	-60	163.5	-172	0	0	0	0	0	114.3	S40	G38-S40 PolarHBondContact O-N 3.37Å
39	P	38.9	Very low	33.5	Very low	127 Å²	127	129.8 Å²	129.8	83%	0.825	73%	0.73	S	S	*	*			trans	-66.1	103.3	-175.3	26.7	-32.6	0	0	0	109.9	Q41	P39-Q41 PolarHBondContact O-N 3.37Å; P39-Q41 VanDerWaalsContact O-N 3.08Å
40	S	31.2	Very low	33	Very low	96 Å²	96	124.9 Å²	124.9	67%	0.671	70%	0.704	S	S	*	*			trans	-63.4	106.9	162.7	-178.1	0	0	0	0	107.6	G38 R42	G38-S40 PolarHBondContact O-N 3.37Å; S40-R42 PolarHBondContact O-N 2.91Å
41	Q	29.9	Very low	32.2	Very low	189 Å²	189	124.5 Å²	124.5	88%	0.883	70%	0.695	S	S	*	*			trans	-71.8	50	171.1	-70.2	-176	-13.3	0	0	111.6	P39	P39-Q41 PolarHBondContact O-N 3.37Å; P39-Q41 VanDerWaalsContact O-N 3.08Å
42	R	27.6	Very low	32.1	Very low	198 Å²	198	120.6 Å²	120.6	75%	0.747	69%	0.685	S	S	*	*			trans	-90.6	123.3	155.1	-66.8	-166.5	-174.9	-161.8	2.3	105.5	S40 V44	S40-R42 PolarHBondContact O-N 2.91Å; R42-V44 PolarHBondContact O-N 3.14Å
43	P	27.8	Very low	31.5	Very low	118 Å²	118	123.9 Å²	123.9	77%	0.766	69%	0.692	S	S	*	*			trans	-57.4	103.8	166.8	25.1	-30	0	0	0	104.9	E45	P43-E45 PolarHBondContact O-N 3.48Å
44	V	27.4	Very low	30.8	Very low	95 Å²	95	125.2 Å²	125.2	58%	0.576	68%	0.683	S	S	*	*			trans	-68	98.7	165.3	-175.5	0	0	0	0	101.9	R42 H46	R42-V44 PolarHBondContact O-N 3.14Å; V44-H46 VanDerWaalsContact CB-CD2 3.43Å; V44-H46 WeakPolarHBondContact CB-CD2 3.26Å; V44-H46 VanDerWaalsContact CB-NE2 3.34Å; V44-H46 WeakPolarHBondContact CB-NE2 3.41Å; V44-H46 WeakPolarHBondContact CG1-CD2 3.44Å; V44-H46 WeakPolarHBondContact CG1-NE2 3.33Å; V44-H46 PolarHBondContact O-CD2 3.39Å; V44-H46 PolarHBondContact O-N 3.5Å
45	E	24.6	Very low	30.3	Very low	173 Å²	173	120 Å²	120	81%	0.808	68%	0.678	S	S	*	*			trans	-58.9	85.5	160.5	-65.9	-170.7	125.4	0	0	104.6	P43 E47	P43-E45 PolarHBondContact O-N 3.48Å; E45-E47 PolarHBondContact O-N 3.02Å
46	H	29	Very low	29.9	Very low	151 Å²	151	114.6 Å²	114.6	70%	0.699	66%	0.661	S	S	*	*			trans	-70.3	93.6	172.6	-77.5	-90.3	0	0	0	103.9	V44 T48	V44-H46 VanDerWaalsContact CB-CD2 3.43Å; V44-H46 WeakPolarHBondContact CB-CD2 3.26Å; V44-H46 VanDerWaalsContact CB-NE2 3.34Å; V44-H46 WeakPolarHBondContact CB-NE2 3.41Å; V44-H46 WeakPolarHBondContact CG1-CD2 3.44Å; V44-H46 WeakPolarHBondContact CG1-NE2 3.33Å; V44-H46 PolarHBondContact O-CD2 3.39Å; V44-H46 PolarHBondContact O-N 3.5Å; H46-T48 PolarHBondContact O-N 3.2Å
47	E	24.3	Very low	29.7	Very low	152 Å²	152	112.8 Å²	112.8	71%	0.71	64%	0.639	S	S	*	*			trans	-37.7	116.9	156.3	-79.9	-176.6	95.4	0	0	106.1	E45 V49	E45-E47 PolarHBondContact O-N 3.02Å; E47-V49 HydrophobicContact CB-CG2 3.62Å; E47-V49 PolarHBondContact O-N 3.26Å
48	T	32	Very low	29.2	Very low	95 Å²	95	107.3 Å²	107.3	58%	0.583	61%	0.605	S	S	*	*			trans	-63.2	76.2	162.3	-30.5	0	0	0	0	105.3	H46 W50 K216	H46-T48 PolarHBondContact O-N 3.2Å; T48-W50 PolarHBondContact O-N 3.41Å; T48-K216 PolarHBondContact O-NZ 3.48Å
49	V	25.1	Very low	29.4	Very low	97 Å²	97	107.4 Å²	107.4	59%	0.588	59%	0.594	S	S	*	*			trans	-71.1	88	169.5	-177.7	0	0	0	0	102.6	E47 A51	E47-V49 HydrophobicContact CB-CG2 3.62Å; E47-V49 PolarHBondContact O-N 3.26Å; V49-A51 VanDerWaalsContact C-N 3.25Å; V49-A51 PolarHBondContact O-N 3.18Å
50	W	32.4	Very low	29.4	Very low	86 Å²	86	103.9 Å²	103.9	33%	0.326	57%	0.568	S	S	.	*			trans	-56	110.4	152.9	-69.1	47.6	0	0	0	102.1	T48 T52 L61 V176	T48-W50 PolarHBondContact O-N 3.41Å; W50-T52 PolarHBondContact O-N 2.86Å; W50-L61 HydrophobicContact CE3-CD1 4.04Å; W50-L61 HydrophobicContact CE3-CD2 3.82Å; W50-L61 HydrophobicContact CE3-CG 4.35Å; W50-L61 HydrophobicContact CZ3-CD2 3.7Å; W50-V176 HydrophobicContact CH2-CB 3.86Å; W50-V176 HydrophobicContact CH2-CG1 3.75Å; W50-V176 HydrophobicContact CH2-CG2 3.61Å; W50-V176 HydrophobicContact CZ3-CG1 3.99Å; W50-V176 HydrophobicContact CZ3-CG2 4.29Å
51	A	27.3	Very low	29.8	Very low	46 Å²	46	100.6 Å²	100.6	38%	0.38	54%	0.543	S	S	.	.			trans	-66.3	79.7	178	0	0	0	0	0	107.2	V49 D53 H54	V49-A51 VanDerWaalsContact C-N 3.25Å; V49-A51 PolarHBondContact O-N 3.18Å; A51-D53 PolarHBondContact O-N 3.47Å; A51-H54 HydrophobicContact CB-CB 4.1Å; A51-H54 PolarHBondContact O-N 3.44Å
52	T	34.8	Very low	30.4	Very low	80 Å²	80	94.1 Å²	94.1	49%	0.491	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-20.8	156.4	38.3	0	0	0	0	110	W50 H54 L61	W50-T52 PolarHBondContact O-N 2.86Å; T52-H54 VanDerWaalsContact C-N 3.33Å; T52-L61 HydrophobicContact CG2-CD1 4.26Å
53	D	29.4	Very low	31.1	Very low	151 Å²	151	88.2 Å²	88.2	81%	0.807	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.1	169.1	-85.1	-76.2	0	0	0	115.5	A51 P55	A51-D53 PolarHBondContact O-N 3.47Å; D53-P55 WeakPolarHBondContact O-CD 3.47Å
54	H	26.7	Very low	31.9	Very low	115 Å²	115	85 Å²	85	53%	0.532	47%	0.471	S	S	.	.	S	Bend	trans	-82.2	116	166.7	-149.7	-78.6	0	0	0	107.8	A51 T52 A56 A57 G58	A51-H54 HydrophobicContact CB-CB 4.1Å; A51-H54 PolarHBondContact O-N 3.44Å; T52-H54 VanDerWaalsContact C-N 3.33Å; H54-A56 PolarHBondContact O-N 3.25Å; H54-A57 HydrophobicContact CB-CB 4.05Å; H54-A57 PolarHBondContact O-N 2.78Å; H54-G58 PolarHBondContact O-N 2.9Å
55	P	30.6	Very low	32.8	Very low	117 Å²	117	80.9 Å²	80.9	76%	0.76	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.7	-174.1	22.3	-33.6	0	0	0	114.1	D53 P59	D53-P55 WeakPolarHBondContact O-CD 3.47Å; P55-P59 WeakPolarHBondContact O-CD 3.36Å
56	A	28.6	Very low	33.8	Very low	58 Å²	58	76.2 Å²	76.2	48%	0.479	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-18.2	175.5	0	0	0	0	0	114.4	H54 L60	H54-A56 PolarHBondContact O-N 3.25Å; A56-L60 VanDerWaalsContact O-CD1 3.32Å; A56-L60 WeakPolarHBondContact O-CD1 3.39Å; A56-L60 WeakPolarHBondContact O-CG 3.45Å
57	A	27.5	Very low	34.5	Very low	32 Å²	32	69.9 Å²	69.9	26%	0.264	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-30.6	-176.2	0	0	0	0	0	113.1	H54 L60 L61	H54-A57 HydrophobicContact CB-CB 4.05Å; H54-A57 PolarHBondContact O-N 2.78Å; A57-L60 PolarHBondContact O-N 3.23Å; A57-L61 PolarHBondContact O-N 2.89Å
58	G	28.5	Very low	35.4	Very low	16 Å²	16	63.2 Å²	63.2	17%	0.165	37%	0.37	C	S	.	.	H	α-helix	trans	-52.5	-53.3	172	0	0	0	0	0	112.7	H54 L60 L61 D62	H54-G58 PolarHBondContact O-N 2.9Å; G58-L60 VanDerWaalsContact C-N 3.29Å; G58-L60 PolarHBondContact O-N 2.95Å; G58-L61 PolarHBondContact O-N 3.08Å; G58-D62 PolarHBondContact O-N 3.37Å
59	P	34.5	Very low	35.9	Very low	64 Å²	64	59.3 Å²	59.3	42%	0.416	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-33.3	178.6	-20	30.7	0	0	0	113.3	P55 D62 E63	P55-P59 WeakPolarHBondContact O-CD 3.36Å; P59-D62 PolarHBondContact O-N 2.92Å; P59-E63 VanDerWaalsContact O-CB 3.26Å; P59-E63 WeakPolarHBondContact O-CB 3.21Å; P59-E63 VanDerWaalsContact O-CG 3.24Å; P59-E63 WeakPolarHBondContact O-CG 3.29Å; P59-E63 PolarHBondContact O-N 3.29Å
60	L	38.2	Very low	36.5	Very low	52 Å²	52	63 Å²	63	27%	0.272	35%	0.35	S	S	.	.	H	α-helix	trans	-71.5	-38	-179.7	-72.6	170	0	0	0	111.6	A56 A57 G58 L64	A56-L60 VanDerWaalsContact O-CD1 3.32Å; A56-L60 WeakPolarHBondContact O-CD1 3.39Å; A56-L60 WeakPolarHBondContact O-CG 3.45Å; A57-L60 PolarHBondContact O-N 3.23Å; G58-L60 VanDerWaalsContact C-N 3.29Å; G58-L60 PolarHBondContact O-N 2.95Å; L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 PolarHBondContact O-N 3.04Å
61	L	40.4	Very low	36.5	Very low	27 Å²	27	61.7 Å²	61.7	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-67.6	-44.7	172.5	-86.1	163.2	0	0	0	110.9	W50 T52 A57 G58 E63 L64 I65	W50-L61 HydrophobicContact CE3-CD1 4.04Å; W50-L61 HydrophobicContact CE3-CD2 3.82Å; W50-L61 HydrophobicContact CE3-CG 4.35Å; W50-L61 HydrophobicContact CZ3-CD2 3.7Å; T52-L61 HydrophobicContact CG2-CD1 4.26Å; A57-L61 PolarHBondContact O-N 2.89Å; G58-L61 PolarHBondContact O-N 3.08Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.47Å; L61-L64 PolarHBondContact O-N 3.22Å; L61-I65 VanDerWaalsContact O-CB 3.22Å; L61-I65 WeakPolarHBondContact O-CB 3.29Å; L61-I65 WeakPolarHBondContact O-CD1 3.39Å; L61-I65 WeakPolarHBondContact O-CG1 3.28Å; L61-I65 PolarHBondContact O-N 3.13Å
62	D	42	Very low	36.8	Very low	53 Å²	53	61.6 Å²	61.6	28%	0.283	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-40	174.6	-77.2	-41.1	0	0	0	111.5	G58 P59 I65 D66	G58-D62 PolarHBondContact O-N 3.37Å; P59-D62 PolarHBondContact O-N 2.92Å; D62-I65 PolarHBondContact O-N 3.34Å; D62-D66 WeakPolarHBondContact O-CB 3.32Å; D62-D66 PolarHBondContact O-N 2.94Å
63	E	43	Very low	36.4	Very low	74 Å²	74	58.7 Å²	58.7	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-70.6	-36	175.3	-79.1	176.4	-177.7	0	0	112.7	P59 L61 A67	P59-E63 VanDerWaalsContact O-CB 3.26Å; P59-E63 WeakPolarHBondContact O-CB 3.21Å; P59-E63 VanDerWaalsContact O-CG 3.24Å; P59-E63 WeakPolarHBondContact O-CG 3.29Å; P59-E63 PolarHBondContact O-N 3.29Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.47Å; E63-A67 WeakPolarHBondContact O-CB 3.35Å; E63-A67 PolarHBondContact O-N 3.45Å
64	L	43.7	Very low	36.3	Very low	52 Å²	52	56.4 Å²	56.4	27%	0.272	32%	0.319	S	S	.	.	H	α-helix	trans	-71.8	-37.2	175.3	-134.4	147.8	0	0	0	110.4	L60 L61 L68 L169	L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 PolarHBondContact O-N 3.04Å; L61-L64 PolarHBondContact O-N 3.22Å; L64-L68 HydrophobicContact CD2-CD1 3.64Å; L64-L68 HydrophobicContact CD2-CG 4.16Å; L64-L68 WeakPolarHBondContact O-CB 3.25Å; L64-L68 VanDerWaalsContact O-CD1 3.32Å; L64-L68 WeakPolarHBondContact O-CD1 3.46Å; L64-L68 WeakPolarHBondContact O-CG 3.47Å; L64-L68 PolarHBondContact O-N 3.4Å; L64-L169 HydrophobicContact CD2-CD2 3.56Å; L64-L169 HydrophobicContact CG-CD2 4.07Å
65	I	47.3	Very low	36.3	Very low	7 Å²	7	54.9 Å²	54.9	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-48.9	171.7	-71.1	162.8	0	0	0	109.4	L61 D62 A67 L68 V69 L178 M186 M219	L61-I65 VanDerWaalsContact O-CB 3.22Å; L61-I65 WeakPolarHBondContact O-CB 3.29Å; L61-I65 WeakPolarHBondContact O-CD1 3.39Å; L61-I65 WeakPolarHBondContact O-CG1 3.28Å; L61-I65 PolarHBondContact O-N 3.13Å; D62-I65 PolarHBondContact O-N 3.34Å; I65-A67 VanDerWaalsContact C-N 3.33Å; I65-A67 PolarHBondContact O-N 2.99Å; I65-L68 CarbonylContact O-C 3.56Å; I65-L68 PolarHBondContact O-N 3.28Å; I65-L68 VanDerWaalsContact O-N 3.13Å; I65-V69 HydrophobicContact CG2-CG2 4.01Å; I65-V69 VanDerWaalsContact O-CB 3.27Å; I65-V69 WeakPolarHBondContact O-CB 3.15Å; I65-V69 WeakPolarHBondContact O-CG2 3.25Å; I65-V69 PolarHBondContact O-N 2.93Å; I65-L178 HydrophobicContact CD1-CD1 4.06Å; I65-L178 HydrophobicContact CD1-CD2 3.73Å; I65-L178 HydrophobicContact CG1-CD1 4.32Å; I65-L178 HydrophobicContact CG1-CD2 4.28Å; I65-M186 HydrophobicContact CG2-CB 4.26Å; I65-M186 HydrophobicContact CG2-CE 4.04Å; I65-M186 HydrophobicContact CG2-CG 3.61Å; I65-M186 HydrophobicContact CG2-SD 3.5Å; I65-M186 WeakPolarHBondContact CG2-SD 3.35Å; I65-M219 HydrophobicContact CG1-CE 3.85Å
66	D	44.5	Very low	36	Very low	75 Å²	75	56.1 Å²	56.1	40%	0.401	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-43.6	176.6	-88.8	-10.9	0	0	0	110.3	D62 V69 Y70	D62-D66 WeakPolarHBondContact O-CB 3.32Å; D62-D66 PolarHBondContact O-N 2.94Å; D66-V69 PolarHBondContact O-N 2.77Å; D66-Y70 WeakPolarHBondContact O-CA 3.39Å; D66-Y70 WeakPolarHBondContact O-CB 3.32Å; D66-Y70 WeakPolarHBondContact O-CD2 3.37Å; D66-Y70 PolarHBondContact O-N 2.85Å
67	A	44.7	Very low	35.8	Very low	19 Å²	19	62.4 Å²	62.4	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-37	174.4	0	0	0	0	0	111.9	E63 I65 A71	E63-A67 WeakPolarHBondContact O-CB 3.35Å; E63-A67 PolarHBondContact O-N 3.45Å; I65-A67 VanDerWaalsContact C-N 3.33Å; I65-A67 PolarHBondContact O-N 2.99Å; A67-A71 WeakPolarHBondContact O-CA 3.22Å; A67-A71 WeakPolarHBondContact O-CB 3.46Å; A67-A71 PolarHBondContact O-N 2.86Å
68	L	42.7	Very low	35.9	Very low	12 Å²	12	65.4 Å²	65.4	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-71.3	-40.6	176.8	-79.8	165.8	0	0	0	111.7	L64 I65 K72 M219	L64-L68 HydrophobicContact CD2-CD1 3.64Å; L64-L68 HydrophobicContact CD2-CG 4.16Å; L64-L68 WeakPolarHBondContact O-CB 3.25Å; L64-L68 VanDerWaalsContact O-CD1 3.32Å; L64-L68 WeakPolarHBondContact O-CD1 3.46Å; L64-L68 WeakPolarHBondContact O-CG 3.47Å; L64-L68 PolarHBondContact O-N 3.4Å; I65-L68 CarbonylContact O-C 3.56Å; I65-L68 PolarHBondContact O-N 3.28Å; I65-L68 VanDerWaalsContact O-N 3.13Å; L68-K72 HydrophobicContact CD2-CD 3.81Å; L68-K72 WeakPolarHBondContact O-CB 3.38Å; L68-K72 PolarHBondContact O-N 2.94Å; L68-M219 HydrophobicContact CD1-CE 4.03Å; L68-M219 HydrophobicContact CD1-CG 3.78Å; L68-M219 HydrophobicContact CD1-SD 3.96Å
69	V	41.7	Very low	36.2	Very low	12 Å²	12	71 Å²	71	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-69.1	-47.9	175.8	176	0	0	0	0	109	I65 D66 C73 M186 L190 L226	I65-V69 HydrophobicContact CG2-CG2 4.01Å; I65-V69 VanDerWaalsContact O-CB 3.27Å; I65-V69 WeakPolarHBondContact O-CB 3.15Å; I65-V69 WeakPolarHBondContact O-CG2 3.25Å; I65-V69 PolarHBondContact O-N 2.93Å; D66-V69 PolarHBondContact O-N 2.77Å; V69-C73 VanDerWaalsContact O-CA 3.26Å; V69-C73 WeakPolarHBondContact O-CA 3.27Å; V69-C73 WeakPolarHBondContact O-CB 3.31Å; V69-C73 PolarHBondContact O-N 3.41Å; V69-C73 PolarHBondContact O-SG 3.32Å; V69-M186 HydrophobicContact CG2-CE 3.31Å; V69-L190 HydrophobicContact CG1-CD2 3.81Å; V69-L226 HydrophobicContact CG2-CD1 4.08Å
70	Y	38.6	Very low	35.9	Very low	176 Å²	176	71.7 Å²	71.7	69%	0.69	37%	0.372	S	S	*	.	H	α-helix	trans	-70.1	-36.4	177.4	-93.8	-86.8	0	0	0	113.9	D66	D66-Y70 WeakPolarHBondContact O-CA 3.39Å; D66-Y70 WeakPolarHBondContact O-CB 3.32Å; D66-Y70 WeakPolarHBondContact O-CD2 3.37Å; D66-Y70 PolarHBondContact O-N 2.85Å
71	A	32.7	Very low	35.5	Very low	58 Å²	58	73.7 Å²	73.7	48%	0.479	40%	0.396	S	S	.	.	H	α-helix	trans	-81.2	-26.6	-179.4	0	0	0	0	0	112.9	A67	A67-A71 WeakPolarHBondContact O-CA 3.22Å; A67-A71 WeakPolarHBondContact O-CB 3.46Å; A67-A71 PolarHBondContact O-N 2.86Å
72	K	31.7	Very low	35.1	Very low	43 Å²	43	75.7 Å²	75.7	19%	0.187	42%	0.416	C	S	.	.	H	α-helix	trans	-107.7	-25.6	-179.6	-65.7	159.7	169.7	-173.9	0	114.4	L68 D74 E173 R223	L68-K72 HydrophobicContact CD2-CD 3.81Å; L68-K72 WeakPolarHBondContact O-CB 3.38Å; L68-K72 PolarHBondContact O-N 2.94Å; K72-D74 PolarHBondContact O-N 2.82Å; K72-E173 IonicContact NZ-OE1 2.61Å; K72-E173 PolarHBondContact NZ-OE1 3.08Å; K72-E173 IonicContact NZ-OE2 3.07Å; K72-E173 PolarHBondContact NZ-OE2 3.11Å; K72-R223 HydrophobicContact CD-CG 3.83Å; K72-R223 VanDerWaalsContact CD-CZ 3.5Å; K72-R223 VanDerWaalsContact CE-NE 3.33Å
73	C	28.1	Very low	34.6	Very low	20 Å²	20	75.8 Å²	75.8	14%	0.135	43%	0.425	C	S	.	.			trans	-76.1	74.9	155.4	-53.8	0	0	0	0	106.2	V69 I75	V69-C73 VanDerWaalsContact O-CA 3.26Å; V69-C73 WeakPolarHBondContact O-CA 3.27Å; V69-C73 WeakPolarHBondContact O-CB 3.31Å; V69-C73 PolarHBondContact O-N 3.41Å; V69-C73 PolarHBondContact O-SG 3.32Å; C73-I75 HydrophobicContact CB-CD1 4.09Å; C73-I75 HydrophobicContact CB-CG1 4Å; C73-I75 PolarHBondContact O-N 3.45Å
74	D	25.8	Very low	33.9	Very low	102 Å²	102	78.3 Å²	78.3	55%	0.545	44%	0.436	S	S	.	.			trans	-63.8	61.6	153.6	-151.7	-40.5	0	0	0	107.5	K72 Q76 K234	K72-D74 PolarHBondContact O-N 2.82Å; D74-Q76 PolarHBondContact O-N 3.25Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.32Å; D74-K234 PolarHBondContact O-NZ 3.22Å
75	I	27.3	Very low	33.3	Very low	83 Å²	83	79.8 Å²	79.8	43%	0.426	45%	0.451	S	S	.	.			trans	-69.6	81.5	152.6	-57.9	167.5	0	0	0	101.9	C73 R77 T195 T230	C73-I75 HydrophobicContact CB-CD1 4.09Å; C73-I75 HydrophobicContact CB-CG1 4Å; C73-I75 PolarHBondContact O-N 3.45Å; I75-R77 HydrophobicContact CG2-CG 4.42Å; I75-R77 PolarHBondContact O-N 2.99Å; I75-T195 HydrophobicContact CD1-CG2 4.06Å; I75-T230 HydrophobicContact CG1-CG2 4.34Å
76	Q	23.9	Very low	32.4	Very low	143 Å²	143	84.5 Å²	84.5	67%	0.668	48%	0.48	S	S	*	.			trans	-47.2	93.9	149.3	-67.3	-166.3	-19.7	0	0	106.2	D74 A78	D74-Q76 PolarHBondContact O-N 3.25Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.32Å; Q76-A78 VanDerWaalsContact C-N 3.3Å; Q76-A78 PolarHBondContact O-N 3.42Å
77	R	25.3	Very low	31.8	Very low	191 Å²	191	88.6 Å²	88.6	72%	0.721	50%	0.498	S	S	*	.			trans	-62	108.2	152.8	-80.7	-179	82.5	155.5	1	103.1	I75 D79 D80	I75-R77 HydrophobicContact CG2-CG 4.42Å; I75-R77 PolarHBondContact O-N 2.99Å; R77-D79 PolarHBondContact O-N 3.3Å; R77-D80 PolarHBondContact O-N 2.97Å
78	A	29.8	Very low	31.4	Very low	94 Å²	94	92.9 Å²	92.9	78%	0.777	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-9.1	-176.9	0	0	0	0	0	113.7	Q76	Q76-A78 VanDerWaalsContact C-N 3.3Å; Q76-A78 PolarHBondContact O-N 3.42Å
79	D	34.1	Very low	30.6	Very low	134 Å²	134	100 Å²	100	72%	0.717	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-8	-177.7	-90.2	-77.4	0	0	0	116.7	R77	R77-D79 PolarHBondContact O-N 3.3Å
80	D	28.9	Very low	29.9	Very low	79 Å²	79	110.3 Å²	110.3	42%	0.422	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-6.4	-178.9	-103	-70.1	0	0	0	114.6	R77 A82	R77-D80 PolarHBondContact O-N 2.97Å; D80-A82 PolarHBondContact O-N 2.88Å
81	A	30.1	Very low	29.5	Very low	94 Å²	94	107.1 Å²	107.1	78%	0.777	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-18.4	168.9	0	0	0	0	0	112.5
82	A	31.5	Very low	29.3	Very low	68 Å²	68	110.2 Å²	110.2	56%	0.562	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-21.8	-178.8	0	0	0	0	0	114	D80 S85	D80-A82 PolarHBondContact O-N 2.88Å; A82-S85 PolarHBondContact O-OG 3.33Å
83	A	30.9	Very low	28.9	Very low	56 Å²	56	116.2 Å²	116.2	46%	0.463	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.8	-31.1	-172.1	0	0	0	0	0	114.6	S85 V86	A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 2.72Å; A83-V86 PolarHBondContact O-N 3.22Å
84	Q	28.9	Very low	28.8	Very low	126 Å²	126	124.1 Å²	124.1	59%	0.589	68%	0.684	S	S	*	*	H	α-helix	trans	-76.8	-13.4	-176.5	-78.7	-179.4	17.9	0	0	114.7	V86 T88	Q84-V86 VanDerWaalsContact C-N 3.31Å; Q84-T88 PolarHBondContact O-OG1 2.68Å
85	S	31.6	Very low	28.8	Very low	83 Å²	83	124.3 Å²	124.3	58%	0.58	69%	0.693	S	S	*	*	H	α-helix	trans	-76.7	-14.7	174.6	50	0	0	0	0	113.5	A82 A83	A82-S85 PolarHBondContact O-OG 3.33Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 2.72Å
86	V	28.4	Very low	28.6	Very low	107 Å²	107	128.4 Å²	128.4	65%	0.648	72%	0.716	S	S	*	*	H	α-helix	trans	-106.7	-27.2	-169.8	-162.3	0	0	0	0	114.2	A83 Q84	A83-V86 PolarHBondContact O-N 3.22Å; Q84-V86 VanDerWaalsContact C-N 3.31Å
87	M	30.3	Very low	28.7	Very low	160 Å²	160	126.3 Å²	126.3	79%	0.788	72%	0.723	S	S	*	*	H	α-helix	trans	-94.9	-24.7	-175.2	-75.2	-158.4	171.6	0	0	115.9	L89 R90	M87-L89 VanDerWaalsContact C-N 3.25Å; M87-L89 PolarHBondContact O-N 2.93Å; M87-R90 PolarHBondContact O-N 3.24Å
88	T	36.2	Very low	28.7	Very low	109 Å²	109	126.4 Å²	126.4	67%	0.669	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-12.5	-175	-31.4	0	0	0	0	113.5	Q84	Q84-T88 PolarHBondContact O-OG1 2.68Å
89	L	27.5	Very low	28.3	Very low	162 Å²	162	128.7 Å²	128.7	85%	0.848	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-6.6	178.1	-76	170.5	0	0	0	114.7	M87	M87-L89 VanDerWaalsContact C-N 3.25Å; M87-L89 PolarHBondContact O-N 2.93Å
90	R	27.2	Very low	27.7	Very low	229 Å²	229	130.6 Å²	130.6	86%	0.864	73%	0.733	S	S	*	*	S	Bend	trans	-110.9	-12.5	-170.6	-141.5	173.5	-173	160.9	2.9	117.5	M87	M87-R90 PolarHBondContact O-N 3.24Å
91	S	29.8	Very low	27.5	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	75%	0.751	S	S	*	*	S	Bend	trans	-116.9	8.6	-170.5	-63.6	0	0	0	0	117
92	C	28.5	Very low	27.2	Very low	124 Å²	124	135.7 Å²	135.7	84%	0.838	75%	0.75	S	S	*	*	S	Bend	trans	-99.4	29.3	173	-61.4	0	0	0	0	113.4
93	M	23.9	Very low	27	Very low	169 Å²	169	138.1 Å²	138.1	83%	0.833	76%	0.762	S	S	*	*			trans	-122.8	93.6	163.9	-64.1	-150.4	87.2	0	0	108.6
94	Q	25.6	Very low	27.1	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.864	78%	0.78	S	S	*	*			trans	163.1	111.6	142.3	-89.9	170.2	16.1	0	0	112
95	S	24.2	Very low	26.9	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	79%	0.785	S	S	*	*			trans	93	120.1	133.5	-46	0	0	0	0	121
96	D	23.9	Very low	26.7	Very low	168 Å²	168	135.1 Å²	135.1	90%	0.898	77%	0.771	S	S	*	*			trans	-35.6	126.9	146.4	-65.2	-96.2	0	0	0	114.9
97	A	26.2	Very low	26.7	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	77%	0.765	S	S	*	*			trans	-171.8	123.4	141.1	0	0	0	0	0	110.4	N99	A97-N99 PolarHBondContact O-N 2.96Å
98	Q	24.8	Very low	26.5	Very low	193 Å²	193	134.4 Å²	134.4	90%	0.902	77%	0.769	S	S	*	*			trans	-68.3	116.4	168.1	-62.8	171	-32.3	0	0	110.7
99	N	21.4	Very low	26.2	Very low	143 Å²	143	136.8 Å²	136.8	77%	0.765	77%	0.77	S	S	*	*			trans	177.9	131	138.8	-124.4	-60.8	0	0	0	112.5	A97	A97-N99 PolarHBondContact O-N 2.96Å
100	F	22.4	Very low	26.2	Very low	173 Å²	173	132.8 Å²	132.8	76%	0.759	76%	0.755	S	S	*	*			trans	39.5	118.3	147.2	-93.4	-108	0	0	0	121.6
101	Q	24.9	Very low	26.5	Very low	170 Å²	170	125.4 Å²	125.4	79%	0.794	74%	0.735	S	S	*	*				59.7	79.8	127.8	-150.8	172.9	19.8	0	0	116.7
102	S	23.2	Very low	26.9	Very low	110 Å²	110	121.7 Å²	121.7	77%	0.769	71%	0.711	S	S	*	*			trans	-159.1	77.2	147.2	-87.4	0	0	0	0	110.5	A104	S102-A104 PolarHBondContact O-N 3.15Å; S102-A104 VanDerWaalsContact O-N 3.11Å
103	C	27.9	Very low	27.6	Very low	119 Å²	119	118.3 Å²	118.3	80%	0.804	69%	0.685	S	S	*	*			trans	-81.7	50.7	157.6	-66.6	0	0	0	0	109.9	A106	C103-A106 HydrophobicContact CB-CB 4.03Å
104	A	31.6	Very low	28.9	Very low	102 Å²	102	114 Å²	114	84%	0.843	67%	0.665	S	S	*	*	S	Bend	trans	-85.9	1.4	161.4	0	0	0	0	0	111.6	S102	S102-A104 PolarHBondContact O-N 3.15Å; S102-A104 VanDerWaalsContact O-N 3.11Å
105	G	24.4	Very low	30.1	Very low	68 Å²	68	107.4 Å²	107.4	70%	0.701	64%	0.638	S	S	*	*			trans	-129.5	10.7	177.6	0	0	0	0	0	113.7	S107	G105-S107 PolarHBondContact O-N 2.86Å
106	A	27.7	Very low	31.6	Very low	33 Å²	33	107.1 Å²	107.1	27%	0.273	63%	0.625	S	S	.	*	S	Bend	trans	-68	86.8	163.6	0	0	0	0	0	106.2	C103 M108 V111	C103-A106 HydrophobicContact CB-CB 4.03Å; A106-M108 PolarHBondContact O-N 3.06Å; A106-M108 VanDerWaalsContact O-N 3.13Å; A106-V111 HydrophobicContact CB-CG2 4.19Å
107	S	28.2	Very low	32.9	Very low	76 Å²	76	106.2 Å²	106.2	53%	0.531	61%	0.609	S	S	.	*			trans	-34.1	123	170.6	-177.3	0	0	0	0	107.8	G105 K109 S110	G105-S107 PolarHBondContact O-N 2.86Å; S107-K109 CarbonylContact O-C 3.5Å; S107-K109 WeakPolarHBondContact O-CA 3.28Å; S107-K109 PolarHBondContact O-N 3.38Å; S107-S110 PolarHBondContact O-N 3.03Å; S107-S110 PolarHBondContact O-OG 3.22Å
108	M	26.5	Very low	34.2	Very low	176 Å²	176	102.7 Å²	102.7	87%	0.867	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-9.7	-168.4	-62.5	-173	-71.7	0	0	114.2	A106 S110	A106-M108 PolarHBondContact O-N 3.06Å; A106-M108 VanDerWaalsContact O-N 3.13Å; M108-S110 VanDerWaalsContact C-N 3.32Å; M108-S110 PolarHBondContact O-N 2.98Å
109	K	31.1	Very low	35.8	Very low	159 Å²	159	95.4 Å²	95.4	69%	0.691	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.3	166.4	-62.1	-175.9	175	-173.9	0	115.6	S107	S107-K109 CarbonylContact O-C 3.5Å; S107-K109 WeakPolarHBondContact O-CA 3.28Å; S107-K109 PolarHBondContact O-N 3.38Å
110	S	26.5	Very low	37.5	Very low	78 Å²	78	92.9 Å²	92.9	55%	0.545	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-22.9	-170.2	51.6	0	0	0	0	114.7	S107 M108	S107-S110 PolarHBondContact O-N 3.03Å; S107-S110 PolarHBondContact O-OG 3.22Å; M108-S110 VanDerWaalsContact C-N 3.32Å; M108-S110 PolarHBondContact O-N 2.98Å
111	V	32.7	Very low	39.2	Very low	73 Å²	73	87.5 Å²	87.5	44%	0.442	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-25.2	175.2	-176.9	0	0	0	0	111.5	A106 L113	A106-V111 HydrophobicContact CB-CG2 4.19Å; V111-L113 PolarHBondContact O-N 2.9Å
112	A	39.2	Very low	40.8	Very low	30 Å²	30	79.4 Å²	79.4	25%	0.248	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15	-168.6	0	0	0	0	0	115.5
113	L	43.5	Very low	42.7	Very low	54 Å²	54	78.4 Å²	78.4	28%	0.283	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	53.8	-169.6	-67.5	162.1	0	0	0	111.8	V111 P115 M118 I165	V111-L113 PolarHBondContact O-N 2.9Å; L113-P115 VanDerWaalsContact O-CD 3.3Å; L113-P115 WeakPolarHBondContact O-CD 3.43Å; L113-M118 HydrophobicContact CB-CE 3.75Å; L113-M118 HydrophobicContact CD2-CE 3.99Å; L113-M118 HydrophobicContact CD2-SD 3.78Å; L113-M118 HydrophobicContact CG-CE 4.49Å; L113-M118 WeakPolarHBondContact O-CE 3.28Å; L113-I165 HydrophobicContact CB-CD1 4.22Å; L113-I165 HydrophobicContact CD1-CD1 4.02Å; L113-I165 HydrophobicContact CD1-CG2 3.53Å; L113-I165 HydrophobicContact CD2-CG2 3.6Å; L113-I165 HydrophobicContact CG-CG2 4.05Å
114	D	50.7	Low	44	Very low	77 Å²	77	75.5 Å²	75.5	41%	0.412	44%	0.439	S	S	.	.			trans	-62.9	115.5	169.8	-117.4	-54.8	0	0	0	110	E116 R117 M118	D114-E116 PolarHBondContact O-N 2.83Å; D114-R117 HydrophobicContact CB-CB 3.96Å; D114-R117 HydrophobicContact CB-CG 3.91Å; D114-R117 PolarHBondContact O-N 2.82Å; D114-R117 VanDerWaalsContact O-N 3.1Å; D114-M118 PolarHBondContact O-N 3.03Å
115	P	50.4	Low	45.1	Very low	47 Å²	47	72.2 Å²	72.2	31%	0.305	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-32.2	-175.7	23.9	-33.2	0	0	0	112.7	L113 M118 K119 L150	L113-P115 VanDerWaalsContact O-CD 3.3Å; L113-P115 WeakPolarHBondContact O-CD 3.43Å; P115-M118 PolarHBondContact O-N 2.93Å; P115-K119 VanDerWaalsContact O-CB 3.28Å; P115-K119 WeakPolarHBondContact O-CB 3.33Å; P115-K119 PolarHBondContact O-N 3.32Å; P115-L150 HydrophobicContact CB-CD2 4.08Å
116	E	55.7	Low	46.8	Very low	101 Å²	101	71.7 Å²	71.7	47%	0.472	39%	0.385	S	S	.	.	H	α-helix	trans	-69.9	-36.1	176.4	-70.8	-64.8	117.6	0	0	112.2	D114 T120	D114-E116 PolarHBondContact O-N 2.83Å; E116-T120 PolarHBondContact O-N 2.65Å; E116-T120 PolarHBondContact O-OG1 3.01Å
117	R	51.9	Low	48.3	Very low	150 Å²	150	76.2 Å²	76.2	57%	0.566	40%	0.399	S	S	*	.	H	α-helix	trans	-68	-46.2	173.1	-73.4	-174.8	175.9	-127.3	-0.3	110.8	D114 K119 T120 V121	D114-R117 HydrophobicContact CB-CB 3.96Å; D114-R117 HydrophobicContact CB-CG 3.91Å; D114-R117 PolarHBondContact O-N 2.82Å; D114-R117 VanDerWaalsContact O-N 3.1Å; R117-K119 VanDerWaalsContact C-N 3.3Å; R117-K119 PolarHBondContact O-N 3.25Å; R117-T120 WeakPolarHBondContact O-CB 3.42Å; R117-T120 PolarHBondContact O-N 2.97Å; R117-T120 VanDerWaalsContact O-N 3.13Å; R117-V121 WeakPolarHBondContact O-CG2 3.32Å; R117-V121 PolarHBondContact O-N 2.91Å
118	M	54.2	Low	49.3	Very low	24 Å²	24	79.1 Å²	79.1	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-58.7	-42.3	175.6	-74.4	-170.8	-84.8	0	0	111.8	L113 D114 P115 T120 V121 L122 L150	L113-M118 HydrophobicContact CB-CE 3.75Å; L113-M118 HydrophobicContact CD2-CE 3.99Å; L113-M118 HydrophobicContact CD2-SD 3.78Å; L113-M118 HydrophobicContact CG-CE 4.49Å; L113-M118 WeakPolarHBondContact O-CE 3.28Å; D114-M118 PolarHBondContact O-N 3.03Å; P115-M118 PolarHBondContact O-N 2.93Å; M118-T120 PolarHBondContact O-N 2.72Å; M118-V121 PolarHBondContact O-N 3.09Å; M118-L122 WeakPolarHBondContact O-CB 3.21Å; M118-L122 WeakPolarHBondContact O-CG 3.34Å; M118-L122 PolarHBondContact O-N 3.43Å; M118-L150 HydrophobicContact CB-CD1 3.73Å; M118-L150 HydrophobicContact CE-CD2 4.45Å
119	K	57.1	Low	50.5	Low	41 Å²	41	71.6 Å²	71.6	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-61	-43.5	174.7	-175	-178.9	179.6	-176.7	0	111.8	P115 R117 V121 L122 Q123 L147 L150	P115-K119 VanDerWaalsContact O-CB 3.28Å; P115-K119 WeakPolarHBondContact O-CB 3.33Å; P115-K119 PolarHBondContact O-N 3.32Å; R117-K119 VanDerWaalsContact C-N 3.3Å; R117-K119 PolarHBondContact O-N 3.25Å; K119-V121 PolarHBondContact O-N 3.48Å; K119-L122 PolarHBondContact O-N 3Å; K119-Q123 HydrophobicContact CG-CG 4.44Å; K119-Q123 WeakPolarHBondContact O-CB 3.5Å; K119-Q123 VanDerWaalsContact O-CG 3.3Å; K119-Q123 WeakPolarHBondContact O-CG 3.43Å; K119-Q123 PolarHBondContact O-N 3.49Å; K119-L147 HydrophobicContact CG-CD2 4.23Å; K119-L150 HydrophobicContact CB-CD1 4.23Å
120	T	58	Low	51.6	Low	90 Å²	90	70.8 Å²	70.8	55%	0.552	37%	0.365	S	S	*	.	H	α-helix	trans	-61.5	-44.3	177.5	-57	0	0	0	0	111.5	E116 R117 M118 Q123 S124	E116-T120 PolarHBondContact O-N 2.65Å; E116-T120 PolarHBondContact O-OG1 3.01Å; R117-T120 WeakPolarHBondContact O-CB 3.42Å; R117-T120 PolarHBondContact O-N 2.97Å; R117-T120 VanDerWaalsContact O-N 3.13Å; M118-T120 PolarHBondContact O-N 2.72Å; T120-Q123 PolarHBondContact O-N 3.35Å; T120-S124 WeakPolarHBondContact O-CB 3.22Å; T120-S124 PolarHBondContact O-N 3.2Å
121	V	57.1	Low	52.8	Low	59 Å²	59	74 Å²	74	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-48.8	176.1	174.8	0	0	0	0	110.5	R117 M118 K119 Q123 S124 M125	R117-V121 WeakPolarHBondContact O-CG2 3.32Å; R117-V121 PolarHBondContact O-N 2.91Å; M118-V121 PolarHBondContact O-N 3.09Å; K119-V121 PolarHBondContact O-N 3.48Å; V121-Q123 PolarHBondContact O-N 3.48Å; V121-S124 WeakPolarHBondContact O-CB 3.48Å; V121-S124 PolarHBondContact O-N 3.42Å; V121-S124 VanDerWaalsContact O-N 3.13Å; V121-S124 PolarHBondContact O-OG 3.43Å; V121-M125 HydrophobicContact CG1-SD 4.46Å; V121-M125 WeakPolarHBondContact O-CG 3.34Å; V121-M125 PolarHBondContact O-N 2.97Å
122	L	58.2	Low	53.3	Low	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63	-40.4	178.9	-75.2	165.2	0	0	0	113.1	M118 K119 S124 M125 Q126 V143 A146 L147 L150 L172	M118-L122 WeakPolarHBondContact O-CB 3.21Å; M118-L122 WeakPolarHBondContact O-CG 3.34Å; M118-L122 PolarHBondContact O-N 3.43Å; K119-L122 PolarHBondContact O-N 3Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.16Å; L122-M125 HydrophobicContact CD2-SD 4.48Å; L122-M125 WeakPolarHBondContact O-CB 3.42Å; L122-M125 PolarHBondContact O-N 3.13Å; L122-Q126 PolarHBondContact O-N 2.99Å; L122-V143 HydrophobicContact CD2-CG1 3.94Å; L122-A146 HydrophobicContact CD1-CB 3.79Å; L122-A146 HydrophobicContact CD2-CB 3.84Å; L122-L147 HydrophobicContact CB-CD1 4.38Å; L122-L147 HydrophobicContact CB-CD2 3.42Å; L122-L147 VanDerWaalsContact CB-CD2 3.42Å; L122-L147 HydrophobicContact CB-CG 3.73Å; L122-L147 HydrophobicContact CD1-CD2 4.15Å; L122-L147 HydrophobicContact CD1-CG 4.31Å; L122-L147 HydrophobicContact CG-CD2 4.42Å; L122-L150 HydrophobicContact CD1-CD1 3.49Å; L122-L150 VanDerWaalsContact CD1-CD1 3.49Å; L122-L172 HydrophobicContact CD2-CD1 4.07Å; L122-L172 HydrophobicContact CD2-CD2 3.35Å; L122-L172 HydrophobicContact CD2-CG 4.05Å; L122-L172 HydrophobicContact CG-CD2 4.48Å
123	Q	63.3	Low	53.1	Low	90 Å²	90	74.6 Å²	74.6	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-37.1	174.2	-76.3	-176.9	-9.3	0	0	111.7	K119 T120 V121 M125 Q126 K127 L147	K119-Q123 HydrophobicContact CG-CG 4.44Å; K119-Q123 WeakPolarHBondContact O-CB 3.5Å; K119-Q123 VanDerWaalsContact O-CG 3.3Å; K119-Q123 WeakPolarHBondContact O-CG 3.43Å; K119-Q123 PolarHBondContact O-N 3.49Å; T120-Q123 PolarHBondContact O-N 3.35Å; V121-Q123 PolarHBondContact O-N 3.48Å; Q123-M125 VanDerWaalsContact C-N 3.35Å; Q123-Q126 PolarHBondContact O-N 3.22Å; Q123-K127 WeakPolarHBondContact O-CB 3.08Å; Q123-K127 PolarHBondContact O-N 2.99Å; Q123-L147 HydrophobicContact CG-CD2 4Å
124	S	56.3	Low	52.9	Low	58 Å²	58	74.7 Å²	74.7	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-41	174.3	80.2	0	0	0	0	111.5	T120 V121 L122 K127 Q128	T120-S124 WeakPolarHBondContact O-CB 3.22Å; T120-S124 PolarHBondContact O-N 3.2Å; V121-S124 WeakPolarHBondContact O-CB 3.48Å; V121-S124 PolarHBondContact O-N 3.42Å; V121-S124 VanDerWaalsContact O-N 3.13Å; V121-S124 PolarHBondContact O-OG 3.43Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-S124 PolarHBondContact O-N 3.16Å; S124-K127 PolarHBondContact O-N 2.73Å; S124-Q128 WeakPolarHBondContact O-CG 3.39Å; S124-Q128 PolarHBondContact O-N 3.46Å
125	M	54.6	Low	52.3	Low	33 Å²	33	77.8 Å²	77.8	16%	0.163	43%	0.429	C	S	.	.	H	α-helix	trans	-62.6	-46.1	174.2	-65.9	177.4	75.8	0	0	111.3	V121 L122 Q123 K127 Q128 Q129 V143 L172 N175	V121-M125 HydrophobicContact CG1-SD 4.46Å; V121-M125 WeakPolarHBondContact O-CG 3.34Å; V121-M125 PolarHBondContact O-N 2.97Å; L122-M125 HydrophobicContact CD2-SD 4.48Å; L122-M125 WeakPolarHBondContact O-CB 3.42Å; L122-M125 PolarHBondContact O-N 3.13Å; Q123-M125 VanDerWaalsContact C-N 3.35Å; M125-K127 VanDerWaalsContact C-N 3.35Å; M125-K127 PolarHBondContact O-N 3.5Å; M125-Q128 PolarHBondContact O-N 3.24Å; M125-Q129 WeakPolarHBondContact O-CB 3.28Å; M125-Q129 VanDerWaalsContact O-CG 3.29Å; M125-Q129 WeakPolarHBondContact O-CG 3.35Å; M125-Q129 PolarHBondContact O-N 3.36Å; M125-V143 HydrophobicContact CB-CG1 4.29Å; M125-V143 HydrophobicContact CE-CG2 4.15Å; M125-L172 HydrophobicContact CE-CD2 4.12Å; M125-L172 HydrophobicContact SD-CD2 3.83Å; M125-N175 HydrophobicContact CE-CB 4.28Å
126	Q	59.4	Low	51.6	Low	56 Å²	56	79.1 Å²	79.1	26%	0.262	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-41.5	177.4	-164.6	-171.3	34.5	0	0	111.7	L122 Q123 Q129 Q130 V143 L147	L122-Q126 PolarHBondContact O-N 2.99Å; Q123-Q126 PolarHBondContact O-N 3.22Å; Q126-Q129 WeakPolarHBondContact O-CB 3.26Å; Q126-Q129 PolarHBondContact O-N 3.3Å; Q126-Q130 WeakPolarHBondContact O-CG 3.29Å; Q126-Q130 PolarHBondContact O-N 3.49Å; Q126-V143 HydrophobicContact CB-CG1 4.42Å; Q126-L147 HydrophobicContact CB-CD1 4.37Å
127	K	58.5	Low	50.9	Low	128 Å²	128	76 Å²	76	56%	0.557	44%	0.443	S	S	*	.	H	α-helix	trans	-66.2	-40.1	178.3	-172.5	177.8	178.5	-177.7	0	111.9	Q123 S124 M125 Q129 Q130 Q131	Q123-K127 WeakPolarHBondContact O-CB 3.08Å; Q123-K127 PolarHBondContact O-N 2.99Å; S124-K127 PolarHBondContact O-N 2.73Å; M125-K127 VanDerWaalsContact C-N 3.35Å; M125-K127 PolarHBondContact O-N 3.5Å; K127-Q129 VanDerWaalsContact C-N 3.35Å; K127-Q130 PolarHBondContact O-N 3.46Å; K127-Q131 VanDerWaalsContact CE-NE2 3.34Å; K127-Q131 WeakPolarHBondContact O-CG 3.48Å; K127-Q131 PolarHBondContact O-N 3.02Å
128	Q	49.8	Very low	50.7	Low	138 Å²	138	70 Å²	70	65%	0.645	43%	0.428	S	S	*	.	H	α-helix	trans	-65.4	-37.9	173.9	-76.4	-178.9	-33.1	0	0	111.9	S124 M125 Q130 Q131 G132	S124-Q128 WeakPolarHBondContact O-CG 3.39Å; S124-Q128 PolarHBondContact O-N 3.46Å; M125-Q128 PolarHBondContact O-N 3.24Å; Q128-Q130 VanDerWaalsContact C-N 3.3Å; Q128-Q130 PolarHBondContact O-N 3.28Å; Q128-Q131 PolarHBondContact O-N 3.04Å; Q128-G132 PolarHBondContact O-N 2.88Å
129	Q	52.5	Low	50.6	Low	17 Å²	17	72.5 Å²	72.5	8%	0.079	44%	0.441	C	S	.	.	H	α-helix	trans	-65.6	-29.4	173.7	-75.7	177	-13.7	0	0	114	M125 Q126 K127 A137 G138	M125-Q129 WeakPolarHBondContact O-CB 3.28Å; M125-Q129 VanDerWaalsContact O-CG 3.29Å; M125-Q129 WeakPolarHBondContact O-CG 3.35Å; M125-Q129 PolarHBondContact O-N 3.36Å; Q126-Q129 WeakPolarHBondContact O-CB 3.26Å; Q126-Q129 PolarHBondContact O-N 3.3Å; K127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-A137 HydrophobicContact CG-CB 3.76Å; Q129-G138 PolarHBondContact NE2-O 2.97Å
130	Q	53	Low	50.5	Low	142 Å²	142	75.5 Å²	75.5	66%	0.664	45%	0.454	S	S	*	.	H	α-helix	trans	-80.4	-31	175.8	-71.9	176.2	26.6	0	0	112.3	Q126 K127 Q128	Q126-Q130 WeakPolarHBondContact O-CG 3.29Å; Q126-Q130 PolarHBondContact O-N 3.49Å; K127-Q130 PolarHBondContact O-N 3.46Å; Q128-Q130 VanDerWaalsContact C-N 3.3Å; Q128-Q130 PolarHBondContact O-N 3.28Å
131	Q	51.7	Low	50.7	Low	146 Å²	146	76.7 Å²	76.7	68%	0.682	45%	0.454	S	S	*	.	H	α-helix	trans	-85.4	-35	179.5	-69.6	-177.6	9.4	0	0	112.9	K127 Q128	K127-Q131 VanDerWaalsContact CE-NE2 3.34Å; K127-Q131 WeakPolarHBondContact O-CG 3.48Å; K127-Q131 PolarHBondContact O-N 3.02Å; Q128-Q131 PolarHBondContact O-N 3.04Å
132	G	43.1	Very low	51	Low	35 Å²	35	74.1 Å²	74.1	36%	0.361	44%	0.44	S	S	.	.	S	Bend	trans	-101.1	102.5	173.1	0	0	0	0	0	109.8	Q128 A134	Q128-G132 PolarHBondContact O-N 2.88Å; G132-A134 PolarHBondContact O-N 3.47Å
133	G	35.6	Very low	51.2	Low	81 Å²	81	74.1 Å²	74.1	84%	0.835	44%	0.44	S	S	*	.			trans	-66.7	37.8	172.3	0	0	0	0	0	114.2	P135	G133-P135 WeakPolarHBondContact O-CD 3.46Å
134	A	39.5	Very low	51.3	Low	56 Å²	56	74.2 Å²	74.2	46%	0.463	44%	0.44	S	S	.	.			trans	-82.7	117.2	-179.8	0	0	0	0	0	110	G132 G136 A137	G132-A134 PolarHBondContact O-N 3.47Å; A134-G136 PolarHBondContact O-N 3.44Å; A134-G136 VanDerWaalsContact O-N 3.08Å; A134-A137 WeakPolarHBondContact O-CB 3.44Å; A134-A137 PolarHBondContact O-N 2.82Å; A134-A137 VanDerWaalsContact O-N 3.15Å
135	P	38.3	Very low	51.8	Low	141 Å²	141	76.1 Å²	76.1	92%	0.916	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	6.5	178.8	28	-32.9	0	0	0	114.6	G133	G133-P135 WeakPolarHBondContact O-CD 3.46Å
136	G	34.9	Very low	52.3	Low	75 Å²	75	74.5 Å²	74.5	77%	0.773	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	3.3	170.1	0	0	0	0	0	113.7	A134 G138	A134-G136 PolarHBondContact O-N 3.44Å; A134-G136 VanDerWaalsContact O-N 3.08Å; G136-G138 PolarHBondContact O-N 3.45Å
137	A	41	Very low	52.7	Low	36 Å²	36	72.3 Å²	72.3	30%	0.298	42%	0.423	S	S	.	.	S	Bend	trans	-71.1	118.8	178.2	0	0	0	0	0	108.9	Q129 A134	Q129-A137 HydrophobicContact CG-CB 3.76Å; A134-A137 WeakPolarHBondContact O-CB 3.44Å; A134-A137 PolarHBondContact O-N 2.82Å; A134-A137 VanDerWaalsContact O-N 3.15Å
138	G	47.5	Very low	53.4	Low	25 Å²	25	72.9 Å²	72.9	26%	0.258	43%	0.426	S	S	.	.			trans	-35.6	150.4	-174.1	0	0	0	0	0	116.2	Q129 G136 K140 N175	Q129-G138 PolarHBondContact NE2-O 2.97Å; G136-G138 PolarHBondContact O-N 3.45Å; G138-K140 PolarHBondContact O-N 2.91Å; G138-N175 WeakPolarHBondContact CA-OD1 3.44Å
139	D	52.9	Low	54.2	Low	75 Å²	75	67.7 Å²	67.7	40%	0.401	40%	0.403	S	S	.	.			trans	-26.3	90.7	-174.8	-155.9	-49.5	0	0	0	112.4	E141 G142 V143 N175	D139-E141 PolarHBondContact O-N 3.22Å; D139-E141 VanDerWaalsContact OD1-CB 3.23Å; D139-E141 WeakPolarHBondContact OD1-CB 3.46Å; D139-E141 PolarHBondContact OD1-N 3.26Å; D139-G142 WeakPolarHBondContact O-CA 3.18Å; D139-G142 PolarHBondContact O-N 3.27Å; D139-G142 PolarHBondContact OD1-N 2.96Å; D139-V143 PolarHBondContact O-N 2.93Å; D139-N175 PolarHBondContact N-OD1 2.85Å
140	K	55.3	Low	54.6	Low	104 Å²	104	67.1 Å²	67.1	45%	0.452	40%	0.401	S	S	.	.	H	α-helix	trans	-55.7	-37.7	-178.6	-69.4	-171.9	175.8	-175.9	0	109.3	G138 V143 E144	G138-K140 PolarHBondContact O-N 2.91Å; K140-V143 PolarHBondContact O-N 2.71Å; K140-E144 WeakPolarHBondContact O-CB 3.24Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.46Å; K140-E144 PolarHBondContact O-N 3.26Å
141	E	62.1	Low	55.5	Low	115 Å²	115	64 Å²	64	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-40.4	176.2	-160	-175.8	100.2	0	0	111.4	D139 E144 K145	D139-E141 PolarHBondContact O-N 3.22Å; D139-E141 VanDerWaalsContact OD1-CB 3.23Å; D139-E141 WeakPolarHBondContact OD1-CB 3.46Å; D139-E141 PolarHBondContact OD1-N 3.26Å; E141-E144 PolarHBondContact O-N 2.8Å; E141-K145 HydrophobicContact CG-CD 4.21Å; E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.29Å; E141-K145 PolarHBondContact O-N 3.46Å; E141-K145 WeakPolarHBondContact OE1-CE 3.21Å; E141-K145 IonicContact OE1-NZ 2.71Å; E141-K145 PolarHBondContact OE1-NZ 3.45Å
142	G	63.9	Low	56.3	Low	6 Å²	6	59.1 Å²	59.1	6%	0.062	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-45.2	173.4	0	0	0	0	0	113.7	D139 K145 A146	D139-G142 WeakPolarHBondContact O-CA 3.18Å; D139-G142 PolarHBondContact O-N 3.27Å; D139-G142 PolarHBondContact OD1-N 2.96Å; G142-K145 PolarHBondContact O-N 2.76Å; G142-A146 WeakPolarHBondContact O-CB 3.11Å; G142-A146 PolarHBondContact O-N 2.7Å
143	V	61.2	Low	57	Low	0 Å²	0	57.5 Å²	57.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.3	-43.6	176.1	177.5	0	0	0	0	110.9	L122 M125 Q126 D139 K140 A146 L147	L122-V143 HydrophobicContact CD2-CG1 3.94Å; M125-V143 HydrophobicContact CB-CG1 4.29Å; M125-V143 HydrophobicContact CE-CG2 4.15Å; Q126-V143 HydrophobicContact CB-CG1 4.42Å; D139-V143 PolarHBondContact O-N 2.93Å; K140-V143 PolarHBondContact O-N 2.71Å; V143-A146 PolarHBondContact O-N 2.9Å; V143-L147 HydrophobicContact CG1-CD1 4.4Å; V143-L147 WeakPolarHBondContact O-CG 3.13Å; V143-L147 PolarHBondContact O-N 3.47Å
144	E	66.5	Low	58.2	Low	91 Å²	91	56.3 Å²	56.3	43%	0.425	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-40	176.3	-75.1	-174.5	94.6	0	0	112.6	K140 E141 L147 K148	K140-E144 WeakPolarHBondContact O-CB 3.24Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.46Å; K140-E144 PolarHBondContact O-N 3.26Å; E141-E144 PolarHBondContact O-N 2.8Å; E144-L147 PolarHBondContact O-N 2.75Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 3.48Å
145	K	66.9	Low	59.6	Low	98 Å²	98	61.6 Å²	61.6	43%	0.426	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-45.1	174.5	-79.4	169.9	173.7	169.9	0	111.1	E141 G142 L147 K148 V149 M171	E141-K145 HydrophobicContact CG-CD 4.21Å; E141-K145 WeakPolarHBondContact O-CB 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.29Å; E141-K145 PolarHBondContact O-N 3.46Å; E141-K145 WeakPolarHBondContact OE1-CE 3.21Å; E141-K145 IonicContact OE1-NZ 2.71Å; E141-K145 PolarHBondContact OE1-NZ 3.45Å; G142-K145 PolarHBondContact O-N 2.76Å; K145-L147 VanDerWaalsContact C-N 3.33Å; K145-L147 PolarHBondContact O-N 2.71Å; K145-K148 PolarHBondContact O-N 2.69Å; K145-V149 WeakPolarHBondContact O-CG2 2.92Å; K145-V149 PolarHBondContact O-N 3.31Å; K145-M171 HydrophobicContact CB-CE 4.29Å; K145-M171 HydrophobicContact CB-SD 3.61Å; K145-M171 HydrophobicContact CD-SD 4.35Å
146	A	65.4	Low	61.1	Low	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-43.3	176	0	0	0	0	0	112	L122 G142 V143 V149 L150 I168 M171	L122-A146 HydrophobicContact CD1-CB 3.79Å; L122-A146 HydrophobicContact CD2-CB 3.84Å; G142-A146 WeakPolarHBondContact O-CB 3.11Å; G142-A146 PolarHBondContact O-N 2.7Å; V143-A146 PolarHBondContact O-N 2.9Å; A146-V149 PolarHBondContact O-N 2.77Å; A146-L150 PolarHBondContact O-N 3.38Å; A146-L150 VanDerWaalsContact O-N 3.13Å; A146-I168 HydrophobicContact CB-CB 4.47Å; A146-I168 HydrophobicContact CB-CG1 4.18Å; A146-I168 HydrophobicContact CB-CG2 4.05Å; A146-M171 HydrophobicContact CB-CE 4.03Å
147	L	67.7	Low	62.4	Low	10 Å²	10	67.2 Å²	67.2	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-45.5	174	-78.6	171.1	0	0	0	111.9	K119 L122 Q123 Q126 V143 E144 K145 V149 L150 E151	K119-L147 HydrophobicContact CG-CD2 4.23Å; L122-L147 HydrophobicContact CB-CD1 4.38Å; L122-L147 HydrophobicContact CB-CD2 3.42Å; L122-L147 VanDerWaalsContact CB-CD2 3.42Å; L122-L147 HydrophobicContact CB-CG 3.73Å; L122-L147 HydrophobicContact CD1-CD2 4.15Å; L122-L147 HydrophobicContact CD1-CG 4.31Å; L122-L147 HydrophobicContact CG-CD2 4.42Å; Q123-L147 HydrophobicContact CG-CD2 4Å; Q126-L147 HydrophobicContact CB-CD1 4.37Å; V143-L147 HydrophobicContact CG1-CD1 4.4Å; V143-L147 WeakPolarHBondContact O-CG 3.13Å; V143-L147 PolarHBondContact O-N 3.47Å; E144-L147 PolarHBondContact O-N 2.75Å; K145-L147 VanDerWaalsContact C-N 3.33Å; K145-L147 PolarHBondContact O-N 2.71Å; L147-V149 VanDerWaalsContact C-N 3.32Å; L147-V149 PolarHBondContact O-N 2.79Å; L147-L150 PolarHBondContact O-N 2.89Å; L147-E151 WeakPolarHBondContact O-CB 3.26Å; L147-E151 WeakPolarHBondContact O-CG 3.4Å; L147-E151 PolarHBondContact O-N 3.31Å
148	K	72.7	Confident	63.1	Low	140 Å²	140	71 Å²	71	61%	0.609	34%	0.343	S	S	*	.	H	α-helix	trans	-60.5	-39.3	177.9	-78	178.1	-178.4	172.1	0	112.9	E144 K145 E151 A152	E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 3.48Å; K145-K148 PolarHBondContact O-N 2.69Å; K148-E151 PolarHBondContact O-N 3.02Å; K148-A152 VanDerWaalsContact O-CB 3.3Å; K148-A152 WeakPolarHBondContact O-CB 3.27Å; K148-A152 PolarHBondContact O-N 3.13Å
149	V	65.7	Low	63	Low	29 Å²	29	73.4 Å²	73.4	18%	0.176	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-45.4	177	175.6	0	0	0	0	110.6	K145 A146 L147 A152 A153 E164 I168	K145-V149 WeakPolarHBondContact O-CG2 2.92Å; K145-V149 PolarHBondContact O-N 3.31Å; A146-V149 PolarHBondContact O-N 2.77Å; L147-V149 VanDerWaalsContact C-N 3.32Å; L147-V149 PolarHBondContact O-N 2.79Å; V149-A152 PolarHBondContact O-N 3.12Å; V149-A153 PolarHBondContact O-N 3.46Å; V149-A153 VanDerWaalsContact O-N 3.09Å; V149-E164 HydrophobicContact CG1-CB 3.85Å; V149-E164 HydrophobicContact CG1-CG 4.25Å; V149-I168 HydrophobicContact CB-CD1 4.13Å; V149-I168 HydrophobicContact CB-CG1 4.23Å; V149-I168 HydrophobicContact CG1-CD1 3.77Å; V149-I168 HydrophobicContact CG1-CG1 4.17Å
150	L	62.1	Low	62.6	Low	5 Å²	5	70.8 Å²	70.8	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-39.8	176.5	-69.3	177.1	0	0	0	112.8	P115 M118 K119 L122 A146 L147 A152 A153 S154 T160 I168	P115-L150 HydrophobicContact CB-CD2 4.08Å; M118-L150 HydrophobicContact CB-CD1 3.73Å; M118-L150 HydrophobicContact CE-CD2 4.45Å; K119-L150 HydrophobicContact CB-CD1 4.23Å; L122-L150 HydrophobicContact CD1-CD1 3.49Å; L122-L150 VanDerWaalsContact CD1-CD1 3.49Å; A146-L150 PolarHBondContact O-N 3.38Å; A146-L150 VanDerWaalsContact O-N 3.13Å; L147-L150 PolarHBondContact O-N 2.89Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A153 PolarHBondContact O-N 3.46Å; L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.39Å; L150-T160 HydrophobicContact CD2-CG2 4.27Å; L150-I168 HydrophobicContact CD1-CD1 4.49Å; L150-I168 HydrophobicContact CD2-CD1 3.59Å; L150-I168 HydrophobicContact CG-CD1 3.69Å
151	E	71.4	Confident	62.3	Low	76 Å²	76	69.1 Å²	69.1	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-35.6	176.3	-74.7	-170.2	117.5	0	0	112.3	L147 K148 K155	L147-E151 WeakPolarHBondContact O-CB 3.26Å; L147-E151 WeakPolarHBondContact O-CG 3.4Å; L147-E151 PolarHBondContact O-N 3.31Å; K148-E151 PolarHBondContact O-N 3.02Å; E151-K155 WeakPolarHBondContact O-CB 3.32Å; E151-K155 VanDerWaalsContact O-CG 3.27Å; E151-K155 WeakPolarHBondContact O-CG 3.05Å; E151-K155 PolarHBondContact O-N 2.9Å
152	A	69.5	Low	61.4	Low	43 Å²	43	69.6 Å²	69.6	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-51.4	173.3	0	0	0	0	0	110.7	K148 V149 L150 S154 K155 E156	K148-A152 VanDerWaalsContact O-CB 3.3Å; K148-A152 WeakPolarHBondContact O-CB 3.27Å; K148-A152 PolarHBondContact O-N 3.13Å; V149-A152 PolarHBondContact O-N 3.12Å; L150-A152 VanDerWaalsContact C-N 3.34Å; A152-S154 VanDerWaalsContact C-N 3.3Å; A152-S154 PolarHBondContact O-N 3.27Å; A152-K155 PolarHBondContact O-N 3.44Å; A152-E156 WeakPolarHBondContact O-CG 3.47Å; A152-E156 PolarHBondContact O-N 3.17Å
153	A	56.2	Low	60.7	Low	2 Å²	2	74.6 Å²	74.6	2%	0.017	37%	0.373	C	S	.	.	H	α-helix	trans	-58.4	-41.9	176.9	0	0	0	0	0	112.4	V149 L150 E156 K157 R158	V149-A153 PolarHBondContact O-N 3.46Å; V149-A153 VanDerWaalsContact O-N 3.09Å; L150-A153 PolarHBondContact O-N 3.46Å; A153-E156 PolarHBondContact O-N 2.88Å; A153-K157 PolarHBondContact O-N 2.85Å; A153-K157 VanDerWaalsContact O-N 3.14Å; A153-R158 PolarHBondContact O-N 3.41Å
154	S	60.9	Low	60.1	Low	55 Å²	55	76.9 Å²	76.9	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-64.6	-44.2	177.3	-175.6	0	0	0	0	112.4	L150 A152 E156 K157	L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.44Å; L150-S154 PolarHBondContact O-N 3.39Å; A152-S154 VanDerWaalsContact C-N 3.3Å; A152-S154 PolarHBondContact O-N 3.27Å; S154-E156 VanDerWaalsContact C-N 3.32Å; S154-E156 PolarHBondContact O-N 3.24Å; S154-K157 PolarHBondContact O-N 3.16Å; S154-K157 VanDerWaalsContact O-N 3.08Å
155	K	69.3	Low	59.3	Low	168 Å²	168	73.5 Å²	73.5	73%	0.73	37%	0.368	S	S	*	.	H	α-helix	trans	-63.5	-37.5	176	-77.9	174.6	-177.6	174.4	0	112.3	E151 A152 K157	E151-K155 WeakPolarHBondContact O-CB 3.32Å; E151-K155 VanDerWaalsContact O-CG 3.27Å; E151-K155 WeakPolarHBondContact O-CG 3.05Å; E151-K155 PolarHBondContact O-N 2.9Å; A152-K155 PolarHBondContact O-N 3.44Å; K155-K157 PolarHBondContact O-N 2.93Å
156	E	69.6	Low	58.5	Low	133 Å²	133	72.2 Å²	72.2	62%	0.621	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-5.1	176.4	-67.9	-178.2	161.8	0	0	113	A152 A153 S154 R158	A152-E156 WeakPolarHBondContact O-CG 3.47Å; A152-E156 PolarHBondContact O-N 3.17Å; A153-E156 PolarHBondContact O-N 2.88Å; S154-E156 VanDerWaalsContact C-N 3.32Å; S154-E156 PolarHBondContact O-N 3.24Å; E156-R158 HydrophobicContact CB-CB 4.13Å; E156-R158 PolarHBondContact O-N 3.44Å; E156-R158 VanDerWaalsContact O-N 3.15Å
157	K	62.2	Low	58	Low	200 Å²	200	77.3 Å²	77.3	87%	0.87	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	32.7	-171.8	-59	-178.7	179.8	-179.8	0	112.1	A153 S154 K155	A153-K157 PolarHBondContact O-N 2.85Å; A153-K157 VanDerWaalsContact O-N 3.14Å; S154-K157 PolarHBondContact O-N 3.16Å; S154-K157 VanDerWaalsContact O-N 3.08Å; K155-K157 PolarHBondContact O-N 2.93Å
158	R	55.4	Low	57.4	Low	116 Å²	116	76.8 Å²	76.8	44%	0.438	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-103.2	146.3	-178.8	-159.1	-174.5	95.7	77.7	3.9	109.2	A153 E156 E164	A153-R158 PolarHBondContact O-N 3.41Å; E156-R158 HydrophobicContact CB-CB 4.13Å; E156-R158 PolarHBondContact O-N 3.44Å; E156-R158 VanDerWaalsContact O-N 3.15Å; R158-E164 IonicContact NH2-OE2 3.19Å; R158-E164 PolarHBondContact NH2-OE2 2.62Å
159	A	46.5	Very low	56.6	Low	76 Å²	76	71 Å²	71	63%	0.628	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-64.4	136.7	164.4	0	0	0	0	0	109.6	N161	A159-N161 PolarHBondContact O-N 3.12Å
160	T	43.6	Very low	56	Low	19 Å²	19	73.8 Å²	73.8	12%	0.117	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-61.6	131.2	175	-38.9	0	0	0	0	109.2	L150 E164 I165 I168	L150-T160 HydrophobicContact CD2-CG2 4.27Å; T160-E164 HydrophobicContact CG2-CB 3.69Å; T160-I165 HydrophobicContact CG2-CD1 4.39Å; T160-I165 HydrophobicContact CG2-CG1 3.63Å; T160-I168 HydrophobicContact CG2-CD1 4.39Å
161	N	49.7	Very low	55.8	Low	70 Å²	70	74.9 Å²	74.9	37%	0.374	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-69.2	159.7	177.9	-147.2	-13.2	0	0	0	111	A159 D163 E164 I165	A159-N161 PolarHBondContact O-N 3.12Å; N161-D163 VanDerWaalsContact C-N 3.27Å; N161-D163 PolarHBondContact O-N 2.88Å; N161-E164 HydrophobicContact CB-CB 4.38Å; N161-E164 HydrophobicContact CB-CG 4.08Å; N161-E164 WeakPolarHBondContact CB-OE2 3.13Å; N161-E164 PolarHBondContact N-OE2 3.4Å; N161-E164 PolarHBondContact O-N 2.81Å; N161-E164 VanDerWaalsContact O-N 3.17Å; N161-I165 VanDerWaalsContact O-CG1 3.27Å; N161-I165 WeakPolarHBondContact O-CG1 3.45Å; N161-I165 PolarHBondContact O-N 3.48Å
162	I	43.6	Very low	55	Low	125 Å²	125	71.9 Å²	71.9	64%	0.641	36%	0.362	S	S	*	.	H	α-helix	trans	-56.1	-43.7	171.3	-63	172.5	0	0	0	110.7	E164 I165 E166	I162-E164 PolarHBondContact O-N 3.45Å; I162-I165 PolarHBondContact O-N 2.87Å; I162-E166 PolarHBondContact O-N 2.97Å
163	D	48.5	Very low	54.2	Low	110 Å²	110	70.3 Å²	70.3	59%	0.588	35%	0.347	S	S	*	.	H	α-helix	trans	-62	-40.5	178	-61.3	-73.5	0	0	0	113.1	N161 E166 Q167	N161-D163 VanDerWaalsContact C-N 3.27Å; N161-D163 PolarHBondContact O-N 2.88Å; D163-E166 PolarHBondContact O-N 3.26Å; D163-Q167 WeakPolarHBondContact O-CB 3.45Å; D163-Q167 PolarHBondContact O-N 3.39Å
164	E	49.2	Very low	53.9	Low	49 Å²	49	76.2 Å²	76.2	23%	0.229	37%	0.374	C	S	.	.	H	α-helix	trans	-68.1	-41.3	179.2	-67.3	176.3	119.1	0	0	110.4	V149 R158 T160 N161 I162 Q167 I168	V149-E164 HydrophobicContact CG1-CB 3.85Å; V149-E164 HydrophobicContact CG1-CG 4.25Å; R158-E164 IonicContact NH2-OE2 3.19Å; R158-E164 PolarHBondContact NH2-OE2 2.62Å; T160-E164 HydrophobicContact CG2-CB 3.69Å; N161-E164 HydrophobicContact CB-CB 4.38Å; N161-E164 HydrophobicContact CB-CG 4.08Å; N161-E164 WeakPolarHBondContact CB-OE2 3.13Å; N161-E164 PolarHBondContact N-OE2 3.4Å; N161-E164 PolarHBondContact O-N 2.81Å; N161-E164 VanDerWaalsContact O-N 3.17Å; I162-E164 PolarHBondContact O-N 3.45Å; E164-Q167 PolarHBondContact O-N 2.95Å; E164-I168 WeakPolarHBondContact O-CD1 3.36Å; E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.33Å; E164-I168 PolarHBondContact O-N 3.48Å
165	I	50	Low	53.5	Low	19 Å²	19	74.9 Å²	74.9	10%	0.097	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-43.8	175.7	-62.6	166.9	0	0	0	110.8	L113 T160 N161 I162 Q167 I168 L169	L113-I165 HydrophobicContact CB-CD1 4.22Å; L113-I165 HydrophobicContact CD1-CD1 4.02Å; L113-I165 HydrophobicContact CD1-CG2 3.53Å; L113-I165 HydrophobicContact CD2-CG2 3.6Å; L113-I165 HydrophobicContact CG-CG2 4.05Å; T160-I165 HydrophobicContact CG2-CD1 4.39Å; T160-I165 HydrophobicContact CG2-CG1 3.63Å; N161-I165 VanDerWaalsContact O-CG1 3.27Å; N161-I165 WeakPolarHBondContact O-CG1 3.45Å; N161-I165 PolarHBondContact O-N 3.48Å; I162-I165 PolarHBondContact O-N 2.87Å; I165-Q167 PolarHBondContact O-N 3.35Å; I165-I168 PolarHBondContact O-N 2.95Å; I165-L169 HydrophobicContact CG2-CD1 3.81Å; I165-L169 HydrophobicContact CG2-CG 4.1Å; I165-L169 WeakPolarHBondContact O-CB 3.31Å; I165-L169 VanDerWaalsContact O-CG 3.22Å; I165-L169 WeakPolarHBondContact O-CG 3.45Å; I165-L169 PolarHBondContact O-N 3.45Å
166	E	48.8	Very low	53	Low	72 Å²	72	67.3 Å²	67.3	34%	0.336	33%	0.331	S	S	.	.	H	α-helix	trans	-56.7	-40.9	173.5	-85.2	-150	157.1	0	0	112	I162 D163 L169 K170	I162-E166 PolarHBondContact O-N 2.97Å; D163-E166 PolarHBondContact O-N 3.26Å; E166-L169 PolarHBondContact O-N 3.24Å; E166-K170 WeakPolarHBondContact O-CB 3.34Å; E166-K170 VanDerWaalsContact O-CG 3.3Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.33Å; E166-K170 IonicContact OE2-NZ 3.02Å; E166-K170 PolarHBondContact OE2-NZ 3.35Å
167	Q	54.6	Low	52.4	Low	106 Å²	106	62.9 Å²	62.9	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-44.5	179.2	-161.5	179.9	24	0	0	110.8	D163 E164 I165 L169 K170 M171	D163-Q167 WeakPolarHBondContact O-CB 3.45Å; D163-Q167 PolarHBondContact O-N 3.39Å; E164-Q167 PolarHBondContact O-N 2.95Å; I165-Q167 PolarHBondContact O-N 3.35Å; Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 2.9Å; Q167-K170 PolarHBondContact O-N 3.29Å; Q167-M171 HydrophobicContact CG-CE 4.07Å; Q167-M171 WeakPolarHBondContact O-CB 3.42Å; Q167-M171 WeakPolarHBondContact O-CE 3.44Å; Q167-M171 VanDerWaalsContact O-CG 3.26Å; Q167-M171 WeakPolarHBondContact O-CG 3.19Å; Q167-M171 PolarHBondContact O-N 2.84Å
168	I	56.3	Low	52.2	Low	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-47.3	173	-70.4	160.5	0	0	0	110.4	A146 V149 L150 T160 E164 I165 M171 L172	A146-I168 HydrophobicContact CB-CB 4.47Å; A146-I168 HydrophobicContact CB-CG1 4.18Å; A146-I168 HydrophobicContact CB-CG2 4.05Å; V149-I168 HydrophobicContact CB-CD1 4.13Å; V149-I168 HydrophobicContact CB-CG1 4.23Å; V149-I168 HydrophobicContact CG1-CD1 3.77Å; V149-I168 HydrophobicContact CG1-CG1 4.17Å; L150-I168 HydrophobicContact CD1-CD1 4.49Å; L150-I168 HydrophobicContact CD2-CD1 3.59Å; L150-I168 HydrophobicContact CG-CD1 3.69Å; T160-I168 HydrophobicContact CG2-CD1 4.39Å; E164-I168 WeakPolarHBondContact O-CD1 3.36Å; E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.33Å; E164-I168 PolarHBondContact O-N 3.48Å; I165-I168 PolarHBondContact O-N 2.95Å; I168-M171 HydrophobicContact CG1-CE 4.23Å; I168-M171 PolarHBondContact O-N 3.35Å; I168-L172 HydrophobicContact CG2-CD1 3.81Å; I168-L172 HydrophobicContact CG2-CG 4.42Å; I168-L172 WeakPolarHBondContact O-CB 3.32Å; I168-L172 WeakPolarHBondContact O-CG 3.29Å; I168-L172 PolarHBondContact O-N 3.43Å
169	L	54.6	Low	52.7	Low	17 Å²	17	50.2 Å²	50.2	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-41.6	178.2	-69.7	172.7	0	0	0	111.8	L64 I165 E166 Q167 M171 L172 E173	L64-L169 HydrophobicContact CD2-CD2 3.56Å; L64-L169 HydrophobicContact CG-CD2 4.07Å; I165-L169 HydrophobicContact CG2-CD1 3.81Å; I165-L169 HydrophobicContact CG2-CG 4.1Å; I165-L169 WeakPolarHBondContact O-CB 3.31Å; I165-L169 VanDerWaalsContact O-CG 3.22Å; I165-L169 WeakPolarHBondContact O-CG 3.45Å; I165-L169 PolarHBondContact O-N 3.45Å; E166-L169 PolarHBondContact O-N 3.24Å; Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 2.9Å; L169-M171 VanDerWaalsContact C-N 3.34Å; L169-M171 PolarHBondContact O-N 3.04Å; L169-L172 PolarHBondContact O-N 3.02Å; L169-E173 WeakPolarHBondContact O-CB 3.34Å; L169-E173 PolarHBondContact O-N 3.15Å
170	K	54.2	Low	53.7	Low	89 Å²	89	47.9 Å²	47.9	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-39.8	174.1	-78.7	169	-174.5	151	0	111.8	E166 Q167	E166-K170 WeakPolarHBondContact O-CB 3.34Å; E166-K170 VanDerWaalsContact O-CG 3.3Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.33Å; E166-K170 IonicContact OE2-NZ 3.02Å; E166-K170 PolarHBondContact OE2-NZ 3.35Å; Q167-K170 PolarHBondContact O-N 3.29Å
171	M	57.3	Low	54.9	Low	27 Å²	27	51.4 Å²	51.4	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-69.3	-35.4	177.2	-70.7	-176.2	-66.8	0	0	111.9	K145 A146 Q167 I168 L169 N175	K145-M171 HydrophobicContact CB-CE 4.29Å; K145-M171 HydrophobicContact CB-SD 3.61Å; K145-M171 HydrophobicContact CD-SD 4.35Å; A146-M171 HydrophobicContact CB-CE 4.03Å; Q167-M171 HydrophobicContact CG-CE 4.07Å; Q167-M171 WeakPolarHBondContact O-CB 3.42Å; Q167-M171 WeakPolarHBondContact O-CE 3.44Å; Q167-M171 VanDerWaalsContact O-CG 3.26Å; Q167-M171 WeakPolarHBondContact O-CG 3.19Å; Q167-M171 PolarHBondContact O-N 2.84Å; I168-M171 HydrophobicContact CG1-CE 4.23Å; I168-M171 PolarHBondContact O-N 3.35Å; L169-M171 VanDerWaalsContact C-N 3.34Å; L169-M171 PolarHBondContact O-N 3.04Å; M171-N175 PolarHBondContact O-ND2 2.9Å; M171-N175 VanDerWaalsContact O-ND2 3.11Å
172	L	54.6	Low	55.6	Low	14 Å²	14	48.8 Å²	48.8	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-77.7	-34.7	176	-75	174.9	0	0	0	112.9	L122 M125 I168 L169 Q174 N175 V176	L122-L172 HydrophobicContact CD2-CD1 4.07Å; L122-L172 HydrophobicContact CD2-CD2 3.35Å; L122-L172 HydrophobicContact CD2-CG 4.05Å; L122-L172 HydrophobicContact CG-CD2 4.48Å; M125-L172 HydrophobicContact CE-CD2 4.12Å; M125-L172 HydrophobicContact SD-CD2 3.83Å; I168-L172 HydrophobicContact CG2-CD1 3.81Å; I168-L172 HydrophobicContact CG2-CG 4.42Å; I168-L172 WeakPolarHBondContact O-CB 3.32Å; I168-L172 WeakPolarHBondContact O-CG 3.29Å; I168-L172 PolarHBondContact O-N 3.43Å; L169-L172 PolarHBondContact O-N 3.02Å; L172-Q174 PolarHBondContact O-N 3.3Å; L172-N175 CarbonylContact O-C 3.55Å; L172-N175 WeakPolarHBondContact O-CA 3.43Å; L172-N175 WeakPolarHBondContact O-CB 3.5Å; L172-N175 PolarHBondContact O-N 3.24Å; L172-V176 WeakPolarHBondContact O-CG2 3.43Å; L172-V176 PolarHBondContact O-N 2.75Å; L172-V176 VanDerWaalsContact O-N 3.11Å
173	E	52	Low	56.7	Low	10 Å²	10	42.9 Å²	42.9	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-36.4	-177.9	179.9	178.3	-146.7	0	0	112.3	K72 L169 N175 V176 M219 V220 R223	K72-E173 IonicContact NZ-OE1 2.61Å; K72-E173 PolarHBondContact NZ-OE1 3.08Å; K72-E173 IonicContact NZ-OE2 3.07Å; K72-E173 PolarHBondContact NZ-OE2 3.11Å; L169-E173 WeakPolarHBondContact O-CB 3.34Å; L169-E173 PolarHBondContact O-N 3.15Å; E173-N175 PolarHBondContact O-N 2.78Å; E173-V176 PolarHBondContact O-N 2.68Å; E173-M219 HydrophobicContact CG-CB 3.94Å; E173-M219 HydrophobicContact CG-CG 3.88Å; E173-V220 HydrophobicContact CG-CG2 3.86Å; E173-R223 VanDerWaalsContact OE1-CB 3.31Å; E173-R223 WeakPolarHBondContact OE1-CB 3.3Å; E173-R223 WeakPolarHBondContact OE1-CD 3.35Å; E173-R223 IonicContact OE2-NH1 3.89Å; E173-R223 PolarHBondContact OE2-NH1 2.92Å
174	Q	51.7	Low	57.8	Low	125 Å²	125	42.9 Å²	42.9	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.6	175.3	-66	-175.6	-3.4	0	0	113	L172 V220	L172-Q174 PolarHBondContact O-N 3.3Å; Q174-V220 HydrophobicContact CG-CG2 4.29Å
175	N	52.3	Low	58.8	Low	27 Å²	27	45 Å²	45	14%	0.144	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-7.5	-176.2	-59.7	-47.8	0	0	0	113.1	M125 G138 D139 M171 L172 E173	M125-N175 HydrophobicContact CE-CB 4.28Å; G138-N175 WeakPolarHBondContact CA-OD1 3.44Å; D139-N175 PolarHBondContact N-OD1 2.85Å; M171-N175 PolarHBondContact O-ND2 2.9Å; M171-N175 VanDerWaalsContact O-ND2 3.11Å; L172-N175 CarbonylContact O-C 3.55Å; L172-N175 WeakPolarHBondContact O-CA 3.43Å; L172-N175 WeakPolarHBondContact O-CB 3.5Å; L172-N175 PolarHBondContact O-N 3.24Å; E173-N175 PolarHBondContact O-N 2.78Å
176	V	58.1	Low	59.7	Low	10 Å²	10	44.3 Å²	44.3	6%	0.061	23%	0.228	C	C	.	.			trans	-94.7	124.9	-179.7	179.8	0	0	0	0	108.2	W50 L172 E173 M219	W50-V176 HydrophobicContact CH2-CB 3.86Å; W50-V176 HydrophobicContact CH2-CG1 3.75Å; W50-V176 HydrophobicContact CH2-CG2 3.61Å; W50-V176 HydrophobicContact CZ3-CG1 3.99Å; W50-V176 HydrophobicContact CZ3-CG2 4.29Å; L172-V176 WeakPolarHBondContact O-CG2 3.43Å; L172-V176 PolarHBondContact O-N 2.75Å; L172-V176 VanDerWaalsContact O-N 3.11Å; E173-V176 PolarHBondContact O-N 2.68Å; V176-M219 HydrophobicContact CB-CB 3.99Å; V176-M219 HydrophobicContact CG1-CB 4.11Å; V176-M219 HydrophobicContact CG1-CE 3.63Å; V176-M219 WeakPolarHBondContact O-CB 3.36Å; V176-M219 PolarHBondContact O-N 3.42Å
177	S	57.3	Low	60.6	Low	39 Å²	39	40.9 Å²	40.9	27%	0.273	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.9	168.5	-57.5	0	0	0	0	108.7	V217	S177-V217 CarbonylContact C-O 3.42Å; S177-V217 VanDerWaalsContact CA-O 3.29Å; S177-V217 WeakPolarHBondContact CA-O 3.3Å
178	L	56.8	Low	61.3	Low	8 Å²	8	39.5 Å²	39.5	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.3	174.5	-65.1	-177.4	0	0	0	109.7	I65 I183 M186 K216 V217 M219 V222	I65-L178 HydrophobicContact CD1-CD1 4.06Å; I65-L178 HydrophobicContact CD1-CD2 3.73Å; I65-L178 HydrophobicContact CG1-CD1 4.32Å; I65-L178 HydrophobicContact CG1-CD2 4.28Å; L178-I183 HydrophobicContact CB-CD1 4.31Å; L178-I183 HydrophobicContact CB-CG1 3.68Å; L178-I183 HydrophobicContact CD1-CG1 4.25Å; L178-M186 HydrophobicContact CD1-SD 3.99Å; L178-K216 CarbonylContact O-C 3.5Å; L178-K216 VanDerWaalsContact O-CA 3.22Å; L178-K216 WeakPolarHBondContact O-CA 3.36Å; L178-V217 PolarHBondContact N-O 3.46Å; L178-V217 PolarHBondContact O-N 3.13Å; L178-M219 HydrophobicContact CD1-CE 3.75Å; L178-M219 HydrophobicContact CD1-SD 4.01Å; L178-M219 HydrophobicContact CD2-CE 3.66Å; L178-M219 HydrophobicContact CG-CE 3.63Å; L178-M219 HydrophobicContact CG-SD 4.3Å; L178-V222 HydrophobicContact CD1-CG2 4.36Å
179	S	66.9	Low	61.7	Low	43 Å²	43	42 Å²	42	30%	0.301	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	156.7	167	62.9	0	0	0	0	110.1	D181 G182 I183	S179-D181 PolarHBondContact O-N 2.72Å; S179-D181 VanDerWaalsContact O-N 3.14Å; S179-G182 PolarHBondContact O-N 2.78Å; S179-G182 PolarHBondContact OG-N 2.95Å; S179-G182 VanDerWaalsContact OG-N 3.15Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 2.75Å
180	A	67.4	Low	62.1	Low	26 Å²	26	41.8 Å²	41.8	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-51.4	-35.8	172.8	0	0	0	0	0	113.1	K184 M209 G215	A180-K184 WeakPolarHBondContact O-CG 3.37Å; A180-K184 PolarHBondContact O-N 3.01Å; A180-K184 VanDerWaalsContact O-N 3.13Å; A180-M209 HydrophobicContact CB-CE 3.6Å; A180-M209 HydrophobicContact CB-SD 3.72Å; A180-G215 PolarHBondContact N-O 3.06Å
181	D	69.2	Low	62.5	Low	94 Å²	94	39.9 Å²	39.9	50%	0.503	21%	0.213	S	C	.	.	H	α-helix	trans	-69.6	-45.7	176.6	-161.9	-98.2	0	0	0	112	S179 I183 K184 Q185	S179-D181 PolarHBondContact O-N 2.72Å; S179-D181 VanDerWaalsContact O-N 3.14Å; D181-I183 VanDerWaalsContact C-N 3.27Å; D181-I183 PolarHBondContact O-N 2.93Å; D181-K184 WeakPolarHBondContact O-CB 3.16Å; D181-K184 PolarHBondContact O-N 3.1Å; D181-K184 VanDerWaalsContact O-N 3.08Å; D181-Q185 WeakPolarHBondContact O-CG 3.44Å; D181-Q185 PolarHBondContact O-N 2.93Å; D181-Q185 PolarHBondContact OD1-NE2 3.01Å
182	G	63.8	Low	62.9	Low	15 Å²	15	45.5 Å²	45.5	16%	0.155	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-36	176	0	0	0	0	0	112.8	S179 M186	S179-G182 PolarHBondContact O-N 2.78Å; S179-G182 PolarHBondContact OG-N 2.95Å; S179-G182 VanDerWaalsContact OG-N 3.15Å; G182-M186 VanDerWaalsContact O-CB 3.28Å; G182-M186 WeakPolarHBondContact O-CB 3.35Å; G182-M186 PolarHBondContact O-N 2.97Å
183	I	67.8	Low	63.3	Low	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-47.6	172.9	-63.5	168.6	0	0	0	110.3	L178 S179 D181 Q185 M186 F187 Q205 L208 M209 V217	L178-I183 HydrophobicContact CB-CD1 4.31Å; L178-I183 HydrophobicContact CB-CG1 3.68Å; L178-I183 HydrophobicContact CD1-CG1 4.25Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 2.75Å; D181-I183 VanDerWaalsContact C-N 3.27Å; D181-I183 PolarHBondContact O-N 2.93Å; I183-Q185 PolarHBondContact O-N 2.7Å; I183-M186 WeakPolarHBondContact O-CB 3.43Å; I183-M186 PolarHBondContact O-N 3.5Å; I183-F187 HydrophobicContact CG2-CD2 3.65Å; I183-F187 HydrophobicContact CG2-CE2 3.74Å; I183-F187 VanDerWaalsContact O-CD2 3.27Å; I183-F187 WeakPolarHBondContact O-CD2 2.9Å; I183-F187 PolarHBondContact O-N 2.81Å; I183-Q205 HydrophobicContact CG2-CG 4.4Å; I183-L208 HydrophobicContact CG2-CD1 4.35Å; I183-M209 HydrophobicContact CD1-SD 4.45Å; I183-V217 HydrophobicContact CD1-CB 3.51Å; I183-V217 HydrophobicContact CD1-CG2 3.25Å
184	K	70	Confident	63.7	Low	109 Å²	109	58 Å²	58	47%	0.474	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-48.5	177.9	-74.2	175.5	-179.5	-178.2	0	111.7	A180 D181 M186 F187 D188	A180-K184 WeakPolarHBondContact O-CG 3.37Å; A180-K184 PolarHBondContact O-N 3.01Å; A180-K184 VanDerWaalsContact O-N 3.13Å; D181-K184 WeakPolarHBondContact O-CB 3.16Å; D181-K184 PolarHBondContact O-N 3.1Å; D181-K184 VanDerWaalsContact O-N 3.08Å; K184-M186 VanDerWaalsContact C-N 3.33Å; K184-M186 PolarHBondContact O-N 3.34Å; K184-F187 PolarHBondContact O-N 3.13Å; K184-D188 WeakPolarHBondContact O-CB 3.38Å; K184-D188 VanDerWaalsContact O-CG 3.31Å; K184-D188 PolarHBondContact O-N 3Å
185	Q	71.1	Confident	63.8	Low	93 Å²	93	54.3 Å²	54.3	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-43.5	178.6	-67.2	-173.6	18	0	0	112.1	D181 I183 D188 N189	D181-Q185 WeakPolarHBondContact O-CG 3.44Å; D181-Q185 PolarHBondContact O-N 2.93Å; D181-Q185 PolarHBondContact OD1-NE2 3.01Å; I183-Q185 PolarHBondContact O-N 2.7Å; Q185-D188 PolarHBondContact O-N 3.48Å; Q185-N189 VanDerWaalsContact O-CG 3.28Å; Q185-N189 PolarHBondContact O-N 3.48Å; Q185-N189 PolarHBondContact O-ND2 3.48Å
186	M	68.2	Low	64.3	Low	6 Å²	6	53.5 Å²	53.5	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-50.5	175.5	170.7	-177.8	168.5	0	0	111.7	I65 V69 L178 G182 I183 K184 N189 L190 V222 L226	I65-M186 HydrophobicContact CG2-CB 4.26Å; I65-M186 HydrophobicContact CG2-CE 4.04Å; I65-M186 HydrophobicContact CG2-CG 3.61Å; I65-M186 HydrophobicContact CG2-SD 3.5Å; I65-M186 WeakPolarHBondContact CG2-SD 3.35Å; V69-M186 HydrophobicContact CG2-CE 3.31Å; L178-M186 HydrophobicContact CD1-SD 3.99Å; G182-M186 VanDerWaalsContact O-CB 3.28Å; G182-M186 WeakPolarHBondContact O-CB 3.35Å; G182-M186 PolarHBondContact O-N 2.97Å; I183-M186 WeakPolarHBondContact O-CB 3.43Å; I183-M186 PolarHBondContact O-N 3.5Å; K184-M186 VanDerWaalsContact C-N 3.33Å; K184-M186 PolarHBondContact O-N 3.34Å; M186-N189 PolarHBondContact O-N 3.13Å; M186-L190 HydrophobicContact CE-CD1 4.31Å; M186-L190 HydrophobicContact CG-CD1 4.48Å; M186-L190 WeakPolarHBondContact O-CG 3.22Å; M186-L190 PolarHBondContact O-N 2.84Å; M186-V222 HydrophobicContact CE-CG1 3.83Å; M186-V222 HydrophobicContact SD-CG1 4.07Å; M186-L226 HydrophobicContact CE-CD1 3.6Å
187	F	68.3	Low	65.2	Low	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.4	-34.8	179	-84.5	-81.3	0	0	0	112.6	I183 K184 N189 L190 I191 I196 A201 L204 Q205 L208 L226	I183-F187 HydrophobicContact CG2-CD2 3.65Å; I183-F187 HydrophobicContact CG2-CE2 3.74Å; I183-F187 VanDerWaalsContact O-CD2 3.27Å; I183-F187 WeakPolarHBondContact O-CD2 2.9Å; I183-F187 PolarHBondContact O-N 2.81Å; K184-F187 PolarHBondContact O-N 3.13Å; F187-N189 VanDerWaalsContact C-N 3.29Å; F187-N189 PolarHBondContact O-N 2.98Å; F187-L190 HydrophobicContact CD1-CD1 4.4Å; F187-L190 PolarHBondContact O-N 2.99Å; F187-I191 VanDerWaalsContact O-CG1 3.28Å; F187-I191 WeakPolarHBondContact O-CG1 3.17Å; F187-I191 PolarHBondContact O-N 3.23Å; F187-I196 HydrophobicContact CD1-CD1 3.47Å; F187-I196 VanDerWaalsContact CD1-CD1 3.47Å; F187-I196 HydrophobicContact CE1-CD1 3.97Å; F187-A201 HydrophobicContact CB-CB 4.42Å; F187-A201 HydrophobicContact CD1-CB 3.97Å; F187-L204 HydrophobicContact CD1-CB 4.48Å; F187-L204 HydrophobicContact CE1-CB 3.49Å; F187-L204 VanDerWaalsContact CE1-CB 3.49Å; F187-L204 HydrophobicContact CE1-CD1 3.71Å; F187-L204 HydrophobicContact CE1-CG 4.27Å; F187-L204 HydrophobicContact CZ-CB 3.6Å; F187-L204 HydrophobicContact CZ-CD1 4.32Å; F187-Q205 HydrophobicContact CB-CG 3.96Å; F187-Q205 HydrophobicContact CD1-CG 4.3Å; F187-Q205 HydrophobicContact CD2-CG 3.54Å; F187-Q205 HydrophobicContact CE2-CG 4.13Å; F187-Q205 HydrophobicContact CG-CG 3.66Å; F187-L208 HydrophobicContact CE2-CD1 3.5Å; F187-L208 HydrophobicContact CZ-CD1 3.72Å; F187-L226 HydrophobicContact CE1-CD2 4.32Å; F187-L226 HydrophobicContact CZ-CD2 4.25Å
188	D	68.9	Low	66.2	Low	76 Å²	76	60.2 Å²	60.2	41%	0.406	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-39.1	172.9	-77.3	-25.3	0	0	0	111.4	K184 Q185 I191 K192	K184-D188 WeakPolarHBondContact O-CB 3.38Å; K184-D188 VanDerWaalsContact O-CG 3.31Å; K184-D188 PolarHBondContact O-N 3Å; Q185-D188 PolarHBondContact O-N 3.48Å; D188-I191 PolarHBondContact O-N 3.39Å; D188-K192 VanDerWaalsContact O-CG 3.29Å; D188-K192 WeakPolarHBondContact O-CG 3.37Å; D188-K192 PolarHBondContact O-N 2.91Å
189	N	65.2	Low	67.3	Low	54 Å²	54	63.3 Å²	63.3	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-41.7	174.2	-68.6	-17	0	0	0	111.3	Q185 M186 F187 I191 K192 D193	Q185-N189 VanDerWaalsContact O-CG 3.28Å; Q185-N189 PolarHBondContact O-N 3.48Å; Q185-N189 PolarHBondContact O-ND2 3.48Å; M186-N189 PolarHBondContact O-N 3.13Å; F187-N189 VanDerWaalsContact C-N 3.29Å; F187-N189 PolarHBondContact O-N 2.98Å; N189-I191 VanDerWaalsContact C-N 3.29Å; N189-I191 PolarHBondContact O-N 3.48Å; N189-K192 WeakPolarHBondContact O-CB 3.34Å; N189-K192 PolarHBondContact O-N 3.44Å; N189-K192 VanDerWaalsContact O-N 3.13Å; N189-K192 PolarHBondContact OD1-NZ 2.85Å; N189-D193 PolarHBondContact O-N 2.86Å
190	L	63.6	Low	67.8	Low	12 Å²	12	63.7 Å²	63.7	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-32.3	175.2	-65	172.7	0	0	0	113.6	V69 M186 F187 K194 T195 I196	V69-L190 HydrophobicContact CG1-CD2 3.81Å; M186-L190 HydrophobicContact CE-CD1 4.31Å; M186-L190 HydrophobicContact CG-CD1 4.48Å; M186-L190 WeakPolarHBondContact O-CG 3.22Å; M186-L190 PolarHBondContact O-N 2.84Å; F187-L190 HydrophobicContact CD1-CD1 4.4Å; F187-L190 PolarHBondContact O-N 2.99Å; L190-K194 PolarHBondContact O-N 3.49Å; L190-T195 HydrophobicContact CD2-CG2 4.31Å; L190-T195 PolarHBondContact O-N 2.62Å; L190-I196 HydrophobicContact CB-CD1 3.54Å; L190-I196 HydrophobicContact CB-CG1 3.74Å; L190-I196 HydrophobicContact CD1-CD1 4.03Å; L190-I196 HydrophobicContact CG-CD1 4.44Å; L190-I196 PolarHBondContact O-N 3.36Å
191	I	61.5	Low	68.1	Low	48 Å²	48	62.4 Å²	62.4	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-46.4	171.9	-65.8	163.6	0	0	0	110.2	F187 D188 N189 D193 K194 I196 E198 A201	F187-I191 VanDerWaalsContact O-CG1 3.28Å; F187-I191 WeakPolarHBondContact O-CG1 3.17Å; F187-I191 PolarHBondContact O-N 3.23Å; D188-I191 PolarHBondContact O-N 3.39Å; N189-I191 VanDerWaalsContact C-N 3.29Å; N189-I191 PolarHBondContact O-N 3.48Å; I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 3.33Å; I191-K194 PolarHBondContact O-N 3.19Å; I191-I196 HydrophobicContact CG1-CG1 4.2Å; I191-E198 HydrophobicContact CD1-CB 4.43Å; I191-E198 HydrophobicContact CD1-CG 4.31Å; I191-A201 HydrophobicContact CD1-CB 3.58Å; I191-A201 HydrophobicContact CG1-CB 3.7Å
192	K	66.4	Low	68.7	Low	146 Å²	146	63.1 Å²	63.1	64%	0.635	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-40	178.3	-72.8	169.5	-167.5	162.5	0	111.8	D188 N189 K194	D188-K192 VanDerWaalsContact O-CG 3.29Å; D188-K192 WeakPolarHBondContact O-CG 3.37Å; D188-K192 PolarHBondContact O-N 2.91Å; N189-K192 WeakPolarHBondContact O-CB 3.34Å; N189-K192 PolarHBondContact O-N 3.44Å; N189-K192 VanDerWaalsContact O-N 3.13Å; N189-K192 PolarHBondContact OD1-NZ 2.85Å; K192-K194 PolarHBondContact O-N 3.11Å
193	D	62.8	Low	69.6	Low	98 Å²	98	67.4 Å²	67.4	52%	0.524	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.5	177.8	-70.7	-15.9	0	0	0	113.6	N189 I191 T195	N189-D193 PolarHBondContact O-N 2.86Å; I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 3.33Å; D193-T195 PolarHBondContact O-N 2.76Å
194	K	60.4	Low	70.1	Confident	188 Å²	188	67.5 Å²	67.5	82%	0.817	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	23.4	-178.8	-52.4	177.9	-179.5	176.8	0	113.5	L190 I191 K192	L190-K194 PolarHBondContact O-N 3.49Å; I191-K194 PolarHBondContact O-N 3.19Å; K192-K194 PolarHBondContact O-N 3.11Å
195	T	53.6	Low	70.5	Confident	47 Å²	47	63.9 Å²	63.9	29%	0.288	32%	0.322	S	S	.	.	S	Bend	trans	-72.3	-36	177.2	-55.1	0	0	0	0	110.6	I75 L190 D193 K233	I75-T195 HydrophobicContact CD1-CG2 4.06Å; L190-T195 HydrophobicContact CD2-CG2 4.31Å; L190-T195 PolarHBondContact O-N 2.62Å; D193-T195 PolarHBondContact O-N 2.76Å; T195-K233 PolarHBondContact O-NZ 2.97Å
196	I	63.7	Low	71.1	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.051	33%	0.33	C	S	.	.	S	Bend	trans	-136.6	153.3	177.8	64.6	-175.9	0	0	0	110.3	F187 L190 I191 E200 A201 F229	F187-I196 HydrophobicContact CD1-CD1 3.47Å; F187-I196 VanDerWaalsContact CD1-CD1 3.47Å; F187-I196 HydrophobicContact CE1-CD1 3.97Å; L190-I196 HydrophobicContact CB-CD1 3.54Å; L190-I196 HydrophobicContact CB-CG1 3.74Å; L190-I196 HydrophobicContact CD1-CD1 4.03Å; L190-I196 HydrophobicContact CG-CD1 4.44Å; L190-I196 PolarHBondContact O-N 3.36Å; I191-I196 HydrophobicContact CG1-CG1 4.2Å; I196-E200 HydrophobicContact CB-CB 4.46Å; I196-A201 HydrophobicContact CD1-CB 3.57Å; I196-A201 HydrophobicContact CG1-CB 4.09Å; I196-F229 HydrophobicContact CG2-CE1 3.71Å; I196-F229 HydrophobicContact CG2-CZ 4.13Å
197	T	76	Confident	71.8	Confident	77 Å²	77	68.2 Å²	68.2	47%	0.472	34%	0.342	S	S	.	.			trans	-79.2	159.1	172	62.9	0	0	0	0	111.1	A199 E200 A201	T197-A199 PolarHBondContact O-N 2.9Å; T197-E200 WeakPolarHBondContact CB-OE2 3.3Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.37Å; T197-E200 PolarHBondContact N-OE2 2.71Å; T197-E200 PolarHBondContact O-N 2.93Å; T197-E200 WeakPolarHBondContact OG1-CB 3.17Å; T197-E200 WeakPolarHBondContact OG1-CG 3.44Å; T197-E200 PolarHBondContact OG1-N 3.11Å; T197-E200 PolarHBondContact OG1-OE2 2.76Å; T197-A201 WeakPolarHBondContact O-CB 2.88Å; T197-A201 PolarHBondContact O-N 2.76Å
198	E	77.9	Confident	72.3	Confident	113 Å²	113	68.2 Å²	68.2	53%	0.528	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-34.9	177.7	-168.9	-172.8	161.7	0	0	112.4	I191 K202	I191-E198 HydrophobicContact CD1-CB 4.43Å; I191-E198 HydrophobicContact CD1-CG 4.31Å; E198-K202 WeakPolarHBondContact O-CB 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.41Å; E198-K202 PolarHBondContact O-N 2.88Å; E198-K202 VanDerWaalsContact OE1-CE 3.26Å; E198-K202 WeakPolarHBondContact OE1-CE 3.13Å; E198-K202 IonicContact OE1-NZ 2.62Å; E198-K202 PolarHBondContact OE1-NZ 3.39Å
199	A	80.9	Confident	72.9	Confident	73 Å²	73	68.2 Å²	68.2	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-68.5	-45.8	177	0	0	0	0	0	111.8	T197 A201 K202 E203	T197-A199 PolarHBondContact O-N 2.9Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-K202 PolarHBondContact O-N 3.2Å; A199-E203 PolarHBondContact O-N 3.25Å
200	E	76.8	Confident	73.6	Confident	51 Å²	51	73.9 Å²	73.9	24%	0.238	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-42.1	175.8	-69.6	166.5	132.4	0	0	111.2	I196 T197 E203 L204 F229 K233	I196-E200 HydrophobicContact CB-CB 4.46Å; T197-E200 WeakPolarHBondContact CB-OE2 3.3Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.37Å; T197-E200 PolarHBondContact N-OE2 2.71Å; T197-E200 PolarHBondContact O-N 2.93Å; T197-E200 WeakPolarHBondContact OG1-CB 3.17Å; T197-E200 WeakPolarHBondContact OG1-CG 3.44Å; T197-E200 PolarHBondContact OG1-N 3.11Å; T197-E200 PolarHBondContact OG1-OE2 2.76Å; E200-E203 PolarHBondContact O-N 3Å; E200-L204 WeakPolarHBondContact O-CG 3.46Å; E200-L204 PolarHBondContact O-N 3.47Å; E200-F229 HydrophobicContact CB-CE2 3.76Å; E200-F229 HydrophobicContact CB-CZ 3.79Å; E200-F229 HydrophobicContact CG-CE2 3.77Å; E200-F229 HydrophobicContact CG-CZ 3.84Å; E200-F229 WeakPolarHBondContact OE1-CZ 3.39Å; E200-K233 IonicContact OE1-NZ 2.67Å
201	A	75	Confident	74.2	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-45.8	176.5	0	0	0	0	0	112	F187 I191 I196 T197 A199 L204 Q205	F187-A201 HydrophobicContact CB-CB 4.42Å; F187-A201 HydrophobicContact CD1-CB 3.97Å; I191-A201 HydrophobicContact CD1-CB 3.58Å; I191-A201 HydrophobicContact CG1-CB 3.7Å; I196-A201 HydrophobicContact CD1-CB 3.57Å; I196-A201 HydrophobicContact CG1-CB 4.09Å; T197-A201 WeakPolarHBondContact O-CB 2.88Å; T197-A201 PolarHBondContact O-N 2.76Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A201-L204 PolarHBondContact O-N 2.91Å; A201-Q205 WeakPolarHBondContact O-CB 3.3Å; A201-Q205 VanDerWaalsContact O-CG 3.25Å; A201-Q205 WeakPolarHBondContact O-CG 3.34Å; A201-Q205 PolarHBondContact O-N 2.81Å
202	K	80.7	Confident	74.8	Confident	109 Å²	109	76.5 Å²	76.5	47%	0.474	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.8	-77.7	175.9	-174.7	168.6	0	111.8	E198 A199 L204 Q205 E206	E198-K202 WeakPolarHBondContact O-CB 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.41Å; E198-K202 PolarHBondContact O-N 2.88Å; E198-K202 VanDerWaalsContact OE1-CE 3.26Å; E198-K202 WeakPolarHBondContact OE1-CE 3.13Å; E198-K202 IonicContact OE1-NZ 2.62Å; E198-K202 PolarHBondContact OE1-NZ 3.39Å; A199-K202 PolarHBondContact O-N 3.2Å; K202-L204 PolarHBondContact O-N 3.47Å; K202-Q205 PolarHBondContact O-N 3.26Å; K202-E206 WeakPolarHBondContact O-CG 3.36Å; K202-E206 PolarHBondContact O-N 2.86Å
203	E	82.3	Confident	74.9	Confident	104 Å²	104	74.2 Å²	74.2	49%	0.486	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-45.1	178.3	-167.7	-170.5	88.5	0	0	111.5	A199 E200 E206 Q207	A199-E203 PolarHBondContact O-N 3.25Å; E200-E203 PolarHBondContact O-N 3Å; E203-E206 PolarHBondContact O-N 3.31Å; E203-Q207 VanDerWaalsContact O-CG 3.32Å; E203-Q207 WeakPolarHBondContact O-CG 3.47Å; E203-Q207 PolarHBondContact O-N 3.23Å; E203-Q207 PolarHBondContact OE1-NE2 2.89Å
204	L	78.8	Confident	75.3	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-67.6	-41.5	178.6	-69.2	170.1	0	0	0	112.3	F187 E200 A201 K202 E206 Q207 L208 L226 F229	F187-L204 HydrophobicContact CD1-CB 4.48Å; F187-L204 HydrophobicContact CE1-CB 3.49Å; F187-L204 VanDerWaalsContact CE1-CB 3.49Å; F187-L204 HydrophobicContact CE1-CD1 3.71Å; F187-L204 HydrophobicContact CE1-CG 4.27Å; F187-L204 HydrophobicContact CZ-CB 3.6Å; F187-L204 HydrophobicContact CZ-CD1 4.32Å; E200-L204 WeakPolarHBondContact O-CG 3.46Å; E200-L204 PolarHBondContact O-N 3.47Å; A201-L204 PolarHBondContact O-N 2.91Å; K202-L204 PolarHBondContact O-N 3.47Å; L204-E206 PolarHBondContact O-N 3.44Å; L204-Q207 PolarHBondContact O-N 2.83Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.11Å; L204-L208 PolarHBondContact O-N 2.9Å; L204-L226 HydrophobicContact CD1-CD2 4.44Å; L204-F229 HydrophobicContact CD1-CB 4.09Å; L204-F229 HydrophobicContact CD1-CD1 4.01Å; L204-F229 HydrophobicContact CD1-CD2 3.72Å; L204-F229 HydrophobicContact CD1-CE1 4.39Å; L204-F229 HydrophobicContact CD1-CE2 4.13Å; L204-F229 HydrophobicContact CD1-CG 3.66Å; L204-F229 HydrophobicContact CD1-CZ 4.43Å; L204-F229 HydrophobicContact CD2-CB 3.79Å; L204-F229 HydrophobicContact CD2-CD2 4.04Å; L204-F229 HydrophobicContact CD2-CG 4.1Å; L204-F229 HydrophobicContact CG-CD2 4.14Å; L204-F229 HydrophobicContact CG-CG 4.37Å
205	Q	78.1	Confident	75.6	Confident	34 Å²	34	69.5 Å²	69.5	16%	0.159	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-47.7	173.5	-76.8	-179.3	15.8	0	0	110.7	I183 F187 A201 K202 Q207 L208 M209	I183-Q205 HydrophobicContact CG2-CG 4.4Å; F187-Q205 HydrophobicContact CB-CG 3.96Å; F187-Q205 HydrophobicContact CD1-CG 4.3Å; F187-Q205 HydrophobicContact CD2-CG 3.54Å; F187-Q205 HydrophobicContact CE2-CG 4.13Å; F187-Q205 HydrophobicContact CG-CG 3.66Å; A201-Q205 WeakPolarHBondContact O-CB 3.3Å; A201-Q205 VanDerWaalsContact O-CG 3.25Å; A201-Q205 WeakPolarHBondContact O-CG 3.34Å; A201-Q205 PolarHBondContact O-N 2.81Å; K202-Q205 PolarHBondContact O-N 3.26Å; Q205-Q207 VanDerWaalsContact C-N 3.34Å; Q205-Q207 PolarHBondContact O-N 3.22Å; Q205-L208 PolarHBondContact O-N 3.27Å; Q205-M209 WeakPolarHBondContact O-CB 3.47Å; Q205-M209 WeakPolarHBondContact O-CG 3.39Å; Q205-M209 PolarHBondContact O-N 2.81Å
206	E	84.8	Confident	76.1	Confident	127 Å²	127	69.5 Å²	69.5	59%	0.593	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-40.7	178.4	-74	-172.4	130.6	0	0	112.3	K202 E203 L204 M209 K210	K202-E206 WeakPolarHBondContact O-CG 3.36Å; K202-E206 PolarHBondContact O-N 2.86Å; E203-E206 PolarHBondContact O-N 3.31Å; L204-E206 PolarHBondContact O-N 3.44Å; E206-M209 PolarHBondContact O-N 3.45Å; E206-K210 VanDerWaalsContact O-CG 3.29Å; E206-K210 WeakPolarHBondContact O-CG 3.28Å; E206-K210 PolarHBondContact O-N 2.95Å
207	Q	82.9	Confident	76.3	Confident	62 Å²	62	69 Å²	69	29%	0.29	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-42.3	175.5	-73.6	176.3	32.1	0	0	112	E203 L204 Q205 K210 K211	E203-Q207 VanDerWaalsContact O-CG 3.32Å; E203-Q207 WeakPolarHBondContact O-CG 3.47Å; E203-Q207 PolarHBondContact O-N 3.23Å; E203-Q207 PolarHBondContact OE1-NE2 2.89Å; L204-Q207 PolarHBondContact O-N 2.83Å; Q205-Q207 VanDerWaalsContact C-N 3.34Å; Q205-Q207 PolarHBondContact O-N 3.22Å; Q207-K210 PolarHBondContact O-N 2.81Å; Q207-K211 PolarHBondContact O-N 2.88Å
208	L	78.8	Confident	75.8	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-69.9	-41.9	178.1	-71.8	169.6	0	0	0	111.9	I183 F187 L204 Q205 K210 K211 A212 V217 E221 V222 A225	I183-L208 HydrophobicContact CG2-CD1 4.35Å; F187-L208 HydrophobicContact CE2-CD1 3.5Å; F187-L208 HydrophobicContact CZ-CD1 3.72Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.11Å; L204-L208 PolarHBondContact O-N 2.9Å; Q205-L208 PolarHBondContact O-N 3.27Å; L208-K210 VanDerWaalsContact C-N 3.26Å; L208-K210 PolarHBondContact O-N 3.48Å; L208-K211 CarbonylContact O-C 3.6Å; L208-K211 WeakPolarHBondContact O-CA 3.26Å; L208-K211 PolarHBondContact O-N 3.49Å; L208-A212 PolarHBondContact O-N 2.92Å; L208-A212 VanDerWaalsContact O-N 3.09Å; L208-V217 HydrophobicContact CB-CG1 4.39Å; L208-V217 HydrophobicContact CB-CG2 4.39Å; L208-V217 HydrophobicContact CD2-CG1 3.95Å; L208-V217 VanDerWaalsContact O-CG2 3.28Å; L208-V217 WeakPolarHBondContact O-CG2 3.36Å; L208-E221 HydrophobicContact CD2-CB 4.49Å; L208-V222 HydrophobicContact CD1-CG1 4.3Å; L208-V222 HydrophobicContact CD1-CG2 4.33Å; L208-V222 HydrophobicContact CD2-CB 4.39Å; L208-V222 HydrophobicContact CD2-CG2 4.13Å; L208-A225 HydrophobicContact CD1-CB 4.47Å; L208-A225 HydrophobicContact CD2-CB 3.68Å; L208-A225 HydrophobicContact CG-CB 4.08Å
209	M	80.1	Confident	75.3	Confident	75 Å²	75	62.3 Å²	62.3	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-30.5	177.1	-71.3	-55.5	-58.4	0	0	112.4	A180 I183 Q205 E206 K211 A212	A180-M209 HydrophobicContact CB-CE 3.6Å; A180-M209 HydrophobicContact CB-SD 3.72Å; I183-M209 HydrophobicContact CD1-SD 4.45Å; Q205-M209 WeakPolarHBondContact O-CB 3.47Å; Q205-M209 WeakPolarHBondContact O-CG 3.39Å; Q205-M209 PolarHBondContact O-N 2.81Å; E206-M209 PolarHBondContact O-N 3.45Å; M209-K211 PolarHBondContact O-N 3.46Å; M209-A212 HydrophobicContact CE-CB 4.42Å; M209-A212 VanDerWaalsContact O-CB 3.25Å; M209-A212 WeakPolarHBondContact O-CB 3.33Å; M209-A212 PolarHBondContact O-N 3.43Å
210	K	81.2	Confident	74.6	Confident	173 Å²	173	61.5 Å²	61.5	75%	0.752	32%	0.315	S	S	*	.	H	α-helix	trans	-65.3	-28.1	170.8	-75.9	170.7	-175.7	173.5	0	113.2	E206 Q207 L208	E206-K210 VanDerWaalsContact O-CG 3.29Å; E206-K210 WeakPolarHBondContact O-CG 3.28Å; E206-K210 PolarHBondContact O-N 2.95Å; Q207-K210 PolarHBondContact O-N 2.81Å; L208-K210 VanDerWaalsContact C-N 3.26Å; L208-K210 PolarHBondContact O-N 3.48Å
211	K	76.6	Confident	74.2	Confident	89 Å²	89	61.6 Å²	61.6	39%	0.387	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2.6	176.1	-63.8	-175.7	171.8	-173.3	0	112.7	Q207 L208 M209 V213 E221	Q207-K211 PolarHBondContact O-N 2.88Å; L208-K211 CarbonylContact O-C 3.6Å; L208-K211 WeakPolarHBondContact O-CA 3.26Å; L208-K211 PolarHBondContact O-N 3.49Å; M209-K211 PolarHBondContact O-N 3.46Å; K211-V213 PolarHBondContact O-N 3.39Å; K211-E221 HydrophobicContact CD-CB 4.49Å; K211-E221 HydrophobicContact CD-CG 4.45Å; K211-E221 WeakPolarHBondContact CD-OE2 3.23Å; K211-E221 WeakPolarHBondContact CE-OE2 3.27Å; K211-E221 IonicContact NZ-OE2 2.71Å; K211-E221 PolarHBondContact NZ-OE2 2.95Å
212	A	73.4	Confident	73.9	Confident	27 Å²	27	61.6 Å²	61.6	22%	0.223	32%	0.316	C	S	.	.			trans	-69.5	132.1	178.8	0	0	0	0	0	110.3	L208 M209 K216 V217	L208-A212 PolarHBondContact O-N 2.92Å; L208-A212 VanDerWaalsContact O-N 3.09Å; M209-A212 HydrophobicContact CE-CB 4.42Å; M209-A212 VanDerWaalsContact O-CB 3.25Å; M209-A212 WeakPolarHBondContact O-CB 3.33Å; M209-A212 PolarHBondContact O-N 3.43Å; A212-K216 CarbonylContact C-O 3.57Å; A212-K216 VanDerWaalsContact CA-O 3.28Å; A212-K216 WeakPolarHBondContact CA-O 3.47Å; A212-V217 HydrophobicContact CB-CG2 3.7Å
213	V	68.8	Low	73.1	Confident	98 Å²	98	60 Å²	60	59%	0.594	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-107.6	122.8	169.7	-176.3	0	0	0	0	106	K211 G215 K216	K211-V213 PolarHBondContact O-N 3.39Å; V213-G215 PolarHBondContact O-N 3.36Å; V213-K216 PolarHBondContact N-O 2.83Å; V213-K216 PolarHBondContact O-N 3.31Å; V213-K216 VanDerWaalsContact O-O 3.09Å
214	D	70.6	Confident	72.4	Confident	149 Å²	149	59 Å²	59	80%	0.797	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	37.5	-177.1	-59.9	-60.4	0	0	0	114	K216	D214-K216 PolarHBondContact O-N 3Å
215	G	66.8	Low	72.1	Confident	37 Å²	37	59 Å²	59	38%	0.381	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	11.4	179.7	0	0	0	0	0	114.6	A180 V213	A180-G215 PolarHBondContact N-O 3.06Å; V213-G215 PolarHBondContact O-N 3.36Å
216	K	64.9	Low	71.6	Confident	47 Å²	47	58 Å²	58	20%	0.204	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143	176.3	-60.8	179.4	-171.3	172	0	110.9	T48 L178 A212 V213 D214	T48-K216 PolarHBondContact O-NZ 3.48Å; L178-K216 CarbonylContact O-C 3.5Å; L178-K216 VanDerWaalsContact O-CA 3.22Å; L178-K216 WeakPolarHBondContact O-CA 3.36Å; A212-K216 CarbonylContact C-O 3.57Å; A212-K216 VanDerWaalsContact CA-O 3.28Å; A212-K216 WeakPolarHBondContact CA-O 3.47Å; V213-K216 PolarHBondContact N-O 2.83Å; V213-K216 PolarHBondContact O-N 3.31Å; V213-K216 VanDerWaalsContact O-O 3.09Å; D214-K216 PolarHBondContact O-N 3Å
217	V	66.9	Low	70.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.2	176.9	-173.6	0	0	0	0	108.7	S177 L178 I183 L208 A212 M219 E221 V222	S177-V217 CarbonylContact C-O 3.42Å; S177-V217 VanDerWaalsContact CA-O 3.29Å; S177-V217 WeakPolarHBondContact CA-O 3.3Å; L178-V217 PolarHBondContact N-O 3.46Å; L178-V217 PolarHBondContact O-N 3.13Å; I183-V217 HydrophobicContact CD1-CB 3.51Å; I183-V217 HydrophobicContact CD1-CG2 3.25Å; L208-V217 HydrophobicContact CB-CG1 4.39Å; L208-V217 HydrophobicContact CB-CG2 4.39Å; L208-V217 HydrophobicContact CD2-CG1 3.95Å; L208-V217 VanDerWaalsContact O-CG2 3.28Å; L208-V217 WeakPolarHBondContact O-CG2 3.36Å; A212-V217 HydrophobicContact CB-CG2 3.7Å; V217-M219 PolarHBondContact O-N 3.26Å; V217-E221 HydrophobicContact CG1-CB 3.84Å; V217-V222 HydrophobicContact CB-CG2 4.26Å; V217-V222 HydrophobicContact CG1-CG2 3.81Å
218	P	66.3	Low	70	Confident	43 Å²	43	59.1 Å²	59.1	28%	0.279	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	137.2	172	-23.7	33.5	0	0	0	110.8	V220 E221 V222	P218-V220 PolarHBondContact O-N 3.36Å; P218-V220 VanDerWaalsContact O-N 3.12Å; P218-E221 HydrophobicContact CB-CG 4.37Å; P218-E221 HydrophobicContact CG-CG 4.45Å; P218-E221 WeakPolarHBondContact O-CB 3.31Å; P218-E221 PolarHBondContact O-N 3.41Å; P218-V222 PolarHBondContact O-N 3.17Å
219	M	65.7	Low	69.4	Low	7 Å²	7	60.2 Å²	60.2	3%	0.034	31%	0.306	C	S	.	.	H	α-helix	trans	-58.6	-29.7	-179.4	-172.2	67.2	77.7	0	0	112	I65 L68 E173 V176 L178 V217 E221 V222 R223	I65-M219 HydrophobicContact CG1-CE 3.85Å; L68-M219 HydrophobicContact CD1-CE 4.03Å; L68-M219 HydrophobicContact CD1-CG 3.78Å; L68-M219 HydrophobicContact CD1-SD 3.96Å; E173-M219 HydrophobicContact CG-CB 3.94Å; E173-M219 HydrophobicContact CG-CG 3.88Å; V176-M219 HydrophobicContact CB-CB 3.99Å; V176-M219 HydrophobicContact CG1-CB 4.11Å; V176-M219 HydrophobicContact CG1-CE 3.63Å; V176-M219 WeakPolarHBondContact O-CB 3.36Å; V176-M219 PolarHBondContact O-N 3.42Å; L178-M219 HydrophobicContact CD1-CE 3.75Å; L178-M219 HydrophobicContact CD1-SD 4.01Å; L178-M219 HydrophobicContact CD2-CE 3.66Å; L178-M219 HydrophobicContact CG-CE 3.63Å; L178-M219 HydrophobicContact CG-SD 4.3Å; V217-M219 PolarHBondContact O-N 3.26Å; M219-E221 VanDerWaalsContact C-N 3.31Å; M219-E221 PolarHBondContact O-N 3.38Å; M219-V222 WeakPolarHBondContact O-CB 3.29Å; M219-V222 PolarHBondContact O-N 3.35Å; M219-V222 HydrophobicContact SD-CB 4.3Å; M219-R223 PolarHBondContact O-N 3.47Å
220	V	66.7	Low	68.4	Low	55 Å²	55	57.7 Å²	57.7	33%	0.333	30%	0.295	S	S	.	.	H	α-helix	trans	-55.8	-44.7	172.8	-177.8	0	0	0	0	111.7	E173 Q174 P218 R223 Q224	E173-V220 HydrophobicContact CG-CG2 3.86Å; Q174-V220 HydrophobicContact CG-CG2 4.29Å; P218-V220 PolarHBondContact O-N 3.36Å; P218-V220 VanDerWaalsContact O-N 3.12Å; V220-R223 PolarHBondContact O-N 3.44Å; V220-Q224 WeakPolarHBondContact O-CB 3.49Å; V220-Q224 PolarHBondContact O-N 2.96Å
221	E	69.1	Low	67.4	Low	53 Å²	53	53 Å²	53	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-69.8	-38.6	179	-66.2	-62.5	150.1	0	0	111.2	L208 K211 V217 P218 M219 Q224 A225	L208-E221 HydrophobicContact CD2-CB 4.49Å; K211-E221 HydrophobicContact CD-CB 4.49Å; K211-E221 HydrophobicContact CD-CG 4.45Å; K211-E221 WeakPolarHBondContact CD-OE2 3.23Å; K211-E221 WeakPolarHBondContact CE-OE2 3.27Å; K211-E221 IonicContact NZ-OE2 2.71Å; K211-E221 PolarHBondContact NZ-OE2 2.95Å; V217-E221 HydrophobicContact CG1-CB 3.84Å; P218-E221 HydrophobicContact CB-CG 4.37Å; P218-E221 HydrophobicContact CG-CG 4.45Å; P218-E221 WeakPolarHBondContact O-CB 3.31Å; P218-E221 PolarHBondContact O-N 3.41Å; M219-E221 VanDerWaalsContact C-N 3.31Å; M219-E221 PolarHBondContact O-N 3.38Å; E221-Q224 PolarHBondContact O-N 3.45Å; E221-A225 WeakPolarHBondContact O-CB 3.33Å; E221-A225 PolarHBondContact O-N 2.77Å
222	V	67.6	Low	66.9	Low	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-49.5	174.4	-178	0	0	0	0	110.6	L178 M186 L208 V217 P218 M219 Q224 A225 L226	L178-V222 HydrophobicContact CD1-CG2 4.36Å; M186-V222 HydrophobicContact CE-CG1 3.83Å; M186-V222 HydrophobicContact SD-CG1 4.07Å; L208-V222 HydrophobicContact CD1-CG1 4.3Å; L208-V222 HydrophobicContact CD1-CG2 4.33Å; L208-V222 HydrophobicContact CD2-CB 4.39Å; L208-V222 HydrophobicContact CD2-CG2 4.13Å; V217-V222 HydrophobicContact CB-CG2 4.26Å; V217-V222 HydrophobicContact CG1-CG2 3.81Å; P218-V222 PolarHBondContact O-N 3.17Å; M219-V222 WeakPolarHBondContact O-CB 3.29Å; M219-V222 PolarHBondContact O-N 3.35Å; M219-V222 HydrophobicContact SD-CB 4.3Å; V222-Q224 VanDerWaalsContact C-N 3.35Å; V222-Q224 PolarHBondContact O-N 3.32Å; V222-A225 PolarHBondContact O-N 3.32Å; V222-L226 HydrophobicContact CG1-CD1 4.33Å; V222-L226 WeakPolarHBondContact O-CG 3.39Å; V222-L226 PolarHBondContact O-N 2.81Å
223	R	64	Low	66.1	Low	76 Å²	76	59.4 Å²	59.4	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-58.1	-47.6	174.5	174.6	-169.2	-168.4	167.9	4.9	111.5	K72 E173 M219 V220 A225 L226 K227	K72-R223 HydrophobicContact CD-CG 3.83Å; K72-R223 VanDerWaalsContact CD-CZ 3.5Å; K72-R223 VanDerWaalsContact CE-NE 3.33Å; E173-R223 VanDerWaalsContact OE1-CB 3.31Å; E173-R223 WeakPolarHBondContact OE1-CB 3.3Å; E173-R223 WeakPolarHBondContact OE1-CD 3.35Å; E173-R223 IonicContact OE2-NH1 3.89Å; E173-R223 PolarHBondContact OE2-NH1 2.92Å; M219-R223 PolarHBondContact O-N 3.47Å; V220-R223 PolarHBondContact O-N 3.44Å; R223-A225 VanDerWaalsContact C-N 3.32Å; R223-A225 PolarHBondContact O-N 3.43Å; R223-L226 PolarHBondContact O-N 3.25Å; R223-K227 WeakPolarHBondContact O-CB 3.3Å; R223-K227 PolarHBondContact O-N 3.4Å
224	Q	69.2	Low	65.2	Low	81 Å²	81	60.8 Å²	60.8	38%	0.379	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-45.5	-177	-177.9	171.6	0.6	0	0	110.7	V220 E221 V222 L226 K227 E228	V220-Q224 WeakPolarHBondContact O-CB 3.49Å; V220-Q224 PolarHBondContact O-N 2.96Å; E221-Q224 PolarHBondContact O-N 3.45Å; V222-Q224 VanDerWaalsContact C-N 3.35Å; V222-Q224 PolarHBondContact O-N 3.32Å; Q224-L226 PolarHBondContact O-N 3.13Å; Q224-K227 PolarHBondContact O-N 3.38Å; Q224-E228 HydrophobicContact CG-CG 4.36Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.21Å; Q224-E228 PolarHBondContact NE2-OE1 3.2Å; Q224-E228 WeakPolarHBondContact O-CB 3.43Å; Q224-E228 WeakPolarHBondContact O-CG 3.17Å; Q224-E228 PolarHBondContact O-N 2.88Å
225	A	71.6	Confident	64.1	Low	5 Å²	5	60.2 Å²	60.2	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-44.7	176.5	0	0	0	0	0	112.1	L208 E221 V222 R223 K227 E228 F229	L208-A225 HydrophobicContact CD1-CB 4.47Å; L208-A225 HydrophobicContact CD2-CB 3.68Å; L208-A225 HydrophobicContact CG-CB 4.08Å; E221-A225 WeakPolarHBondContact O-CB 3.33Å; E221-A225 PolarHBondContact O-N 2.77Å; V222-A225 PolarHBondContact O-N 3.32Å; R223-A225 VanDerWaalsContact C-N 3.32Å; R223-A225 PolarHBondContact O-N 3.43Å; A225-K227 VanDerWaalsContact C-N 3.35Å; A225-K227 PolarHBondContact O-N 3.01Å; A225-E228 PolarHBondContact O-N 3.07Å; A225-F229 VanDerWaalsContact O-CB 3.26Å; A225-F229 WeakPolarHBondContact O-CB 3.4Å; A225-F229 PolarHBondContact O-N 3.47Å
226	L	67	Low	64	Low	11 Å²	11	61.4 Å²	61.4	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-37.4	176.6	-71.3	177.4	0	0	0	112.8	V69 M186 F187 L204 V222 R223 Q224 T230	V69-L226 HydrophobicContact CG2-CD1 4.08Å; M186-L226 HydrophobicContact CE-CD1 3.6Å; F187-L226 HydrophobicContact CE1-CD2 4.32Å; F187-L226 HydrophobicContact CZ-CD2 4.25Å; L204-L226 HydrophobicContact CD1-CD2 4.44Å; V222-L226 HydrophobicContact CG1-CD1 4.33Å; V222-L226 WeakPolarHBondContact O-CG 3.39Å; V222-L226 PolarHBondContact O-N 2.81Å; R223-L226 PolarHBondContact O-N 3.25Å; Q224-L226 PolarHBondContact O-N 3.13Å; L226-T230 WeakPolarHBondContact O-CB 3.27Å; L226-T230 PolarHBondContact O-N 2.61Å; L226-T230 PolarHBondContact O-OG1 3.08Å
227	K	66	Low	63.9	Low	134 Å²	134	62.2 Å²	62.2	58%	0.583	32%	0.324	S	S	*	.	H	α-helix	trans	-66.7	-48.3	176.6	-172.1	-178.3	179.5	-174.9	0	110.8	R223 Q224 A225 F229 T230 S231	R223-K227 WeakPolarHBondContact O-CB 3.3Å; R223-K227 PolarHBondContact O-N 3.4Å; Q224-K227 PolarHBondContact O-N 3.38Å; A225-K227 VanDerWaalsContact C-N 3.35Å; A225-K227 PolarHBondContact O-N 3.01Å; K227-F229 VanDerWaalsContact C-N 3.3Å; K227-F229 PolarHBondContact O-N 2.98Å; K227-T230 PolarHBondContact O-N 3.37Å; K227-S231 WeakPolarHBondContact O-CB 3.4Å; K227-S231 PolarHBondContact O-N 3.34Å; K227-S231 PolarHBondContact O-OG 3.03Å
228	E	68.4	Low	63.8	Low	79 Å²	79	65.6 Å²	65.6	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-41.1	176.3	-73.4	175.1	-172.5	0	0	111.4	Q224 A225 S231 K232	Q224-E228 HydrophobicContact CG-CG 4.36Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.21Å; Q224-E228 PolarHBondContact NE2-OE1 3.2Å; Q224-E228 WeakPolarHBondContact O-CB 3.43Å; Q224-E228 WeakPolarHBondContact O-CG 3.17Å; Q224-E228 PolarHBondContact O-N 2.88Å; A225-E228 PolarHBondContact O-N 3.07Å; E228-S231 PolarHBondContact O-N 3.14Å; E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 3.15Å
229	F	66	Low	63.6	Low	24 Å²	24	66.9 Å²	66.9	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-48.6	173.8	176.9	-102.8	0	0	0	112.6	I196 E200 L204 A225 K227 S231 K232 K233	I196-F229 HydrophobicContact CG2-CE1 3.71Å; I196-F229 HydrophobicContact CG2-CZ 4.13Å; E200-F229 HydrophobicContact CB-CE2 3.76Å; E200-F229 HydrophobicContact CB-CZ 3.79Å; E200-F229 HydrophobicContact CG-CE2 3.77Å; E200-F229 HydrophobicContact CG-CZ 3.84Å; E200-F229 WeakPolarHBondContact OE1-CZ 3.39Å; L204-F229 HydrophobicContact CD1-CB 4.09Å; L204-F229 HydrophobicContact CD1-CD1 4.01Å; L204-F229 HydrophobicContact CD1-CD2 3.72Å; L204-F229 HydrophobicContact CD1-CE1 4.39Å; L204-F229 HydrophobicContact CD1-CE2 4.13Å; L204-F229 HydrophobicContact CD1-CG 3.66Å; L204-F229 HydrophobicContact CD1-CZ 4.43Å; L204-F229 HydrophobicContact CD2-CB 3.79Å; L204-F229 HydrophobicContact CD2-CD2 4.04Å; L204-F229 HydrophobicContact CD2-CG 4.1Å; L204-F229 HydrophobicContact CG-CD2 4.14Å; L204-F229 HydrophobicContact CG-CG 4.37Å; A225-F229 VanDerWaalsContact O-CB 3.26Å; A225-F229 WeakPolarHBondContact O-CB 3.4Å; A225-F229 PolarHBondContact O-N 3.47Å; K227-F229 VanDerWaalsContact C-N 3.3Å; K227-F229 PolarHBondContact O-N 2.98Å; F229-S231 VanDerWaalsContact C-N 3.3Å; F229-S231 PolarHBondContact O-N 3.02Å; F229-K232 PolarHBondContact O-N 3.02Å; F229-K232 VanDerWaalsContact O-N 3.16Å; F229-K233 HydrophobicContact CE1-CD 4.15Å; F229-K233 HydrophobicContact CZ-CD 4.24Å; F229-K233 WeakPolarHBondContact O-CB 3.38Å; F229-K233 PolarHBondContact O-N 3.45Å
230	T	58.7	Low	63.5	Low	23 Å²	23	70.7 Å²	70.7	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-63.5	-38.6	178.8	-55.5	0	0	0	0	111.2	I75 L226 K227 K233 K234	I75-T230 HydrophobicContact CG1-CG2 4.34Å; L226-T230 WeakPolarHBondContact O-CB 3.27Å; L226-T230 PolarHBondContact O-N 2.61Å; L226-T230 PolarHBondContact O-OG1 3.08Å; K227-T230 PolarHBondContact O-N 3.37Å; T230-K233 PolarHBondContact O-N 3.38Å; T230-K234 PolarHBondContact O-N 2.91Å; T230-K234 VanDerWaalsContact O-N 3.12Å
231	S	61.5	Low	63.3	Low	75 Å²	75	71.7 Å²	71.7	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-39.9	173.7	-68.4	0	0	0	0	112.4	K227 E228 F229 A235	K227-S231 WeakPolarHBondContact O-CB 3.4Å; K227-S231 PolarHBondContact O-N 3.34Å; K227-S231 PolarHBondContact O-OG 3.03Å; E228-S231 PolarHBondContact O-N 3.14Å; F229-S231 VanDerWaalsContact C-N 3.3Å; F229-S231 PolarHBondContact O-N 3.02Å; S231-A235 PolarHBondContact O-N 3.34Å
232	K	64.6	Low	62.9	Low	133 Å²	133	73.1 Å²	73.1	58%	0.578	38%	0.376	S	S	*	.	H	α-helix	trans	-67.1	-36.2	174.2	-75	173.4	-179.5	175	0	112.7	E228 F229 A235	E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 3.15Å; F229-K232 PolarHBondContact O-N 3.02Å; F229-K232 VanDerWaalsContact O-N 3.16Å; K232-A235 PolarHBondContact O-N 3.09Å
233	K	57.6	Low	62.5	Low	116 Å²	116	78.6 Å²	78.6	50%	0.504	41%	0.405	S	S	.	.	H	α-helix	trans	-73.5	-25.4	179.8	-172.1	168.8	-179.1	162.5	0	113.5	T195 E200 F229 T230	T195-K233 PolarHBondContact O-NZ 2.97Å; E200-K233 IonicContact OE1-NZ 2.67Å; F229-K233 HydrophobicContact CE1-CD 4.15Å; F229-K233 HydrophobicContact CZ-CD 4.24Å; F229-K233 WeakPolarHBondContact O-CB 3.38Å; F229-K233 PolarHBondContact O-N 3.45Å; T230-K233 PolarHBondContact O-N 3.38Å
234	K	50.9	Low	62.4	Low	127 Å²	127	78.8 Å²	78.8	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-84	-17.6	174.8	-73.8	-173.7	-176.1	179.1	0	113.6	D74 T230	D74-K234 PolarHBondContact O-NZ 3.22Å; T230-K234 PolarHBondContact O-N 2.91Å; T230-K234 VanDerWaalsContact O-N 3.12Å
235	A	47	Very low	61.8	Low	138 Å²	138	78.6 Å²	78.6	100%	1.141	42%	0.418	S	S	*	.			trans	-82.4	0	176.6	0	0	0	0	0	110.8	S231 K232	S231-A235 PolarHBondContact O-N 3.34Å; K232-A235 PolarHBondContact O-N 3.09Å

Retrieved 235 of 235 residues in 116.7 ms (Link to these results)

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