A0A093HYK3_STRCA Loading...

Tetratricopeptide repeat protein 1

AlphaFold DB , UniProt , Accession A0A093HYK3, Species STRCA (Struthio camelus australis), Gene n/a, Length 296 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	36.3	Very low	43.3	Very low	245 Å²	245	175.5 Å²	175.5	100%	1.207	88%	0.877	S	S	*	*				0	114.5	0	-74.3	172.2	178.6	0	0	106.1
2	E	40.8	Very low	43.4	Very low	182 Å²	182	177 Å²	177	85%	0.85	88%	0.88	S	S	*	*			cis	-156.7	144.3	-2.1	-112.6	-175.4	158.7	0	0	104.9
3	E	37.9	Very low	43.5	Very low	180 Å²	180	176.3 Å²	176.3	84%	0.841	88%	0.88	S	S	*	*			trans	-73	141.8	177.2	-65.7	179.7	151.3	0	0	111.5
4	F	40.7	Very low	43.6	Very low	211 Å²	211	175.7 Å²	175.7	93%	0.925	88%	0.88	S	S	*	*			trans	-123	129.4	164	-114.5	-94.5	0	0	0	110.2
5	K	43.8	Very low	43.4	Very low	189 Å²	189	179.5 Å²	179.5	82%	0.822	88%	0.88	S	S	*	*			trans	-83.1	153.7	-158.9	-70.5	172.4	174.6	175.3	0	114.6
6	D	44.1	Very low	42.9	Very low	134 Å²	134	177.9 Å²	177.9	72%	0.717	88%	0.876	S	S	*	*			trans	-41.5	146.7	162.8	-93.7	-49.7	0	0	0	115.3
7	S	42.6	Very low	42.3	Very low	121 Å²	121	177.5 Å²	177.5	85%	0.846	88%	0.877	S	S	*	*			trans	-158.6	90.1	153.3	-63.5	0	0	0	0	110.1
8	R	49	Very low	42	Very low	217 Å²	217	178.1 Å²	178.1	82%	0.819	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-83.9	145.1	165.5	-63.4	-178.9	-160.2	-178	4.3	109.5
9	P	47.4	Very low	41.6	Very low	130 Å²	130	176.7 Å²	176.7	84%	0.844	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-77.5	142.1	173.9	30.3	-30.8	0	0	0	111.7
10	S	43.6	Very low	41.2	Very low	121 Å²	121	173.3 Å²	173.3	85%	0.846	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-75.5	144.8	-167.2	-55.5	0	0	0	0	115.5	E12	S10-E12 PolarHBondContact O-N 3.02Å
11	E	49.7	Very low	40.9	Very low	200 Å²	200	171.5 Å²	171.5	94%	0.935	86%	0.858	S	S	*	*			trans	-65.5	108.4	166.2	-69.5	-165.5	151.9	0	0	112.5
12	E	45.3	Very low	40.9	Very low	194 Å²	194	166.7 Å²	166.7	91%	0.907	83%	0.832	S	S	*	*			trans	-145.6	35.5	162.2	-144.1	173.1	-170.3	0	0	113	S10	S10-E12 PolarHBondContact O-N 3.02Å
13	L	44.6	Very low	40.6	Very low	168 Å²	168	165.8 Å²	165.8	88%	0.88	83%	0.826	S	S	*	*	S	Bend	trans	-105.5	9.9	179.8	-98.4	177	0	0	0	115.8
14	L	44.2	Very low	40.2	Very low	168 Å²	168	162.3 Å²	162.3	88%	0.88	82%	0.821	S	S	*	*			trans	-151.6	64.8	-176.2	-82.1	173	0	0	0	114.4
15	R	40.7	Very low	40.1	Very low	233 Å²	233	157.1 Å²	157.1	88%	0.879	81%	0.811	S	S	*	*			trans	-145.5	89.8	161.9	-83.3	-165.5	-175.7	151.9	3.6	112.9
16	N	35.9	Very low	39.6	Very low	153 Å²	153	156.6 Å²	156.6	82%	0.818	81%	0.811	S	S	*	*				148.3	87.4	112.5	-70	-19.2	0	0	0	112.8
17	L	33.1	Very low	39.1	Very low	172 Å²	172	155.2 Å²	155.2	90%	0.901	81%	0.812	S	S	*	*			trans	-77.9	125.5	146.7	-91.8	121	0	0	0	109.7
18	K	37.3	Very low	38.6	Very low	188 Å²	188	155.6 Å²	155.6	82%	0.817	81%	0.81	S	S	*	*			trans	167.8	113	141.2	-101.6	160.3	172.5	175.2	0	109.3
19	L	34.5	Very low	37.8	Very low	151 Å²	151	150.3 Å²	150.3	79%	0.791	81%	0.806	S	S	*	*				89.2	143.6	76.5	-97.3	162	0	0	0	113.4
20	S	32.3	Very low	37.1	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	80%	0.804	S	S	*	*			trans	83.3	143.4	165.3	77.9	0	0	0	0	116.6
21	D	35.4	Very low	36.6	Very low	137 Å²	137	152.2 Å²	152.2	73%	0.733	81%	0.808	S	S	*	*			cis	-179.5	156	-21.5	-126.9	-26.4	0	0	0	106.8
22	Q	36.8	Very low	35.8	Very low	144 Å²	144	147.6 Å²	147.6	67%	0.673	80%	0.803	S	S	*	*			trans	67.5	148.4	155.5	-63.6	-178	38.9	0	0	119
23	K	33.7	Very low	35.2	Very low	163 Å²	163	143 Å²	143	71%	0.709	80%	0.799	S	S	*	*			cis	-173.8	157.2	-1.2	-115.9	175.6	-175.5	165.1	0	108.8
24	S	30.8	Very low	34.5	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	79%	0.793	S	S	*	*			trans	57.8	133.9	146	63.9	0	0	0	0	120
25	S	37.2	Very low	34.5	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	79%	0.789	S	S	*	*				-176	145	52.6	38.4	0	0	0	0	111.9
26	E	34	Very low	34.1	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	79%	0.792	S	S	*	*			trans	48.9	116.7	138.4	-62.7	174.8	172.7	0	0	120.6
27	S	32.4	Very low	33.8	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	79%	0.789	S	S	*	*				64.8	111.2	76.5	-52.1	0	0	0	0	113.3
28	T	32.8	Very low	33.6	Very low	130 Å²	130	128.1 Å²	128.1	80%	0.798	78%	0.783	S	S	*	*				171.3	126.5	94.4	40.6	0	0	0	0	106.4
29	S	32.2	Very low	33.3	Very low	106 Å²	106	128.4 Å²	128.4	74%	0.741	79%	0.788	S	S	*	*				53.8	108.4	74.7	75.6	0	0	0	0	118.1
30	S	32.9	Very low	33.1	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	79%	0.789	S	S	*	*			trans	158.7	120.5	138.4	48.5	0	0	0	0	108.7
31	L	32.7	Very low	33.6	Very low	175 Å²	175	127.9 Å²	127.9	92%	0.916	78%	0.782	S	S	*	*				71.8	132.1	56.9	-82.9	170	0	0	0	116.6
32	A	33.2	Very low	33.4	Very low	102 Å²	102	130.3 Å²	130.3	84%	0.843	79%	0.786	S	S	*	*			trans	84.5	144.9	162.5	0	0	0	0	0	117.6
33	A	32.1	Very low	33	Very low	99 Å²	99	130.3 Å²	130.3	82%	0.818	79%	0.791	S	S	*	*			cis	-170.6	163.2	-10.2	0	0	0	0	0	107.6
34	G	30	Very low	32.9	Very low	72 Å²	72	131 Å²	131	74%	0.742	80%	0.801	S	S	*	*			trans	-66.6	-168.9	179.4	0	0	0	0	0	115.5
35	P	44.3	Very low	32.9	Very low	124 Å²	124	135.2 Å²	135.2	81%	0.805	81%	0.806	S	S	*	*				-156.1	164.8	63.3	38.3	-15.7	0	0	0	119.8
36	K	33.4	Very low	32.6	Very low	216 Å²	216	136.2 Å²	136.2	94%	0.939	81%	0.813	S	S	*	*			trans	38.1	138.9	141.9	-63.9	-166.5	176.3	-175.3	0	125.5
37	G	27.9	Very low	32.2	Very low	73 Å²	73	136.4 Å²	136.4	75%	0.753	81%	0.814	S	S	*	*			trans	149.2	99.3	145.8	0	0	0	0	0	113
38	A	28.9	Very low	31.9	Very low	95 Å²	95	136.9 Å²	136.9	79%	0.785	82%	0.816	S	S	*	*				85.4	131.4	87.5	0	0	0	0	0	116.1
39	Q	31.1	Very low	31.7	Very low	195 Å²	195	138 Å²	138	91%	0.911	82%	0.815	S	S	*	*			trans	95.2	119.7	155.6	-53.1	-177.2	1	0	0	120.8
40	N	30.5	Very low	32	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	81%	0.814	S	S	*	*			trans	-75.5	170.4	155.3	-144.5	10.8	0	0	0	108.6
41	P	42.5	Very low	31.6	Very low	94 Å²	94	138.1 Å²	138.1	61%	0.61	81%	0.814	S	S	*	*			cis	-156.8	-168.6	33.1	36	-7.9	0	0	0	118.4
42	K	31.4	Very low	31.4	Very low	189 Å²	189	135.2 Å²	135.2	82%	0.822	81%	0.808	S	S	*	*			trans	86.1	111.7	156.7	-58.4	174.7	-174.5	179.6	0	117.6
43	N	28.7	Very low	31.4	Very low	144 Å²	144	135.1 Å²	135.1	77%	0.77	81%	0.807	S	S	*	*				76.1	112	77.2	-159.1	11.1	0	0	0	113.4
44	L	30.9	Very low	31.2	Very low	176 Å²	176	140.2 Å²	140.2	92%	0.921	81%	0.811	S	S	*	*			trans	-165.4	118.5	155	-100.6	146.8	0	0	0	110.5
45	K	31.6	Very low	31.2	Very low	196 Å²	196	145.2 Å²	145.2	85%	0.852	82%	0.815	S	S	*	*			trans	-73.3	145.5	163.2	-73.3	174.2	170.8	-178.7	0	109.6
46	S	30.4	Very low	30.5	Very low	122 Å²	122	145.2 Å²	145.2	85%	0.853	82%	0.815	S	S	*	*			trans	-151.9	137.9	145.9	68.8	0	0	0	0	111.3
47	E	27.2	Very low	30.2	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	81%	0.807	S	S	*	*			trans	-75.1	144.7	-169.8	-67.1	162.3	147.1	0	0	114
48	C	24.7	Very low	30.5	Very low	114 Å²	114	144.1 Å²	144.1	77%	0.77	81%	0.812	S	S	*	*				29.1	130	128.8	-73.2	0	0	0	0	119.5
49	I	28.4	Very low	30.7	Very low	153 Å²	153	143.2 Å²	143.2	79%	0.785	81%	0.805	S	S	*	*				160.3	163	61.3	-103	161.1	0	0	0	106.9
50	P	38.3	Very low	31.4	Very low	111 Å²	111	140.3 Å²	140.3	72%	0.721	80%	0.796	S	S	*	*			cis	-136.1	-166.1	-35.2	41.4	-20.6	0	0	0	113.3
51	S	24.9	Very low	31.9	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	80%	0.797	S	S	*	*			trans	82.8	100.6	152.3	171.7	0	0	0	0	119.4
52	S	28.2	Very low	31.8	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	79%	0.791	S	S	*	*				-166.5	132.6	112	-170.4	0	0	0	0	110	K54	S52-K54 PolarHBondContact O-N 3.5Å
53	A	33.4	Very low	32.3	Very low	100 Å²	100	134 Å²	134	83%	0.826	76%	0.762	S	S	*	*			trans	-56.7	126.7	-175	0	0	0	0	0	112.3
54	K	29.5	Very low	32.9	Very low	207 Å²	207	135 Å²	135	90%	0.9	76%	0.762	S	S	*	*			trans	-119.5	133.6	158.1	-80.3	-175.3	176.9	-178.8	0	108	S52	S52-K54 PolarHBondContact O-N 3.5Å
55	E	28.4	Very low	33.4	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	73%	0.733	S	S	*	*			trans	-49.6	148.5	177.6	-59.7	-178.9	163.4	0	0	111.7	T57	E55-T57 PolarHBondContact O-N 3.34Å
56	P	30.5	Very low	33.7	Very low	124 Å²	124	125.4 Å²	125.4	81%	0.805	73%	0.728	S	S	*	*			trans	-70.1	99.5	-179.9	28.9	-31.7	0	0	0	109.1	T58	P56-T58 PolarHBondContact O-N 3.34Å; P56-T58 VanDerWaalsContact O-N 3.12Å
57	T	27.8	Very low	34.3	Very low	126 Å²	126	126.2 Å²	126.2	77%	0.773	72%	0.719	S	S	*	*			trans	-57.2	113.8	157.7	51.4	0	0	0	0	107.1	E55 A59	E55-T57 PolarHBondContact O-N 3.34Å; T57-A59 PolarHBondContact O-N 3.34Å
58	T	32.9	Very low	34.7	Very low	140 Å²	140	124.5 Å²	124.5	86%	0.859	72%	0.715	S	S	*	*			trans	-63.3	80.5	171.4	51.9	0	0	0	0	109.1	P56	P56-T58 PolarHBondContact O-N 3.34Å; P56-T58 VanDerWaalsContact O-N 3.12Å
59	A	33.7	Very low	35.5	Very low	77 Å²	77	123.3 Å²	123.3	64%	0.636	71%	0.708	S	S	*	*			trans	-93.4	123.8	169.9	0	0	0	0	0	108	T57	T57-A59 PolarHBondContact O-N 3.34Å
60	D	45.9	Very low	36	Very low	134 Å²	134	124.1 Å²	124.1	72%	0.717	71%	0.706	S	S	*	*			trans	50.6	90	153	-75.7	-36.2	0	0	0	118.6	C62	D60-C62 WeakPolarHBondContact OD1-CB 3.35Å
61	E	41.3	Very low	35.8	Very low	182 Å²	182	127.5 Å²	127.5	85%	0.85	71%	0.713	S	S	*	*			trans	-115	62.7	131	-67.6	-156.6	173.4	0	0	108.9	F63	E61-F63 PolarHBondContact O-N 3.01Å
62	C	40.6	Very low	36.3	Very low	70 Å²	70	126.1 Å²	126.1	47%	0.473	71%	0.708	S	S	.	*			trans	-73.7	102.3	174.4	-153.3	0	0	0	0	107.9	D60 H64 R194	D60-C62 WeakPolarHBondContact OD1-CB 3.35Å; C62-H64 PolarHBondContact O-N 3.17Å; C62-R194 PolarHBondContact SG-NH1 3.48Å
63	F	41.2	Very low	36.4	Very low	51 Å²	51	130.5 Å²	130.5	22%	0.224	71%	0.713	C	S	.	*			trans	-62.6	100	176.9	175.1	-113.7	0	0	0	110	E61 D65 F131 K132 R194	E61-F63 PolarHBondContact O-N 3.01Å; F63-D65 WeakPolarHBondContact CE1-OD1 3.41Å; F63-D65 PolarHBondContact O-N 3.14Å; F63-F131 AromaticContact CE1-CD1 3.61Å; F63-F131 HydrophobicContact CE1-CD1 3.61Å; F63-F131 AromaticContact CE1-CE1 3.57Å; F63-F131 HydrophobicContact CE1-CE1 3.57Å; F63-F131 AromaticContact CZ-CD1 3.93Å; F63-F131 HydrophobicContact CZ-CD1 3.93Å; F63-F131 HydrophobicContact CZ-CE1 4.1Å; F63-K132 HydrophobicContact CD2-CD 4.44Å; F63-K132 HydrophobicContact CD2-CG 4.28Å; F63-K132 HydrophobicContact CE2-CD 3.99Å; F63-K132 HydrophobicContact CE2-CG 3.46Å; F63-K132 VanDerWaalsContact CE2-CG 3.46Å; F63-K132 HydrophobicContact CZ-CG 3.9Å; F63-R194 PolarHBondContact O-NH1 3.15Å; F63-R194 PolarHBondContact O-NH2 3.41Å
64	H	40.2	Very low	36.5	Very low	166 Å²	166	134.9 Å²	134.9	77%	0.769	72%	0.716	S	S	*	*			trans	-63.2	103.2	176.9	-129.5	72.4	0	0	0	108.2	C62 C66	C62-H64 PolarHBondContact O-N 3.17Å; H64-C66 PolarHBondContact O-N 2.77Å; H64-C66 VanDerWaalsContact O-N 3.11Å
65	D	42.7	Very low	36.6	Very low	56 Å²	56	130.3 Å²	130.3	30%	0.299	71%	0.71	S	S	.	*			trans	-65.1	112.3	168	-91.9	-39	0	0	0	105.9	F63 H67 R194 R198	F63-D65 WeakPolarHBondContact CE1-OD1 3.41Å; F63-D65 PolarHBondContact O-N 3.14Å; D65-H67 PolarHBondContact O-N 3.27Å; D65-R194 IonicContact OD2-NH2 3.95Å; D65-R198 IonicContact OD2-CZ 3.34Å; D65-R198 IonicContact OD2-NH1 2.73Å; D65-R198 PolarHBondContact OD2-NH1 3.35Å; D65-R198 IonicContact OD2-NH2 2.81Å; D65-R198 PolarHBondContact OD2-NH2 3.3Å
66	C	37.8	Very low	37.1	Very low	113 Å²	113	130.9 Å²	130.9	76%	0.764	71%	0.713	S	S	*	*			trans	-64.6	122.6	169	35.9	0	0	0	0	107.3	H64 D68	H64-C66 PolarHBondContact O-N 2.77Å; H64-C66 VanDerWaalsContact O-N 3.11Å; C66-D68 VanDerWaalsContact C-N 3.35Å; C66-D68 PolarHBondContact O-N 2.83Å
67	H	42	Very low	37.2	Very low	140 Å²	140	131.8 Å²	131.8	65%	0.648	72%	0.716	S	S	*	*			trans	-67.9	88.7	-178.8	-173.8	-74.3	0	0	0	109.4	D65 S69	D65-H67 PolarHBondContact O-N 3.27Å; H67-S69 PolarHBondContact CE1-OG 2.86Å; H67-S69 PolarHBondContact ND1-OG 2.78Å; H67-S69 PolarHBondContact O-N 2.74Å
68	D	35.8	Very low	37.3	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	72%	0.718	S	S	*	*			trans	-85.1	103.3	167.1	-127.4	-4.9	0	0	0	107.3	C66 F70	C66-D68 VanDerWaalsContact C-N 3.35Å; C66-D68 PolarHBondContact O-N 2.83Å; D68-F70 PolarHBondContact O-N 2.84Å
69	S	41.4	Very low	37.3	Very low	89 Å²	89	129.8 Å²	129.8	62%	0.622	71%	0.712	S	S	*	*			trans	-58	109.8	175	-64.9	0	0	0	0	108.9	H67 E71	H67-S69 PolarHBondContact CE1-OG 2.86Å; H67-S69 PolarHBondContact ND1-OG 2.78Å; H67-S69 PolarHBondContact O-N 2.74Å; S69-E71 PolarHBondContact O-N 2.71Å
70	F	40.2	Very low	37.1	Very low	170 Å²	170	135.8 Å²	135.8	75%	0.746	73%	0.727	S	S	*	*			trans	-73	107	179.3	-176.3	-101.9	0	0	0	109.7	D68 A72	D68-F70 PolarHBondContact O-N 2.84Å; F70-A72 PolarHBondContact O-N 3.49Å
71	E	34.2	Very low	36.4	Very low	182 Å²	182	133.1 Å²	133.1	85%	0.85	73%	0.731	S	S	*	*			trans	-71.7	114.8	167	-74.8	-174.1	163.4	0	0	109.3	S69 K73	S69-E71 PolarHBondContact O-N 2.71Å; E71-K73 PolarHBondContact O-N 3.03Å
72	A	34.8	Very low	35.8	Very low	85 Å²	85	131.3 Å²	131.3	70%	0.702	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-68.6	119	174.3	0	0	0	0	0	110.3	F70	F70-A72 PolarHBondContact O-N 3.49Å
73	K	30.9	Very low	35.8	Very low	205 Å²	205	133.7 Å²	133.7	89%	0.891	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-95.1	118.2	161.3	-103.5	177.9	177.9	169.3	0	108.6	E71	E71-K73 PolarHBondContact O-N 3.03Å
74	E	34.5	Very low	35.5	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-69.1	135.3	168.7	-66.5	-176	164.4	0	0	110
75	S	32.9	Very low	35.3	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	77%	0.766	S	S	*	*			trans	-132.2	114.7	162.9	61	0	0	0	0	109.2
76	E	38	Very low	34.7	Very low	188 Å²	188	142.7 Å²	142.7	88%	0.879	79%	0.79	S	S	*	*			trans	-68.4	134.5	166.9	-62.5	-179.9	145.4	0	0	110.3
77	V	33	Very low	34.8	Very low	142 Å²	142	146.6 Å²	146.6	86%	0.861	80%	0.797	S	S	*	*			trans	-145.7	122.9	152.1	-177.8	0	0	0	0	109.7
78	D	29.8	Very low	34.6	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	81%	0.806	S	S	*	*			trans	-71.3	153.1	171.7	-64.8	-60.2	0	0	0	113.8
79	G	32.6	Very low	34.7	Very low	70 Å²	70	146 Å²	146	72%	0.722	81%	0.808	S	S	*	*			trans	102.7	94.2	131.4	0	0	0	0	0	120.6
80	E	30.3	Very low	34.6	Very low	203 Å²	203	147.9 Å²	147.9	95%	0.949	82%	0.821	S	S	*	*			trans	58.8	116.2	133.5	-58.8	-171.5	166	0	0	123.2
81	G	30.5	Very low	34.7	Very low	78 Å²	78	151.1 Å²	151.1	80%	0.804	83%	0.828	S	S	*	*				102.2	107.9	121.8	0	0	0	0	0	118.5
82	N	29.1	Very low	35.2	Very low	144 Å²	144	152.2 Å²	152.2	77%	0.77	83%	0.83	S	S	*	*				171	121.3	108.6	-165.8	11.6	0	0	0	110.3
83	V	40.5	Very low	35.4	Very low	120 Å²	120	156.9 Å²	156.9	73%	0.727	84%	0.837	S	S	*	*			trans	-83.3	115	176.3	175.2	0	0	0	0	108.3
84	Q	34.3	Very low	35.9	Very low	168 Å²	168	152.8 Å²	152.8	79%	0.785	83%	0.829	S	S	*	*			trans	-123.6	116.4	157.1	-73.8	-171.5	-14.5	0	0	108.8	D86	Q84-D86 PolarHBondContact O-N 2.99Å
85	N	36.1	Very low	36.6	Very low	143 Å²	143	151.2 Å²	151.2	77%	0.765	82%	0.822	S	S	*	*			trans	-61.3	116.2	174	-67.2	-35.9	0	0	0	109.5
86	D	30.9	Very low	37.8	Very low	150 Å²	150	149.5 Å²	149.5	80%	0.802	80%	0.804	S	S	*	*			trans	-124.2	79.6	159.1	-101.6	-32.3	0	0	0	108.5	Q84 N88	Q84-D86 PolarHBondContact O-N 2.99Å; D86-N88 PolarHBondContact O-N 3.1Å
87	E	39.8	Very low	39.1	Very low	195 Å²	195	146.2 Å²	146.2	91%	0.911	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	68.5	163.4	-73.9	-156.4	156.3	0	0	110
88	N	37	Very low	40.9	Very low	158 Å²	158	142.4 Å²	142.4	85%	0.845	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.9	36.2	160.5	-148.7	10.3	0	0	0	115.5	D86	D86-N88 PolarHBondContact O-N 3.1Å
89	S	37	Very low	43.1	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	76%	0.762	S	S	*	*			trans	-138.8	44	177.8	-168.3	0	0	0	0	113.3
90	S	40	Very low	45.2	Very low	128 Å²	128	146.6 Å²	146.6	90%	0.895	76%	0.755	S	S	*	*			trans	-113.7	19.8	175.6	-162.1	0	0	0	0	113.4
91	R	42.6	Very low	47.5	Very low	239 Å²	239	137.7 Å²	137.7	90%	0.902	71%	0.714	S	S	*	*	S	Bend	trans	-137.2	63.5	-176.7	-140	-179.1	-158.6	158.8	4.4	111.3
92	K	44	Very low	49.8	Very low	205 Å²	205	138.4 Å²	138.4	89%	0.891	70%	0.699	S	S	*	*			trans	178.5	96.6	157	-104	159.5	-176.1	178.3	0	111
93	Q	39.1	Very low	52.4	Low	183 Å²	183	137.1 Å²	137.1	86%	0.855	69%	0.688	S	S	*	*	S	Bend	trans	-159	82	139.8	-108.5	169.5	15.8	0	0	109	E95	Q93-E95 PolarHBondContact O-N 3.26Å; Q93-E95 VanDerWaalsContact O-N 3.14Å
94	T	41.7	Very low	54.2	Low	118 Å²	118	135.8 Å²	135.8	72%	0.724	68%	0.677	S	S	*	*			trans	43.9	55.2	149.5	58.5	0	0	0	0	117.7
95	E	50.3	Low	56.5	Low	159 Å²	159	128.3 Å²	128.3	74%	0.743	64%	0.642	S	S	*	*			trans	-77.5	112.2	140	-75.1	179.5	169	0	0	105.2	Q93 D97	Q93-E95 PolarHBondContact O-N 3.26Å; Q93-E95 VanDerWaalsContact O-N 3.14Å; E95-D97 PolarHBondContact O-N 3.05Å
96	L	57.2	Low	58.7	Low	77 Å²	77	128.2 Å²	128.2	40%	0.403	64%	0.635	S	S	.	*			trans	-57.9	110.2	161.4	-75	148	0	0	0	105.2	E98 L101 Q148	L96-E98 PolarHBondContact O-N 3.44Å; L96-L101 HydrophobicContact CB-CD1 3.62Å; L96-L101 HydrophobicContact CB-CG 4.29Å; L96-L101 HydrophobicContact CD1-CD1 4.18Å; L96-L101 HydrophobicContact CG-CD1 4.34Å; L96-Q148 HydrophobicContact CD1-CB 4.42Å; L96-Q148 HydrophobicContact CD1-CG 3.75Å
97	D	66.3	Low	61.3	Low	118 Å²	118	128 Å²	128	63%	0.631	63%	0.634	S	S	*	*			trans	-49.1	108.6	175.5	-74	-32.2	0	0	0	107.3	E95 E99 Y100 L101	E95-D97 PolarHBondContact O-N 3.05Å; D97-E99 PolarHBondContact O-N 2.94Å; D97-E99 VanDerWaalsContact O-N 3.15Å; D97-Y100 WeakPolarHBondContact O-CA 3.32Å; D97-Y100 VanDerWaalsContact O-CB 3.3Å; D97-Y100 WeakPolarHBondContact O-CB 3.49Å; D97-Y100 PolarHBondContact O-N 2.95Å; D97-L101 PolarHBondContact O-N 3.32Å; D97-L101 VanDerWaalsContact O-N 3.15Å
98	E	70.1	Confident	63.6	Low	62 Å²	62	119.7 Å²	119.7	29%	0.29	60%	0.595	S	S	.	*	H	α-helix	trans	-60.5	-30.5	-171.3	-175	163.7	-144.7	0	0	110.5	L96 L101 L102 K184	L96-E98 PolarHBondContact O-N 3.44Å; E98-L101 PolarHBondContact O-N 3.46Å; E98-L102 HydrophobicContact CG-CD1 4.37Å; E98-L102 WeakPolarHBondContact O-CB 3.46Å; E98-L102 VanDerWaalsContact O-CG 3.27Å; E98-L102 WeakPolarHBondContact O-CG 3.48Å; E98-L102 PolarHBondContact O-N 3.21Å; E98-K184 IonicContact OE1-NZ 3.41Å; E98-K184 WeakPolarHBondContact OE2-CE 3.46Å; E98-K184 IonicContact OE2-NZ 3.5Å; E98-K184 PolarHBondContact OE2-NZ 3.09Å
99	E	75.7	Confident	66.3	Low	165 Å²	165	115.7 Å²	115.7	77%	0.771	58%	0.578	S	S	*	*	H	α-helix	trans	-59.5	-42.5	169.9	-172.6	172.2	-165.2	0	0	112.9	D97 L102 E103	D97-E99 PolarHBondContact O-N 2.94Å; D97-E99 VanDerWaalsContact O-N 3.15Å; E99-L102 PolarHBondContact O-N 3.28Å; E99-E103 PolarHBondContact O-N 2.79Å
100	Y	77.1	Confident	69	Low	148 Å²	148	114.9 Å²	114.9	58%	0.58	56%	0.561	S	S	*	*	H	α-helix	trans	-67.8	-39.6	177	178.3	-106	0	0	0	112	D97 E103 L104	D97-Y100 WeakPolarHBondContact O-CA 3.32Å; D97-Y100 VanDerWaalsContact O-CB 3.3Å; D97-Y100 WeakPolarHBondContact O-CB 3.49Å; D97-Y100 PolarHBondContact O-N 2.95Å; Y100-E103 PolarHBondContact O-N 2.74Å; Y100-L104 HydrophobicContact CD1-CD1 3.76Å; Y100-L104 HydrophobicContact CE1-CD1 3.25Å; Y100-L104 HydrophobicContact CE1-CG 4.21Å; Y100-L104 HydrophobicContact CE2-CD1 4.27Å; Y100-L104 HydrophobicContact CE2-CG 4.39Å; Y100-L104 HydrophobicContact CG-CD1 4.45Å; Y100-L104 WeakPolarHBondContact O-CG 3.43Å; Y100-L104 PolarHBondContact O-N 3.24Å; Y100-L104 VanDerWaalsContact O-N 3.08Å
101	L	77.6	Confident	71.5	Confident	16 Å²	16	116.8 Å²	116.8	8%	0.084	56%	0.556	C	S	.	*	H	α-helix	trans	-63.1	-43.8	173.7	-79.9	167.1	0	0	0	111.6	L96 D97 E98 E103 L104 E105 A152	L96-L101 HydrophobicContact CB-CD1 3.62Å; L96-L101 HydrophobicContact CB-CG 4.29Å; L96-L101 HydrophobicContact CD1-CD1 4.18Å; L96-L101 HydrophobicContact CG-CD1 4.34Å; D97-L101 PolarHBondContact O-N 3.32Å; D97-L101 VanDerWaalsContact O-N 3.15Å; E98-L101 PolarHBondContact O-N 3.46Å; L101-E103 PolarHBondContact O-N 3.26Å; L101-L104 PolarHBondContact O-N 2.81Å; L101-E105 WeakPolarHBondContact O-CB 3.33Å; L101-E105 VanDerWaalsContact O-CG 3.23Å; L101-E105 WeakPolarHBondContact O-CG 3.34Å; L101-E105 PolarHBondContact O-N 3.42Å; L101-A152 HydrophobicContact CB-CB 4.44Å
102	L	79.4	Confident	74	Confident	93 Å²	93	108.9 Å²	108.9	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-64.1	-39.4	178.7	-74.4	168	0	0	0	112.4	E98 E99 E105 K106 A152	E98-L102 HydrophobicContact CG-CD1 4.37Å; E98-L102 WeakPolarHBondContact O-CB 3.46Å; E98-L102 VanDerWaalsContact O-CG 3.27Å; E98-L102 WeakPolarHBondContact O-CG 3.48Å; E98-L102 PolarHBondContact O-N 3.21Å; E99-L102 PolarHBondContact O-N 3.28Å; L102-E105 PolarHBondContact O-N 3.33Å; L102-K106 PolarHBondContact O-N 3.15Å; L102-A152 HydrophobicContact CD2-CB 3.75Å; L102-A152 HydrophobicContact CG-CB 4.14Å
103	E	83.4	Confident	76.3	Confident	117 Å²	117	100.5 Å²	100.5	55%	0.547	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-42.9	176	-166.3	65.4	-142.2	0	0	111.3	E99 Y100 L101 E105 K106	E99-E103 PolarHBondContact O-N 2.79Å; Y100-E103 PolarHBondContact O-N 2.74Å; L101-E103 PolarHBondContact O-N 3.26Å; E103-E105 PolarHBondContact O-N 2.84Å; E103-K106 WeakPolarHBondContact O-CB 3.44Å; E103-K106 PolarHBondContact O-N 3.45Å; E103-K106 IonicContact OE1-NZ 3.89Å
104	L	78.6	Confident	79	Confident	92 Å²	92	96.1 Å²	96.1	48%	0.482	47%	0.472	S	S	.	.	H	α-helix	trans	-61.8	-31.1	174.9	-80	170.3	0	0	0	113.2	Y100 L101	Y100-L104 HydrophobicContact CD1-CD1 3.76Å; Y100-L104 HydrophobicContact CE1-CD1 3.25Å; Y100-L104 HydrophobicContact CE1-CG 4.21Å; Y100-L104 HydrophobicContact CE2-CD1 4.27Å; Y100-L104 HydrophobicContact CE2-CG 4.39Å; Y100-L104 HydrophobicContact CG-CD1 4.45Å; Y100-L104 WeakPolarHBondContact O-CG 3.43Å; Y100-L104 PolarHBondContact O-N 3.24Å; Y100-L104 VanDerWaalsContact O-N 3.08Å; L101-L104 PolarHBondContact O-N 2.81Å
105	E	83.1	Confident	81.6	Confident	12 Å²	12	96.6 Å²	96.6	6%	0.056	46%	0.464	C	S	.	.	H	α-helix	trans	-87.9	-11.6	-176.6	-74.6	173.1	-155.7	0	0	114.2	L101 L102 E103 D107 M108 K113 P151 A152 C153	L101-E105 WeakPolarHBondContact O-CB 3.33Å; L101-E105 VanDerWaalsContact O-CG 3.23Å; L101-E105 WeakPolarHBondContact O-CG 3.34Å; L101-E105 PolarHBondContact O-N 3.42Å; L102-E105 PolarHBondContact O-N 3.33Å; E103-E105 PolarHBondContact O-N 2.84Å; E105-D107 VanDerWaalsContact C-N 3.33Å; E105-D107 PolarHBondContact O-N 3.49Å; E105-M108 HydrophobicContact CG-CE 4.21Å; E105-M108 PolarHBondContact O-N 3.07Å; E105-K113 WeakPolarHBondContact O-CE 3.39Å; E105-K113 PolarHBondContact O-NZ 3.49Å; E105-P151 WeakPolarHBondContact OE1-CA 3.34Å; E105-A152 PolarHBondContact OE1-N 2.91Å; E105-A152 WeakPolarHBondContact OE2-CB 3.21Å; E105-A152 PolarHBondContact OE2-N 3.14Å; E105-C153 PolarHBondContact OE2-N 3.06Å
106	K	82.6	Confident	83.8	Confident	141 Å²	141	93.2 Å²	93.2	61%	0.613	45%	0.445	S	S	*	.	H	α-helix	trans	-61.1	-41.2	-175.7	-172.3	176.5	175.2	-176	0	112.6	L102 E103	L102-K106 PolarHBondContact O-N 3.15Å; E103-K106 WeakPolarHBondContact O-CB 3.44Å; E103-K106 PolarHBondContact O-N 3.45Å; E103-K106 IonicContact OE1-NZ 3.89Å
107	D	84.4	Confident	85.6	Confident	145 Å²	145	93.9 Å²	93.9	78%	0.775	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	3.9	-178.2	-61.5	-35.9	0	0	0	113.4	E105	E105-D107 VanDerWaalsContact C-N 3.33Å; E105-D107 PolarHBondContact O-N 3.49Å
108	M	88.4	Confident	87.1	Confident	20 Å²	20	95 Å²	95	10%	0.099	44%	0.441	C	S	.	.			trans	-81.2	129	-176.7	-172.6	-177.6	-56	0	0	111.3	E105 E112 K113	E105-M108 HydrophobicContact CG-CE 4.21Å; E105-M108 PolarHBondContact O-N 3.07Å; M108-E112 HydrophobicContact CG-CB 3.9Å; M108-E112 HydrophobicContact CG-CG 3.96Å; M108-E112 HydrophobicContact SD-CB 4.37Å; M108-E112 HydrophobicContact SD-CG 3.98Å; M108-K113 HydrophobicContact CB-CG 4.38Å; M108-K113 HydrophobicContact CG-CG 4.02Å; M108-K113 VanDerWaalsContact O-CE 3.24Å; M108-K113 WeakPolarHBondContact O-CE 3.4Å; M108-K113 HydrophobicContact SD-CG 3.82Å
109	P	94.3	Very high	88.4	Confident	75 Å²	75	95.9 Å²	95.9	49%	0.487	45%	0.445	S	S	.	.			trans	-66	148.3	-179.9	27.2	-33.3	0	0	0	111.1	E111 E112 K113	P109-E111 PolarHBondContact O-N 3.38Å; P109-E112 HydrophobicContact CG-CB 3.83Å; P109-E112 WeakPolarHBondContact O-CB 3.18Å; P109-E112 PolarHBondContact O-N 3.47Å; P109-K113 PolarHBondContact O-N 3.21Å
110	E	92.1	Very high	89.4	Confident	99 Å²	99	88.2 Å²	88.2	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-59.7	-33.9	-176.7	-173.1	55.1	-148.1	0	0	112.5	E112 K113 Q114	E110-E112 VanDerWaalsContact C-N 3.32Å; E110-E112 PolarHBondContact O-N 2.95Å; E110-K113 PolarHBondContact O-N 3.37Å; E110-Q114 WeakPolarHBondContact O-CG 3.3Å; E110-Q114 PolarHBondContact O-N 3.04Å
111	E	93.9	Very high	90.4	Very high	168 Å²	168	83.1 Å²	83.1	79%	0.785	39%	0.394	S	S	*	.	H	α-helix	trans	-61.4	-39.4	174.6	-65.4	-177.6	-179.9	0	0	112.4	P109 K115	P109-E111 PolarHBondContact O-N 3.38Å; E111-K115 WeakPolarHBondContact O-CB 3.47Å; E111-K115 PolarHBondContact O-N 2.98Å
112	E	94	Very high	91.4	Very high	73 Å²	73	86.3 Å²	86.3	34%	0.341	41%	0.414	S	S	.	.	H	α-helix	trans	-71.3	-40.6	176.3	-174	-179.7	167.9	0	0	111	M108 P109 E110 Q114 K115 R116	M108-E112 HydrophobicContact CG-CB 3.9Å; M108-E112 HydrophobicContact CG-CG 3.96Å; M108-E112 HydrophobicContact SD-CB 4.37Å; M108-E112 HydrophobicContact SD-CG 3.98Å; P109-E112 HydrophobicContact CG-CB 3.83Å; P109-E112 WeakPolarHBondContact O-CB 3.18Å; P109-E112 PolarHBondContact O-N 3.47Å; E110-E112 VanDerWaalsContact C-N 3.32Å; E110-E112 PolarHBondContact O-N 2.95Å; E112-Q114 VanDerWaalsContact C-N 3.31Å; E112-Q114 PolarHBondContact O-N 3.4Å; E112-K115 WeakPolarHBondContact O-CB 3.47Å; E112-K115 PolarHBondContact O-N 3.48Å; E112-K115 VanDerWaalsContact O-N 3.14Å; E112-R116 HydrophobicContact CG-CG 4.49Å; E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.24Å; E112-R116 IonicContact OE1-CZ 2.68Å; E112-R116 IonicContact OE1-NE 2.73Å; E112-R116 PolarHBondContact OE1-NE 3.42Å; E112-R116 VanDerWaalsContact OE1-NE 3.15Å; E112-R116 IonicContact OE1-NH2 3.36Å; E112-R116 PolarHBondContact OE1-NH2 2.94Å
113	K	93.8	Very high	92.3	Very high	30 Å²	30	83.5 Å²	83.5	13%	0.13	40%	0.4	C	S	.	.	H	α-helix	trans	-57.3	-45.8	173.9	-69.1	179.4	178.8	172.6	0	111.1	E105 M108 P109 E110 R116 R117 P151 F154	E105-K113 WeakPolarHBondContact O-CE 3.39Å; E105-K113 PolarHBondContact O-NZ 3.49Å; M108-K113 HydrophobicContact CB-CG 4.38Å; M108-K113 HydrophobicContact CG-CG 4.02Å; M108-K113 VanDerWaalsContact O-CE 3.24Å; M108-K113 WeakPolarHBondContact O-CE 3.4Å; M108-K113 HydrophobicContact SD-CG 3.82Å; P109-K113 PolarHBondContact O-N 3.21Å; E110-K113 PolarHBondContact O-N 3.37Å; K113-R116 PolarHBondContact O-N 3.32Å; K113-R117 WeakPolarHBondContact O-CB 3.33Å; K113-R117 PolarHBondContact O-N 3.37Å; K113-P151 HydrophobicContact CB-CG 4.24Å; K113-F154 HydrophobicContact CB-CE2 4.11Å; K113-F154 HydrophobicContact CB-CZ 4.4Å
114	Q	95.3	Very high	93	Very high	91 Å²	91	80.5 Å²	80.5	43%	0.425	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-37.7	176.1	-71.2	-174.9	23.7	0	0	112.7	E110 E112 R117 K118	E110-Q114 WeakPolarHBondContact O-CG 3.3Å; E110-Q114 PolarHBondContact O-N 3.04Å; E112-Q114 VanDerWaalsContact C-N 3.31Å; E112-Q114 PolarHBondContact O-N 3.4Å; Q114-R117 WeakPolarHBondContact O-CB 3.23Å; Q114-R117 PolarHBondContact O-N 3.17Å; Q114-K118 WeakPolarHBondContact O-CG 3.48Å; Q114-K118 PolarHBondContact O-N 3.46Å
115	K	96.3	Very high	93.9	Very high	127 Å²	127	80.2 Å²	80.2	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-60.8	-49.5	174.2	-172.5	-170.3	177.2	-157.2	0	111	E111 E112 R117 K118 E119	E111-K115 WeakPolarHBondContact O-CB 3.47Å; E111-K115 PolarHBondContact O-N 2.98Å; E112-K115 WeakPolarHBondContact O-CB 3.47Å; E112-K115 PolarHBondContact O-N 3.48Å; E112-K115 VanDerWaalsContact O-N 3.14Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 2.98Å; K115-K118 WeakPolarHBondContact O-CB 3.5Å; K115-K118 PolarHBondContact O-N 3.45Å; K115-K118 VanDerWaalsContact O-N 3.15Å; K115-E119 WeakPolarHBondContact CE-OE1 3.49Å; K115-E119 IonicContact NZ-OE1 3.15Å; K115-E119 WeakPolarHBondContact O-CG 3.32Å; K115-E119 PolarHBondContact O-N 3.42Å
116	R	95.6	Very high	94.7	Very high	89 Å²	89	84.7 Å²	84.7	34%	0.336	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-39.6	176.1	-70.6	-176	-175.5	-149.8	4.9	112.3	E112 K113 K118 E119 S120 I149 P151	E112-R116 HydrophobicContact CG-CG 4.49Å; E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.24Å; E112-R116 IonicContact OE1-CZ 2.68Å; E112-R116 IonicContact OE1-NE 2.73Å; E112-R116 PolarHBondContact OE1-NE 3.42Å; E112-R116 VanDerWaalsContact OE1-NE 3.15Å; E112-R116 IonicContact OE1-NH2 3.36Å; E112-R116 PolarHBondContact OE1-NH2 2.94Å; K113-R116 PolarHBondContact O-N 3.32Å; R116-K118 VanDerWaalsContact C-N 3.33Å; R116-K118 PolarHBondContact O-N 2.94Å; R116-E119 PolarHBondContact O-N 3.4Å; R116-S120 WeakPolarHBondContact O-CB 3.49Å; R116-S120 PolarHBondContact O-N 3.41Å; R116-I149 HydrophobicContact CB-CG2 4.06Å; R116-I149 HydrophobicContact CG-CG2 4.45Å; R116-I149 WeakPolarHBondContact O-CG2 3.38Å; R116-P151 HydrophobicContact CB-CG 3.9Å
117	R	95.8	Very high	95.4	Very high	91 Å²	91	78 Å²	78	34%	0.343	37%	0.371	S	S	.	.	H	α-helix	trans	-57.8	-43.8	172.9	-174.5	-172.3	-178.4	-174.8	3.8	112.1	K113 Q114 K115 S120 T121 F154 D157	K113-R117 WeakPolarHBondContact O-CB 3.33Å; K113-R117 PolarHBondContact O-N 3.37Å; Q114-R117 WeakPolarHBondContact O-CB 3.23Å; Q114-R117 PolarHBondContact O-N 3.17Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 2.98Å; R117-S120 PolarHBondContact O-N 3.39Å; R117-T121 PolarHBondContact O-N 3.34Å; R117-T121 PolarHBondContact O-OG1 3.45Å; R117-F154 HydrophobicContact CB-CD2 4Å; R117-F154 HydrophobicContact CB-CE2 3.79Å; R117-F154 HydrophobicContact CB-CZ 4.37Å; R117-F154 HydrophobicContact CG-CD2 4.03Å; R117-F154 HydrophobicContact CG-CE2 4.16Å; R117-F154 HydrophobicContact CG-CG 4.28Å; R117-D157 IonicContact CZ-OD2 3.31Å; R117-D157 IonicContact NE-OD2 3.36Å; R117-D157 PolarHBondContact NE-OD2 2.86Å; R117-D157 IonicContact NH2-OD1 2.75Å; R117-D157 PolarHBondContact NH2-OD1 2.92Å; R117-D157 IonicContact NH2-OD2 3.77Å; R117-D157 PolarHBondContact NH2-OD2 3.29Å
118	K	97.4	Very high	96.1	Very high	142 Å²	142	72.3 Å²	72.3	62%	0.617	34%	0.341	S	S	*	.	H	α-helix	trans	-65.3	-44.8	175.9	-70	172.5	-176.1	176.4	0	111.5	Q114 K115 R116 S120 T121 T122	Q114-K118 WeakPolarHBondContact O-CG 3.48Å; Q114-K118 PolarHBondContact O-N 3.46Å; K115-K118 WeakPolarHBondContact O-CB 3.5Å; K115-K118 PolarHBondContact O-N 3.45Å; K115-K118 VanDerWaalsContact O-N 3.15Å; R116-K118 VanDerWaalsContact C-N 3.33Å; R116-K118 PolarHBondContact O-N 2.94Å; K118-S120 VanDerWaalsContact C-N 3.34Å; K118-S120 PolarHBondContact O-N 3.49Å; K118-T121 WeakPolarHBondContact O-CB 3.45Å; K118-T121 PolarHBondContact O-N 3.01Å; K118-T121 VanDerWaalsContact O-N 3.08Å; K118-T122 PolarHBondContact O-N 2.84Å
119	E	97.5	Very high	96.5	Very high	79 Å²	79	76.6 Å²	76.6	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-40.4	175.6	-70	174	-169.3	0	0	112.4	K115 R116 T121 T122 L123 I149	K115-E119 WeakPolarHBondContact CE-OE1 3.49Å; K115-E119 IonicContact NZ-OE1 3.15Å; K115-E119 WeakPolarHBondContact O-CG 3.32Å; K115-E119 PolarHBondContact O-N 3.42Å; R116-E119 PolarHBondContact O-N 3.4Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 3.38Å; E119-T122 PolarHBondContact O-N 2.91Å; E119-T122 PolarHBondContact O-OG1 3.49Å; E119-L123 PolarHBondContact O-N 2.92Å; E119-I149 HydrophobicContact CB-CG2 4.03Å
120	S	97.5	Very high	96.7	Very high	4 Å²	4	74.5 Å²	74.5	3%	0.028	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-40	171.4	168.5	0	0	0	0	111.9	R116 R117 K118 T122 L123 K124 A146 C150	R116-S120 WeakPolarHBondContact O-CB 3.49Å; R116-S120 PolarHBondContact O-N 3.41Å; R117-S120 PolarHBondContact O-N 3.39Å; K118-S120 VanDerWaalsContact C-N 3.34Å; K118-S120 PolarHBondContact O-N 3.49Å; S120-T122 PolarHBondContact O-N 2.92Å; S120-L123 PolarHBondContact O-N 3.34Å; S120-K124 PolarHBondContact O-N 2.84Å; S120-A146 PolarHBondContact OG-O 3.1Å; S120-C150 WeakPolarHBondContact OG-CB 3.36Å
121	T	97.6	Very high	97	Very high	41 Å²	41	70.4 Å²	70.4	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-39.7	179.6	-58.5	0	0	0	0	112.2	R117 K118 E119 L123 K124 E125	R117-T121 PolarHBondContact O-N 3.34Å; R117-T121 PolarHBondContact O-OG1 3.45Å; K118-T121 WeakPolarHBondContact O-CB 3.45Å; K118-T121 PolarHBondContact O-N 3.01Å; K118-T121 VanDerWaalsContact O-N 3.08Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 3.38Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.45Å; T121-K124 WeakPolarHBondContact O-CB 3.46Å; T121-K124 PolarHBondContact O-N 3.07Å; T121-E125 WeakPolarHBondContact O-CG 3.45Å; T121-E125 PolarHBondContact O-N 2.94Å
122	T	98.3	Very high	97.2	Very high	83 Å²	83	69 Å²	69	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-67.4	-35.9	176.4	61.7	0	0	0	0	111.9	K118 E119 S120 E125 K126	K118-T122 PolarHBondContact O-N 2.84Å; E119-T122 PolarHBondContact O-N 2.91Å; E119-T122 PolarHBondContact O-OG1 3.49Å; S120-T122 PolarHBondContact O-N 2.92Å; T122-E125 PolarHBondContact O-N 3.36Å; T122-K126 PolarHBondContact O-N 3.03Å
123	L	98.3	Very high	97.4	Very high	35 Å²	35	72.3 Å²	72.3	18%	0.183	33%	0.329	C	S	.	.	H	α-helix	trans	-67.9	-38.6	173.5	-71.9	169.4	0	0	0	112.4	E119 S120 T121 K126 G127 K145 A146 I149	E119-L123 PolarHBondContact O-N 2.92Å; S120-L123 PolarHBondContact O-N 3.34Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.45Å; L123-K126 PolarHBondContact O-N 3.46Å; L123-G127 PolarHBondContact O-N 3.13Å; L123-K145 HydrophobicContact CD1-CB 4.11Å; L123-A146 HydrophobicContact CB-CB 3.79Å; L123-I149 HydrophobicContact CD1-CD1 3.38Å
124	K	98.3	Very high	97.5	Very high	54 Å²	54	72.5 Å²	72.5	24%	0.235	34%	0.339	C	S	.	.	H	α-helix	trans	-57.9	-48.4	171.2	179.4	-161	70.5	179.7	0	111	S120 T121 K126 G127 N128 Y143 V160 L161	S120-K124 PolarHBondContact O-N 2.84Å; T121-K124 WeakPolarHBondContact O-CB 3.46Å; T121-K124 PolarHBondContact O-N 3.07Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K124-K126 PolarHBondContact O-N 3.05Å; K124-G127 PolarHBondContact O-N 3.11Å; K124-G127 VanDerWaalsContact O-N 3.16Å; K124-N128 VanDerWaalsContact O-CG 3.23Å; K124-N128 PolarHBondContact O-N 3.2Å; K124-N128 PolarHBondContact O-OD1 3.39Å; K124-Y143 HydrophobicContact CG-CE1 4.42Å; K124-V160 HydrophobicContact CD-CG1 4.38Å; K124-L161 HydrophobicContact CB-CD2 3.7Å; K124-L161 HydrophobicContact CD-CD2 4.38Å; K124-L161 HydrophobicContact CG-CD2 3.81Å
125	E	98.4	Very high	97.7	Very high	86 Å²	86	71.3 Å²	71.3	40%	0.402	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-43.9	179.1	-73.3	164.5	-171.9	0	0	111.4	T121 T122 G127 N128 E129	T121-E125 WeakPolarHBondContact O-CG 3.45Å; T121-E125 PolarHBondContact O-N 2.94Å; T122-E125 PolarHBondContact O-N 3.36Å; E125-G127 VanDerWaalsContact C-N 3.34Å; E125-G127 PolarHBondContact O-N 3.44Å; E125-N128 WeakPolarHBondContact O-CB 3.44Å; E125-N128 PolarHBondContact O-N 3.14Å; E125-N128 VanDerWaalsContact O-N 3.14Å; E125-E129 PolarHBondContact O-N 3.4Å
126	K	98.4	Very high	97.7	Very high	106 Å²	106	68.7 Å²	68.7	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-57.9	-44.9	172	-176.7	-177.7	178	-178.4	0	112.3	T122 L123 K124 N128 E129 Q130	T122-K126 PolarHBondContact O-N 3.03Å; L123-K126 PolarHBondContact O-N 3.46Å; K124-K126 VanDerWaalsContact C-N 3.34Å; K124-K126 PolarHBondContact O-N 3.05Å; K126-N128 VanDerWaalsContact C-N 3.31Å; K126-N128 PolarHBondContact O-N 2.87Å; K126-E129 PolarHBondContact O-N 2.84Å; K126-Q130 WeakPolarHBondContact O-CG 3.48Å; K126-Q130 PolarHBondContact O-N 3.11Å
127	G	98.3	Very high	97.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-39.6	175.2	0	0	0	0	0	112.3	L123 K124 E125 E129 Q130 F131 A139 Y143	L123-G127 PolarHBondContact O-N 3.13Å; K124-G127 PolarHBondContact O-N 3.11Å; K124-G127 VanDerWaalsContact O-N 3.16Å; E125-G127 VanDerWaalsContact C-N 3.34Å; E125-G127 PolarHBondContact O-N 3.44Å; G127-E129 VanDerWaalsContact C-N 3.35Å; G127-E129 PolarHBondContact O-N 3.39Å; G127-Q130 PolarHBondContact O-N 2.78Å; G127-F131 WeakPolarHBondContact O-CB 3.34Å; G127-F131 PolarHBondContact O-N 2.81Å; G127-A139 WeakPolarHBondContact O-CB 3.34Å; G127-Y143 VanDerWaalsContact C-CZ 3.5Å; G127-Y143 VanDerWaalsContact C-OH 3.23Å; G127-Y143 PolarHBondContact O-OH 3.23Å
128	N	98.1	Very high	98	Very high	25 Å²	25	66.1 Å²	66.1	13%	0.134	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-39.9	176	-65.9	-14.6	0	0	0	111.4	K124 E125 K126 F131 K132 Y143 N164	K124-N128 VanDerWaalsContact O-CG 3.23Å; K124-N128 PolarHBondContact O-N 3.2Å; K124-N128 PolarHBondContact O-OD1 3.39Å; E125-N128 WeakPolarHBondContact O-CB 3.44Å; E125-N128 PolarHBondContact O-N 3.14Å; E125-N128 VanDerWaalsContact O-N 3.14Å; K126-N128 VanDerWaalsContact C-N 3.31Å; K126-N128 PolarHBondContact O-N 2.87Å; N128-F131 PolarHBondContact O-N 3.01Å; N128-K132 VanDerWaalsContact O-CG 3.28Å; N128-K132 WeakPolarHBondContact O-CG 3.39Å; N128-K132 PolarHBondContact O-N 3.22Å; N128-Y143 VanDerWaalsContact CA-OH 3.32Å; N128-Y143 WeakPolarHBondContact CA-OH 3.29Å; N128-Y143 PolarHBondContact N-OH 3.18Å; N128-Y143 WeakPolarHBondContact OD1-CE1 3.41Å; N128-Y143 PolarHBondContact OD1-OH 3.47Å; N128-N164 PolarHBondContact OD1-ND2 3.01Å; N128-N164 VanDerWaalsContact OD1-ND2 3.13Å
129	E	98.4	Very high	98	Very high	111 Å²	111	59.3 Å²	59.3	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-42.7	175.1	-70.5	179.8	-175.7	0	0	112.3	E125 K126 G127 K132 K133	E125-E129 PolarHBondContact O-N 3.4Å; K126-E129 PolarHBondContact O-N 2.84Å; G127-E129 VanDerWaalsContact C-N 3.35Å; G127-E129 PolarHBondContact O-N 3.39Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 2.93Å; E129-K133 VanDerWaalsContact O-N 3.15Å
130	Q	98.3	Very high	98.1	Very high	30 Å²	30	57 Å²	57	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-44.2	176	-71.6	168.8	-38.6	0	0	111	K126 G127 K132 K133 G134 D135 E138 A139 S142	K126-Q130 WeakPolarHBondContact O-CG 3.48Å; K126-Q130 PolarHBondContact O-N 3.11Å; G127-Q130 PolarHBondContact O-N 2.78Å; Q130-K132 VanDerWaalsContact C-N 3.32Å; Q130-K132 PolarHBondContact O-N 2.93Å; Q130-K133 WeakPolarHBondContact O-CB 3.44Å; Q130-K133 PolarHBondContact O-N 2.91Å; Q130-G134 PolarHBondContact O-N 2.98Å; Q130-D135 HydrophobicContact CB-CB 4.17Å; Q130-D135 PolarHBondContact O-N 2.89Å; Q130-E138 HydrophobicContact CG-CB 4.32Å; Q130-E138 PolarHBondContact OE1-O 2.75Å; Q130-A139 HydrophobicContact CB-CB 3.93Å; Q130-S142 PolarHBondContact OE1-OG 3.28Å
131	F	98.1	Very high	98.1	Very high	14 Å²	14	61.1 Å²	61.1	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-43.8	176	-171.6	-84.7	0	0	0	111.9	F63 G127 N128 K133 G134 Y136 A139 A167 A168 K171	F63-F131 AromaticContact CE1-CD1 3.61Å; F63-F131 HydrophobicContact CE1-CD1 3.61Å; F63-F131 AromaticContact CE1-CE1 3.57Å; F63-F131 HydrophobicContact CE1-CE1 3.57Å; F63-F131 AromaticContact CZ-CD1 3.93Å; F63-F131 HydrophobicContact CZ-CD1 3.93Å; F63-F131 HydrophobicContact CZ-CE1 4.1Å; G127-F131 WeakPolarHBondContact O-CB 3.34Å; G127-F131 PolarHBondContact O-N 2.81Å; N128-F131 PolarHBondContact O-N 3.01Å; F131-K133 PolarHBondContact O-N 3.32Å; F131-G134 PolarHBondContact O-N 3.22Å; F131-G134 VanDerWaalsContact O-N 3.1Å; F131-Y136 HydrophobicContact CD1-CE1 4.5Å; F131-Y136 AromaticContact CD2-CD1 3.7Å; F131-Y136 HydrophobicContact CD2-CD1 3.7Å; F131-Y136 HydrophobicContact CD2-CE1 4.01Å; F131-Y136 HydrophobicContact CE1-CE1 4.36Å; F131-Y136 AromaticContact CE2-CD1 3.76Å; F131-Y136 HydrophobicContact CE2-CD1 3.76Å; F131-Y136 AromaticContact CE2-CE1 3.87Å; F131-Y136 HydrophobicContact CE2-CE1 3.87Å; F131-Y136 HydrophobicContact CG-CD1 4.31Å; F131-Y136 HydrophobicContact CG-CE1 4.33Å; F131-Y136 HydrophobicContact CZ-CD1 4.42Å; F131-Y136 HydrophobicContact CZ-CE1 4.06Å; F131-A139 HydrophobicContact CB-CB 4.03Å; F131-A167 HydrophobicContact CE2-CB 3.91Å; F131-A167 HydrophobicContact CZ-CB 4.12Å; F131-A168 HydrophobicContact CD2-CB 4.09Å; F131-A168 HydrophobicContact CE2-CB 4.33Å; F131-K171 HydrophobicContact CE2-CG 4.02Å; F131-K171 HydrophobicContact CZ-CG 3.93Å
132	K	97.8	Very high	98.1	Very high	137 Å²	137	59.4 Å²	59.4	60%	0.596	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-29.6	176	-75.7	171.7	-176.9	177	0	113.2	F63 N128 E129 Q130 G134	F63-K132 HydrophobicContact CD2-CD 4.44Å; F63-K132 HydrophobicContact CD2-CG 4.28Å; F63-K132 HydrophobicContact CE2-CD 3.99Å; F63-K132 HydrophobicContact CE2-CG 3.46Å; F63-K132 VanDerWaalsContact CE2-CG 3.46Å; F63-K132 HydrophobicContact CZ-CG 3.9Å; N128-K132 VanDerWaalsContact O-CG 3.28Å; N128-K132 WeakPolarHBondContact O-CG 3.39Å; N128-K132 PolarHBondContact O-N 3.22Å; E129-K132 PolarHBondContact O-N 3.31Å; Q130-K132 VanDerWaalsContact C-N 3.32Å; Q130-K132 PolarHBondContact O-N 2.93Å; K132-G134 VanDerWaalsContact C-N 3.31Å
133	K	97.7	Very high	98.1	Very high	144 Å²	144	55.7 Å²	55.7	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-79.9	-12.6	176.7	-70.9	169.8	-177.3	171.9	0	113.3	E129 Q130 F131	E129-K133 WeakPolarHBondContact O-CG 3.46Å; E129-K133 PolarHBondContact O-N 2.93Å; E129-K133 VanDerWaalsContact O-N 3.15Å; Q130-K133 WeakPolarHBondContact O-CB 3.44Å; Q130-K133 PolarHBondContact O-N 2.91Å; F131-K133 PolarHBondContact O-N 3.32Å
134	G	96.9	Very high	98.1	Very high	33 Å²	33	55.4 Å²	55.4	34%	0.34	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	3	-172.6	0	0	0	0	0	113.9	Q130 F131 K132 Y136	Q130-G134 PolarHBondContact O-N 2.98Å; F131-G134 PolarHBondContact O-N 3.22Å; F131-G134 VanDerWaalsContact O-N 3.1Å; K132-G134 VanDerWaalsContact C-N 3.31Å; G134-Y136 VanDerWaalsContact O-CD2 3.28Å; G134-Y136 WeakPolarHBondContact O-CD2 3.44Å; G134-Y136 PolarHBondContact O-N 3.17Å
135	D	98	Very high	98	Very high	67 Å²	67	57.9 Å²	57.9	36%	0.358	29%	0.285	S	S	.	.			trans	-80.2	65.6	178.9	-61.5	-27.9	0	0	0	109.5	Q130 G137 E138 A139	Q130-D135 HydrophobicContact CB-CB 4.17Å; Q130-D135 PolarHBondContact O-N 2.89Å; D135-G137 PolarHBondContact O-N 3.11Å; D135-E138 HydrophobicContact CB-CB 4.4Å; D135-E138 WeakPolarHBondContact CB-OE2 3.2Å; D135-E138 PolarHBondContact O-N 2.71Å; D135-A139 WeakPolarHBondContact O-CB 3.25Å; D135-A139 PolarHBondContact O-N 3.42Å
136	Y	98.1	Very high	98	Very high	71 Å²	71	53.8 Å²	53.8	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-68.1	-32.8	-169	-56.7	-55.5	0	0	0	113.5	F131 G134 A139 E140 K171 Q172	F131-Y136 HydrophobicContact CD1-CE1 4.5Å; F131-Y136 AromaticContact CD2-CD1 3.7Å; F131-Y136 HydrophobicContact CD2-CD1 3.7Å; F131-Y136 HydrophobicContact CD2-CE1 4.01Å; F131-Y136 HydrophobicContact CE1-CE1 4.36Å; F131-Y136 AromaticContact CE2-CD1 3.76Å; F131-Y136 HydrophobicContact CE2-CD1 3.76Å; F131-Y136 AromaticContact CE2-CE1 3.87Å; F131-Y136 HydrophobicContact CE2-CE1 3.87Å; F131-Y136 HydrophobicContact CG-CD1 4.31Å; F131-Y136 HydrophobicContact CG-CE1 4.33Å; F131-Y136 HydrophobicContact CZ-CD1 4.42Å; F131-Y136 HydrophobicContact CZ-CE1 4.06Å; G134-Y136 VanDerWaalsContact O-CD2 3.28Å; G134-Y136 WeakPolarHBondContact O-CD2 3.44Å; G134-Y136 PolarHBondContact O-N 3.17Å; Y136-A139 PolarHBondContact O-N 2.93Å; Y136-E140 WeakPolarHBondContact O-CB 3.48Å; Y136-E140 PolarHBondContact O-N 2.93Å; Y136-K171 HydrophobicContact CD1-CB 3.72Å; Y136-K171 HydrophobicContact CD1-CG 4.02Å; Y136-K171 HydrophobicContact CD2-CB 3.57Å; Y136-K171 HydrophobicContact CD2-CG 4.48Å; Y136-K171 HydrophobicContact CE1-CB 3.81Å; Y136-K171 HydrophobicContact CE1-CD 4.43Å; Y136-K171 HydrophobicContact CE1-CG 3.7Å; Y136-K171 HydrophobicContact CE2-CB 3.64Å; Y136-K171 HydrophobicContact CE2-CD 4.5Å; Y136-K171 HydrophobicContact CE2-CG 4.18Å; Y136-K171 HydrophobicContact CG-CB 3.61Å; Y136-K171 HydrophobicContact CG-CG 4.41Å; Y136-Q172 PolarHBondContact O-NE2 2.74Å
137	G	98	Very high	97.8	Very high	29 Å²	29	48.9 Å²	48.9	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-47.1	176.2	0	0	0	0	0	111.5	D135 A139 E140 D141	D135-G137 PolarHBondContact O-N 3.11Å; G137-A139 VanDerWaalsContact C-N 3.31Å; G137-A139 PolarHBondContact O-N 2.93Å; G137-E140 WeakPolarHBondContact O-CB 3.38Å; G137-E140 PolarHBondContact O-N 3.27Å; G137-D141 PolarHBondContact O-N 2.75Å; G137-D141 VanDerWaalsContact O-N 3.08Å
138	E	98.1	Very high	97.6	Very high	97 Å²	97	53.5 Å²	53.5	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-66.6	-34.6	176.5	-63	88.5	162	0	0	112.3	Q130 D135 D141 S142	Q130-E138 HydrophobicContact CG-CB 4.32Å; Q130-E138 PolarHBondContact OE1-O 2.75Å; D135-E138 HydrophobicContact CB-CB 4.4Å; D135-E138 WeakPolarHBondContact CB-OE2 3.2Å; D135-E138 PolarHBondContact O-N 2.71Å; E138-D141 PolarHBondContact O-N 2.86Å; E138-S142 PolarHBondContact O-N 3.1Å; E138-S142 PolarHBondContact O-OG 3.36Å
139	A	98.4	Very high	97.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-46.8	173.2	0	0	0	0	0	111.3	G127 Q130 F131 D135 Y136 G137 D141 S142 Y143 A168	G127-A139 WeakPolarHBondContact O-CB 3.34Å; Q130-A139 HydrophobicContact CB-CB 3.93Å; F131-A139 HydrophobicContact CB-CB 4.03Å; D135-A139 WeakPolarHBondContact O-CB 3.25Å; D135-A139 PolarHBondContact O-N 3.42Å; Y136-A139 PolarHBondContact O-N 2.93Å; G137-A139 VanDerWaalsContact C-N 3.31Å; G137-A139 PolarHBondContact O-N 2.93Å; A139-D141 VanDerWaalsContact C-N 3.3Å; A139-D141 PolarHBondContact O-N 2.89Å; A139-S142 PolarHBondContact O-N 2.92Å; A139-Y143 HydrophobicContact CB-CD2 4.5Å; A139-Y143 HydrophobicContact CB-CE2 3.97Å; A139-Y143 WeakPolarHBondContact O-CD2 3.41Å; A139-Y143 PolarHBondContact O-N 3.28Å; A139-A168 HydrophobicContact CB-CB 4.29Å
140	E	98.4	Very high	97.1	Very high	30 Å²	30	49.5 Å²	49.5	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-56	-44	175.1	-179.5	-179.1	-179.3	0	0	111.9	Y136 G137 Y143 T144 R165 A168 K169 Q172 K174	Y136-E140 WeakPolarHBondContact O-CB 3.48Å; Y136-E140 PolarHBondContact O-N 2.93Å; G137-E140 WeakPolarHBondContact O-CB 3.38Å; G137-E140 PolarHBondContact O-N 3.27Å; E140-Y143 PolarHBondContact O-N 3.22Å; E140-T144 WeakPolarHBondContact O-CB 3.38Å; E140-T144 PolarHBondContact O-N 2.88Å; E140-T144 PolarHBondContact O-OG1 3.25Å; E140-R165 HydrophobicContact CG-CG 3.96Å; E140-A168 HydrophobicContact CB-CB 4.21Å; E140-K169 HydrophobicContact CG-CG 4.32Å; E140-K169 WeakPolarHBondContact OE1-CE 3.22Å; E140-Q172 PolarHBondContact OE2-NE2 3.44Å; E140-Q172 PolarHBondContact OE2-OE1 3.02Å; E140-K174 IonicContact OE1-NZ 3.18Å; E140-K174 IonicContact OE2-NZ 2.71Å; E140-K174 PolarHBondContact OE2-NZ 2.99Å
141	D	98	Very high	96.9	Very high	91 Å²	91	48.1 Å²	48.1	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-43.9	176.6	-78.3	-15.8	0	0	0	112.4	G137 E138 A139 T144 K145	G137-D141 PolarHBondContact O-N 2.75Å; G137-D141 VanDerWaalsContact O-N 3.08Å; E138-D141 PolarHBondContact O-N 2.86Å; A139-D141 VanDerWaalsContact C-N 3.3Å; A139-D141 PolarHBondContact O-N 2.89Å; D141-T144 PolarHBondContact O-N 2.92Å; D141-K145 WeakPolarHBondContact O-CG 3.49Å; D141-K145 PolarHBondContact O-N 3.08Å
142	S	98.4	Very high	96.5	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-43.2	178.3	-70.6	0	0	0	0	111.8	Q130 E138 A139 T144 K145 A146	Q130-S142 PolarHBondContact OE1-OG 3.28Å; E138-S142 PolarHBondContact O-N 3.1Å; E138-S142 PolarHBondContact O-OG 3.36Å; A139-S142 PolarHBondContact O-N 2.92Å; S142-T144 VanDerWaalsContact C-N 3.33Å; S142-T144 PolarHBondContact O-N 3.32Å; S142-K145 PolarHBondContact O-N 2.98Å; S142-A146 WeakPolarHBondContact O-CB 3.22Å; S142-A146 PolarHBondContact O-N 3.2Å
143	Y	98.4	Very high	96.2	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-36.6	174.5	-61	-49.4	0	0	0	112.3	K124 G127 N128 A139 E140 A146 L147 L161 N164 R165 A168	K124-Y143 HydrophobicContact CG-CE1 4.42Å; G127-Y143 VanDerWaalsContact C-CZ 3.5Å; G127-Y143 VanDerWaalsContact C-OH 3.23Å; G127-Y143 PolarHBondContact O-OH 3.23Å; N128-Y143 VanDerWaalsContact CA-OH 3.32Å; N128-Y143 WeakPolarHBondContact CA-OH 3.29Å; N128-Y143 PolarHBondContact N-OH 3.18Å; N128-Y143 WeakPolarHBondContact OD1-CE1 3.41Å; N128-Y143 PolarHBondContact OD1-OH 3.47Å; A139-Y143 HydrophobicContact CB-CD2 4.5Å; A139-Y143 HydrophobicContact CB-CE2 3.97Å; A139-Y143 WeakPolarHBondContact O-CD2 3.41Å; A139-Y143 PolarHBondContact O-N 3.28Å; E140-Y143 PolarHBondContact O-N 3.22Å; Y143-A146 WeakPolarHBondContact O-CB 3.31Å; Y143-A146 PolarHBondContact O-N 3Å; Y143-L147 WeakPolarHBondContact O-CG 3.26Å; Y143-L147 PolarHBondContact O-N 3.44Å; Y143-L161 HydrophobicContact CD1-CD2 4.37Å; Y143-N164 HydrophobicContact CD1-CB 4.02Å; Y143-N164 HydrophobicContact CD2-CB 4.24Å; Y143-N164 HydrophobicContact CE1-CB 3.68Å; Y143-N164 HydrophobicContact CE2-CB 3.91Å; Y143-N164 WeakPolarHBondContact CE2-O 3.32Å; Y143-N164 HydrophobicContact CG-CB 4.3Å; Y143-R165 HydrophobicContact CD2-CB 4.21Å; Y143-R165 HydrophobicContact CG-CB 4.38Å; Y143-A168 HydrophobicContact CD2-CB 4.45Å; Y143-A168 HydrophobicContact CE2-CB 4.3Å
144	T	97.8	Very high	96.1	Very high	30 Å²	30	38.8 Å²	38.8	18%	0.184	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-42.5	176.1	-62.6	0	0	0	0	111.6	E140 D141 S142 L147 Q148 R165	E140-T144 WeakPolarHBondContact O-CB 3.38Å; E140-T144 PolarHBondContact O-N 2.88Å; E140-T144 PolarHBondContact O-OG1 3.25Å; D141-T144 PolarHBondContact O-N 2.92Å; S142-T144 VanDerWaalsContact C-N 3.33Å; S142-T144 PolarHBondContact O-N 3.32Å; T144-L147 PolarHBondContact O-N 3.34Å; T144-Q148 WeakPolarHBondContact O-CG 3.31Å; T144-Q148 PolarHBondContact O-N 2.97Å; T144-R165 WeakPolarHBondContact OG1-CD 3.42Å; T144-R165 PolarHBondContact OG1-NH1 3.21Å; T144-R165 VanDerWaalsContact OG1-NH1 3.09Å
145	K	96.7	Very high	96	Very high	105 Å²	105	42.5 Å²	42.5	46%	0.457	22%	0.218	S	C	.	.	H	α-helix	trans	-64.7	-40	173.4	-70.6	168.2	-175.1	166.6	0	111.8	L123 D141 S142 L147 Q148 I149	L123-K145 HydrophobicContact CD1-CB 4.11Å; D141-K145 WeakPolarHBondContact O-CG 3.49Å; D141-K145 PolarHBondContact O-N 3.08Å; S142-K145 PolarHBondContact O-N 2.98Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 2.76Å; K145-Q148 WeakPolarHBondContact O-CB 3.19Å; K145-Q148 PolarHBondContact O-N 3.09Å; K145-I149 PolarHBondContact O-N 3.21Å; K145-I149 VanDerWaalsContact O-N 3.16Å
146	A	97.3	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-43.4	174.1	0	0	0	0	0	111.3	S120 L123 S142 Y143 Q148 I149 C150 L161	S120-A146 PolarHBondContact OG-O 3.1Å; L123-A146 HydrophobicContact CB-CB 3.79Å; S142-A146 WeakPolarHBondContact O-CB 3.22Å; S142-A146 PolarHBondContact O-N 3.2Å; Y143-A146 WeakPolarHBondContact O-CB 3.31Å; Y143-A146 PolarHBondContact O-N 3Å; A146-Q148 VanDerWaalsContact C-N 3.34Å; A146-Q148 PolarHBondContact O-N 3.04Å; A146-I149 PolarHBondContact O-N 3.15Å; A146-C150 WeakPolarHBondContact O-CB 3.3Å; A146-C150 PolarHBondContact O-N 3.33Å; A146-L161 HydrophobicContact CB-CD1 3.96Å; A146-L161 HydrophobicContact CB-CD2 3.53Å; A146-L161 HydrophobicContact CB-CG 4.39Å
147	L	95.4	Very high	95.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-33.9	176.2	-78.4	165.5	0	0	0	113.8	Y143 T144 K145 I149 R158 L161 F162	Y143-L147 WeakPolarHBondContact O-CG 3.26Å; Y143-L147 PolarHBondContact O-N 3.44Å; T144-L147 PolarHBondContact O-N 3.34Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 2.76Å; L147-I149 VanDerWaalsContact C-N 3.33Å; L147-R158 HydrophobicContact CD2-CB 4.36Å; L147-R158 PolarHBondContact O-NH1 3.17Å; L147-L161 HydrophobicContact CD1-CB 4.38Å; L147-L161 HydrophobicContact CD2-CB 3.57Å; L147-L161 HydrophobicContact CD2-CD1 3.93Å; L147-L161 HydrophobicContact CD2-CG 4.41Å; L147-L161 HydrophobicContact CG-CB 3.72Å; L147-L161 HydrophobicContact CG-CD1 4.09Å; L147-F162 HydrophobicContact CD1-CD1 3.83Å; L147-F162 HydrophobicContact CD1-CE1 3.81Å; L147-F162 HydrophobicContact CD1-CG 4.25Å; L147-F162 HydrophobicContact CD1-CZ 4.2Å; L147-F162 HydrophobicContact CD2-CD1 4.4Å; L147-F162 HydrophobicContact CD2-CD2 3.77Å; L147-F162 HydrophobicContact CD2-CE1 4.29Å; L147-F162 HydrophobicContact CD2-CE2 3.61Å; L147-F162 HydrophobicContact CD2-CG 4.16Å; L147-F162 HydrophobicContact CD2-CZ 3.89Å
148	Q	92.9	Very high	95.8	Very high	96 Å²	96	43.9 Å²	43.9	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-67.7	-33.9	175.6	-75.9	168.1	-3.2	0	0	112.4	L96 T144 K145 A146	L96-Q148 HydrophobicContact CD1-CB 4.42Å; L96-Q148 HydrophobicContact CD1-CG 3.75Å; T144-Q148 WeakPolarHBondContact O-CG 3.31Å; T144-Q148 PolarHBondContact O-N 2.97Å; K145-Q148 WeakPolarHBondContact O-CB 3.19Å; K145-Q148 PolarHBondContact O-N 3.09Å; A146-Q148 VanDerWaalsContact C-N 3.34Å; A146-Q148 PolarHBondContact O-N 3.04Å
149	I	92.8	Very high	95.8	Very high	52 Å²	52	39.3 Å²	39.3	27%	0.267	19%	0.194	S	C	.	.	H	α-helix	trans	-90.7	-33.1	-177.6	-67.7	161.6	0	0	0	111.2	R116 E119 L123 K145 A146 L147 P151	R116-I149 HydrophobicContact CB-CG2 4.06Å; R116-I149 HydrophobicContact CG-CG2 4.45Å; R116-I149 WeakPolarHBondContact O-CG2 3.38Å; E119-I149 HydrophobicContact CB-CG2 4.03Å; L123-I149 HydrophobicContact CD1-CD1 3.38Å; K145-I149 PolarHBondContact O-N 3.21Å; K145-I149 VanDerWaalsContact O-N 3.16Å; A146-I149 PolarHBondContact O-N 3.15Å; L147-I149 VanDerWaalsContact C-N 3.33Å; I149-P151 WeakPolarHBondContact O-CD 3.45Å
150	C	93.7	Very high	95.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	21%	0.207	C	C	.	.	S	Bend	trans	-63.3	117.9	-177.5	-165.6	0	0	0	0	111.2	S120 A146 A152 R158 L161	S120-C150 WeakPolarHBondContact OG-CB 3.36Å; A146-C150 WeakPolarHBondContact O-CB 3.3Å; A146-C150 PolarHBondContact O-N 3.33Å; C150-A152 PolarHBondContact O-N 3.26Å; C150-R158 HydrophobicContact CB-CG 4.11Å; C150-R158 PolarHBondContact O-NH1 3.12Å; C150-L161 HydrophobicContact CB-CD1 3.92Å
151	P	93.6	Very high	95.8	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.2	C	C	.	.			trans	-58.2	140	177.3	-25	34.7	0	0	0	112.3	E105 K113 R116 I149 C153 F154 R158	E105-P151 WeakPolarHBondContact OE1-CA 3.34Å; K113-P151 HydrophobicContact CB-CG 4.24Å; R116-P151 HydrophobicContact CB-CG 3.9Å; I149-P151 WeakPolarHBondContact O-CD 3.45Å; P151-C153 PolarHBondContact O-N 3.43Å; P151-F154 HydrophobicContact CB-CD2 3.72Å; P151-F154 HydrophobicContact CB-CE2 3.92Å; P151-F154 HydrophobicContact CG-CD2 3.88Å; P151-F154 HydrophobicContact CG-CE2 3.84Å; P151-F154 PolarHBondContact O-N 2.99Å; P151-R158 WeakPolarHBondContact O-CD 3.28Å
152	A	91.2	Very high	95.8	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.1	179.8	0	0	0	0	0	112.6	L101 L102 E105 C150 F154	L101-A152 HydrophobicContact CB-CB 4.44Å; L102-A152 HydrophobicContact CD2-CB 3.75Å; L102-A152 HydrophobicContact CG-CB 4.14Å; E105-A152 PolarHBondContact OE1-N 2.91Å; E105-A152 WeakPolarHBondContact OE2-CB 3.21Å; E105-A152 PolarHBondContact OE2-N 3.14Å; C150-A152 PolarHBondContact O-N 3.26Å; A152-F154 PolarHBondContact O-N 3.26Å
153	C	91.3	Very high	95.8	Very high	64 Å²	64	36.3 Å²	36.3	43%	0.432	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.1	175.2	66.1	0	0	0	0	114	E105 P151 Q155	E105-C153 PolarHBondContact OE2-N 3.06Å; P151-C153 PolarHBondContact O-N 3.43Å; C153-Q155 VanDerWaalsContact C-N 3.31Å; C153-Q155 PolarHBondContact O-N 3.43Å; C153-Q155 VanDerWaalsContact O-N 3.15Å
154	F	94.2	Very high	95.8	Very high	31 Å²	31	36.7 Å²	36.7	14%	0.136	18%	0.182	C	C	.	.			trans	-89.9	62.6	177.5	-58.8	-65.3	0	0	0	111.8	K113 R117 P151 A152 K156 D157 R158	K113-F154 HydrophobicContact CB-CE2 4.11Å; K113-F154 HydrophobicContact CB-CZ 4.4Å; R117-F154 HydrophobicContact CB-CD2 4Å; R117-F154 HydrophobicContact CB-CE2 3.79Å; R117-F154 HydrophobicContact CB-CZ 4.37Å; R117-F154 HydrophobicContact CG-CD2 4.03Å; R117-F154 HydrophobicContact CG-CE2 4.16Å; R117-F154 HydrophobicContact CG-CG 4.28Å; P151-F154 HydrophobicContact CB-CD2 3.72Å; P151-F154 HydrophobicContact CB-CE2 3.92Å; P151-F154 HydrophobicContact CG-CD2 3.88Å; P151-F154 HydrophobicContact CG-CE2 3.84Å; P151-F154 PolarHBondContact O-N 2.99Å; A152-F154 PolarHBondContact O-N 3.26Å; F154-K156 VanDerWaalsContact C-N 3.31Å; F154-K156 PolarHBondContact O-N 3.49Å; F154-D157 HydrophobicContact CB-CB 4.21Å; F154-D157 PolarHBondContact O-N 3.18Å; F154-D157 VanDerWaalsContact O-N 3.13Å; F154-R158 WeakPolarHBondContact O-CG 3.47Å; F154-R158 PolarHBondContact O-N 3.03Å
155	Q	95.2	Very high	95.8	Very high	110 Å²	110	36.7 Å²	36.7	51%	0.514	18%	0.178	S	C	.	.	H	α-helix	trans	-53.5	-43.4	-174.7	-65.5	177.5	-6.5	0	0	113.4	C153 D157 R158 A159 L188	C153-Q155 VanDerWaalsContact C-N 3.31Å; C153-Q155 PolarHBondContact O-N 3.43Å; C153-Q155 VanDerWaalsContact O-N 3.15Å; Q155-D157 PolarHBondContact O-N 3.43Å; Q155-R158 PolarHBondContact O-N 3.21Å; Q155-A159 WeakPolarHBondContact O-CB 3.47Å; Q155-A159 PolarHBondContact O-N 2.96Å; Q155-L188 HydrophobicContact CB-CB 4.47Å; Q155-L188 HydrophobicContact CB-CD2 4.22Å; Q155-L188 HydrophobicContact CG-CD2 4.13Å
156	K	96.5	Very high	95.9	Very high	146 Å²	146	31.7 Å²	31.7	64%	0.635	16%	0.157	S	C	*	.	H	α-helix	trans	-63.6	-41.8	179.2	-66.4	-173.9	177.1	-176.8	0	113.1	F154 R158 A159 V160	F154-K156 VanDerWaalsContact C-N 3.31Å; F154-K156 PolarHBondContact O-N 3.49Å; K156-R158 VanDerWaalsContact C-N 3.33Å; K156-A159 WeakPolarHBondContact O-CB 3.27Å; K156-A159 PolarHBondContact O-N 2.67Å; K156-V160 WeakPolarHBondContact O-CG2 3.45Å; K156-V160 PolarHBondContact O-N 2.82Å; K156-V160 VanDerWaalsContact O-N 3.12Å
157	D	96.5	Very high	96	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.23	16%	0.158	C	C	.	.	H	α-helix	trans	-68	-39.1	178.1	-63.2	-23.8	0	0	0	110.6	R117 F154 Q155 V160 L161	R117-D157 IonicContact CZ-OD2 3.31Å; R117-D157 IonicContact NE-OD2 3.36Å; R117-D157 PolarHBondContact NE-OD2 2.86Å; R117-D157 IonicContact NH2-OD1 2.75Å; R117-D157 PolarHBondContact NH2-OD1 2.92Å; R117-D157 IonicContact NH2-OD2 3.77Å; R117-D157 PolarHBondContact NH2-OD2 3.29Å; F154-D157 HydrophobicContact CB-CB 4.21Å; F154-D157 PolarHBondContact O-N 3.18Å; F154-D157 VanDerWaalsContact O-N 3.13Å; Q155-D157 PolarHBondContact O-N 3.43Å; D157-V160 WeakPolarHBondContact O-CB 3.47Å; D157-V160 PolarHBondContact O-N 3.26Å; D157-L161 WeakPolarHBondContact O-CG 3.48Å; D157-L161 PolarHBondContact O-N 3.35Å
158	R	97.1	Very high	96.1	Very high	8 Å²	8	31.7 Å²	31.7	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-41.5	173.9	-67.2	175.5	65.5	77.7	3.1	111.6	L147 C150 P151 F154 Q155 K156 V160 L161 F162 L188	L147-R158 HydrophobicContact CD2-CB 4.36Å; L147-R158 PolarHBondContact O-NH1 3.17Å; C150-R158 HydrophobicContact CB-CG 4.11Å; C150-R158 PolarHBondContact O-NH1 3.12Å; P151-R158 WeakPolarHBondContact O-CD 3.28Å; F154-R158 WeakPolarHBondContact O-CG 3.47Å; F154-R158 PolarHBondContact O-N 3.03Å; Q155-R158 PolarHBondContact O-N 3.21Å; K156-R158 VanDerWaalsContact C-N 3.33Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.02Å; R158-L161 WeakPolarHBondContact O-CB 3.46Å; R158-L161 PolarHBondContact O-N 3.5Å; R158-L161 VanDerWaalsContact O-N 3.13Å; R158-F162 HydrophobicContact CB-CE2 4.49Å; R158-F162 WeakPolarHBondContact O-CD2 3.35Å; R158-F162 PolarHBondContact O-N 3.02Å; R158-L188 HydrophobicContact CB-CD1 3.81Å
159	A	97.9	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-43.2	174.9	0	0	0	0	0	111.9	Q155 K156 F162 S163 A185 L188 D189 Y192	Q155-A159 WeakPolarHBondContact O-CB 3.47Å; Q155-A159 PolarHBondContact O-N 2.96Å; K156-A159 WeakPolarHBondContact O-CB 3.27Å; K156-A159 PolarHBondContact O-N 2.67Å; A159-F162 PolarHBondContact O-N 2.91Å; A159-S163 PolarHBondContact O-N 3.19Å; A159-A185 HydrophobicContact CB-CB 4.46Å; A159-A185 WeakPolarHBondContact CB-O 3.36Å; A159-A185 WeakPolarHBondContact O-CB 3.3Å; A159-L188 HydrophobicContact CB-CB 3.93Å; A159-D189 HydrophobicContact CB-CB 3.78Å; A159-Y192 HydrophobicContact CB-CD1 4.28Å
160	V	98.2	Very high	96.6	Very high	43 Å²	43	27 Å²	27	26%	0.261	13%	0.134	S	C	.	.	H	α-helix	trans	-60.7	-45.5	173.8	174.3	0	0	0	0	111.4	K124 K156 D157 R158 S163 N164 Y192	K124-V160 HydrophobicContact CD-CG1 4.38Å; K156-V160 WeakPolarHBondContact O-CG2 3.45Å; K156-V160 PolarHBondContact O-N 2.82Å; K156-V160 VanDerWaalsContact O-N 3.12Å; D157-V160 WeakPolarHBondContact O-CB 3.47Å; D157-V160 PolarHBondContact O-N 3.26Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.02Å; V160-S163 PolarHBondContact O-N 3.44Å; V160-N164 WeakPolarHBondContact O-CB 3.11Å; V160-N164 PolarHBondContact O-N 2.84Å; V160-Y192 HydrophobicContact CG2-CE1 4.22Å; V160-Y192 HydrophobicContact CG2-CE2 4.49Å
161	L	98.3	Very high	96.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-45	178.8	-70.4	171.8	0	0	0	112.8	K124 Y143 A146 L147 C150 D157 R158 N164 R165	K124-L161 HydrophobicContact CB-CD2 3.7Å; K124-L161 HydrophobicContact CD-CD2 4.38Å; K124-L161 HydrophobicContact CG-CD2 3.81Å; Y143-L161 HydrophobicContact CD1-CD2 4.37Å; A146-L161 HydrophobicContact CB-CD1 3.96Å; A146-L161 HydrophobicContact CB-CD2 3.53Å; A146-L161 HydrophobicContact CB-CG 4.39Å; L147-L161 HydrophobicContact CD1-CB 4.38Å; L147-L161 HydrophobicContact CD2-CB 3.57Å; L147-L161 HydrophobicContact CD2-CD1 3.93Å; L147-L161 HydrophobicContact CD2-CG 4.41Å; L147-L161 HydrophobicContact CG-CB 3.72Å; L147-L161 HydrophobicContact CG-CD1 4.09Å; C150-L161 HydrophobicContact CB-CD1 3.92Å; D157-L161 WeakPolarHBondContact O-CG 3.48Å; D157-L161 PolarHBondContact O-N 3.35Å; R158-L161 WeakPolarHBondContact O-CB 3.46Å; R158-L161 PolarHBondContact O-N 3.5Å; R158-L161 VanDerWaalsContact O-N 3.13Å; L161-N164 PolarHBondContact O-N 3.49Å; L161-R165 WeakPolarHBondContact O-CB 3.4Å; L161-R165 PolarHBondContact O-N 3.34Å
162	F	98.5	Very high	97	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.088	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-45.3	174.9	-80.3	-66.9	0	0	0	111.2	L147 R158 A159 N164 R165 A166 D181 K184 A185 L188	L147-F162 HydrophobicContact CD1-CD1 3.83Å; L147-F162 HydrophobicContact CD1-CE1 3.81Å; L147-F162 HydrophobicContact CD1-CG 4.25Å; L147-F162 HydrophobicContact CD1-CZ 4.2Å; L147-F162 HydrophobicContact CD2-CD1 4.4Å; L147-F162 HydrophobicContact CD2-CD2 3.77Å; L147-F162 HydrophobicContact CD2-CE1 4.29Å; L147-F162 HydrophobicContact CD2-CE2 3.61Å; L147-F162 HydrophobicContact CD2-CG 4.16Å; L147-F162 HydrophobicContact CD2-CZ 3.89Å; R158-F162 HydrophobicContact CB-CE2 4.49Å; R158-F162 WeakPolarHBondContact O-CD2 3.35Å; R158-F162 PolarHBondContact O-N 3.02Å; A159-F162 PolarHBondContact O-N 2.91Å; F162-N164 PolarHBondContact O-N 2.87Å; F162-R165 PolarHBondContact O-N 3.37Å; F162-A166 WeakPolarHBondContact O-CB 3.45Å; F162-A166 PolarHBondContact O-N 2.93Å; F162-D181 HydrophobicContact CD1-CB 4.41Å; F162-K184 HydrophobicContact CD1-CB 4.29Å; F162-K184 HydrophobicContact CD1-CG 4.32Å; F162-K184 HydrophobicContact CD2-CB 4.44Å; F162-K184 HydrophobicContact CD2-CG 3.96Å; F162-K184 HydrophobicContact CE1-CB 4.37Å; F162-K184 HydrophobicContact CE1-CG 4.02Å; F162-K184 HydrophobicContact CE2-CG 3.66Å; F162-K184 HydrophobicContact CG-CB 4.33Å; F162-K184 HydrophobicContact CG-CG 4.3Å; F162-K184 HydrophobicContact CZ-CG 3.69Å; F162-A185 HydrophobicContact CB-CB 3.85Å; F162-L188 HydrophobicContact CD2-CD1 3.64Å; F162-L188 HydrophobicContact CE2-CD1 3.65Å
163	S	98.5	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-38	177.2	-173.6	0	0	0	0	113.2	A159 V160 A166 A167 R198	A159-S163 PolarHBondContact O-N 3.19Å; V160-S163 PolarHBondContact O-N 3.44Å; S163-A166 WeakPolarHBondContact O-CB 3.37Å; S163-A166 PolarHBondContact O-N 3.47Å; S163-A167 PolarHBondContact O-N 3.43Å; S163-R198 PolarHBondContact O-NE 2.87Å; S163-R198 PolarHBondContact OG-NE 2.95Å
164	N	98.4	Very high	97.5	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-69.9	-38.3	176.6	-75.2	1.9	0	0	0	111.9	N128 Y143 V160 L161 F162 A167 A168	N128-N164 PolarHBondContact OD1-ND2 3.01Å; N128-N164 VanDerWaalsContact OD1-ND2 3.13Å; Y143-N164 HydrophobicContact CD1-CB 4.02Å; Y143-N164 HydrophobicContact CD2-CB 4.24Å; Y143-N164 HydrophobicContact CE1-CB 3.68Å; Y143-N164 HydrophobicContact CE2-CB 3.91Å; Y143-N164 WeakPolarHBondContact CE2-O 3.32Å; Y143-N164 HydrophobicContact CG-CB 4.3Å; V160-N164 WeakPolarHBondContact O-CB 3.11Å; V160-N164 PolarHBondContact O-N 2.84Å; L161-N164 PolarHBondContact O-N 3.49Å; F162-N164 PolarHBondContact O-N 2.87Å; N164-A167 VanDerWaalsContact O-CB 3.32Å; N164-A167 WeakPolarHBondContact O-CB 3.4Å; N164-A167 PolarHBondContact O-N 3.02Å; N164-A168 PolarHBondContact O-N 3.01Å; N164-A168 VanDerWaalsContact O-N 3.12Å
165	R	98.6	Very high	97.6	Very high	29 Å²	29	40.2 Å²	40.2	11%	0.109	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-39.7	172.6	-166.9	172.7	67	177.4	0	111.8	E140 Y143 T144 L161 F162 A167 A168 K169 D181	E140-R165 HydrophobicContact CG-CG 3.96Å; Y143-R165 HydrophobicContact CD2-CB 4.21Å; Y143-R165 HydrophobicContact CG-CB 4.38Å; T144-R165 WeakPolarHBondContact OG1-CD 3.42Å; T144-R165 PolarHBondContact OG1-NH1 3.21Å; T144-R165 VanDerWaalsContact OG1-NH1 3.09Å; L161-R165 WeakPolarHBondContact O-CB 3.4Å; L161-R165 PolarHBondContact O-N 3.34Å; F162-R165 PolarHBondContact O-N 3.37Å; R165-A167 VanDerWaalsContact C-N 3.3Å; R165-A167 PolarHBondContact O-N 3.31Å; R165-A168 WeakPolarHBondContact O-CB 3.49Å; R165-A168 PolarHBondContact O-N 3.4Å; R165-K169 HydrophobicContact CG-CD 4.44Å; R165-K169 WeakPolarHBondContact O-CG 3.42Å; R165-K169 PolarHBondContact O-N 3.3Å; R165-D181 WeakPolarHBondContact CG-OD2 3.48Å; R165-D181 IonicContact CZ-OD1 2.82Å; R165-D181 IonicContact CZ-OD2 3.75Å; R165-D181 IonicContact NE-OD1 3.68Å; R165-D181 PolarHBondContact NE-OD1 2.98Å; R165-D181 IonicContact NE-OD2 2.74Å; R165-D181 PolarHBondContact NE-OD2 2.98Å; R165-D181 IonicContact NH2-OD1 2.98Å; R165-D181 PolarHBondContact NH2-OD1 2.81Å; R165-D181 IonicContact NH2-OD2 2.81Å
166	A	98.4	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-43.7	172.3	0	0	0	0	0	111.2	F162 S163 A168 K169 M170 A178 D181 C182	F162-A166 WeakPolarHBondContact O-CB 3.45Å; F162-A166 PolarHBondContact O-N 2.93Å; S163-A166 WeakPolarHBondContact O-CB 3.37Å; S163-A166 PolarHBondContact O-N 3.47Å; A166-A168 VanDerWaalsContact C-N 3.35Å; A166-A168 PolarHBondContact O-N 3.24Å; A166-K169 CarbonylContact O-C 3.6Å; A166-K169 PolarHBondContact O-N 3.35Å; A166-M170 VanDerWaalsContact O-CG 3.26Å; A166-M170 WeakPolarHBondContact O-CG 3.39Å; A166-M170 PolarHBondContact O-N 3.42Å; A166-A178 HydrophobicContact CB-CB 4.41Å; A166-D181 HydrophobicContact CB-CB 3.74Å; A166-C182 WeakPolarHBondContact CB-SG 3.07Å
167	A	98.2	Very high	97.6	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.033	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-46	175.1	0	0	0	0	0	112.3	F131 S163 N164 R165 K169 M170 K171	F131-A167 HydrophobicContact CE2-CB 3.91Å; F131-A167 HydrophobicContact CZ-CB 4.12Å; S163-A167 PolarHBondContact O-N 3.43Å; N164-A167 VanDerWaalsContact O-CB 3.32Å; N164-A167 WeakPolarHBondContact O-CB 3.4Å; N164-A167 PolarHBondContact O-N 3.02Å; R165-A167 VanDerWaalsContact C-N 3.3Å; R165-A167 PolarHBondContact O-N 3.31Å; A167-K169 VanDerWaalsContact C-N 3.32Å; A167-K169 PolarHBondContact O-N 3.04Å; A167-M170 WeakPolarHBondContact O-CB 3.39Å; A167-M170 PolarHBondContact O-N 3.27Å; A167-K171 PolarHBondContact O-N 2.61Å
168	A	98.3	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-39.2	177	0	0	0	0	0	112	F131 A139 E140 Y143 N164 R165 A166 K171 Q172	F131-A168 HydrophobicContact CD2-CB 4.09Å; F131-A168 HydrophobicContact CE2-CB 4.33Å; A139-A168 HydrophobicContact CB-CB 4.29Å; E140-A168 HydrophobicContact CB-CB 4.21Å; Y143-A168 HydrophobicContact CD2-CB 4.45Å; Y143-A168 HydrophobicContact CE2-CB 4.3Å; N164-A168 PolarHBondContact O-N 3.01Å; N164-A168 VanDerWaalsContact O-N 3.12Å; R165-A168 WeakPolarHBondContact O-CB 3.49Å; R165-A168 PolarHBondContact O-N 3.4Å; A166-A168 VanDerWaalsContact C-N 3.35Å; A166-A168 PolarHBondContact O-N 3.24Å; A168-K171 PolarHBondContact O-N 3.41Å; A168-Q172 WeakPolarHBondContact O-CG 3.38Å; A168-Q172 PolarHBondContact O-N 3.12Å; A168-Q172 PolarHBondContact O-NE2 3.36Å; A168-Q172 VanDerWaalsContact O-NE2 3.08Å
169	K	98.4	Very high	97.8	Very high	19 Å²	19	33.7 Å²	33.7	8%	0.083	17%	0.169	C	C	.	.	H	α-helix	trans	-70	-37.1	175.8	-74.1	172.7	173.4	175	0	112.9	E140 R165 A166 A167 K171 Q172 D173 K174 A177 A178 D181	E140-K169 HydrophobicContact CG-CG 4.32Å; E140-K169 WeakPolarHBondContact OE1-CE 3.22Å; R165-K169 HydrophobicContact CG-CD 4.44Å; R165-K169 WeakPolarHBondContact O-CG 3.42Å; R165-K169 PolarHBondContact O-N 3.3Å; A166-K169 CarbonylContact O-C 3.6Å; A166-K169 PolarHBondContact O-N 3.35Å; A167-K169 VanDerWaalsContact C-N 3.32Å; A167-K169 PolarHBondContact O-N 3.04Å; K169-K171 VanDerWaalsContact C-N 3.3Å; K169-K171 PolarHBondContact O-N 2.89Å; K169-Q172 CarbonylContact O-C 3.48Å; K169-Q172 PolarHBondContact O-N 3.02Å; K169-D173 PolarHBondContact O-N 3.32Å; K169-K174 HydrophobicContact CB-CB 4.03Å; K169-K174 HydrophobicContact CG-CB 4.41Å; K169-K174 HydrophobicContact CG-CD 4.26Å; K169-K174 PolarHBondContact O-N 3.08Å; K169-A177 HydrophobicContact CD-CB 3.93Å; K169-A177 PolarHBondContact NZ-O 2.96Å; K169-A178 HydrophobicContact CB-CB 3.84Å; K169-D181 WeakPolarHBondContact CD-OD2 3.31Å; K169-D181 WeakPolarHBondContact CE-OD2 3.4Å; K169-D181 VanDerWaalsContact NZ-CG 3.28Å; K169-D181 IonicContact NZ-OD1 3.3Å; K169-D181 PolarHBondContact NZ-OD1 3.38Å; K169-D181 IonicContact NZ-OD2 2.92Å; K169-D181 PolarHBondContact NZ-OD2 3.48Å
170	M	97.9	Very high	97.7	Very high	30 Å²	30	36.6 Å²	36.6	15%	0.148	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-43.9	173.8	-74.1	169.5	76.8	0	0	111	A166 A167 Q172 D173 A178 R198 E201 L202	A166-M170 VanDerWaalsContact O-CG 3.26Å; A166-M170 WeakPolarHBondContact O-CG 3.39Å; A166-M170 PolarHBondContact O-N 3.42Å; A167-M170 WeakPolarHBondContact O-CB 3.39Å; A167-M170 PolarHBondContact O-N 3.27Å; M170-Q172 PolarHBondContact O-N 3.44Å; M170-D173 PolarHBondContact O-N 2.96Å; M170-D173 VanDerWaalsContact O-N 3.14Å; M170-A178 HydrophobicContact CG-CB 3.88Å; M170-R198 HydrophobicContact SD-CB 3.97Å; M170-R198 HydrophobicContact SD-CG 4.03Å; M170-E201 HydrophobicContact CE-CG 4.32Å; M170-L202 HydrophobicContact CE-CG 4.22Å; M170-L202 HydrophobicContact CG-CD1 4.09Å; M170-L202 HydrophobicContact CG-CD2 3.92Å; M170-L202 HydrophobicContact CG-CG 4.17Å; M170-L202 HydrophobicContact SD-CD1 4.14Å; M170-L202 HydrophobicContact SD-CG 4.28Å
171	K	97.9	Very high	97.7	Very high	106 Å²	106	34.7 Å²	34.7	46%	0.461	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.1	177.3	-66	-65.3	-176.8	-175.9	0	114.3	F131 Y136 A167 A168 K169	F131-K171 HydrophobicContact CE2-CG 4.02Å; F131-K171 HydrophobicContact CZ-CG 3.93Å; Y136-K171 HydrophobicContact CD1-CB 3.72Å; Y136-K171 HydrophobicContact CD1-CG 4.02Å; Y136-K171 HydrophobicContact CD2-CB 3.57Å; Y136-K171 HydrophobicContact CD2-CG 4.48Å; Y136-K171 HydrophobicContact CE1-CB 3.81Å; Y136-K171 HydrophobicContact CE1-CD 4.43Å; Y136-K171 HydrophobicContact CE1-CG 3.7Å; Y136-K171 HydrophobicContact CE2-CB 3.64Å; Y136-K171 HydrophobicContact CE2-CD 4.5Å; Y136-K171 HydrophobicContact CE2-CG 4.18Å; Y136-K171 HydrophobicContact CG-CB 3.61Å; Y136-K171 HydrophobicContact CG-CG 4.41Å; A167-K171 PolarHBondContact O-N 2.61Å; A168-K171 PolarHBondContact O-N 3.41Å; K169-K171 VanDerWaalsContact C-N 3.3Å; K169-K171 PolarHBondContact O-N 2.89Å
172	Q	97.3	Very high	97.8	Very high	59 Å²	59	34.7 Å²	34.7	28%	0.276	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	10.8	174.5	-65.5	173.8	67.1	0	0	112.4	Y136 E140 A168 K169 M170 K174	Y136-Q172 PolarHBondContact O-NE2 2.74Å; E140-Q172 PolarHBondContact OE2-NE2 3.44Å; E140-Q172 PolarHBondContact OE2-OE1 3.02Å; A168-Q172 WeakPolarHBondContact O-CG 3.38Å; A168-Q172 PolarHBondContact O-N 3.12Å; A168-Q172 PolarHBondContact O-NE2 3.36Å; A168-Q172 VanDerWaalsContact O-NE2 3.08Å; K169-Q172 CarbonylContact O-C 3.48Å; K169-Q172 PolarHBondContact O-N 3.02Å; M170-Q172 PolarHBondContact O-N 3.44Å; Q172-K174 HydrophobicContact CB-CD 4.13Å; Q172-K174 HydrophobicContact CB-CG 4.15Å; Q172-K174 PolarHBondContact O-N 3.38Å; Q172-K174 VanDerWaalsContact O-N 3.09Å
173	D	95.8	Very high	97.7	Very high	104 Å²	104	35 Å²	35	56%	0.556	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	19.6	-175.3	-69.9	-58.5	0	0	0	115.5	K169 M170 T175 K205	K169-D173 PolarHBondContact O-N 3.32Å; M170-D173 PolarHBondContact O-N 2.96Å; M170-D173 VanDerWaalsContact O-N 3.14Å; D173-T175 PolarHBondContact O-N 2.86Å; D173-T175 PolarHBondContact O-OG1 2.8Å; D173-K205 IonicContact OD1-NZ 3.41Å; D173-K205 PolarHBondContact OD1-NZ 3.49Å
174	K	97.2	Very high	97.7	Very high	85 Å²	85	37.5 Å²	37.5	37%	0.37	19%	0.193	S	C	.	.			trans	-80.8	62.3	175.2	-65.8	172.2	174.8	167	0	110.9	E140 K169 Q172 E176 A177 A178	E140-K174 IonicContact OE1-NZ 3.18Å; E140-K174 IonicContact OE2-NZ 2.71Å; E140-K174 PolarHBondContact OE2-NZ 2.99Å; K169-K174 HydrophobicContact CB-CB 4.03Å; K169-K174 HydrophobicContact CG-CB 4.41Å; K169-K174 HydrophobicContact CG-CD 4.26Å; K169-K174 PolarHBondContact O-N 3.08Å; Q172-K174 HydrophobicContact CB-CD 4.13Å; Q172-K174 HydrophobicContact CB-CG 4.15Å; Q172-K174 PolarHBondContact O-N 3.38Å; Q172-K174 VanDerWaalsContact O-N 3.09Å; K174-E176 PolarHBondContact O-N 3.33Å; K174-A177 HydrophobicContact CB-CB 4.32Å; K174-A177 PolarHBondContact O-N 3.19Å; K174-A178 WeakPolarHBondContact O-CB 3.44Å; K174-A178 PolarHBondContact O-N 3.23Å
175	T	96	Very high	97.7	Very high	25 Å²	25	37 Å²	37	15%	0.153	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-52.5	-168.7	-53.3	0	0	0	0	113.4	D173 A177 A178 L179 L202 K205 T206	D173-T175 PolarHBondContact O-N 2.86Å; D173-T175 PolarHBondContact O-OG1 2.8Å; T175-A177 PolarHBondContact O-N 3.49Å; T175-A178 PolarHBondContact O-N 2.95Å; T175-L179 PolarHBondContact O-N 2.99Å; T175-L202 HydrophobicContact CG2-CD2 3.76Å; T175-K205 HydrophobicContact CG2-CD 4.46Å; T175-T206 HydrophobicContact CG2-CG2 3.51Å
176	E	96.3	Very high	97.6	Very high	123 Å²	123	36.3 Å²	36.3	58%	0.575	19%	0.19	S	C	*	.	H	α-helix	trans	-64.8	-40.6	-179	-63.2	-56.2	142.4	0	0	112.6	K174 A178 L179 S180	K174-E176 PolarHBondContact O-N 3.33Å; E176-A178 VanDerWaalsContact C-N 3.3Å; E176-A178 PolarHBondContact O-N 3.43Å; E176-L179 WeakPolarHBondContact O-CB 3.5Å; E176-L179 PolarHBondContact O-N 2.94Å; E176-S180 PolarHBondContact O-N 3.17Å
177	A	96.8	Very high	97.6	Very high	39 Å²	39	42.5 Å²	42.5	32%	0.322	22%	0.219	S	C	.	.	H	α-helix	trans	-69.3	-29.4	178	0	0	0	0	0	112.3	K169 K174 T175 D181	K169-A177 HydrophobicContact CD-CB 3.93Å; K169-A177 PolarHBondContact NZ-O 2.96Å; K174-A177 HydrophobicContact CB-CB 4.32Å; K174-A177 PolarHBondContact O-N 3.19Å; T175-A177 PolarHBondContact O-N 3.49Å; A177-D181 PolarHBondContact O-N 3.46Å
178	A	98.2	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-73.3	-38.9	172.5	0	0	0	0	0	111.6	A166 K169 M170 K174 T175 E176 D181 C182 L202	A166-A178 HydrophobicContact CB-CB 4.41Å; K169-A178 HydrophobicContact CB-CB 3.84Å; M170-A178 HydrophobicContact CG-CB 3.88Å; K174-A178 WeakPolarHBondContact O-CB 3.44Å; K174-A178 PolarHBondContact O-N 3.23Å; T175-A178 PolarHBondContact O-N 2.95Å; E176-A178 VanDerWaalsContact C-N 3.3Å; E176-A178 PolarHBondContact O-N 3.43Å; A178-D181 PolarHBondContact O-N 3.48Å; A178-C182 WeakPolarHBondContact O-CB 3.49Å; A178-C182 PolarHBondContact O-N 3.46Å; A178-C182 PolarHBondContact O-SG 3.46Å; A178-L202 HydrophobicContact CB-CD1 3.71Å; A178-L202 HydrophobicContact CB-CD2 4.17Å
179	L	97.9	Very high	97.4	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-45.3	174.6	-86	172.8	0	0	0	111.7	T175 E176 D181 C182 S183 R199 L202 Y203 T206	T175-L179 PolarHBondContact O-N 2.99Å; E176-L179 WeakPolarHBondContact O-CB 3.5Å; E176-L179 PolarHBondContact O-N 2.94Å; L179-D181 PolarHBondContact O-N 3.12Å; L179-C182 PolarHBondContact O-N 2.93Å; L179-S183 WeakPolarHBondContact O-CB 3.44Å; L179-S183 PolarHBondContact O-N 3.32Å; L179-S183 PolarHBondContact O-OG 3.38Å; L179-R199 HydrophobicContact CD2-CG 4.1Å; L179-L202 HydrophobicContact CD1-CB 4.49Å; L179-L202 HydrophobicContact CD2-CB 3.38Å; L179-L202 HydrophobicContact CD2-CD1 4.1Å; L179-L202 HydrophobicContact CD2-CG 4.35Å; L179-L202 HydrophobicContact CG-CB 3.72Å; L179-L202 HydrophobicContact CG-CD1 4.11Å; L179-L202 HydrophobicContact CG-CG 4.39Å; L179-Y203 HydrophobicContact CD1-CD1 4.45Å; L179-Y203 HydrophobicContact CD2-CD1 3.67Å; L179-Y203 HydrophobicContact CD2-CE1 3.65Å; L179-Y203 HydrophobicContact CD2-CG 4.36Å; L179-T206 HydrophobicContact CD1-CG2 4.08Å
180	S	97.5	Very high	97.3	Very high	60 Å²	60	47 Å²	47	42%	0.42	25%	0.247	S	C	.	.	H	α-helix	trans	-57.5	-47.6	175.5	171.7	0	0	0	0	111.8	E176 C182 S183 K184	E176-S180 PolarHBondContact O-N 3.17Å; S180-C182 PolarHBondContact O-N 3.02Å; S180-S183 PolarHBondContact O-N 3.25Å; S180-K184 PolarHBondContact O-N 2.96Å
181	D	98.3	Very high	97.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177.2	-81.7	-9.4	0	0	0	112.3	F162 R165 A166 K169 A177 A178 L179 K184 A185	F162-D181 HydrophobicContact CD1-CB 4.41Å; R165-D181 WeakPolarHBondContact CG-OD2 3.48Å; R165-D181 IonicContact CZ-OD1 2.82Å; R165-D181 IonicContact CZ-OD2 3.75Å; R165-D181 IonicContact NE-OD1 3.68Å; R165-D181 PolarHBondContact NE-OD1 2.98Å; R165-D181 IonicContact NE-OD2 2.74Å; R165-D181 PolarHBondContact NE-OD2 2.98Å; R165-D181 IonicContact NH2-OD1 2.98Å; R165-D181 PolarHBondContact NH2-OD1 2.81Å; R165-D181 IonicContact NH2-OD2 2.81Å; A166-D181 HydrophobicContact CB-CB 3.74Å; K169-D181 WeakPolarHBondContact CD-OD2 3.31Å; K169-D181 WeakPolarHBondContact CE-OD2 3.4Å; K169-D181 VanDerWaalsContact NZ-CG 3.28Å; K169-D181 IonicContact NZ-OD1 3.3Å; K169-D181 PolarHBondContact NZ-OD1 3.38Å; K169-D181 IonicContact NZ-OD2 2.92Å; K169-D181 PolarHBondContact NZ-OD2 3.48Å; A177-D181 PolarHBondContact O-N 3.46Å; A178-D181 PolarHBondContact O-N 3.48Å; L179-D181 PolarHBondContact O-N 3.12Å; D181-K184 PolarHBondContact O-N 3.19Å; D181-A185 WeakPolarHBondContact O-CB 3.37Å; D181-A185 PolarHBondContact O-N 3.42Å
182	C	98.4	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-43.8	176.3	-79.4	0	0	0	0	112	A166 A178 L179 S180 A185 V186 R199	A166-C182 WeakPolarHBondContact CB-SG 3.07Å; A178-C182 WeakPolarHBondContact O-CB 3.49Å; A178-C182 PolarHBondContact O-N 3.46Å; A178-C182 PolarHBondContact O-SG 3.46Å; L179-C182 PolarHBondContact O-N 2.93Å; S180-C182 PolarHBondContact O-N 3.02Å; C182-A185 WeakPolarHBondContact O-CB 3.46Å; C182-A185 PolarHBondContact O-N 3.43Å; C182-V186 WeakPolarHBondContact O-CG2 3.28Å; C182-V186 PolarHBondContact O-N 3.29Å; C182-R199 HydrophobicContact CB-CB 3.81Å; C182-R199 HydrophobicContact CB-CG 4Å
183	S	98.2	Very high	97.1	Very high	28 Å²	28	46.2 Å²	46.2	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-44.4	175.9	-70.9	0	0	0	0	111.5	L179 S180 A185 V186 E187 R199	L179-S183 WeakPolarHBondContact O-CB 3.44Å; L179-S183 PolarHBondContact O-N 3.32Å; L179-S183 PolarHBondContact O-OG 3.38Å; S180-S183 PolarHBondContact O-N 3.25Å; S183-A185 VanDerWaalsContact C-N 3.31Å; S183-A185 PolarHBondContact O-N 2.88Å; S183-V186 PolarHBondContact O-N 3Å; S183-E187 WeakPolarHBondContact O-CG 3.39Å; S183-E187 PolarHBondContact O-N 3.43Å; S183-R199 WeakPolarHBondContact OG-CD 2.96Å
184	K	97.3	Very high	97.1	Very high	52 Å²	52	43.2 Å²	43.2	23%	0.226	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-36.8	176.2	-167.4	57.9	175.2	-179.5	0	112.6	E98 F162 S180 D181 E187 L188	E98-K184 IonicContact OE1-NZ 3.41Å; E98-K184 WeakPolarHBondContact OE2-CE 3.46Å; E98-K184 IonicContact OE2-NZ 3.5Å; E98-K184 PolarHBondContact OE2-NZ 3.09Å; F162-K184 HydrophobicContact CD1-CB 4.29Å; F162-K184 HydrophobicContact CD1-CG 4.32Å; F162-K184 HydrophobicContact CD2-CB 4.44Å; F162-K184 HydrophobicContact CD2-CG 3.96Å; F162-K184 HydrophobicContact CE1-CB 4.37Å; F162-K184 HydrophobicContact CE1-CG 4.02Å; F162-K184 HydrophobicContact CE2-CG 3.66Å; F162-K184 HydrophobicContact CG-CB 4.33Å; F162-K184 HydrophobicContact CG-CG 4.3Å; F162-K184 HydrophobicContact CZ-CG 3.69Å; S180-K184 PolarHBondContact O-N 2.96Å; D181-K184 PolarHBondContact O-N 3.19Å; K184-E187 VanDerWaalsContact CD-OE2 3.26Å; K184-E187 WeakPolarHBondContact CD-OE2 3.26Å; K184-E187 IonicContact NZ-OE2 3.55Å; K184-E187 PolarHBondContact NZ-OE2 3.45Å; K184-E187 PolarHBondContact O-N 3.49Å; K184-L188 HydrophobicContact CG-CD1 4.36Å; K184-L188 VanDerWaalsContact O-CG 3.29Å; K184-L188 WeakPolarHBondContact O-CG 3.32Å; K184-L188 PolarHBondContact O-N 2.76Å; K184-L188 VanDerWaalsContact O-N 3.1Å
185	A	98	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-41.7	174.3	0	0	0	0	0	112.2	A159 F162 D181 C182 S183 L188 D189 A195	A159-A185 HydrophobicContact CB-CB 4.46Å; A159-A185 WeakPolarHBondContact CB-O 3.36Å; A159-A185 WeakPolarHBondContact O-CB 3.3Å; F162-A185 HydrophobicContact CB-CB 3.85Å; D181-A185 WeakPolarHBondContact O-CB 3.37Å; D181-A185 PolarHBondContact O-N 3.42Å; C182-A185 WeakPolarHBondContact O-CB 3.46Å; C182-A185 PolarHBondContact O-N 3.43Å; S183-A185 VanDerWaalsContact C-N 3.31Å; S183-A185 PolarHBondContact O-N 2.88Å; A185-L188 PolarHBondContact O-N 3.4Å; A185-D189 PolarHBondContact O-N 2.93Å; A185-A195 HydrophobicContact CB-CB 3.7Å
186	V	97.8	Very high	97.2	Very high	16 Å²	16	38.1 Å²	38.1	10%	0.097	20%	0.204	C	C	.	.	H	α-helix	trans	-71.6	-34.7	177.8	175	0	0	0	0	112	C182 S183 L188 D189 P190 A195 L196	C182-V186 WeakPolarHBondContact O-CG2 3.28Å; C182-V186 PolarHBondContact O-N 3.29Å; S183-V186 PolarHBondContact O-N 3Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 3.28Å; V186-D189 CarbonylContact O-C 3.24Å; V186-D189 VanDerWaalsContact O-C 3.24Å; V186-P190 VanDerWaalsContact O-CA 3.29Å; V186-P190 WeakPolarHBondContact O-CA 3.5Å; V186-P190 WeakPolarHBondContact O-CD 3.26Å; V186-P190 WeakPolarHBondContact O-CG 3.36Å; V186-A195 HydrophobicContact CG2-CB 3.91Å; V186-L196 HydrophobicContact CG1-CD2 3.9Å; V186-L196 HydrophobicContact CG2-CD2 3.76Å; V186-L196 HydrophobicContact CG2-CG 4.1Å
187	E	97.1	Very high	97.3	Very high	130 Å²	130	33.5 Å²	33.5	61%	0.607	18%	0.183	S	C	*	.	H	α-helix	trans	-60.2	-41.5	171.7	-75.1	173.9	-166.8	0	0	111.9	S183 K184	S183-E187 WeakPolarHBondContact O-CG 3.39Å; S183-E187 PolarHBondContact O-N 3.43Å; K184-E187 VanDerWaalsContact CD-OE2 3.26Å; K184-E187 WeakPolarHBondContact CD-OE2 3.26Å; K184-E187 IonicContact NZ-OE2 3.55Å; K184-E187 PolarHBondContact NZ-OE2 3.45Å; K184-E187 PolarHBondContact O-N 3.49Å
188	L	96.1	Very high	97.4	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-77.5	-36.9	-179.6	-69.2	171.8	0	0	0	113.1	Q155 R158 A159 F162 K184 A185 V186	Q155-L188 HydrophobicContact CB-CB 4.47Å; Q155-L188 HydrophobicContact CB-CD2 4.22Å; Q155-L188 HydrophobicContact CG-CD2 4.13Å; R158-L188 HydrophobicContact CB-CD1 3.81Å; A159-L188 HydrophobicContact CB-CB 3.93Å; F162-L188 HydrophobicContact CD2-CD1 3.64Å; F162-L188 HydrophobicContact CE2-CD1 3.65Å; K184-L188 HydrophobicContact CG-CD1 4.36Å; K184-L188 VanDerWaalsContact O-CG 3.29Å; K184-L188 WeakPolarHBondContact O-CG 3.32Å; K184-L188 PolarHBondContact O-N 2.76Å; K184-L188 VanDerWaalsContact O-N 3.1Å; A185-L188 PolarHBondContact O-N 3.4Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 3.28Å
189	D	96.9	Very high	97.4	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.15	18%	0.179	C	C	.	.			trans	-139.3	93.8	173.6	-172.2	-4	0	0	0	111.1	A159 A185 V186 N191 Y192	A159-D189 HydrophobicContact CB-CB 3.78Å; A185-D189 PolarHBondContact O-N 2.93Å; V186-D189 CarbonylContact O-C 3.24Å; V186-D189 VanDerWaalsContact O-C 3.24Å; D189-N191 PolarHBondContact O-N 3.49Å; D189-N191 PolarHBondContact OD1-N 3.2Å; D189-Y192 WeakPolarHBondContact O-CB 3.43Å; D189-Y192 PolarHBondContact O-N 2.67Å
190	P	96.3	Very high	97.4	Very high	73 Å²	73	34.1 Å²	34.1	47%	0.474	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-11.3	178.7	-24.8	34.3	0	0	0	114.5	V186 K222	V186-P190 VanDerWaalsContact O-CA 3.29Å; V186-P190 WeakPolarHBondContact O-CA 3.5Å; V186-P190 WeakPolarHBondContact O-CD 3.26Å; V186-P190 WeakPolarHBondContact O-CG 3.36Å; P190-K222 WeakPolarHBondContact O-CE 3.38Å; P190-K222 PolarHBondContact O-NZ 3.19Å
191	N	94.7	Very high	97.4	Very high	104 Å²	104	35.6 Å²	35.6	56%	0.556	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	1.7	178.2	-62.9	-49.2	0	0	0	112.8	D189 I193 K222	D189-N191 PolarHBondContact O-N 3.49Å; D189-N191 PolarHBondContact OD1-N 3.2Å; N191-I193 PolarHBondContact O-N 3.01Å; N191-K222 HydrophobicContact CB-CD 4.47Å; N191-K222 PolarHBondContact OD1-NZ 3.26Å
192	Y	96.9	Very high	97.4	Very high	33 Å²	33	35.7 Å²	35.7	13%	0.129	18%	0.177	C	C	.	.			trans	-78.6	89.9	-175.6	-171.5	-154.2	0	0	0	112.2	A159 V160 D189 R194 A195 L196	A159-Y192 HydrophobicContact CB-CD1 4.28Å; V160-Y192 HydrophobicContact CG2-CE1 4.22Å; V160-Y192 HydrophobicContact CG2-CE2 4.49Å; D189-Y192 WeakPolarHBondContact O-CB 3.43Å; D189-Y192 PolarHBondContact O-N 2.67Å; Y192-R194 HydrophobicContact CD2-CB 4.28Å; Y192-R194 HydrophobicContact CE2-CB 3.71Å; Y192-R194 HydrophobicContact CE2-CG 4.09Å; Y192-R194 PolarHBondContact O-N 2.87Å; Y192-R194 VanDerWaalsContact O-N 3.12Å; Y192-A195 HydrophobicContact CD1-CB 3.49Å; Y192-A195 VanDerWaalsContact CD1-CB 3.49Å; Y192-A195 HydrophobicContact CE1-CB 4.07Å; Y192-A195 HydrophobicContact CG-CB 4.08Å; Y192-A195 PolarHBondContact O-N 2.68Å; Y192-L196 PolarHBondContact O-N 3.18Å; Y192-L196 VanDerWaalsContact O-N 3.15Å
193	I	96.9	Very high	97.4	Very high	43 Å²	43	37.5 Å²	37.5	22%	0.221	18%	0.184	C	C	.	.	H	α-helix	trans	-51.9	-39.1	-175.2	-66	172.4	0	0	0	112.7	N191 L196 L197 I219 K222 D223 V226	N191-I193 PolarHBondContact O-N 3.01Å; I193-L196 PolarHBondContact O-N 3.47Å; I193-L197 HydrophobicContact CG2-CD1 3.87Å; I193-L197 HydrophobicContact CG2-CG 4.28Å; I193-L197 WeakPolarHBondContact O-CB 3.44Å; I193-L197 WeakPolarHBondContact O-CG 3.36Å; I193-L197 PolarHBondContact O-N 3.12Å; I193-I219 HydrophobicContact CG2-CG2 4.01Å; I193-K222 HydrophobicContact CD1-CB 4.24Å; I193-K222 HydrophobicContact CG1-CB 4.4Å; I193-K222 HydrophobicContact CG1-CD 4.36Å; I193-D223 HydrophobicContact CD1-CB 3.69Å; I193-V226 HydrophobicContact CG2-CG2 4.39Å
194	R	96.2	Very high	97.3	Very high	41 Å²	41	38.1 Å²	38.1	16%	0.155	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-39.1	179.8	-67.2	176.2	66.6	121.3	7.7	112.9	C62 F63 D65 Y192 L197 R198	C62-R194 PolarHBondContact SG-NH1 3.48Å; F63-R194 PolarHBondContact O-NH1 3.15Å; F63-R194 PolarHBondContact O-NH2 3.41Å; D65-R194 IonicContact OD2-NH2 3.95Å; Y192-R194 HydrophobicContact CD2-CB 4.28Å; Y192-R194 HydrophobicContact CE2-CB 3.71Å; Y192-R194 HydrophobicContact CE2-CG 4.09Å; Y192-R194 PolarHBondContact O-N 2.87Å; Y192-R194 VanDerWaalsContact O-N 3.12Å; R194-L197 PolarHBondContact O-N 3.36Å; R194-R198 WeakPolarHBondContact O-CG 3.42Å; R194-R198 PolarHBondContact O-N 3.25Å; R194-R198 VanDerWaalsContact O-N 3.09Å
195	A	97.8	Very high	97.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-42.7	176.1	0	0	0	0	0	110.9	A185 V186 Y192 L197 R198 R199	A185-A195 HydrophobicContact CB-CB 3.7Å; V186-A195 HydrophobicContact CG2-CB 3.91Å; Y192-A195 HydrophobicContact CD1-CB 3.49Å; Y192-A195 VanDerWaalsContact CD1-CB 3.49Å; Y192-A195 HydrophobicContact CE1-CB 4.07Å; Y192-A195 HydrophobicContact CG-CB 4.08Å; Y192-A195 PolarHBondContact O-N 2.68Å; A195-L197 PolarHBondContact O-N 2.88Å; A195-R198 PolarHBondContact O-N 3.24Å; A195-R199 WeakPolarHBondContact O-CB 3.44Å; A195-R199 PolarHBondContact O-N 2.78Å
196	L	98.3	Very high	97.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-45.3	173.9	-69.2	168.7	0	0	0	111.7	V186 Y192 I193 R199 A200 T218 I219 K222	V186-L196 HydrophobicContact CG1-CD2 3.9Å; V186-L196 HydrophobicContact CG2-CD2 3.76Å; V186-L196 HydrophobicContact CG2-CG 4.1Å; Y192-L196 PolarHBondContact O-N 3.18Å; Y192-L196 VanDerWaalsContact O-N 3.15Å; I193-L196 PolarHBondContact O-N 3.47Å; L196-R199 PolarHBondContact O-N 3.08Å; L196-A200 WeakPolarHBondContact O-CB 3.37Å; L196-A200 PolarHBondContact O-N 2.9Å; L196-T218 HydrophobicContact CD1-CG2 3.94Å; L196-I219 HydrophobicContact CB-CD1 3.79Å; L196-I219 HydrophobicContact CB-CG1 3.62Å; L196-I219 HydrophobicContact CD1-CG1 4.13Å; L196-K222 HydrophobicContact CD1-CD 4.38Å
197	L	98.1	Very high	96.9	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.141	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-47.3	-179.7	-82.4	169.6	0	0	0	111.9	I193 R194 A195 R199 A200 E201 Y216 I219 V226 Q228	I193-L197 HydrophobicContact CG2-CD1 3.87Å; I193-L197 HydrophobicContact CG2-CG 4.28Å; I193-L197 WeakPolarHBondContact O-CB 3.44Å; I193-L197 WeakPolarHBondContact O-CG 3.36Å; I193-L197 PolarHBondContact O-N 3.12Å; R194-L197 PolarHBondContact O-N 3.36Å; A195-L197 PolarHBondContact O-N 2.88Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.39Å; L197-A200 PolarHBondContact O-N 3.33Å; L197-E201 PolarHBondContact O-N 3.44Å; L197-Y216 HydrophobicContact CD2-CD1 4.31Å; L197-Y216 HydrophobicContact CD2-CE1 3.95Å; L197-I219 HydrophobicContact CB-CD1 4.31Å; L197-I219 HydrophobicContact CD2-CD1 3.57Å; L197-I219 HydrophobicContact CD2-CG2 4.49Å; L197-I219 HydrophobicContact CG-CD1 3.63Å; L197-I219 HydrophobicContact CG-CG1 4.4Å; L197-V226 HydrophobicContact CD1-CG1 4.08Å; L197-V226 HydrophobicContact CD2-CG1 3.99Å; L197-Q228 HydrophobicContact CD2-CB 4.48Å
198	R	98.2	Very high	96.9	Very high	23 Å²	23	46.9 Å²	46.9	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-39.6	177	-69.5	-175.4	-162.9	-69.5	4.7	111.8	D65 S163 M170 R194 A195 E201 L202	D65-R198 IonicContact OD2-CZ 3.34Å; D65-R198 IonicContact OD2-NH1 2.73Å; D65-R198 PolarHBondContact OD2-NH1 3.35Å; D65-R198 IonicContact OD2-NH2 2.81Å; D65-R198 PolarHBondContact OD2-NH2 3.3Å; S163-R198 PolarHBondContact O-NE 2.87Å; S163-R198 PolarHBondContact OG-NE 2.95Å; M170-R198 HydrophobicContact SD-CB 3.97Å; M170-R198 HydrophobicContact SD-CG 4.03Å; R194-R198 WeakPolarHBondContact O-CG 3.42Å; R194-R198 PolarHBondContact O-N 3.25Å; R194-R198 VanDerWaalsContact O-N 3.09Å; A195-R198 PolarHBondContact O-N 3.24Å; R198-E201 PolarHBondContact O-N 3.43Å; R198-L202 WeakPolarHBondContact O-CB 3.37Å; R198-L202 WeakPolarHBondContact O-CD1 3.36Å; R198-L202 VanDerWaalsContact O-CG 3.3Å; R198-L202 WeakPolarHBondContact O-CG 3.1Å; R198-L202 PolarHBondContact O-N 2.89Å
199	R	98.5	Very high	97	Very high	37 Å²	37	47.2 Å²	47.2	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-44.3	177.9	-161.5	171	64.4	179.2	-1.3	111.4	L179 C182 S183 A195 L196 L197 E201 L202 Y203 D215	L179-R199 HydrophobicContact CD2-CG 4.1Å; C182-R199 HydrophobicContact CB-CB 3.81Å; C182-R199 HydrophobicContact CB-CG 4Å; S183-R199 WeakPolarHBondContact OG-CD 2.96Å; A195-R199 WeakPolarHBondContact O-CB 3.44Å; A195-R199 PolarHBondContact O-N 2.78Å; L196-R199 PolarHBondContact O-N 3.08Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.39Å; R199-E201 PolarHBondContact O-N 3.08Å; R199-L202 PolarHBondContact O-N 2.64Å; R199-Y203 HydrophobicContact CG-CD2 4.04Å; R199-Y203 HydrophobicContact CG-CE2 3.59Å; R199-Y203 WeakPolarHBondContact O-CD2 3.39Å; R199-Y203 PolarHBondContact O-N 3.24Å; R199-D215 IonicContact CZ-OD1 2.88Å; R199-D215 IonicContact CZ-OD2 3.29Å; R199-D215 IonicContact NE-OD1 2.67Å; R199-D215 IonicContact NE-OD2 3.17Å; R199-D215 PolarHBondContact NE-OD2 3.4Å; R199-D215 IonicContact NH2-OD1 2.63Å; R199-D215 PolarHBondContact NH2-OD1 2.83Å; R199-D215 IonicContact NH2-OD2 3.12Å; R199-D215 PolarHBondContact NH2-OD2 3.43Å
200	A	98.3	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-44.6	176.5	0	0	0	0	0	111.9	L196 L197 L202 Y203 E204 D215 Y216	L196-A200 WeakPolarHBondContact O-CB 3.37Å; L196-A200 PolarHBondContact O-N 2.9Å; L197-A200 PolarHBondContact O-N 3.33Å; A200-L202 VanDerWaalsContact C-N 3.34Å; A200-L202 PolarHBondContact O-N 2.99Å; A200-Y203 PolarHBondContact O-N 2.93Å; A200-E204 WeakPolarHBondContact O-CG 3.42Å; A200-E204 PolarHBondContact O-N 3.39Å; A200-D215 HydrophobicContact CB-CB 3.74Å; A200-Y216 HydrophobicContact CB-CD1 3.94Å; A200-Y216 HydrophobicContact CB-CD2 3.89Å; A200-Y216 HydrophobicContact CB-CE1 3.62Å; A200-Y216 HydrophobicContact CB-CE2 3.54Å; A200-Y216 HydrophobicContact CB-CG 4.09Å
201	E	97.6	Very high	97.1	Very high	92 Å²	92	49.7 Å²	49.7	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-42.2	175.5	-174.9	-174.5	162.4	0	0	112.1	M170 L197 R198 R199 E204 K205	M170-E201 HydrophobicContact CE-CG 4.32Å; L197-E201 PolarHBondContact O-N 3.44Å; R198-E201 PolarHBondContact O-N 3.43Å; R199-E201 PolarHBondContact O-N 3.08Å; E201-E204 PolarHBondContact O-N 3.26Å; E201-K205 PolarHBondContact O-N 3.36Å
202	L	98.1	Very high	97.3	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-35.8	175.5	-76.1	164.8	0	0	0	112.6	M170 T175 A178 L179 R198 R199 A200 K205 T206	M170-L202 HydrophobicContact CE-CG 4.22Å; M170-L202 HydrophobicContact CG-CD1 4.09Å; M170-L202 HydrophobicContact CG-CD2 3.92Å; M170-L202 HydrophobicContact CG-CG 4.17Å; M170-L202 HydrophobicContact SD-CD1 4.14Å; M170-L202 HydrophobicContact SD-CG 4.28Å; T175-L202 HydrophobicContact CG2-CD2 3.76Å; A178-L202 HydrophobicContact CB-CD1 3.71Å; A178-L202 HydrophobicContact CB-CD2 4.17Å; L179-L202 HydrophobicContact CD1-CB 4.49Å; L179-L202 HydrophobicContact CD2-CB 3.38Å; L179-L202 HydrophobicContact CD2-CD1 4.1Å; L179-L202 HydrophobicContact CD2-CG 4.35Å; L179-L202 HydrophobicContact CG-CB 3.72Å; L179-L202 HydrophobicContact CG-CD1 4.11Å; L179-L202 HydrophobicContact CG-CG 4.39Å; R198-L202 WeakPolarHBondContact O-CB 3.37Å; R198-L202 WeakPolarHBondContact O-CD1 3.36Å; R198-L202 VanDerWaalsContact O-CG 3.3Å; R198-L202 WeakPolarHBondContact O-CG 3.1Å; R198-L202 PolarHBondContact O-N 2.89Å; R199-L202 PolarHBondContact O-N 2.64Å; A200-L202 VanDerWaalsContact C-N 3.34Å; A200-L202 PolarHBondContact O-N 2.99Å; L202-K205 PolarHBondContact O-N 2.73Å; L202-T206 WeakPolarHBondContact O-CG2 3.5Å; L202-T206 PolarHBondContact O-N 3.33Å; L202-T206 PolarHBondContact O-OG1 3.27Å
203	Y	98.4	Very high	97.3	Very high	38 Å²	38	44 Å²	44	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-39.8	173	-75.8	-32.9	0	0	0	111.9	L179 R199 A200 T206 E207 K208 E211	L179-Y203 HydrophobicContact CD1-CD1 4.45Å; L179-Y203 HydrophobicContact CD2-CD1 3.67Å; L179-Y203 HydrophobicContact CD2-CE1 3.65Å; L179-Y203 HydrophobicContact CD2-CG 4.36Å; R199-Y203 HydrophobicContact CG-CD2 4.04Å; R199-Y203 HydrophobicContact CG-CE2 3.59Å; R199-Y203 WeakPolarHBondContact O-CD2 3.39Å; R199-Y203 PolarHBondContact O-N 3.24Å; A200-Y203 PolarHBondContact O-N 2.93Å; Y203-T206 WeakPolarHBondContact CA-OG1 3.38Å; Y203-T206 CarbonylContact O-C 3.5Å; Y203-T206 PolarHBondContact O-N 3.35Å; Y203-T206 PolarHBondContact O-OG1 3.47Å; Y203-E207 PolarHBondContact O-N 3.14Å; Y203-K208 HydrophobicContact CD1-CB 3.91Å; Y203-K208 HydrophobicContact CD1-CD 3.77Å; Y203-K208 HydrophobicContact CD1-CG 4.48Å; Y203-K208 HydrophobicContact CE1-CD 4.04Å; Y203-K208 HydrophobicContact CG-CB 4.21Å; Y203-K208 PolarHBondContact O-N 3.21Å; Y203-E211 HydrophobicContact CD1-CB 4.42Å; Y203-E211 HydrophobicContact CD2-CB 3.68Å; Y203-E211 HydrophobicContact CE1-CB 4.5Å; Y203-E211 HydrophobicContact CE2-CB 3.75Å; Y203-E211 HydrophobicContact CG-CB 4.03Å
204	E	96.3	Very high	97.4	Very high	42 Å²	42	46.9 Å²	46.9	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-45.2	170.3	-68.2	-155.1	-127.1	0	0	111.8	A200 E201 T206 E207 A212 Y216 R235 L236	A200-E204 WeakPolarHBondContact O-CG 3.42Å; A200-E204 PolarHBondContact O-N 3.39Å; E201-E204 PolarHBondContact O-N 3.26Å; E204-T206 PolarHBondContact O-N 2.96Å; E204-E207 PolarHBondContact O-N 3.37Å; E204-A212 HydrophobicContact CG-CB 3.75Å; E204-Y216 HydrophobicContact CG-CE2 4.27Å; E204-Y216 WeakPolarHBondContact OE1-CE2 3.43Å; E204-Y216 PolarHBondContact OE1-OH 2.82Å; E204-R235 IonicContact OE1-CZ 3.45Å; E204-R235 IonicContact OE1-NH2 3.96Å; E204-R235 PolarHBondContact OE1-NH2 2.91Å; E204-R235 IonicContact OE2-CZ 2.68Å; E204-R235 IonicContact OE2-NH1 3.69Å; E204-R235 PolarHBondContact OE2-NH1 2.93Å; E204-R235 IonicContact OE2-NH2 3.66Å; E204-R235 PolarHBondContact OE2-NH2 3.49Å; E204-L236 HydrophobicContact CG-CD1 4.5Å; E204-L236 HydrophobicContact CG-CD2 4.2Å
205	K	95.4	Very high	97.5	Very high	109 Å²	109	45.3 Å²	45.3	47%	0.474	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-24.6	177.5	-172.2	173	179.5	178.2	0	113.2	D173 T175 E201 L202	D173-K205 IonicContact OD1-NZ 3.41Å; D173-K205 PolarHBondContact OD1-NZ 3.49Å; T175-K205 HydrophobicContact CG2-CD 4.46Å; E201-K205 PolarHBondContact O-N 3.36Å; L202-K205 PolarHBondContact O-N 2.73Å
206	T	95.6	Very high	97.5	Very high	34 Å²	34	45.5 Å²	45.5	21%	0.209	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	15.1	179.7	53.7	0	0	0	0	113.4	T175 L179 L202 Y203 E204 K208	T175-T206 HydrophobicContact CG2-CG2 3.51Å; L179-T206 HydrophobicContact CD1-CG2 4.08Å; L202-T206 WeakPolarHBondContact O-CG2 3.5Å; L202-T206 PolarHBondContact O-N 3.33Å; L202-T206 PolarHBondContact O-OG1 3.27Å; Y203-T206 WeakPolarHBondContact CA-OG1 3.38Å; Y203-T206 CarbonylContact O-C 3.5Å; Y203-T206 PolarHBondContact O-N 3.35Å; Y203-T206 PolarHBondContact O-OG1 3.47Å; E204-T206 PolarHBondContact O-N 2.96Å; T206-K208 PolarHBondContact O-N 3.02Å; T206-K208 VanDerWaalsContact O-N 3.12Å
207	E	94.1	Very high	97.5	Very high	162 Å²	162	49.8 Å²	49.8	76%	0.757	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	17.1	-178.8	-56.8	-167.6	150.2	0	0	115.4	Y203 E204 L209	Y203-E207 PolarHBondContact O-N 3.14Å; E204-E207 PolarHBondContact O-N 3.37Å; E207-L209 PolarHBondContact O-N 2.9Å
208	K	96.8	Very high	97.5	Very high	76 Å²	76	49.9 Å²	49.9	33%	0.33	23%	0.233	S	C	.	.			trans	-83.9	59.2	173.7	-68.6	177.8	-174.8	168.4	0	110.3	Y203 T206 D210 E211 A212	Y203-K208 HydrophobicContact CD1-CB 3.91Å; Y203-K208 HydrophobicContact CD1-CD 3.77Å; Y203-K208 HydrophobicContact CD1-CG 4.48Å; Y203-K208 HydrophobicContact CE1-CD 4.04Å; Y203-K208 HydrophobicContact CG-CB 4.21Å; Y203-K208 PolarHBondContact O-N 3.21Å; T206-K208 PolarHBondContact O-N 3.02Å; T206-K208 VanDerWaalsContact O-N 3.12Å; K208-D210 VanDerWaalsContact C-N 3.3Å; K208-D210 PolarHBondContact O-N 3.22Å; K208-E211 WeakPolarHBondContact CA-OE2 3.32Å; K208-E211 HydrophobicContact CB-CB 4.41Å; K208-E211 WeakPolarHBondContact CB-OE2 3.4Å; K208-E211 PolarHBondContact O-N 2.86Å; K208-A212 PolarHBondContact O-N 3.43Å
209	L	97.3	Very high	97.5	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-32.6	-169.6	-57.1	-173.7	0	0	0	113.1	E207 L213 L236 Q239 I240	E207-L209 PolarHBondContact O-N 2.9Å; L209-L213 WeakPolarHBondContact O-CB 3.4Å; L209-L213 PolarHBondContact O-N 3.48Å; L209-L236 HydrophobicContact CB-CD2 4.39Å; L209-L236 HydrophobicContact CD2-CD2 3.92Å; L209-Q239 HydrophobicContact CD1-CB 3.91Å; L209-I240 HydrophobicContact CB-CD1 4.22Å; L209-I240 HydrophobicContact CB-CG1 3.62Å; L209-I240 HydrophobicContact CD1-CG1 4.38Å
210	D	97.8	Very high	97.4	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.353	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-46.6	178.5	-65.1	-67.8	0	0	0	110.2	K208 L213 E214 I240 R243	K208-D210 VanDerWaalsContact C-N 3.3Å; K208-D210 PolarHBondContact O-N 3.22Å; D210-L213 PolarHBondContact O-N 3.27Å; D210-E214 PolarHBondContact O-N 3.32Å; D210-I240 VanDerWaalsContact OD1-CG2 3.26Å; D210-I240 WeakPolarHBondContact OD1-CG2 3.5Å; D210-R243 IonicContact OD2-CZ 3.68Å; D210-R243 VanDerWaalsContact OD2-CZ 3.3Å; D210-R243 IonicContact OD2-NH1 2.75Å; D210-R243 PolarHBondContact OD2-NH1 3.03Å; D210-R243 IonicContact OD2-NH2 2.81Å; D210-R243 PolarHBondContact OD2-NH2 3.03Å
211	E	98.1	Very high	97.4	Very high	86 Å²	86	56.2 Å²	56.2	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-67.8	-39.5	176.6	-61.2	90.8	151.8	0	0	112.4	Y203 K208 L213 E214 D215	Y203-E211 HydrophobicContact CD1-CB 4.42Å; Y203-E211 HydrophobicContact CD2-CB 3.68Å; Y203-E211 HydrophobicContact CE1-CB 4.5Å; Y203-E211 HydrophobicContact CE2-CB 3.75Å; Y203-E211 HydrophobicContact CG-CB 4.03Å; K208-E211 WeakPolarHBondContact CA-OE2 3.32Å; K208-E211 HydrophobicContact CB-CB 4.41Å; K208-E211 WeakPolarHBondContact CB-OE2 3.4Å; K208-E211 PolarHBondContact O-N 2.86Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 2.86Å; E211-E214 PolarHBondContact O-N 2.9Å; E211-D215 PolarHBondContact O-N 3.3Å
212	A	98.2	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-45.4	174.4	0	0	0	0	0	111.6	E204 K208 E214 D215 Y216 L236	E204-A212 HydrophobicContact CG-CB 3.75Å; K208-A212 PolarHBondContact O-N 3.43Å; A212-E214 VanDerWaalsContact C-N 3.3Å; A212-E214 PolarHBondContact O-N 3.16Å; A212-D215 PolarHBondContact O-N 3.39Å; A212-Y216 HydrophobicContact CB-CE2 4.39Å; A212-Y216 WeakPolarHBondContact O-CD2 3.47Å; A212-Y216 PolarHBondContact O-N 3.01Å; A212-L236 HydrophobicContact CB-CD1 4.11Å
213	L	98.3	Very high	97	Very high	18 Å²	18	57.9 Å²	57.9	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-37.2	179.8	179.2	60.8	0	0	0	111.9	L209 D210 E211 Y216 K217 C233 L236 P237 I240	L209-L213 WeakPolarHBondContact O-CB 3.4Å; L209-L213 PolarHBondContact O-N 3.48Å; D210-L213 PolarHBondContact O-N 3.27Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 2.86Å; L213-Y216 PolarHBondContact O-N 3.43Å; L213-K217 HydrophobicContact CD1-CG 4.49Å; L213-K217 HydrophobicContact CG-CD 4.43Å; L213-K217 VanDerWaalsContact O-CG 3.31Å; L213-K217 WeakPolarHBondContact O-CG 3.44Å; L213-K217 PolarHBondContact O-N 2.95Å; L213-C233 HydrophobicContact CD1-CB 4.39Å; L213-L236 HydrophobicContact CB-CB 4.42Å; L213-L236 HydrophobicContact CB-CD1 4.09Å; L213-L236 HydrophobicContact CD1-CB 4.23Å; L213-L236 HydrophobicContact CD1-CD1 4.46Å; L213-P237 HydrophobicContact CD1-CG 4.42Å; L213-P237 HydrophobicContact CD2-CG 4.18Å; L213-I240 HydrophobicContact CB-CD1 4.17Å; L213-I240 HydrophobicContact CD2-CD1 3.7Å
214	E	98.2	Very high	96.9	Very high	104 Å²	104	60 Å²	60	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-42.8	177.4	-168.2	60.9	-162	0	0	112.1	D210 E211 A212 K217 T218	D210-E214 PolarHBondContact O-N 3.32Å; E211-E214 PolarHBondContact O-N 2.9Å; A212-E214 VanDerWaalsContact C-N 3.3Å; A212-E214 PolarHBondContact O-N 3.16Å; E214-K217 PolarHBondContact O-N 3.34Å; E214-T218 WeakPolarHBondContact O-CB 3.46Å; E214-T218 PolarHBondContact O-N 2.88Å; E214-T218 PolarHBondContact O-OG1 3.31Å
215	D	98.3	Very high	96.8	Very high	8 Å²	8	62 Å²	62	4%	0.043	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-43.2	174.8	-81.1	-13	0	0	0	111.4	R199 A200 E211 A212 K217 T218 I219	R199-D215 IonicContact CZ-OD1 2.88Å; R199-D215 IonicContact CZ-OD2 3.29Å; R199-D215 IonicContact NE-OD1 2.67Å; R199-D215 IonicContact NE-OD2 3.17Å; R199-D215 PolarHBondContact NE-OD2 3.4Å; R199-D215 IonicContact NH2-OD1 2.63Å; R199-D215 PolarHBondContact NH2-OD1 2.83Å; R199-D215 IonicContact NH2-OD2 3.12Å; R199-D215 PolarHBondContact NH2-OD2 3.43Å; A200-D215 HydrophobicContact CB-CB 3.74Å; E211-D215 PolarHBondContact O-N 3.3Å; A212-D215 PolarHBondContact O-N 3.39Å; D215-K217 PolarHBondContact O-N 3.5Å; D215-T218 WeakPolarHBondContact O-CB 3.4Å; D215-T218 PolarHBondContact O-N 3.37Å; D215-I219 WeakPolarHBondContact O-CD1 3.35Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.45Å; D215-I219 PolarHBondContact O-N 3.24Å
216	Y	98.4	Very high	96.8	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-37.8	177.2	-73.1	-54.3	0	0	0	113.4	L197 A200 E204 A212 L213 I219 L220 Q228 A229 A232 L236	L197-Y216 HydrophobicContact CD2-CD1 4.31Å; L197-Y216 HydrophobicContact CD2-CE1 3.95Å; A200-Y216 HydrophobicContact CB-CD1 3.94Å; A200-Y216 HydrophobicContact CB-CD2 3.89Å; A200-Y216 HydrophobicContact CB-CE1 3.62Å; A200-Y216 HydrophobicContact CB-CE2 3.54Å; A200-Y216 HydrophobicContact CB-CG 4.09Å; E204-Y216 HydrophobicContact CG-CE2 4.27Å; E204-Y216 WeakPolarHBondContact OE1-CE2 3.43Å; E204-Y216 PolarHBondContact OE1-OH 2.82Å; A212-Y216 HydrophobicContact CB-CE2 4.39Å; A212-Y216 WeakPolarHBondContact O-CD2 3.47Å; A212-Y216 PolarHBondContact O-N 3.01Å; L213-Y216 PolarHBondContact O-N 3.43Å; Y216-I219 HydrophobicContact CD1-CD1 3.94Å; Y216-I219 PolarHBondContact O-N 3.48Å; Y216-L220 WeakPolarHBondContact O-CG 3.42Å; Y216-L220 PolarHBondContact O-N 3.33Å; Y216-Q228 HydrophobicContact CE1-CG 4.46Å; Y216-A229 VanDerWaalsContact CD1-CA 3.47Å; Y216-A229 HydrophobicContact CD1-CB 3.66Å; Y216-A229 HydrophobicContact CE1-CB 4.5Å; Y216-A229 HydrophobicContact CG-CB 4.39Å; Y216-A232 HydrophobicContact CD1-CB 4.09Å; Y216-A232 HydrophobicContact CD2-CB 3.32Å; Y216-A232 HydrophobicContact CE1-CB 4.09Å; Y216-A232 HydrophobicContact CE2-CB 3.34Å; Y216-A232 HydrophobicContact CG-CB 3.71Å; Y216-L236 HydrophobicContact CD2-CD1 3.7Å; Y216-L236 HydrophobicContact CE2-CD1 3.96Å
217	K	98.1	Very high	96.8	Very high	93 Å²	93	62.2 Å²	62.2	40%	0.404	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-47.8	171.5	-74	171	-177.6	167.5	0	111	L213 E214 D215 I219 L220 E221	L213-K217 HydrophobicContact CD1-CG 4.49Å; L213-K217 HydrophobicContact CG-CD 4.43Å; L213-K217 VanDerWaalsContact O-CG 3.31Å; L213-K217 WeakPolarHBondContact O-CG 3.44Å; L213-K217 PolarHBondContact O-N 2.95Å; E214-K217 PolarHBondContact O-N 3.34Å; D215-K217 PolarHBondContact O-N 3.5Å; K217-I219 PolarHBondContact O-N 2.91Å; K217-L220 PolarHBondContact O-N 3.48Å; K217-E221 WeakPolarHBondContact O-CG 3.46Å; K217-E221 PolarHBondContact O-N 3.13Å
218	T	97.7	Very high	96.8	Very high	29 Å²	29	57.3 Å²	57.3	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-57.7	-36.8	177.4	-58.9	0	0	0	0	111.7	L196 E214 D215 K222	L196-T218 HydrophobicContact CD1-CG2 3.94Å; E214-T218 WeakPolarHBondContact O-CB 3.46Å; E214-T218 PolarHBondContact O-N 2.88Å; E214-T218 PolarHBondContact O-OG1 3.31Å; D215-T218 WeakPolarHBondContact O-CB 3.4Å; D215-T218 PolarHBondContact O-N 3.37Å; T218-K222 WeakPolarHBondContact O-CG 3.46Å; T218-K222 PolarHBondContact O-N 3.33Å
219	I	97.9	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-48.4	173.5	-69.7	154.5	0	0	0	111.1	I193 L196 L197 D215 Y216 K217 E221 K222 D223 V226 A229	I193-I219 HydrophobicContact CG2-CG2 4.01Å; L196-I219 HydrophobicContact CB-CD1 3.79Å; L196-I219 HydrophobicContact CB-CG1 3.62Å; L196-I219 HydrophobicContact CD1-CG1 4.13Å; L197-I219 HydrophobicContact CB-CD1 4.31Å; L197-I219 HydrophobicContact CD2-CD1 3.57Å; L197-I219 HydrophobicContact CD2-CG2 4.49Å; L197-I219 HydrophobicContact CG-CD1 3.63Å; L197-I219 HydrophobicContact CG-CG1 4.4Å; D215-I219 WeakPolarHBondContact O-CD1 3.35Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.45Å; D215-I219 PolarHBondContact O-N 3.24Å; Y216-I219 HydrophobicContact CD1-CD1 3.94Å; Y216-I219 PolarHBondContact O-N 3.48Å; K217-I219 PolarHBondContact O-N 2.91Å; I219-E221 VanDerWaalsContact C-N 3.29Å; I219-E221 PolarHBondContact O-N 2.91Å; I219-K222 PolarHBondContact O-N 2.98Å; I219-K222 VanDerWaalsContact O-N 3.08Å; I219-D223 PolarHBondContact O-N 3.01Å; I219-V226 HydrophobicContact CG2-CB 3.89Å; I219-V226 HydrophobicContact CG2-CG1 3.96Å; I219-V226 HydrophobicContact CG2-CG2 3.86Å; I219-A229 HydrophobicContact CB-CB 4.07Å; I219-A229 HydrophobicContact CG2-CB 3.69Å
220	L	97.3	Very high	96.8	Very high	39 Å²	39	58.4 Å²	58.4	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-28.4	-178.8	-69	177.1	0	0	0	113.4	Y216 K217 K222 P224 A229 R230 C233	Y216-L220 WeakPolarHBondContact O-CG 3.42Å; Y216-L220 PolarHBondContact O-N 3.33Å; K217-L220 PolarHBondContact O-N 3.48Å; L220-K222 VanDerWaalsContact C-N 3.29Å; L220-P224 WeakPolarHBondContact O-CG 3.47Å; L220-A229 HydrophobicContact CD2-CB 3.84Å; L220-A229 HydrophobicContact CG-CB 3.85Å; L220-R230 HydrophobicContact CD2-CB 4.2Å; L220-C233 HydrophobicContact CD1-CB 4.03Å
221	E	96.9	Very high	96.8	Very high	154 Å²	154	60.5 Å²	60.5	72%	0.72	30%	0.298	S	S	*	.	H	α-helix	trans	-64.1	-35.7	170.9	-73.1	178.3	179.9	0	0	111.9	K217 I219	K217-E221 WeakPolarHBondContact O-CG 3.46Å; K217-E221 PolarHBondContact O-N 3.13Å; I219-E221 VanDerWaalsContact C-N 3.29Å; I219-E221 PolarHBondContact O-N 2.91Å
222	K	94.3	Very high	96.7	Very high	77 Å²	77	56.5 Å²	56.5	34%	0.335	28%	0.279	S	S	.	.	H	α-helix	trans	-84.6	-45.7	179.6	-63.6	177.2	-157.7	-64.3	0	112.4	P190 N191 I193 L196 T218 I219 L220	P190-K222 WeakPolarHBondContact O-CE 3.38Å; P190-K222 PolarHBondContact O-NZ 3.19Å; N191-K222 HydrophobicContact CB-CD 4.47Å; N191-K222 PolarHBondContact OD1-NZ 3.26Å; I193-K222 HydrophobicContact CD1-CB 4.24Å; I193-K222 HydrophobicContact CG1-CB 4.4Å; I193-K222 HydrophobicContact CG1-CD 4.36Å; L196-K222 HydrophobicContact CD1-CD 4.38Å; T218-K222 WeakPolarHBondContact O-CG 3.46Å; T218-K222 PolarHBondContact O-N 3.33Å; I219-K222 PolarHBondContact O-N 2.98Å; I219-K222 VanDerWaalsContact O-N 3.08Å; L220-K222 VanDerWaalsContact C-N 3.29Å
223	D	94.2	Very high	96.7	Very high	54 Å²	54	57.8 Å²	57.8	29%	0.289	29%	0.288	S	S	.	.			trans	-140.3	97.7	179.9	-174.4	-4.7	0	0	0	110.8	I193 I219 S225 V226	I193-D223 HydrophobicContact CD1-CB 3.69Å; I219-D223 PolarHBondContact O-N 3.01Å; D223-S225 VanDerWaalsContact CG-OG 3.28Å; D223-S225 PolarHBondContact O-N 2.9Å; D223-S225 VanDerWaalsContact O-N 3.12Å; D223-S225 WeakPolarHBondContact OD1-CB 3.47Å; D223-S225 PolarHBondContact OD1-N 3.34Å; D223-S225 PolarHBondContact OD1-OG 2.76Å; D223-S225 PolarHBondContact OD2-OG 2.95Å; D223-V226 HydrophobicContact CB-CG2 3.9Å; D223-V226 WeakPolarHBondContact O-CG2 3.35Å; D223-V226 PolarHBondContact O-N 3.02Å
224	P	94.9	Very high	96.6	Very high	84 Å²	84	64.3 Å²	64.3	55%	0.545	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.7	177.7	-21.4	31.8	0	0	0	114.5	L220 V226 R230	L220-P224 WeakPolarHBondContact O-CG 3.47Å; P224-V226 VanDerWaalsContact C-N 3.33Å; P224-R230 PolarHBondContact O-NH2 3.34Å
225	S	94.9	Very high	96.5	Very high	82 Å²	82	63.4 Å²	63.4	57%	0.573	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-13.9	-177	78.4	0	0	0	0	113.4	D223 H227	D223-S225 VanDerWaalsContact CG-OG 3.28Å; D223-S225 PolarHBondContact O-N 2.9Å; D223-S225 VanDerWaalsContact O-N 3.12Å; D223-S225 WeakPolarHBondContact OD1-CB 3.47Å; D223-S225 PolarHBondContact OD1-N 3.34Å; D223-S225 PolarHBondContact OD1-OG 2.76Å; D223-S225 PolarHBondContact OD2-OG 2.95Å; S225-H227 PolarHBondContact O-N 2.91Å
226	V	95.7	Very high	96.5	Very high	22 Å²	22	63 Å²	63	13%	0.133	31%	0.31	C	S	.	.			trans	-67.2	102.1	-178.6	-175.9	0	0	0	0	110.6	I193 L197 I219 D223 P224 Q228 A229 R230	I193-V226 HydrophobicContact CG2-CG2 4.39Å; L197-V226 HydrophobicContact CD1-CG1 4.08Å; L197-V226 HydrophobicContact CD2-CG1 3.99Å; I219-V226 HydrophobicContact CG2-CB 3.89Å; I219-V226 HydrophobicContact CG2-CG1 3.96Å; I219-V226 HydrophobicContact CG2-CG2 3.86Å; D223-V226 HydrophobicContact CB-CG2 3.9Å; D223-V226 WeakPolarHBondContact O-CG2 3.35Å; D223-V226 PolarHBondContact O-N 3.02Å; P224-V226 VanDerWaalsContact C-N 3.33Å; V226-Q228 PolarHBondContact O-N 3.49Å; V226-A229 HydrophobicContact CB-CB 4.22Å; V226-A229 HydrophobicContact CG1-CB 3.93Å; V226-A229 PolarHBondContact O-N 3.23Å; V226-R230 PolarHBondContact O-N 2.77Å
227	H	95.5	Very high	96.4	Very high	126 Å²	126	65.7 Å²	65.7	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-59.5	-46.4	-176.4	-176.4	-79	0	0	0	112.6	S225 A229 R230 E231	S225-H227 PolarHBondContact O-N 2.91Å; H227-A229 VanDerWaalsContact C-N 3.29Å; H227-A229 PolarHBondContact O-N 3.14Å; H227-R230 WeakPolarHBondContact O-CB 3.18Å; H227-R230 PolarHBondContact O-N 2.93Å; H227-R230 VanDerWaalsContact O-N 3.08Å; H227-E231 IonicContact CE1-OE2 2.76Å; H227-E231 PolarHBondContact CE1-OE2 3.25Å; H227-E231 IonicContact ND1-OE2 3.61Å; H227-E231 PolarHBondContact O-N 3.37Å
228	Q	94.8	Very high	96.3	Very high	60 Å²	60	69.2 Å²	69.2	28%	0.28	34%	0.339	S	S	.	.	H	α-helix	trans	-55.6	-44.7	-179	-173.9	-177.6	-1.4	0	0	111.7	L197 Y216 V226 E231 A232	L197-Q228 HydrophobicContact CD2-CB 4.48Å; Y216-Q228 HydrophobicContact CE1-CG 4.46Å; V226-Q228 PolarHBondContact O-N 3.49Å; Q228-E231 PolarHBondContact O-N 2.81Å; Q228-A232 WeakPolarHBondContact O-CB 3.17Å; Q228-A232 PolarHBondContact O-N 3.48Å
229	A	96.6	Very high	96.2	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-37	178.6	0	0	0	0	0	112.4	Y216 I219 L220 V226 H227 C233	Y216-A229 VanDerWaalsContact CD1-CA 3.47Å; Y216-A229 HydrophobicContact CD1-CB 3.66Å; Y216-A229 HydrophobicContact CE1-CB 4.5Å; Y216-A229 HydrophobicContact CG-CB 4.39Å; I219-A229 HydrophobicContact CB-CB 4.07Å; I219-A229 HydrophobicContact CG2-CB 3.69Å; L220-A229 HydrophobicContact CD2-CB 3.84Å; L220-A229 HydrophobicContact CG-CB 3.85Å; V226-A229 HydrophobicContact CB-CB 4.22Å; V226-A229 HydrophobicContact CG1-CB 3.93Å; V226-A229 PolarHBondContact O-N 3.23Å; H227-A229 VanDerWaalsContact C-N 3.29Å; H227-A229 PolarHBondContact O-N 3.14Å; A229-C233 WeakPolarHBondContact O-CB 3.47Å; A229-C233 PolarHBondContact O-N 2.96Å; A229-C233 PolarHBondContact O-SG 3.32Å; A229-C233 VanDerWaalsContact O-SG 3.34Å
230	R	97.2	Very high	96.1	Very high	121 Å²	121	71.8 Å²	71.8	46%	0.457	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-45.1	175.9	-170.1	-174.1	-59.8	160.9	2.7	111.7	L220 P224 V226 H227 C233 M234	L220-R230 HydrophobicContact CD2-CB 4.2Å; P224-R230 PolarHBondContact O-NH2 3.34Å; V226-R230 PolarHBondContact O-N 2.77Å; H227-R230 WeakPolarHBondContact O-CB 3.18Å; H227-R230 PolarHBondContact O-N 2.93Å; H227-R230 VanDerWaalsContact O-N 3.08Å; R230-C233 PolarHBondContact O-N 3.09Å; R230-M234 WeakPolarHBondContact O-CG 3.37Å; R230-M234 PolarHBondContact O-N 2.68Å
231	E	96.8	Very high	96.1	Very high	110 Å²	110	75.6 Å²	75.6	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-47.4	178	-174.5	-179.2	167.2	0	0	111.3	H227 Q228 C233 M234 R235	H227-E231 IonicContact CE1-OE2 2.76Å; H227-E231 PolarHBondContact CE1-OE2 3.25Å; H227-E231 IonicContact ND1-OE2 3.61Å; H227-E231 PolarHBondContact O-N 3.37Å; Q228-E231 PolarHBondContact O-N 2.81Å; E231-C233 PolarHBondContact O-N 3.4Å; E231-M234 PolarHBondContact O-N 2.97Å; E231-M234 VanDerWaalsContact O-N 3.11Å; E231-R235 PolarHBondContact O-N 2.89Å
232	A	96.8	Very high	96	Very high	2 Å²	2	72.7 Å²	72.7	2%	0.017	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-43.5	177.4	0	0	0	0	0	112.1	Y216 Q228 M234 R235 L236	Y216-A232 HydrophobicContact CD1-CB 4.09Å; Y216-A232 HydrophobicContact CD2-CB 3.32Å; Y216-A232 HydrophobicContact CE1-CB 4.09Å; Y216-A232 HydrophobicContact CE2-CB 3.34Å; Y216-A232 HydrophobicContact CG-CB 3.71Å; Q228-A232 WeakPolarHBondContact O-CB 3.17Å; Q228-A232 PolarHBondContact O-N 3.48Å; A232-M234 PolarHBondContact O-N 3.28Å; A232-R235 PolarHBondContact O-N 3.3Å; A232-R235 VanDerWaalsContact O-N 3.13Å; A232-L236 HydrophobicContact CB-CD1 4.09Å; A232-L236 HydrophobicContact CB-CG 4.49Å; A232-L236 VanDerWaalsContact O-CB 3.3Å; A232-L236 WeakPolarHBondContact O-CB 3.37Å; A232-L236 WeakPolarHBondContact O-CG 3.35Å; A232-L236 PolarHBondContact O-N 3.28Å
233	C	97.1	Very high	96	Very high	27 Å²	27	73.1 Å²	73.1	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-24.1	175.8	-79.4	0	0	0	0	114.2	L213 L220 A229 R230 E231 P237	L213-C233 HydrophobicContact CD1-CB 4.39Å; L220-C233 HydrophobicContact CD1-CB 4.03Å; A229-C233 WeakPolarHBondContact O-CB 3.47Å; A229-C233 PolarHBondContact O-N 2.96Å; A229-C233 PolarHBondContact O-SG 3.32Å; A229-C233 VanDerWaalsContact O-SG 3.34Å; R230-C233 PolarHBondContact O-N 3.09Å; E231-C233 PolarHBondContact O-N 3.4Å; C233-P237 WeakPolarHBondContact O-CD 3.47Å; C233-P237 VanDerWaalsContact O-CG 3.27Å; C233-P237 WeakPolarHBondContact O-CG 3.45Å
234	M	96.4	Very high	95.9	Very high	156 Å²	156	73.7 Å²	73.7	77%	0.768	36%	0.355	S	S	*	.	H	α-helix	trans	-83.2	-35.7	174	-68.6	-70.3	-177.1	0	0	112.2	R230 E231 A232	R230-M234 WeakPolarHBondContact O-CG 3.37Å; R230-M234 PolarHBondContact O-N 2.68Å; E231-M234 PolarHBondContact O-N 2.97Å; E231-M234 VanDerWaalsContact O-N 3.11Å; A232-M234 PolarHBondContact O-N 3.28Å
235	R	97	Very high	96	Very high	85 Å²	85	75.6 Å²	75.6	32%	0.321	36%	0.356	S	S	.	.	H	α-helix	trans	-84.2	-48	-174.7	175.6	176.5	52.8	74	-0.9	113.3	E204 E231 A232 P237 R238 Q239	E204-R235 IonicContact OE1-CZ 3.45Å; E204-R235 IonicContact OE1-NH2 3.96Å; E204-R235 PolarHBondContact OE1-NH2 2.91Å; E204-R235 IonicContact OE2-CZ 2.68Å; E204-R235 IonicContact OE2-NH1 3.69Å; E204-R235 PolarHBondContact OE2-NH1 2.93Å; E204-R235 IonicContact OE2-NH2 3.66Å; E204-R235 PolarHBondContact OE2-NH2 3.49Å; E231-R235 PolarHBondContact O-N 2.89Å; A232-R235 PolarHBondContact O-N 3.3Å; A232-R235 VanDerWaalsContact O-N 3.13Å; R235-P237 VanDerWaalsContact C-CD 3.5Å; R235-R238 PolarHBondContact O-N 3.49Å; R235-Q239 HydrophobicContact CG-CG 4.5Å
236	L	97.1	Very high	96	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-39.9	-170.5	-72.6	175.4	0	0	0	114.4	E204 L209 A212 L213 Y216 A232 R238 Q239 I240	E204-L236 HydrophobicContact CG-CD1 4.5Å; E204-L236 HydrophobicContact CG-CD2 4.2Å; L209-L236 HydrophobicContact CB-CD2 4.39Å; L209-L236 HydrophobicContact CD2-CD2 3.92Å; A212-L236 HydrophobicContact CB-CD1 4.11Å; L213-L236 HydrophobicContact CB-CB 4.42Å; L213-L236 HydrophobicContact CB-CD1 4.09Å; L213-L236 HydrophobicContact CD1-CB 4.23Å; L213-L236 HydrophobicContact CD1-CD1 4.46Å; Y216-L236 HydrophobicContact CD2-CD1 3.7Å; Y216-L236 HydrophobicContact CE2-CD1 3.96Å; A232-L236 HydrophobicContact CB-CD1 4.09Å; A232-L236 HydrophobicContact CB-CG 4.49Å; A232-L236 VanDerWaalsContact O-CB 3.3Å; A232-L236 WeakPolarHBondContact O-CB 3.37Å; A232-L236 WeakPolarHBondContact O-CG 3.35Å; A232-L236 PolarHBondContact O-N 3.28Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 3.07Å; L236-Q239 PolarHBondContact O-N 3.4Å; L236-Q239 VanDerWaalsContact O-N 3.07Å; L236-I240 HydrophobicContact CB-CD1 4.42Å; L236-I240 VanDerWaalsContact O-CG1 3.31Å; L236-I240 WeakPolarHBondContact O-CG1 3.17Å; L236-I240 PolarHBondContact O-N 2.9Å
237	P	97.4	Very high	95.8	Very high	58 Å²	58	80.9 Å²	80.9	38%	0.377	37%	0.37	S	S	.	.	H	α-helix	trans	-56.1	-40.5	-179.4	-28.2	36.4	0	0	0	113.5	L213 C233 R235 I240 E241	L213-P237 HydrophobicContact CD1-CG 4.42Å; L213-P237 HydrophobicContact CD2-CG 4.18Å; C233-P237 WeakPolarHBondContact O-CD 3.47Å; C233-P237 VanDerWaalsContact O-CG 3.27Å; C233-P237 WeakPolarHBondContact O-CG 3.45Å; R235-P237 VanDerWaalsContact C-CD 3.5Å; P237-I240 PolarHBondContact O-N 3.46Å; P237-E241 PolarHBondContact O-N 2.83Å
238	R	95.7	Very high	95.8	Very high	168 Å²	168	82.4 Å²	82.4	63%	0.634	38%	0.375	S	S	*	.	H	α-helix	trans	-66.5	-42	178	-158.7	-170	99.4	170.8	7.4	111.6	R235 L236 E241 E242	R235-R238 PolarHBondContact O-N 3.49Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 3.07Å; R238-E241 PolarHBondContact O-N 3.33Å; R238-E242 IonicContact CZ-OE1 3.16Å; R238-E242 IonicContact NE-OE1 2.74Å; R238-E242 PolarHBondContact NE-OE1 3.13Å; R238-E242 IonicContact NH2-OE1 2.83Å; R238-E242 PolarHBondContact NH2-OE1 3.03Å; R238-E242 WeakPolarHBondContact O-CB 3.29Å; R238-E242 WeakPolarHBondContact O-CG 3.4Å; R238-E242 PolarHBondContact O-N 3.4Å
239	Q	95.8	Very high	95.7	Very high	68 Å²	68	87.6 Å²	87.6	32%	0.318	40%	0.397	S	S	.	.	H	α-helix	trans	-66.6	-38.7	178.7	-66.8	-179.9	-23.5	0	0	111.8	L209 R235 L236 E242 R243	L209-Q239 HydrophobicContact CD1-CB 3.91Å; R235-Q239 HydrophobicContact CG-CG 4.5Å; L236-Q239 PolarHBondContact O-N 3.4Å; L236-Q239 VanDerWaalsContact O-N 3.07Å; Q239-E242 PolarHBondContact O-N 3.3Å; Q239-R243 WeakPolarHBondContact O-CB 3.37Å; Q239-R243 PolarHBondContact O-N 3.43Å
240	I	96.3	Very high	95.7	Very high	14 Å²	14	91.7 Å²	91.7	7%	0.072	42%	0.416	C	S	.	.	H	α-helix	trans	-62.8	-45.3	174.5	-68.5	163.9	0	0	0	110.4	L209 D210 L213 L236 P237 R243 N244	L209-I240 HydrophobicContact CB-CD1 4.22Å; L209-I240 HydrophobicContact CB-CG1 3.62Å; L209-I240 HydrophobicContact CD1-CG1 4.38Å; D210-I240 VanDerWaalsContact OD1-CG2 3.26Å; D210-I240 WeakPolarHBondContact OD1-CG2 3.5Å; L213-I240 HydrophobicContact CB-CD1 4.17Å; L213-I240 HydrophobicContact CD2-CD1 3.7Å; L236-I240 HydrophobicContact CB-CD1 4.42Å; L236-I240 VanDerWaalsContact O-CG1 3.31Å; L236-I240 WeakPolarHBondContact O-CG1 3.17Å; L236-I240 PolarHBondContact O-N 2.9Å; P237-I240 PolarHBondContact O-N 3.46Å; I240-R243 PolarHBondContact O-N 2.89Å; I240-N244 VanDerWaalsContact O-CB 3.31Å; I240-N244 WeakPolarHBondContact O-CB 3.45Å; I240-N244 PolarHBondContact O-N 2.9Å; I240-N244 PolarHBondContact O-ND2 3.12Å
241	E	95.7	Very high	95.6	Very high	120 Å²	120	90.8 Å²	90.8	56%	0.561	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-48.4	177.1	-172.3	169.3	-156.4	0	0	111.6	P237 R238 R243 N244 E245	P237-E241 PolarHBondContact O-N 2.83Å; R238-E241 PolarHBondContact O-N 3.33Å; E241-R243 VanDerWaalsContact C-N 3.35Å; E241-R243 PolarHBondContact O-N 3.18Å; E241-N244 PolarHBondContact O-N 3.4Å; E241-N244 VanDerWaalsContact O-N 3.1Å; E241-E245 WeakPolarHBondContact O-CG 3.45Å; E241-E245 PolarHBondContact O-N 2.77Å
242	E	95.5	Very high	95.3	Very high	92 Å²	92	90 Å²	90	43%	0.43	42%	0.417	S	S	.	.	H	α-helix	trans	-57.2	-45	175.6	-74.2	173.9	-165.6	0	0	111.9	R238 Q239 N244 E245 K246	R238-E242 IonicContact CZ-OE1 3.16Å; R238-E242 IonicContact NE-OE1 2.74Å; R238-E242 PolarHBondContact NE-OE1 3.13Å; R238-E242 IonicContact NH2-OE1 2.83Å; R238-E242 PolarHBondContact NH2-OE1 3.03Å; R238-E242 WeakPolarHBondContact O-CB 3.29Å; R238-E242 WeakPolarHBondContact O-CG 3.4Å; R238-E242 PolarHBondContact O-N 3.4Å; Q239-E242 PolarHBondContact O-N 3.3Å; E242-N244 PolarHBondContact O-N 3.1Å; E242-E245 PolarHBondContact O-N 3.12Å; E242-K246 WeakPolarHBondContact O-CB 3.47Å; E242-K246 PolarHBondContact O-N 3.16Å
243	R	94.4	Very high	95.1	Very high	86 Å²	86	91.2 Å²	91.2	33%	0.325	43%	0.43	S	S	.	.	H	α-helix	trans	-59	-47	174.2	-173.1	-149.6	75.3	-173.4	-4.2	111	D210 Q239 I240 E241 K246 L247	D210-R243 IonicContact OD2-CZ 3.68Å; D210-R243 VanDerWaalsContact OD2-CZ 3.3Å; D210-R243 IonicContact OD2-NH1 2.75Å; D210-R243 PolarHBondContact OD2-NH1 3.03Å; D210-R243 IonicContact OD2-NH2 2.81Å; D210-R243 PolarHBondContact OD2-NH2 3.03Å; Q239-R243 WeakPolarHBondContact O-CB 3.37Å; Q239-R243 PolarHBondContact O-N 3.43Å; I240-R243 PolarHBondContact O-N 2.89Å; E241-R243 VanDerWaalsContact C-N 3.35Å; E241-R243 PolarHBondContact O-N 3.18Å; R243-K246 PolarHBondContact O-N 3.25Å; R243-L247 HydrophobicContact CG-CD1 4.01Å; R243-L247 WeakPolarHBondContact O-CB 3.44Å; R243-L247 WeakPolarHBondContact O-CG 3.29Å; R243-L247 PolarHBondContact O-N 3.03Å
244	N	93.3	Very high	95	Very high	67 Å²	67	96.4 Å²	96.4	36%	0.358	45%	0.449	S	S	.	.	H	α-helix	trans	-64.9	-40.7	-178.3	-73	-18.2	0	0	0	112.2	I240 E241 E242 K248	I240-N244 VanDerWaalsContact O-CB 3.31Å; I240-N244 WeakPolarHBondContact O-CB 3.45Å; I240-N244 PolarHBondContact O-N 2.9Å; I240-N244 PolarHBondContact O-ND2 3.12Å; E241-N244 PolarHBondContact O-N 3.4Å; E241-N244 VanDerWaalsContact O-N 3.1Å; E242-N244 PolarHBondContact O-N 3.1Å; N244-K248 VanDerWaalsContact O-CB 3.22Å; N244-K248 WeakPolarHBondContact O-CB 3.47Å; N244-K248 PolarHBondContact O-N 3.48Å
245	E	95.2	Very high	94.9	Very high	124 Å²	124	94.2 Å²	94.2	58%	0.579	44%	0.44	S	S	*	.	H	α-helix	trans	-64.8	-42.9	175	-71.8	-165.2	150.5	0	0	112	E241 E242 K248 K249	E241-E245 WeakPolarHBondContact O-CG 3.45Å; E241-E245 PolarHBondContact O-N 2.77Å; E242-E245 PolarHBondContact O-N 3.12Å; E245-K248 PolarHBondContact O-N 2.9Å; E245-K249 WeakPolarHBondContact O-CB 3.42Å; E245-K249 PolarHBondContact O-N 3.47Å
246	K	94.9	Very high	94.6	Very high	139 Å²	139	95.2 Å²	95.2	60%	0.604	45%	0.447	S	S	*	.	H	α-helix	trans	-60.2	-50.8	175.4	-174.5	-178	175.8	-172.4	0	111.1	E242 R243 K248 K249 E250	E242-K246 WeakPolarHBondContact O-CB 3.47Å; E242-K246 PolarHBondContact O-N 3.16Å; R243-K246 PolarHBondContact O-N 3.25Å; K246-K248 VanDerWaalsContact C-N 3.32Å; K246-K248 PolarHBondContact O-N 3.46Å; K246-K249 WeakPolarHBondContact O-CB 3.41Å; K246-K249 PolarHBondContact O-N 3.06Å; K246-E250 WeakPolarHBondContact CE-OE1 3.21Å; K246-E250 WeakPolarHBondContact O-CG 3.44Å; K246-E250 PolarHBondContact O-N 3.3Å
247	L	92.8	Very high	94.4	Very high	75 Å²	75	100.4 Å²	100.4	39%	0.393	48%	0.475	S	S	.	.	H	α-helix	trans	-58.7	-43.6	176.6	-73.9	170.4	0	0	0	111.6	R243 K249 E250 M251	R243-L247 HydrophobicContact CG-CD1 4.01Å; R243-L247 WeakPolarHBondContact O-CB 3.44Å; R243-L247 WeakPolarHBondContact O-CG 3.29Å; R243-L247 PolarHBondContact O-N 3.03Å; L247-K249 VanDerWaalsContact C-N 3.34Å; L247-K249 PolarHBondContact O-N 2.85Å; L247-E250 PolarHBondContact O-N 3.45Å; L247-M251 WeakPolarHBondContact O-CB 3.37Å; L247-M251 VanDerWaalsContact O-CG 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.35Å; L247-M251 PolarHBondContact O-N 3.24Å
248	K	94.3	Very high	94.3	Very high	159 Å²	159	102.5 Å²	102.5	69%	0.691	48%	0.482	S	S	*	.	H	α-helix	trans	-60.1	-42.8	176.6	-177.9	-179.9	179.6	-178.2	0	111.8	N244 E245 K246 L252	N244-K248 VanDerWaalsContact O-CB 3.22Å; N244-K248 WeakPolarHBondContact O-CB 3.47Å; N244-K248 PolarHBondContact O-N 3.48Å; E245-K248 PolarHBondContact O-N 2.9Å; K246-K248 VanDerWaalsContact C-N 3.32Å; K246-K248 PolarHBondContact O-N 3.46Å; K248-L252 VanDerWaalsContact O-CB 3.29Å; K248-L252 WeakPolarHBondContact O-CB 3.48Å; K248-L252 PolarHBondContact O-N 3.43Å
249	K	94.4	Very high	94.1	Very high	168 Å²	168	95.5 Å²	95.5	73%	0.73	46%	0.462	S	S	*	.	H	α-helix	trans	-64.8	-44.2	178	-174.4	179.3	178.5	-178.1	0	111.7	E245 K246 L247 L252 G253	E245-K249 WeakPolarHBondContact O-CB 3.42Å; E245-K249 PolarHBondContact O-N 3.47Å; K246-K249 WeakPolarHBondContact O-CB 3.41Å; K246-K249 PolarHBondContact O-N 3.06Å; L247-K249 VanDerWaalsContact C-N 3.34Å; L247-K249 PolarHBondContact O-N 2.85Å; K249-L252 PolarHBondContact O-N 3.46Å; K249-G253 PolarHBondContact O-N 2.81Å
250	E	95.4	Very high	93.9	Very high	86 Å²	86	94.2 Å²	94.2	40%	0.402	46%	0.457	S	S	.	.	H	α-helix	trans	-63.9	-45.4	177	-71.8	178.2	-169.1	0	0	111.9	K246 L247 L252 G253 K254	K246-E250 WeakPolarHBondContact CE-OE1 3.21Å; K246-E250 WeakPolarHBondContact O-CG 3.44Å; K246-E250 PolarHBondContact O-N 3.3Å; L247-E250 PolarHBondContact O-N 3.45Å; E250-L252 PolarHBondContact O-N 3.43Å; E250-G253 PolarHBondContact O-N 2.81Å; E250-K254 WeakPolarHBondContact O-CG 3.26Å; E250-K254 PolarHBondContact O-N 3.15Å
251	M	94.8	Very high	93.8	Very high	102 Å²	102	99.1 Å²	99.1	50%	0.502	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-43.3	176	-70.9	-62	104.7	0	0	111.8	L247 G253 K254 L255	L247-M251 WeakPolarHBondContact O-CB 3.37Å; L247-M251 VanDerWaalsContact O-CG 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.35Å; L247-M251 PolarHBondContact O-N 3.24Å; M251-G253 VanDerWaalsContact C-N 3.32Å; M251-G253 PolarHBondContact O-N 2.83Å; M251-K254 HydrophobicContact CE-CD 3.89Å; M251-K254 PolarHBondContact O-N 3.27Å; M251-L255 WeakPolarHBondContact O-CB 3.36Å; M251-L255 PolarHBondContact O-N 3.05Å
252	L	90.8	Very high	93.6	Very high	94 Å²	94	97.8 Å²	97.8	49%	0.492	48%	0.483	S	S	.	.	H	α-helix	trans	-64.6	-37.5	176.8	-174	64.9	0	0	0	111.8	K248 K249 E250 L255 K256	K248-L252 VanDerWaalsContact O-CB 3.29Å; K248-L252 WeakPolarHBondContact O-CB 3.48Å; K248-L252 PolarHBondContact O-N 3.43Å; K249-L252 PolarHBondContact O-N 3.46Å; E250-L252 PolarHBondContact O-N 3.43Å; L252-L255 PolarHBondContact O-N 2.93Å; L252-K256 WeakPolarHBondContact O-CB 3.39Å; L252-K256 VanDerWaalsContact O-CG 3.32Å; L252-K256 WeakPolarHBondContact O-CG 3.45Å; L252-K256 PolarHBondContact O-N 2.87Å
253	G	92.7	Very high	93.4	Very high	28 Å²	28	95 Å²	95	29%	0.289	47%	0.471	S	S	.	.	H	α-helix	trans	-59.2	-54.2	172.6	0	0	0	0	0	111.7	K249 E250 M251 L255 K256 D257	K249-G253 PolarHBondContact O-N 2.81Å; E250-G253 PolarHBondContact O-N 2.81Å; M251-G253 VanDerWaalsContact C-N 3.32Å; M251-G253 PolarHBondContact O-N 2.83Å; G253-L255 VanDerWaalsContact C-N 3.26Å; G253-L255 PolarHBondContact O-N 3.08Å; G253-K256 WeakPolarHBondContact O-CB 3.42Å; G253-K256 PolarHBondContact O-N 2.99Å; G253-D257 PolarHBondContact O-N 2.96Å
254	K	95.4	Very high	93.1	Very high	135 Å²	135	100.4 Å²	100.4	59%	0.587	49%	0.491	S	S	*	.	H	α-helix	trans	-57.8	-38.6	177.5	-68.5	179.3	-176.1	178.1	0	112.4	E250 M251 D257 L258	E250-K254 WeakPolarHBondContact O-CG 3.26Å; E250-K254 PolarHBondContact O-N 3.15Å; M251-K254 HydrophobicContact CE-CD 3.89Å; M251-K254 PolarHBondContact O-N 3.27Å; K254-D257 PolarHBondContact O-N 2.63Å; K254-L258 WeakPolarHBondContact O-CB 3.47Å; K254-L258 PolarHBondContact O-N 3.49Å
255	L	94.1	Very high	93.1	Very high	111 Å²	111	102.2 Å²	102.2	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-68.8	-37.4	177.3	-171.7	62.3	0	0	0	112.2	M251 L252 G253 G259	M251-L255 WeakPolarHBondContact O-CB 3.36Å; M251-L255 PolarHBondContact O-N 3.05Å; L252-L255 PolarHBondContact O-N 2.93Å; G253-L255 VanDerWaalsContact C-N 3.26Å; G253-L255 PolarHBondContact O-N 3.08Å; L255-G259 PolarHBondContact O-N 3.24Å
256	K	90.9	Very high	92.8	Very high	105 Å²	105	103.6 Å²	103.6	46%	0.457	51%	0.511	S	S	.	.	H	α-helix	trans	-63.8	-44.5	173	-78.1	176.1	169.8	-172.8	0	111.6	L252 G253 L258 G259 N260	L252-K256 WeakPolarHBondContact O-CB 3.39Å; L252-K256 VanDerWaalsContact O-CG 3.32Å; L252-K256 WeakPolarHBondContact O-CG 3.45Å; L252-K256 PolarHBondContact O-N 2.87Å; G253-K256 WeakPolarHBondContact O-CB 3.42Å; G253-K256 PolarHBondContact O-N 2.99Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 3.29Å; K256-G259 PolarHBondContact O-N 2.73Å; K256-N260 WeakPolarHBondContact O-CB 3.19Å; K256-N260 PolarHBondContact O-N 3.29Å; K256-N260 PolarHBondContact O-ND2 2.88Å
257	D	93.2	Very high	92.4	Very high	110 Å²	110	98.9 Å²	98.9	59%	0.588	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-42.7	178.4	-64.5	-28.3	0	0	0	111.4	G253 K254 N260 L261	G253-D257 PolarHBondContact O-N 2.96Å; K254-D257 PolarHBondContact O-N 2.63Å; D257-N260 PolarHBondContact O-N 3.31Å; D257-L261 PolarHBondContact O-N 3.13Å
258	L	94.9	Very high	92.1	Very high	102 Å²	102	97.8 Å²	97.8	53%	0.534	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-44.3	173.8	-177.5	61.2	0	0	0	111.9	K254 K256 N260 L261 V262	K254-L258 WeakPolarHBondContact O-CB 3.47Å; K254-L258 PolarHBondContact O-N 3.49Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 3.29Å; L258-N260 VanDerWaalsContact C-N 3.35Å; L258-N260 PolarHBondContact O-N 3.43Å; L258-L261 WeakPolarHBondContact O-CB 3.27Å; L258-L261 PolarHBondContact O-N 3.02Å; L258-V262 PolarHBondContact O-N 2.86Å
259	G	91.8	Very high	91.8	Very high	21 Å²	21	90.9 Å²	90.9	22%	0.216	47%	0.469	C	S	.	.	H	α-helix	trans	-61	-43.4	175.2	0	0	0	0	0	112.1	L255 K256 L261 V262 L263	L255-G259 PolarHBondContact O-N 3.24Å; K256-G259 PolarHBondContact O-N 2.73Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-L261 PolarHBondContact O-N 3.42Å; G259-V262 PolarHBondContact O-N 3.4Å; G259-L263 WeakPolarHBondContact O-CB 3.37Å; G259-L263 WeakPolarHBondContact O-CG 3.41Å; G259-L263 PolarHBondContact O-N 3.15Å
260	N	91.8	Very high	91.5	Very high	40 Å²	40	84.4 Å²	84.4	21%	0.214	44%	0.443	C	S	.	.	H	α-helix	trans	-63.8	-35.4	176.8	-77.2	-36.1	0	0	0	112.5	K256 D257 L258 V262 L263 R264 S269 T270	K256-N260 WeakPolarHBondContact O-CB 3.19Å; K256-N260 PolarHBondContact O-N 3.29Å; K256-N260 PolarHBondContact O-ND2 2.88Å; D257-N260 PolarHBondContact O-N 3.31Å; L258-N260 VanDerWaalsContact C-N 3.35Å; L258-N260 PolarHBondContact O-N 3.43Å; N260-V262 VanDerWaalsContact C-N 3.31Å; N260-V262 PolarHBondContact O-N 2.94Å; N260-L263 PolarHBondContact O-N 3.36Å; N260-R264 WeakPolarHBondContact O-CB 3.37Å; N260-R264 PolarHBondContact O-N 2.84Å; N260-S269 VanDerWaalsContact OD1-CA 3.23Å; N260-S269 WeakPolarHBondContact OD1-CA 3.22Å; N260-S269 WeakPolarHBondContact OD1-CB 3.42Å; N260-S269 PolarHBondContact OD1-OG 3.15Å; N260-T270 PolarHBondContact ND2-OG1 2.84Å; N260-T270 PolarHBondContact OD1-N 3.15Å; N260-T270 PolarHBondContact OD1-OG1 3.15Å
261	L	93.3	Very high	91	Very high	117 Å²	117	86.7 Å²	86.7	61%	0.613	45%	0.454	S	S	*	.	H	α-helix	trans	-60.9	-41.4	175	-176.3	65.3	0	0	0	111.8	D257 L258 G259 P265	D257-L261 PolarHBondContact O-N 3.13Å; L258-L261 WeakPolarHBondContact O-CB 3.27Å; L258-L261 PolarHBondContact O-N 3.02Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-L261 PolarHBondContact O-N 3.42Å; L261-P265 WeakPolarHBondContact O-CD 3.2Å
262	V	92.5	Very high	90.7	Very high	92 Å²	92	82.2 Å²	82.2	56%	0.558	43%	0.432	S	S	*	.	H	α-helix	trans	-73.8	-35	177.9	177.1	0	0	0	0	111.9	L258 G259 N260 P265 F266	L258-V262 PolarHBondContact O-N 2.86Å; G259-V262 PolarHBondContact O-N 3.4Å; N260-V262 VanDerWaalsContact C-N 3.31Å; N260-V262 PolarHBondContact O-N 2.94Å; V262-P265 WeakPolarHBondContact O-CD 3.41Å; V262-F266 WeakPolarHBondContact O-CD2 3.46Å; V262-F266 WeakPolarHBondContact O-CE2 3.43Å
263	L	90.5	Very high	90.5	Very high	35 Å²	35	81.8 Å²	81.8	18%	0.183	43%	0.426	C	S	.	.	H	α-helix	trans	-84.9	-25.6	-175.1	-70.3	175.8	0	0	0	113.7	G259 N260 F266 G267 L268 T270 F273	G259-L263 WeakPolarHBondContact O-CB 3.37Å; G259-L263 WeakPolarHBondContact O-CG 3.41Å; G259-L263 PolarHBondContact O-N 3.15Å; N260-L263 PolarHBondContact O-N 3.36Å; L263-F266 WeakPolarHBondContact O-CA 3.45Å; L263-F266 WeakPolarHBondContact O-CB 3.48Å; L263-F266 PolarHBondContact O-N 3.44Å; L263-G267 PolarHBondContact O-N 3.4Å; L263-L268 CarbonylContact C-O 3.59Å; L263-L268 HydrophobicContact CB-CB 3.8Å; L263-L268 VanDerWaalsContact CB-O 3.3Å; L263-L268 WeakPolarHBondContact CB-O 3.3Å; L263-L268 HydrophobicContact CD2-CB 4.02Å; L263-L268 HydrophobicContact CD2-CD1 4.17Å; L263-L268 HydrophobicContact CG-CB 4.35Å; L263-L268 PolarHBondContact O-N 3.42Å; L263-L268 VanDerWaalsContact O-N 3.07Å; L263-T270 HydrophobicContact CD1-CG2 3.99Å; L263-F273 HydrophobicContact CD1-CD2 4.46Å; L263-F273 HydrophobicContact CD1-CE2 3.94Å
264	R	89.1	Confident	90.1	Very high	198 Å²	198	84.7 Å²	84.7	75%	0.747	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-55.1	-43.7	-178.1	177.9	-176.8	-85.7	176.6	-6	113.7	N260 F266 G267 L268	N260-R264 WeakPolarHBondContact O-CB 3.37Å; N260-R264 PolarHBondContact O-N 2.84Å; R264-F266 PolarHBondContact O-N 2.87Å; R264-F266 VanDerWaalsContact O-N 3.1Å; R264-G267 PolarHBondContact O-N 3.26Å; R264-L268 PolarHBondContact N-O 2.83Å
265	P	92.3	Very high	89.7	Confident	105 Å²	105	83.8 Å²	83.8	68%	0.682	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-59.1	-20.8	175.5	-25.2	35.1	0	0	0	114.5	L261 V262	L261-P265 WeakPolarHBondContact O-CD 3.2Å; V262-P265 WeakPolarHBondContact O-CD 3.41Å
266	F	88.9	Confident	89.2	Confident	153 Å²	153	84.3 Å²	84.3	67%	0.671	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-97.7	5.5	178.8	-56.7	-80.1	0	0	0	112.9	V262 L263 R264 L268	V262-F266 WeakPolarHBondContact O-CD2 3.46Å; V262-F266 WeakPolarHBondContact O-CE2 3.43Å; L263-F266 WeakPolarHBondContact O-CA 3.45Å; L263-F266 WeakPolarHBondContact O-CB 3.48Å; L263-F266 PolarHBondContact O-N 3.44Å; R264-F266 PolarHBondContact O-N 2.87Å; R264-F266 VanDerWaalsContact O-N 3.1Å; F266-L268 HydrophobicContact CB-CB 4.49Å; F266-L268 HydrophobicContact CB-CD1 4.12Å; F266-L268 HydrophobicContact CB-CG 4.11Å; F266-L268 PolarHBondContact O-N 3.46Å
267	G	86	Confident	89	Confident	41 Å²	41	84.6 Å²	84.6	42%	0.423	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	23.6	-172.9	0	0	0	0	0	112.9	L263 R264	L263-G267 PolarHBondContact O-N 3.4Å; R264-G267 PolarHBondContact O-N 3.26Å
268	L	87.9	Confident	88.6	Confident	52 Å²	52	82.6 Å²	82.6	27%	0.272	42%	0.422	S	S	.	.			trans	-110.4	157.1	-177.6	-64.7	179.5	0	0	0	111	L263 R264 F266 F288	L263-L268 CarbonylContact C-O 3.59Å; L263-L268 HydrophobicContact CB-CB 3.8Å; L263-L268 VanDerWaalsContact CB-O 3.3Å; L263-L268 WeakPolarHBondContact CB-O 3.3Å; L263-L268 HydrophobicContact CD2-CB 4.02Å; L263-L268 HydrophobicContact CD2-CD1 4.17Å; L263-L268 HydrophobicContact CG-CB 4.35Å; L263-L268 PolarHBondContact O-N 3.42Å; L263-L268 VanDerWaalsContact O-N 3.07Å; R264-L268 PolarHBondContact N-O 2.83Å; F266-L268 HydrophobicContact CB-CB 4.49Å; F266-L268 HydrophobicContact CB-CD1 4.12Å; F266-L268 HydrophobicContact CB-CG 4.11Å; F266-L268 PolarHBondContact O-N 3.46Å; L268-F288 HydrophobicContact CD2-CE2 3.87Å; L268-F288 HydrophobicContact CD2-CZ 3.53Å
269	S	88	Confident	88.1	Confident	14 Å²	14	83.7 Å²	83.7	10%	0.098	44%	0.439	C	S	.	.			trans	-136.5	153.6	171.9	172.9	0	0	0	0	110	N260 E271 N272 F273	N260-S269 VanDerWaalsContact OD1-CA 3.23Å; N260-S269 WeakPolarHBondContact OD1-CA 3.22Å; N260-S269 WeakPolarHBondContact OD1-CB 3.42Å; N260-S269 PolarHBondContact OD1-OG 3.15Å; S269-E271 PolarHBondContact O-N 3.07Å; S269-E271 VanDerWaalsContact O-N 3.14Å; S269-E271 PolarHBondContact OG-N 3.22Å; S269-N272 PolarHBondContact N-ND2 3.15Å; S269-N272 VanDerWaalsContact O-CB 3.32Å; S269-N272 WeakPolarHBondContact O-CB 3.23Å; S269-N272 PolarHBondContact O-N 2.75Å; S269-F273 WeakPolarHBondContact O-CD2 3.43Å
270	T	87.3	Confident	87.6	Confident	31 Å²	31	87.5 Å²	87.5	19%	0.19	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-57.3	-20.9	169.3	58.4	0	0	0	0	112.6	N260 L263 N272 F273	N260-T270 PolarHBondContact ND2-OG1 2.84Å; N260-T270 PolarHBondContact OD1-N 3.15Å; N260-T270 PolarHBondContact OD1-OG1 3.15Å; L263-T270 HydrophobicContact CD1-CG2 3.99Å; T270-N272 VanDerWaalsContact C-N 3.29Å; T270-F273 PolarHBondContact O-N 2.78Å
271	E	86.1	Confident	87.3	Confident	135 Å²	135	90.1 Å²	90.1	63%	0.631	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-71.2	-23.8	174.9	-62.9	-173.8	171.9	0	0	113.4	S269 F273	S269-E271 PolarHBondContact O-N 3.07Å; S269-E271 VanDerWaalsContact O-N 3.14Å; S269-E271 PolarHBondContact OG-N 3.22Å; E271-F273 PolarHBondContact O-N 3.39Å
272	N	87.7	Confident	86.8	Confident	8 Å²	8	86.3 Å²	86.3	4%	0.043	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-69	-18	176.2	-59.6	-12.8	0	0	0	111.4	S269 T270 F288 V289	S269-N272 PolarHBondContact N-ND2 3.15Å; S269-N272 VanDerWaalsContact O-CB 3.32Å; S269-N272 WeakPolarHBondContact O-CB 3.23Å; S269-N272 PolarHBondContact O-N 2.75Å; T270-N272 VanDerWaalsContact C-N 3.29Å; N272-F288 HydrophobicContact CB-CD2 3.78Å; N272-F288 HydrophobicContact CB-CE2 3.32Å; N272-F288 HydrophobicContact CB-CZ 4.08Å; N272-F288 CarbonylContact O-C 3.22Å; N272-F288 WeakPolarHBondContact O-CA 3.38Å; N272-V289 WeakPolarHBondContact CA-O 3.43Å; N272-V289 WeakPolarHBondContact CB-O 3.4Å; N272-V289 PolarHBondContact O-N 3.35Å
273	F	87.2	Confident	86.5	Confident	85 Å²	85	84.9 Å²	84.9	37%	0.373	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	102.7	-178.8	-61.8	-90.1	0	0	0	110.2	L263 S269 T270 E271 I286 N287 F288	L263-F273 HydrophobicContact CD1-CD2 4.46Å; L263-F273 HydrophobicContact CD1-CE2 3.94Å; S269-F273 WeakPolarHBondContact O-CD2 3.43Å; T270-F273 PolarHBondContact O-N 2.78Å; E271-F273 PolarHBondContact O-N 3.39Å; F273-I286 HydrophobicContact CB-CG2 4.18Å; F273-I286 HydrophobicContact CD1-CG2 4.12Å; F273-N287 CarbonylContact C-O 3.52Å; F273-F288 HydrophobicContact CD1-CB 4.48Å; F273-F288 AromaticContact CD1-CD2 3.83Å; F273-F288 HydrophobicContact CD1-CD2 3.83Å; F273-F288 HydrophobicContact CD2-CD2 4.26Å; F273-F288 HydrophobicContact CD2-CE2 4.49Å; F273-F288 AromaticContact CE1-CD2 3.57Å; F273-F288 HydrophobicContact CE1-CD2 3.57Å; F273-F288 HydrophobicContact CE1-CE2 4.21Å; F273-F288 HydrophobicContact CE1-CG 4.4Å; F273-F288 HydrophobicContact CE2-CD2 4.03Å; F273-F288 AromaticContact CE2-CE2 3.99Å; F273-F288 HydrophobicContact CE2-CE2 3.99Å; F273-F288 HydrophobicContact CG-CD2 4.18Å; F273-F288 AromaticContact CZ-CD2 3.68Å; F273-F288 HydrophobicContact CZ-CD2 3.68Å; F273-F288 AromaticContact CZ-CE2 3.83Å; F273-F288 HydrophobicContact CZ-CE2 3.83Å
274	Q	84.1	Confident	86.4	Confident	89 Å²	89	90.7 Å²	90.7	42%	0.416	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.1	177.5	-64.9	-178.7	7.6	0	0	110.7	N287 V289	Q274-N287 PolarHBondContact N-O 3.49Å; Q274-N287 PolarHBondContact O-N 3.49Å; Q274-V289 HydrophobicContact CG-CG2 4.29Å
275	I	85.9	Confident	86.4	Confident	116 Å²	116	84 Å²	84	60%	0.595	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.3	175.6	-58.4	174.1	0	0	0	108.5	Y284 I286	I275-Y284 HydrophobicContact CG2-CD1 3.77Å; I275-I286 HydrophobicContact CG1-CG1 4.36Å
276	K	84.5	Confident	86.2	Confident	121 Å²	121	84.3 Å²	84.3	53%	0.526	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.9	171.5	-68.3	-175.8	-178.6	176.6	0	109.3	S285	K276-S285 PolarHBondContact N-O 3Å; K276-S285 PolarHBondContact O-N 3.32Å; K276-S285 PolarHBondContact O-OG 3.31Å; K276-S285 VanDerWaalsContact O-OG 3.14Å
277	Q	85.8	Confident	86.1	Confident	111 Å²	111	80.3 Å²	80.3	52%	0.519	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.9	172.9	-169.4	178.2	14.9	0	0	109.2	S279 S283 Y284	Q277-S279 PolarHBondContact O-N 3.14Å; Q277-S283 WeakPolarHBondContact CA-O 3.42Å; Q277-Y284 HydrophobicContact CB-CD1 4.03Å; Q277-Y284 HydrophobicContact CB-CE1 3.95Å; Q277-Y284 HydrophobicContact CG-CD1 4.1Å; Q277-Y284 HydrophobicContact CG-CE1 3.81Å; Q277-Y284 PolarHBondContact NE2-OH 3.38Å
278	D	84.8	Confident	86.2	Confident	68 Å²	68	82.6 Å²	82.6	36%	0.364	45%	0.446	S	S	.	.			trans	-81.8	113.1	171.5	176.4	2.2	0	0	0	109.3	S280 T281 G282 S283	D278-S280 PolarHBondContact O-N 3.35Å; D278-S280 VanDerWaalsContact O-N 3.11Å; D278-S280 PolarHBondContact OD1-N 3.08Å; D278-S280 PolarHBondContact OD1-OG 2.94Å; D278-S280 PolarHBondContact OD2-OG 2.98Å; D278-T281 WeakPolarHBondContact CB-OG1 3.43Å; D278-T281 PolarHBondContact O-N 3.02Å; D278-T281 PolarHBondContact OD2-OG1 3.42Å; D278-G282 WeakPolarHBondContact O-CA 3.07Å; D278-G282 PolarHBondContact O-N 3.4Å; D278-S283 PolarHBondContact N-O 3.28Å
279	S	84.7	Confident	86	Confident	126 Å²	126	82.6 Å²	82.6	88%	0.881	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.6	-177.1	-49.8	0	0	0	0	114	Q277	Q277-S279 PolarHBondContact O-N 3.14Å
280	S	81	Confident	85.3	Confident	101 Å²	101	89 Å²	89	71%	0.706	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-34.1	-176.9	68	0	0	0	0	113.6	D278	D278-S280 PolarHBondContact O-N 3.35Å; D278-S280 VanDerWaalsContact O-N 3.11Å; D278-S280 PolarHBondContact OD1-N 3.08Å; D278-S280 PolarHBondContact OD1-OG 2.94Å; D278-S280 PolarHBondContact OD2-OG 2.98Å
281	T	84.9	Confident	84.1	Confident	94 Å²	94	92 Å²	92	58%	0.577	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-13.9	-177.2	56.8	0	0	0	0	113	D278 S283	D278-T281 WeakPolarHBondContact CB-OG1 3.43Å; D278-T281 PolarHBondContact O-N 3.02Å; D278-T281 PolarHBondContact OD2-OG1 3.42Å; T281-S283 PolarHBondContact O-N 2.9Å; T281-S283 WeakPolarHBondContact OG1-CB 3.24Å; T281-S283 PolarHBondContact OG1-N 3.06Å; T281-S283 PolarHBondContact OG1-OG 3.19Å
282	G	83.5	Confident	82.8	Confident	38 Å²	38	90.9 Å²	90.9	39%	0.392	50%	0.495	S	S	.	.			trans	67.4	4.5	-170.5	0	0	0	0	0	113.5	D278	D278-G282 WeakPolarHBondContact O-CA 3.07Å; D278-G282 PolarHBondContact O-N 3.4Å
283	S	86.6	Confident	81.3	Confident	62 Å²	62	97.8 Å²	97.8	43%	0.434	53%	0.532	S	S	.	.			trans	-74	142.4	-177.6	68.4	0	0	0	0	111.3	Q277 D278 T281	Q277-S283 WeakPolarHBondContact CA-O 3.42Å; D278-S283 PolarHBondContact N-O 3.28Å; T281-S283 PolarHBondContact O-N 2.9Å; T281-S283 WeakPolarHBondContact OG1-CB 3.24Å; T281-S283 PolarHBondContact OG1-N 3.06Å; T281-S283 PolarHBondContact OG1-OG 3.19Å
284	Y	88.6	Confident	79.7	Confident	157 Å²	157	97.7 Å²	97.7	62%	0.616	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.3	176.9	-67.3	-88.8	0	0	0	109.6	I275 Q277	I275-Y284 HydrophobicContact CG2-CD1 3.77Å; Q277-Y284 HydrophobicContact CB-CD1 4.03Å; Q277-Y284 HydrophobicContact CB-CE1 3.95Å; Q277-Y284 HydrophobicContact CG-CD1 4.1Å; Q277-Y284 HydrophobicContact CG-CE1 3.81Å; Q277-Y284 PolarHBondContact NE2-OH 3.38Å
285	S	89.1	Confident	77.8	Confident	56 Å²	56	99.5 Å²	99.5	39%	0.392	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.7	170.6	63.5	0	0	0	0	109.6	K276	K276-S285 PolarHBondContact N-O 3Å; K276-S285 PolarHBondContact O-N 3.32Å; K276-S285 PolarHBondContact O-OG 3.31Å; K276-S285 VanDerWaalsContact O-OG 3.14Å
286	I	88.3	Confident	75.8	Confident	113 Å²	113	109 Å²	109	58%	0.579	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.2	118.2	178.3	-53.9	179.1	0	0	0	107.4	F273 I275	F273-I286 HydrophobicContact CB-CG2 4.18Å; F273-I286 HydrophobicContact CD1-CG2 4.12Å; I275-I286 HydrophobicContact CG1-CG1 4.36Å
287	N	87.4	Confident	75.4	Confident	68 Å²	68	108.4 Å²	108.4	36%	0.364	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	134.8	175.3	-65.7	-67.8	0	0	0	109.3	F273 Q274	F273-N287 CarbonylContact C-O 3.52Å; Q274-N287 PolarHBondContact N-O 3.49Å; Q274-N287 PolarHBondContact O-N 3.49Å
288	F	87.3	Confident	74.9	Confident	89 Å²	89	108.2 Å²	108.2	39%	0.39	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	125.5	174.9	-179.4	-103.6	0	0	0	109.9	L268 N272 F273 Q290	L268-F288 HydrophobicContact CD2-CE2 3.87Å; L268-F288 HydrophobicContact CD2-CZ 3.53Å; N272-F288 HydrophobicContact CB-CD2 3.78Å; N272-F288 HydrophobicContact CB-CE2 3.32Å; N272-F288 HydrophobicContact CB-CZ 4.08Å; N272-F288 CarbonylContact O-C 3.22Å; N272-F288 WeakPolarHBondContact O-CA 3.38Å; F273-F288 HydrophobicContact CD1-CB 4.48Å; F273-F288 AromaticContact CD1-CD2 3.83Å; F273-F288 HydrophobicContact CD1-CD2 3.83Å; F273-F288 HydrophobicContact CD2-CD2 4.26Å; F273-F288 HydrophobicContact CD2-CE2 4.49Å; F273-F288 AromaticContact CE1-CD2 3.57Å; F273-F288 HydrophobicContact CE1-CD2 3.57Å; F273-F288 HydrophobicContact CE1-CE2 4.21Å; F273-F288 HydrophobicContact CE1-CG 4.4Å; F273-F288 HydrophobicContact CE2-CD2 4.03Å; F273-F288 AromaticContact CE2-CE2 3.99Å; F273-F288 HydrophobicContact CE2-CE2 3.99Å; F273-F288 HydrophobicContact CG-CD2 4.18Å; F273-F288 AromaticContact CZ-CD2 3.68Å; F273-F288 HydrophobicContact CZ-CD2 3.68Å; F273-F288 AromaticContact CZ-CE2 3.83Å; F273-F288 HydrophobicContact CZ-CE2 3.83Å; F288-Q290 HydrophobicContact CE1-CB 4.45Å; F288-Q290 HydrophobicContact CE1-CG 3.57Å; F288-Q290 HydrophobicContact CZ-CG 3.94Å
289	V	83.9	Confident	74.3	Confident	52 Å²	52	110.4 Å²	110.4	32%	0.315	59%	0.594	S	S	.	*			trans	-119.5	115.3	177.9	-176	0	0	0	0	108.2	N272 Q274 N291	N272-V289 WeakPolarHBondContact CA-O 3.43Å; N272-V289 WeakPolarHBondContact CB-O 3.4Å; N272-V289 PolarHBondContact O-N 3.35Å; Q274-V289 HydrophobicContact CG-CG2 4.29Å; V289-N291 PolarHBondContact O-N 3.21Å
290	Q	72.4	Confident	73.7	Confident	150 Å²	150	109.5 Å²	109.5	70%	0.701	58%	0.577	S	S	*	*			trans	-78.3	108	171	-102.4	163.9	6.1	0	0	109.1	F288 P292	F288-Q290 HydrophobicContact CE1-CB 4.45Å; F288-Q290 HydrophobicContact CE1-CG 3.57Å; F288-Q290 HydrophobicContact CZ-CG 3.94Å; Q290-P292 WeakPolarHBondContact O-CD 3.5Å
291	N	63.3	Low	73.2	Confident	94 Å²	94	110.1 Å²	110.1	50%	0.503	57%	0.569	S	S	.	*			trans	-79.7	117.5	166.7	-85.5	-9	0	0	0	109	V289 N293 N294	V289-N291 PolarHBondContact O-N 3.21Å; N291-N293 PolarHBondContact O-N 3.3Å; N291-N294 PolarHBondContact O-N 3.4Å
292	P	58.5	Low	72.5	Confident	111 Å²	111	111.1 Å²	111.1	72%	0.721	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-11	-177.8	22.9	-31.4	0	0	0	114	Q290	Q290-P292 WeakPolarHBondContact O-CD 3.5Å
293	N	55.1	Low	71.7	Confident	153 Å²	153	116.4 Å²	116.4	82%	0.818	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-1.1	-177	-72.3	-12.1	0	0	0	115.3	N291 N295	N291-N293 PolarHBondContact O-N 3.3Å; N293-N295 VanDerWaalsContact C-N 3.32Å
294	N	53.8	Low	70.5	Confident	82 Å²	82	120.5 Å²	120.5	44%	0.439	59%	0.593	S	S	.	*			trans	-88.9	4.7	-179.8	-120.6	11.6	0	0	0	114.1	N291 R296	N291-N294 PolarHBondContact O-N 3.4Å; N294-R296 PolarHBondContact O-N 2.85Å
295	N	45.1	Very low	69	Low	128 Å²	128	117.5 Å²	117.5	68%	0.684	59%	0.591	S	S	*	*			trans	-96.2	77.9	174.7	-73.4	-15.3	0	0	0	110.2	N293	N293-N295 VanDerWaalsContact C-N 3.32Å
296	R	44.2	Very low	67.2	Low	314 Å²	314	123.1 Å²	123.1	100%	1.185	61%	0.609	S	S	*	*			trans	-154.8	0	160	-119.1	-179.7	-174.2	177.8	2.1	112.2	N294	N294-R296 PolarHBondContact O-N 2.85Å

Retrieved 296 of 296 residues in 451 ms (Link to these results)

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