A0A093I0R0_STRCA Loading...

Transcription factor PU.1

AlphaFold DB , UniProt , Accession A0A093I0R0, Species STRCA (Struthio camelus australis), Gene n/a, Length 266 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.1	Very low	52.3	Low	239 Å²	239	156.8 Å²	156.8	100%	1.177	85%	0.853	S	S	*	*				0	95.1	0	-75.1	-172.1	-76.7	0	0	108.8
2	L	49.7	Very low	52.2	Low	184 Å²	184	158.3 Å²	158.3	96%	0.963	86%	0.858	S	S	*	*			trans	-149.6	121.7	157.3	-82.5	177.3	0	0	0	106.4
3	Q	44.2	Very low	52.7	Low	184 Å²	184	158.8 Å²	158.8	86%	0.86	86%	0.857	S	S	*	*			trans	-91.3	120.6	-170.4	-174.3	164.3	2.4	0	0	108.7
4	A	59.2	Low	53.2	Low	104 Å²	104	154.9 Å²	154.9	86%	0.86	84%	0.844	S	S	*	*			trans	-109.6	104.6	169.7	0	0	0	0	0	108.4
5	C	53.4	Low	53.2	Low	116 Å²	116	152.5 Å²	152.5	78%	0.784	84%	0.839	S	S	*	*			trans	-73.9	145.2	170.9	-95.7	0	0	0	0	110.8
6	K	44.2	Very low	53.6	Low	172 Å²	172	151 Å²	151	75%	0.748	84%	0.839	S	S	*	*			trans	-70	134.4	-171.2	-161.7	180	-178.9	-154.1	0	112.2	E8	K6-E8 WeakPolarHBondContact CE-OE1 3.25Å; K6-E8 IonicContact NZ-OE1 2.92Å; K6-E8 PolarHBondContact NZ-OE1 3.47Å
7	M	60.1	Low	53.3	Low	192 Å²	192	149.1 Å²	149.1	95%	0.946	84%	0.839	S	S	*	*			trans	-104.8	117.3	164.2	-96.4	165.3	69.2	0	0	108.7
8	E	56.7	Low	52.9	Low	142 Å²	142	151.4 Å²	151.4	66%	0.664	84%	0.842	S	S	*	*			trans	-83.6	143.4	172.1	-58.9	-112.8	138.4	0	0	109.2	K6	K6-E8 WeakPolarHBondContact CE-OE1 3.25Å; K6-E8 IonicContact NZ-OE1 2.92Å; K6-E8 PolarHBondContact NZ-OE1 3.47Å
9	G	48.5	Very low	52.9	Low	69 Å²	69	151.8 Å²	151.8	71%	0.711	84%	0.842	S	S	*	*			trans	-84.3	162.7	-168.4	0	0	0	0	0	115.7
10	F	52.6	Low	52.4	Low	204 Å²	204	152.2 Å²	152.2	90%	0.895	84%	0.839	S	S	*	*			trans	-134	134.2	163	-72.7	-79.9	0	0	0	110.2
11	P	57.4	Low	52.1	Low	119 Å²	119	151.7 Å²	151.7	77%	0.773	84%	0.84	S	S	*	*			trans	-84.6	153.2	-174.3	32.4	-33.4	0	0	0	114
12	L	51.3	Low	52.2	Low	175 Å²	175	145.3 Å²	145.3	92%	0.916	82%	0.816	S	S	*	*			trans	-71.5	137.9	178.9	-61.9	167	0	0	0	112
13	I	58.4	Low	51.5	Low	164 Å²	164	145.8 Å²	145.8	84%	0.841	81%	0.811	S	S	*	*			trans	-104.3	127.2	175	-60.1	172.7	0	0	0	109.3
14	P	59.5	Low	51.2	Low	104 Å²	104	144 Å²	144	68%	0.675	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.9	161.6	175.7	34.2	-32.7	0	0	0	112.9
15	P	54.1	Low	50.7	Low	120 Å²	120	144.6 Å²	144.6	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.5	147.4	-177	34.2	-33.5	0	0	0	112.3
16	P	59.1	Low	50.3	Low	128 Å²	128	145.5 Å²	145.5	83%	0.831	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-86.1	132.6	171.1	32	-30.5	0	0	0	112.1
17	S	48.4	Very low	50.2	Low	119 Å²	119	144.7 Å²	144.7	83%	0.832	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.4	157	170.8	38.8	0	0	0	0	113.1
18	E	47.1	Very low	49.5	Very low	191 Å²	191	146.7 Å²	146.7	89%	0.893	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.6	144.8	-176	-57	170.9	115.9	0	0	114.1
19	D	52.1	Low	48.8	Very low	158 Å²	158	149.9 Å²	149.9	85%	0.845	81%	0.805	S	S	*	*			trans	-152.3	147.2	146.7	-135.8	-54.4	0	0	0	111.8
20	M	43.7	Very low	48.1	Very low	160 Å²	160	154.4 Å²	154.4	79%	0.788	81%	0.808	S	S	*	*			trans	-76.5	140.1	-165.5	-78.1	167.6	45.8	0	0	114.1
21	V	44.6	Very low	47.5	Very low	142 Å²	142	149.4 Å²	149.4	86%	0.861	80%	0.796	S	S	*	*			trans	-140.8	126	149.5	-143.7	0	0	0	0	109.9
22	P	51.5	Low	46.8	Very low	105 Å²	105	152.4 Å²	152.4	68%	0.682	80%	0.799	S	S	*	*			trans	-87.1	163.3	179.4	-0.5	19.8	0	0	0	113.2
23	F	34.9	Very low	46.3	Very low	193 Å²	193	151.3 Å²	151.3	85%	0.846	79%	0.794	S	S	*	*			trans	85.7	125.8	165.8	-131.7	-117	0	0	0	114.7
24	E	37.3	Very low	45.4	Very low	147 Å²	147	152 Å²	152	69%	0.687	79%	0.787	S	S	*	*			cis	-136.7	137.7	15.6	-76.4	-161.2	121.1	0	0	111.4
25	S	50.5	Low	44.2	Very low	117 Å²	117	157.8 Å²	157.8	82%	0.818	80%	0.797	S	S	*	*			trans	-106.1	96.9	165.5	-71.1	0	0	0	0	108.2
26	D	43.8	Very low	43.4	Very low	134 Å²	134	159.8 Å²	159.8	72%	0.717	80%	0.796	S	S	*	*			trans	-179.5	51.8	155.9	-95.8	-36.4	0	0	0	114.2
27	L	42.8	Very low	42.4	Very low	155 Å²	155	163.3 Å²	163.3	81%	0.812	79%	0.794	S	S	*	*	S	Bend	trans	-116.2	10.7	175.8	-79.3	175.2	0	0	0	116.9
28	Y	44.2	Very low	42	Very low	235 Å²	235	165 Å²	165	92%	0.922	79%	0.794	S	S	*	*			trans	-140.5	41	170.3	-91.2	-80.6	0	0	0	114.2
29	R	43	Very low	41.6	Very low	208 Å²	208	163.1 Å²	163.1	79%	0.785	79%	0.789	S	S	*	*			trans	-96.3	111.9	157.9	-163.1	170.5	-149.9	153.6	4.7	108.2	P31	R29-P31 WeakPolarHBondContact O-CD 3.45Å
30	Q	33.2	Very low	40.9	Very low	165 Å²	165	160.1 Å²	160.1	77%	0.771	78%	0.781	S	S	*	*			trans	-98.3	100.9	169.3	-84.6	-76.5	-25.6	0	0	109.1
31	P	41.4	Very low	40.9	Very low	99 Å²	99	160 Å²	160	64%	0.643	78%	0.784	S	S	*	*			trans	-94.3	120.4	158.1	30.3	-21.2	0	0	0	109.3	R29 D33	R29-P31 WeakPolarHBondContact O-CD 3.45Å; P31-D33 VanDerWaalsContact C-N 3.31Å; P31-D33 PolarHBondContact O-N 2.92Å; P31-D33 VanDerWaalsContact O-N 3.15Å
32	H	42.2	Very low	40.7	Very low	182 Å²	182	156.7 Å²	156.7	84%	0.843	78%	0.778	S	S	*	*			trans	-88.1	71.7	177.7	-146.8	-72.6	0	0	0	109.6
33	D	41	Very low	40.2	Very low	151 Å²	151	161 Å²	161	81%	0.807	79%	0.789	S	S	*	*			trans	-131.3	89.5	166.3	-89.8	-66	0	0	0	108.1	P31	P31-D33 VanDerWaalsContact C-N 3.31Å; P31-D33 PolarHBondContact O-N 2.92Å; P31-D33 VanDerWaalsContact O-N 3.15Å
34	Y	38.2	Very low	40.5	Very low	178 Å²	178	156.2 Å²	156.2	70%	0.698	78%	0.78	S	S	*	*			trans	-151.1	90.5	167.2	-158.1	-91.6	0	0	0	110.4
35	Y	35.3	Very low	40.7	Very low	226 Å²	226	158.2 Å²	158.2	89%	0.886	79%	0.789	S	S	*	*			trans	-158.8	82.7	136.1	-98.7	-71.1	0	0	0	108.1
36	Q	37.4	Very low	40.1	Very low	162 Å²	162	155.4 Å²	155.4	76%	0.757	78%	0.778	S	S	*	*			trans	-122.4	86.9	163.4	-173	127.9	0.2	0	0	107.5
37	Y	37.7	Very low	39.9	Very low	202 Å²	202	155.7 Å²	155.7	79%	0.792	78%	0.779	S	S	*	*			trans	-142.6	90.7	162.8	-119.6	-84.2	0	0	0	107.9
38	L	39.9	Very low	40.2	Very low	156 Å²	156	155.9 Å²	155.9	82%	0.817	78%	0.776	S	S	*	*			trans	-178.7	83.6	144.2	-94.4	163.9	0	0	0	106.6
39	N	38.6	Very low	40	Very low	150 Å²	150	154.7 Å²	154.7	80%	0.802	77%	0.771	S	S	*	*			trans	-82.6	111.4	152.7	-91.7	-26.7	0	0	0	106.2
40	S	37.8	Very low	39.8	Very low	95 Å²	95	156.3 Å²	156.3	66%	0.664	78%	0.777	S	S	*	*			trans	-129	101.2	154.4	-62.1	0	0	0	0	106.4
41	D	43	Very low	39.7	Very low	159 Å²	159	155.3 Å²	155.3	85%	0.85	77%	0.773	S	S	*	*			trans	-22.8	128.1	150.4	43.8	-59.1	0	0	0	114.6
42	G	41.1	Very low	39.6	Very low	72 Å²	72	160.6 Å²	160.6	74%	0.742	78%	0.781	S	S	*	*			trans	159.3	79.9	171.4	0	0	0	0	0	113.9
43	E	42.1	Very low	39.5	Very low	195 Å²	195	160.1 Å²	160.1	91%	0.911	78%	0.779	S	S	*	*			trans	47.2	128.2	135.2	-155.1	140.9	87	0	0	121.1
44	S	40.7	Very low	39.8	Very low	93 Å²	93	157 Å²	157	65%	0.65	77%	0.767	S	S	*	*			trans	96.6	124.4	144.3	-151.3	0	0	0	0	119.7
45	H	41.5	Very low	40	Very low	189 Å²	189	157.1 Å²	157.1	88%	0.875	77%	0.774	S	S	*	*			trans	61	131	158.9	-76.4	89.3	0	0	0	117.4
46	G	37.4	Very low	40.4	Very low	57 Å²	57	154.9 Å²	154.9	59%	0.588	77%	0.771	S	S	*	*			cis	154.3	129.3	15.4	0	0	0	0	0	105.4
47	D	39.3	Very low	40.2	Very low	141 Å²	141	154 Å²	154	75%	0.754	77%	0.769	S	S	*	*			trans	69.1	114.4	143	-112.9	-64.5	0	0	0	119.2
48	H	49.1	Very low	40	Very low	159 Å²	159	152.3 Å²	152.3	74%	0.736	77%	0.768	S	S	*	*				165.7	87.3	117.2	-75.6	-15	0	0	0	110.4
49	Y	40.2	Very low	39.8	Very low	210 Å²	210	148.6 Å²	148.6	82%	0.824	76%	0.755	S	S	*	*			trans	-78	122.4	165.4	-141.4	-104.1	0	0	0	107.4	E51	Y49-E51 PolarHBondContact O-N 2.97Å
50	W	38.1	Very low	39.4	Very low	241 Å²	241	149.2 Å²	149.2	91%	0.913	75%	0.753	S	S	*	*			trans	-75.6	76.9	175.8	-70.9	105.7	0	0	0	110.6
51	E	32.5	Very low	39.2	Very low	145 Å²	145	152.9 Å²	152.9	68%	0.678	76%	0.757	S	S	*	*			trans	-83.1	108.8	169.4	-157.8	96.2	178.9	0	0	108.6	Y49	Y49-E51 PolarHBondContact O-N 2.97Å
52	Y	39.4	Very low	39	Very low	209 Å²	209	152.4 Å²	152.4	82%	0.82	75%	0.75	S	S	*	*			trans	-77.5	121	173	-112.5	-95.5	0	0	0	109.4
53	H	39.8	Very low	38.7	Very low	173 Å²	173	153 Å²	153	80%	0.801	74%	0.74	S	S	*	*			trans	-149.3	152.8	149.9	-91.1	-65.5	0	0	0	114.3
54	P	47.8	Very low	38.3	Very low	86 Å²	86	153.4 Å²	153.4	56%	0.558	74%	0.739	S	S	*	*			trans	-105	164.1	-154.9	39.1	-30.8	0	0	0	114.8
55	H	41.6	Very low	38.1	Very low	179 Å²	179	152.3 Å²	152.3	83%	0.829	74%	0.742	S	S	*	*			trans	70	112.9	167.5	-48.8	-72.1	0	0	0	117.5
56	H	42.9	Very low	37.8	Very low	180 Å²	180	149.4 Å²	149.4	83%	0.833	73%	0.733	S	S	*	*				-176.3	119.2	118.6	-139.1	58.1	0	0	0	112.9
57	M	34.8	Very low	38.3	Very low	143 Å²	143	154.3 Å²	154.3	70%	0.704	75%	0.745	S	S	*	*			trans	22.2	150.8	142.4	-61.9	-69.4	90	0	0	124.6
58	H	33.5	Very low	38.9	Very low	166 Å²	166	155 Å²	155	77%	0.769	74%	0.744	S	S	*	*			trans	79.3	147.6	154.1	-100.2	-117.3	0	0	0	116.6
59	S	35.3	Very low	38.5	Very low	79 Å²	79	155.2 Å²	155.2	55%	0.552	74%	0.743	S	S	*	*			cis	167.3	159.8	-14.7	172.5	0	0	0	0	102.6
60	E	30.3	Very low	38.9	Very low	162 Å²	162	151.3 Å²	151.3	76%	0.757	74%	0.741	S	S	*	*			trans	73.1	120.3	157.9	84.3	-142.2	94.2	0	0	121.5
61	F	32	Very low	39.8	Very low	173 Å²	173	147.9 Å²	147.9	76%	0.759	74%	0.735	S	S	*	*			trans	98.6	87.8	135.7	-145.2	-97	0	0	0	116.8
62	E	39.8	Very low	40.9	Very low	148 Å²	148	148.9 Å²	148.9	69%	0.692	74%	0.744	S	S	*	*				85.7	112	81.9	-107.8	-179.1	149	0	0	114.8
63	T	35	Very low	41.8	Very low	86 Å²	86	147.7 Å²	147.7	53%	0.528	75%	0.746	S	S	.	*			trans	104.3	131.7	131.8	-22.5	0	0	0	0	120.3
64	F	33.8	Very low	42.6	Very low	203 Å²	203	144.9 Å²	144.9	89%	0.89	75%	0.746	S	S	*	*			trans	76.5	123.8	164.5	-53.2	-71.1	0	0	0	115.7
65	G	36.9	Very low	43	Very low	70 Å²	70	147 Å²	147	72%	0.722	76%	0.757	S	S	*	*			cis	155.1	117.6	4.9	0	0	0	0	0	106.4
66	D	34.7	Very low	43.8	Very low	128 Å²	128	146.7 Å²	146.7	68%	0.684	76%	0.756	S	S	*	*			trans	-172.1	119.5	146.8	-145.8	-100.7	0	0	0	108.2	H68	D66-H68 VanDerWaalsContact CB-CE1 3.49Å; D66-H68 WeakPolarHBondContact CB-CE1 3.41Å; D66-H68 PolarHBondContact O-N 3.37Å; D66-H68 IonicContact OD1-CE1 2.76Å; D66-H68 PolarHBondContact OD1-CE1 2.81Å; D66-H68 IonicContact OD1-ND1 3.13Å; D66-H68 PolarHBondContact OD1-ND1 3.39Å
67	N	48.5	Very low	44.1	Very low	159 Å²	159	143.3 Å²	143.3	85%	0.85	75%	0.75	S	S	*	*			trans	-80.9	103.3	176	-73	-76.4	0	0	0	108.3
68	H	51.9	Low	45	Very low	155 Å²	155	142.3 Å²	142.3	72%	0.718	75%	0.754	S	S	*	*			trans	-112.4	66.6	157.1	2.8	-80.8	0	0	0	109.2	D66 T70	D66-H68 VanDerWaalsContact CB-CE1 3.49Å; D66-H68 WeakPolarHBondContact CB-CE1 3.41Å; D66-H68 PolarHBondContact O-N 3.37Å; D66-H68 IonicContact OD1-CE1 2.76Å; D66-H68 PolarHBondContact OD1-CE1 2.81Å; D66-H68 IonicContact OD1-ND1 3.13Å; D66-H68 PolarHBondContact OD1-ND1 3.39Å; H68-T70 PolarHBondContact O-N 3.15Å
69	F	39.2	Very low	45.9	Very low	165 Å²	165	142 Å²	142	72%	0.724	75%	0.753	S	S	*	*			trans	-77.8	108.3	163.4	-159.3	-97.2	0	0	0	107.3	E71	F69-E71 HydrophobicContact CD1-CB 4.11Å; F69-E71 HydrophobicContact CD1-CG 4.31Å; F69-E71 HydrophobicContact CE1-CG 4.35Å; F69-E71 PolarHBondContact O-N 3.15Å
70	T	49	Very low	46.5	Very low	128 Å²	128	144.8 Å²	144.8	79%	0.785	76%	0.761	S	S	*	*			trans	-73.4	87.1	165.8	37.2	0	0	0	0	108.3	H68 L72	H68-T70 PolarHBondContact O-N 3.15Å; T70-L72 PolarHBondContact O-N 2.68Å; T70-L72 VanDerWaalsContact O-N 3.12Å
71	E	56.7	Low	47.6	Very low	169 Å²	169	145.5 Å²	145.5	79%	0.79	77%	0.765	S	S	*	*			trans	-63.4	109	170.9	-149.5	175.6	104.4	0	0	108.4	F69 Q73	F69-E71 HydrophobicContact CD1-CB 4.11Å; F69-E71 HydrophobicContact CD1-CG 4.31Å; F69-E71 HydrophobicContact CE1-CG 4.35Å; F69-E71 PolarHBondContact O-N 3.15Å; E71-Q73 PolarHBondContact O-N 3.44Å; E71-Q73 VanDerWaalsContact O-N 3.14Å
72	L	55.4	Low	48.4	Very low	166 Å²	166	145.1 Å²	145.1	87%	0.869	77%	0.765	S	S	*	*			trans	-73	107.3	177	-74.7	172.8	0	0	0	109.1	T70 S74	T70-L72 PolarHBondContact O-N 2.68Å; T70-L72 VanDerWaalsContact O-N 3.12Å; L72-S74 PolarHBondContact O-N 3.35Å
73	Q	59.9	Low	48.9	Very low	184 Å²	184	144 Å²	144	86%	0.86	76%	0.763	S	S	*	*			trans	-58.3	117	175.5	-152.1	166.5	4.9	0	0	110.4	E71 V75	E71-Q73 PolarHBondContact O-N 3.44Å; E71-Q73 VanDerWaalsContact O-N 3.14Å; Q73-V75 PolarHBondContact O-N 3.26Å
74	S	56.5	Low	49.6	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	77%	0.767	S	S	*	*			trans	-67.8	101.4	175	161.8	0	0	0	0	110.3	L72 Q76	L72-S74 PolarHBondContact O-N 3.35Å; S74-Q76 PolarHBondContact O-N 3.02Å
75	V	55.3	Low	50.2	Low	131 Å²	131	146.6 Å²	146.6	79%	0.794	76%	0.759	S	S	*	*			trans	-73.3	116.2	166.4	-77.9	0	0	0	0	110	Q73	Q73-V75 PolarHBondContact O-N 3.26Å
76	Q	57.9	Low	50.6	Low	173 Å²	173	150.3 Å²	150.3	81%	0.808	76%	0.757	S	S	*	*			trans	-58.9	137.8	168.5	-75.6	-165.8	5	0	0	110	S74 P78	S74-Q76 PolarHBondContact O-N 3.02Å; Q76-P78 VanDerWaalsContact O-CD 3.25Å; Q76-P78 WeakPolarHBondContact O-CD 3.33Å
77	P	49.1	Very low	51	Low	108 Å²	108	150.1 Å²	150.1	70%	0.701	75%	0.753	S	S	*	*			trans	-76.6	114.5	173.5	28.4	-30.6	0	0	0	110.5	Q79	P77-Q79 VanDerWaalsContact C-N 3.32Å; P77-Q79 PolarHBondContact O-N 3.22Å; P77-Q79 VanDerWaalsContact O-N 3.12Å
78	P	54.4	Low	50.8	Low	123 Å²	123	149.3 Å²	149.3	80%	0.799	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	65.8	178.5	36.8	-29.6	0	0	0	109.5	Q76	Q76-P78 VanDerWaalsContact O-CD 3.25Å; Q76-P78 WeakPolarHBondContact O-CD 3.33Å
79	Q	51.4	Low	50.7	Low	158 Å²	158	147.1 Å²	147.1	74%	0.738	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.8	-7	177.1	-65.1	-166.7	5.4	0	0	115.9	P77	P77-Q79 VanDerWaalsContact C-N 3.32Å; P77-Q79 PolarHBondContact O-N 3.22Å; P77-Q79 VanDerWaalsContact O-N 3.12Å
80	L	48.7	Very low	50.8	Low	139 Å²	139	148 Å²	148	73%	0.728	74%	0.743	S	S	*	*	H	α-helix	trans	-82.6	-16.2	179	-84.1	172.5	0	0	0	114.7
81	Q	52.8	Low	50.6	Low	177 Å²	177	150.5 Å²	150.5	83%	0.827	75%	0.746	S	S	*	*	H	α-helix	trans	-80.8	-22.5	-176.7	-135.1	162.1	25	0	0	113.6	R85	Q81-R85 PolarHBondContact O-N 3.05Å
82	Q	50.4	Low	49.7	Very low	164 Å²	164	150.2 Å²	150.2	77%	0.766	75%	0.746	S	S	*	*	H	α-helix	trans	-80.7	-30.5	179	-67.7	-152.8	-14.4	0	0	113.5	Y84	Q82-Y84 VanDerWaalsContact C-N 3.34Å
83	L	49.4	Very low	49.1	Very low	126 Å²	126	151 Å²	151	66%	0.66	75%	0.745	S	S	*	*	H	α-helix	trans	-71.6	-30.4	175	-77.6	168	0	0	0	112.1	H86 M87	L83-H86 PolarHBondContact O-N 3.36Å; L83-M87 PolarHBondContact O-N 3.23Å
84	Y	48.8	Very low	48.4	Very low	156 Å²	156	148.5 Å²	148.5	61%	0.612	74%	0.743	S	S	*	*	H	α-helix	trans	-70.4	-38	176.1	-137.6	-92	0	0	0	112.4	Q82 H86 M87 E88	Q82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-H86 PolarHBondContact O-N 3.5Å; Y84-M87 HydrophobicContact CE2-CE 4.19Å; Y84-M87 PolarHBondContact O-N 3.25Å; Y84-E88 PolarHBondContact O-N 3.3Å
85	R	46.9	Very low	47.8	Very low	187 Å²	187	150.9 Å²	150.9	71%	0.706	75%	0.746	S	S	*	*	H	α-helix	trans	-64.7	-22.8	175.5	-110.7	-96.4	-86.5	-175.6	-5.4	113.9	Q81	Q81-R85 PolarHBondContact O-N 3.05Å
86	H	45.4	Very low	46.7	Very low	148 Å²	148	152 Å²	152	69%	0.685	75%	0.747	S	S	*	*	H	α-helix	trans	-85.9	-32	178	-117.8	75	0	0	0	112.9	L83 Y84	L83-H86 PolarHBondContact O-N 3.36Å; Y84-H86 PolarHBondContact O-N 3.5Å
87	M	42.7	Very low	45.7	Very low	123 Å²	123	148.6 Å²	148.6	61%	0.606	74%	0.742	S	S	*	*	H	α-helix	trans	-75	-26.4	179.8	-166	177.7	67.5	0	0	112.6	L83 Y84	L83-M87 PolarHBondContact O-N 3.23Å; Y84-M87 HydrophobicContact CE2-CE 4.19Å; Y84-M87 PolarHBondContact O-N 3.25Å
88	E	45.4	Very low	45.1	Very low	142 Å²	142	147.9 Å²	147.9	66%	0.664	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-23.8	179.3	-153	-179.2	133.4	0	0	113.1	Y84	Y84-E88 PolarHBondContact O-N 3.3Å
89	I	49.2	Very low	44.2	Very low	109 Å²	109	149.7 Å²	149.7	56%	0.559	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-76.9	-26.6	-176.8	-80.7	168	0	0	0	113
90	E	42.3	Very low	44.6	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-83.1	-9.4	178.5	-74	-148	120.2	0	0	114
91	Q	44.4	Very low	44	Very low	180 Å²	180	146.9 Å²	146.9	84%	0.841	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-95.9	1.4	-173	-150.5	171	76.6	0	0	114.8
92	M	37.7	Very low	43.6	Very low	162 Å²	162	144.1 Å²	144.1	80%	0.798	74%	0.744	S	S	*	*	S	Bend	trans	-134.3	36.4	-174	-147.5	-173.3	70.3	0	0	115.1
93	H	43.6	Very low	43.1	Very low	182 Å²	182	144.4 Å²	144.4	84%	0.843	75%	0.745	S	S	*	*			trans	-121.5	51	169.5	-98.6	-90	0	0	0	112.3
94	V	43.8	Very low	42.5	Very low	133 Å²	133	146.2 Å²	146.2	81%	0.806	75%	0.754	S	S	*	*			trans	-132.5	81.3	160.2	-173.3	0	0	0	0	107.3
95	L	44.8	Very low	41.7	Very low	163 Å²	163	141.7 Å²	141.7	85%	0.853	75%	0.754	S	S	*	*			trans	175.2	135.1	133.3	-110.3	98.4	0	0	0	109.9
96	D	31.6	Very low	41.4	Very low	153 Å²	153	140.6 Å²	140.6	82%	0.818	76%	0.762	S	S	*	*			trans	97.7	141.1	146.6	-151.1	37.7	0	0	0	121
97	S	36.4	Very low	40.8	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	75%	0.754	S	S	*	*			trans	-85.7	169.5	-168	-63.1	0	0	0	0	113.4
98	A	36.1	Very low	40.6	Very low	93 Å²	93	141.2 Å²	141.2	77%	0.769	77%	0.766	S	S	*	*			trans	88.2	107.2	154.8	0	0	0	0	0	119.7
99	I	36.9	Very low	40.6	Very low	162 Å²	162	141.3 Å²	141.3	83%	0.831	77%	0.766	S	S	*	*			trans	11	170	140.8	-16.5	-179.1	0	0	0	120.8
100	P	58.8	Low	40	Very low	105 Å²	105	141.3 Å²	141.3	68%	0.682	77%	0.771	S	S	*	*				-105.1	179.7	-79.9	29.8	-11.7	0	0	0	111.9
101	T	35.8	Very low	39.8	Very low	133 Å²	133	137.6 Å²	137.6	82%	0.816	77%	0.766	S	S	*	*			trans	173.2	144	133.7	-72.1	0	0	0	0	112.4
102	T	44.3	Very low	39.7	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	76%	0.763	S	S	*	*			trans	-84.9	150.8	-171.9	48.5	0	0	0	0	116.5
103	H	40	Very low	40.5	Very low	169 Å²	169	138.8 Å²	138.8	78%	0.782	77%	0.767	S	S	*	*			trans	-175.4	115.1	134.5	53.9	-87.1	0	0	0	109.4
104	I	36.8	Very low	40.5	Very low	165 Å²	165	135.7 Å²	135.7	85%	0.846	76%	0.763	S	S	*	*				55.4	122.5	87.9	-56.1	165.6	0	0	0	112.4
105	G	33.5	Very low	40.3	Very low	61 Å²	61	140.9 Å²	140.9	63%	0.629	77%	0.768	S	S	*	*			cis	172.3	168.9	0.7	0	0	0	0	0	113.1
106	L	39.9	Very low	40.1	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	77%	0.767	S	S	*	*			trans	66.3	140.9	163.8	-73.3	107.9	0	0	0	121.5
107	N	32.5	Very low	40.6	Very low	97 Å²	97	139.9 Å²	139.9	52%	0.519	77%	0.768	S	S	.	*			cis	175.8	118.1	-12.1	-171.6	-4.9	0	0	0	108.7
108	H	39.2	Very low	40.6	Very low	186 Å²	186	143.5 Å²	143.5	86%	0.861	78%	0.779	S	S	*	*			trans	-156.4	94.8	143.8	2	-99.3	0	0	0	112.5
109	Q	44.9	Very low	40.5	Very low	144 Å²	144	147.8 Å²	147.8	67%	0.673	78%	0.783	S	S	*	*			trans	22.1	117.5	134.8	-53.7	-70.8	-4.1	0	0	120.3
110	V	37.7	Very low	40.1	Very low	110 Å²	110	150.4 Å²	150.4	67%	0.667	78%	0.784	S	S	*	*				-157.2	121.3	118.8	-176.8	0	0	0	0	108.6	Y112	V110-Y112 HydrophobicContact CB-CE2 3.98Å; V110-Y112 HydrophobicContact CG1-CD2 4.26Å; V110-Y112 HydrophobicContact CG1-CE2 3.68Å
111	S	37.3	Very low	38.9	Very low	107 Å²	107	150.3 Å²	150.3	75%	0.748	79%	0.786	S	S	*	*			trans	-79.3	114.4	176.9	-61.9	0	0	0	0	111.6
112	Y	41.2	Very low	39.1	Very low	199 Å²	199	149 Å²	149	78%	0.78	78%	0.782	S	S	*	*			trans	-104.5	109.8	163.9	-63.9	-83.7	0	0	0	108.6	V110	V110-Y112 HydrophobicContact CB-CE2 3.98Å; V110-Y112 HydrophobicContact CG1-CD2 4.26Å; V110-Y112 HydrophobicContact CG1-CE2 3.68Å
113	L	55.7	Low	39.3	Very low	167 Å²	167	149.1 Å²	149.1	87%	0.874	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-69.1	130.7	170.8	-75.4	172	0	0	0	109.8
114	P	43.4	Very low	39.8	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.6	130.1	168	-11	26.4	0	0	0	109.9	M116	P114-M116 PolarHBondContact O-N 3.34Å
115	R	39	Very low	40.1	Very low	243 Å²	243	146.7 Å²	146.7	92%	0.917	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-60.3	129.4	174.9	-160.3	-173.7	-177.2	-166.6	1.1	109.8
116	M	40.6	Very low	40.5	Very low	169 Å²	169	149.1 Å²	149.1	83%	0.833	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65	132.5	-177.9	-45.5	-140.1	74.6	0	0	110.9	P114	P114-M116 PolarHBondContact O-N 3.34Å
117	C	42.4	Very low	40.3	Very low	125 Å²	125	146.9 Å²	146.9	85%	0.845	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-71.9	123.7	170.1	-67.3	0	0	0	0	109.4	Q119	C117-Q119 PolarHBondContact O-N 2.84Å
118	L	35.9	Very low	41	Very low	179 Å²	179	147 Å²	147	94%	0.937	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.1	117	167	-108.8	75.1	0	0	0	108.9
119	Q	33.9	Very low	41.3	Very low	183 Å²	183	145 Å²	145	86%	0.855	79%	0.786	S	S	*	*			trans	-92.5	113	170.5	-157.2	163.7	10.2	0	0	106.8	C117	C117-Q119 PolarHBondContact O-N 2.84Å
120	Y	29.7	Very low	41.6	Very low	217 Å²	217	145 Å²	145	85%	0.851	79%	0.787	S	S	*	*			trans	-88.4	114.4	173.6	-171.1	-98.6	0	0	0	108.9
121	S	33.3	Very low	41.6	Very low	103 Å²	103	148.9 Å²	148.9	72%	0.72	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.3	127.8	175.6	-66.9	0	0	0	0	111.3
122	S	39.8	Very low	42	Very low	105 Å²	105	149.6 Å²	149.6	73%	0.734	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-95	141.9	163.7	-58.4	0	0	0	0	110.3
123	P	48.4	Very low	41.8	Very low	122 Å²	122	147.8 Å²	147.8	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-84	167	172.6	32.8	-31.6	0	0	0	113.4
124	P	49.9	Very low	41.1	Very low	110 Å²	110	145.4 Å²	145.4	71%	0.714	78%	0.78	S	S	*	*			trans	-107.3	147.2	-155.3	8.4	14.6	0	0	0	116.9
125	Q	43.4	Very low	41.2	Very low	173 Å²	173	149.1 Å²	149.1	81%	0.808	78%	0.778	S	S	*	*			trans	74.2	160.2	137.7	-56.9	-69.9	-46.4	0	0	119.9
126	P	42.6	Very low	41.1	Very low	112 Å²	112	146.1 Å²	146.1	73%	0.727	78%	0.775	S	S	*	*			cis	-137.8	170.4	4.7	39.7	-20.7	0	0	0	118
127	S	35.6	Very low	41.5	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	77%	0.772	S	S	*	*			trans	77.1	124.1	143.7	-142.7	0	0	0	0	122.8
128	S	46.6	Very low	42.1	Very low	101 Å²	101	143.2 Å²	143.2	71%	0.706	77%	0.769	S	S	*	*			trans	-87.1	142.1	163.7	-174.8	0	0	0	0	109.9
129	D	46.3	Very low	42.7	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	76%	0.762	S	S	*	*			trans	-165.8	138.2	139.8	-145.8	-126.9	0	0	0	110.7
130	E	50.5	Low	43.7	Very low	145 Å²	145	139.7 Å²	139.7	68%	0.678	76%	0.763	S	S	*	*			trans	-40.9	145.7	175	29.8	-103.1	48.3	0	0	120
131	E	37.5	Very low	45	Very low	191 Å²	191	138.5 Å²	138.5	89%	0.893	77%	0.766	S	S	*	*				-173.7	144.2	117.2	-112.2	-176	90.5	0	0	113.4
132	D	46.1	Very low	45.9	Very low	123 Å²	123	138.9 Å²	138.9	66%	0.658	76%	0.763	S	S	*	*			trans	-61.2	140.7	170.4	-179	-93.1	0	0	0	111.6
133	I	36.9	Very low	47	Very low	160 Å²	160	139.6 Å²	139.6	82%	0.821	77%	0.768	S	S	*	*			trans	-156.4	101.1	144.4	-93.2	136.1	0	0	0	108
134	E	40.8	Very low	47.5	Very low	118 Å²	118	141.3 Å²	141.3	55%	0.551	77%	0.77	S	S	*	*			trans	-8.6	135.2	141.8	-93.1	-171.2	116.3	0	0	117.9
135	R	45.3	Very low	47.3	Very low	195 Å²	195	138.9 Å²	138.9	74%	0.736	77%	0.766	S	S	*	*			trans	92.9	144.3	138.5	-66.7	164.3	-171.9	-156.2	6.9	119.7
136	Q	36.4	Very low	47.7	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	77%	0.774	S	S	*	*			trans	91.4	97.1	153.8	-74.8	152.4	-17.2	0	0	117.5
137	S	50.1	Low	47.8	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	78%	0.777	S	S	*	*			trans	-41.1	138.9	146.8	-49	0	0	0	0	111.1
138	P	55.6	Low	48.5	Very low	122 Å²	122	143.2 Å²	143.2	79%	0.792	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-73	141.8	169.2	-10.5	26.3	0	0	0	110.5
139	P	46.9	Very low	48.3	Very low	121 Å²	121	141.6 Å²	141.6	79%	0.786	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.1	155.6	-177.6	32.4	-33.6	0	0	0	112.1
140	L	55	Low	48.7	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-53.8	134.1	164.7	-61	165.3	0	0	0	109.6
141	E	58	Low	48.2	Very low	193 Å²	193	140.9 Å²	140.9	90%	0.902	78%	0.782	S	S	*	*			trans	-160.3	154.1	140.1	-77	-131.4	116.6	0	0	111.6
142	V	51.9	Low	48.8	Very low	111 Å²	111	137.3 Å²	137.3	67%	0.673	78%	0.775	S	S	*	*			trans	-61.4	145	-162.5	48.7	0	0	0	0	117.3
143	S	62.4	Low	48.4	Very low	119 Å²	119	133.4 Å²	133.4	83%	0.832	76%	0.764	S	S	*	*			trans	-143.2	101.4	150	-167.3	0	0	0	0	109.9	G145	S143-G145 PolarHBondContact O-N 3.07Å
144	D	59.1	Low	49.2	Very low	158 Å²	158	132 Å²	132	85%	0.845	77%	0.765	S	S	*	*			trans	-67.6	111.1	163	-78.4	-71.9	0	0	0	108.6
145	G	46.2	Very low	49.2	Very low	60 Å²	60	129 Å²	129	62%	0.619	77%	0.765	S	S	*	*			trans	-148.3	86.4	-179.7	0	0	0	0	0	110.5	S143 T147	S143-G145 PolarHBondContact O-N 3.07Å; G145-T147 PolarHBondContact O-N 3.43Å
146	E	51.8	Low	49.8	Very low	211 Å²	211	127.2 Å²	127.2	99%	0.986	77%	0.77	S	S	*	*			trans	-58.4	109.5	165	-158	-177.7	122.5	0	0	108.5
147	T	44.8	Very low	50.2	Low	126 Å²	126	126.4 Å²	126.4	77%	0.773	77%	0.768	S	S	*	*			trans	-150.6	115.3	165.3	178.2	0	0	0	0	110.1	G145 G149	G145-T147 PolarHBondContact O-N 3.43Å; T147-G149 PolarHBondContact O-N 2.97Å
148	D	49.3	Very low	49.9	Very low	155 Å²	155	129.2 Å²	129.2	83%	0.829	77%	0.769	S	S	*	*			trans	-49.5	121.3	172	-144.7	-80.2	0	0	0	110.3
149	G	43.8	Very low	49	Very low	66 Å²	66	126.5 Å²	126.5	68%	0.68	76%	0.762	S	S	*	*			trans	-147.2	89.8	-175.4	0	0	0	0	0	109.3	T147 D151	T147-G149 PolarHBondContact O-N 2.97Å; G149-D151 PolarHBondContact O-N 3.24Å
150	V	53.2	Low	49.1	Very low	137 Å²	137	129.2 Å²	129.2	83%	0.83	77%	0.765	S	S	*	*			trans	-69	95.8	178.7	-166	0	0	0	0	109.5
151	D	41.9	Very low	48.7	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	76%	0.762	S	S	*	*			trans	-110.1	118.1	162.5	-176.4	-111.4	0	0	0	109	G149 G153	G149-D151 PolarHBondContact O-N 3.24Å; D151-G153 PolarHBondContact O-N 3.31Å; D151-G153 WeakPolarHBondContact OD1-CA 3.2Å; D151-G153 PolarHBondContact OD1-N 2.91Å
152	P	49.6	Very low	48	Very low	117 Å²	117	121.7 Å²	121.7	76%	0.76	75%	0.753	S	S	*	*			trans	-82.4	72.1	165.9	34.4	-28.7	0	0	0	108.1
153	G	36.9	Very low	47.6	Very low	40 Å²	40	120.1 Å²	120.1	41%	0.412	75%	0.747	S	S	.	*			trans	-56.6	139.2	159.6	0	0	0	0	0	108.4	D151 G155	D151-G153 PolarHBondContact O-N 3.31Å; D151-G153 WeakPolarHBondContact OD1-CA 3.2Å; D151-G153 PolarHBondContact OD1-N 2.91Å; G153-G155 PolarHBondContact O-N 3.07Å
154	P	54.3	Low	47.5	Very low	130 Å²	130	125.2 Å²	125.2	84%	0.844	75%	0.754	S	S	*	*			trans	-75.2	65.7	177.8	31.3	-32.9	0	0	0	110.1	L156	P154-L156 PolarHBondContact O-N 2.86Å
155	G	39.5	Very low	48.1	Very low	55 Å²	55	125.8 Å²	125.8	57%	0.567	75%	0.749	S	S	*	*			trans	-71.5	105.1	160.5	0	0	0	0	0	107.3	G153 M157	G153-G155 PolarHBondContact O-N 3.07Å; G155-M157 PolarHBondContact O-N 3.5Å
156	L	58.4	Low	50	Low	159 Å²	159	131.2 Å²	131.2	83%	0.832	76%	0.755	S	S	*	*				28.1	86.9	96	-94.9	92.4	0	0	0	111.3	P154	P154-L156 PolarHBondContact O-N 2.86Å
157	M	44.5	Very low	52	Low	161 Å²	161	123.1 Å²	123.1	79%	0.793	72%	0.718	S	S	*	*			trans	-139.4	119	158.5	-76.2	-61.4	132.4	0	0	111.3	G155	G155-M157 PolarHBondContact O-N 3.5Å
158	H	45.3	Very low	54.5	Low	171 Å²	171	122.7 Å²	122.7	79%	0.792	70%	0.703	S	S	*	*			trans	77.7	113.1	154.7	-80.8	75.3	0	0	0	121.2
159	G	36.1	Very low	56.8	Low	64 Å²	64	115.4 Å²	115.4	66%	0.66	66%	0.664	S	S	*	*			trans	169.3	69.5	168.1	0	0	0	0	0	108.2	T161	G159-T161 PolarHBondContact O-N 3.47Å
160	E	48.5	Very low	59.4	Low	179 Å²	179	113.5 Å²	113.5	84%	0.836	64%	0.636	S	S	*	*			trans	-48.5	110.8	172.4	-58	170.3	101.1	0	0	109.5
161	T	46.4	Very low	61.5	Low	132 Å²	132	109.6 Å²	109.6	81%	0.81	61%	0.609	S	S	*	*			trans	-164.1	126	155.7	30.4	0	0	0	0	109.1	G159	G159-T161 PolarHBondContact O-N 3.47Å
162	G	44.2	Very low	64.1	Low	69 Å²	69	103.8 Å²	103.8	71%	0.711	58%	0.577	S	S	*	*	S	Bend	trans	-55.4	154.7	-178	0	0	0	0	0	113.9
163	S	42.3	Very low	66.4	Low	78 Å²	78	98.2 Å²	98.2	55%	0.545	54%	0.541	S	S	.	.	S	Bend	trans	62.8	113.7	-178.5	68.2	0	0	0	0	114.1	K165	S163-K165 PolarHBondContact O-N 2.98Å; S163-K165 WeakPolarHBondContact OG-CE 3.47Å
164	K	61.8	Low	69.3	Low	226 Å²	226	96.8 Å²	96.8	98%	0.983	52%	0.524	S	S	*	.			trans	-66.3	51.2	179.1	-61.8	177.2	-178.9	170.6	0	112.9	K166	K164-K166 PolarHBondContact O-N 2.8Å
165	K	71.4	Confident	71.3	Confident	171 Å²	171	94.3 Å²	94.3	74%	0.743	50%	0.504	S	S	*	.			trans	-69.9	129.9	177.5	-66.2	174.8	-177.8	167	0	107.8	S163 I167	S163-K165 PolarHBondContact O-N 2.98Å; S163-K165 WeakPolarHBondContact OG-CE 3.47Å; K165-I167 PolarHBondContact O-N 3.45Å
166	K	86.8	Confident	74.1	Confident	173 Å²	173	92 Å²	92	75%	0.752	48%	0.478	S	S	*	.			trans	-63	103.8	177	-174.4	174.1	-176.4	172	0	109.5	K164 R168	K164-K166 PolarHBondContact O-N 2.8Å; K166-R168 PolarHBondContact O-N 3.04Å
167	I	93.6	Very high	75.9	Confident	41 Å²	41	85 Å²	85	21%	0.21	44%	0.442	C	S	.	.			trans	-57.2	135.4	178.7	-170.1	168.8	0	0	0	111	K165 Q171 F172 W210 Q213 K214	K165-I167 PolarHBondContact O-N 3.45Å; I167-Q171 HydrophobicContact CD1-CB 4.4Å; I167-Q171 HydrophobicContact CG1-CB 3.93Å; I167-F172 HydrophobicContact CD1-CB 3.91Å; I167-F172 HydrophobicContact CG1-CB 4.31Å; I167-W210 HydrophobicContact CG2-CH2 4.28Å; I167-W210 HydrophobicContact CG2-CZ3 4Å; I167-Q213 HydrophobicContact CG2-CG 4.26Å; I167-K214 HydrophobicContact CG2-CD 4.33Å; I167-K214 PolarHBondContact O-NZ 2.87Å
168	R	96.6	Very high	78.4	Confident	117 Å²	117	84.7 Å²	84.7	44%	0.442	43%	0.432	S	S	.	.			trans	-90.4	155.7	174.7	-65.5	-171.3	-73.9	-141.9	9.5	110.2	K166 Y170 Q171 F172	K166-R168 PolarHBondContact O-N 3.04Å; R168-Y170 VanDerWaalsContact C-N 3.32Å; R168-Y170 HydrophobicContact CB-CD1 3.9Å; R168-Y170 HydrophobicContact CB-CE1 3.87Å; R168-Y170 HydrophobicContact CG-CE1 4.47Å; R168-Y170 VanDerWaalsContact NE-CE1 3.25Å; R168-Y170 PolarHBondContact NH2-OH 3.01Å; R168-Y170 PolarHBondContact O-N 2.91Å; R168-Q171 HydrophobicContact CB-CG 4.31Å; R168-Q171 WeakPolarHBondContact O-CB 3.27Å; R168-Q171 PolarHBondContact O-N 2.67Å; R168-Q171 VanDerWaalsContact O-N 3.17Å; R168-F172 PolarHBondContact O-N 3.32Å; R168-F172 VanDerWaalsContact O-N 3.12Å
169	L	98	Very high	80.8	Confident	3 Å²	3	80 Å²	80	2%	0.016	42%	0.418	C	S	.	.	H	α-helix	trans	-59.8	-43.8	-176	170	62.9	0	0	0	111.5	Q171 F172 L173 W210 M225 A228 L229 Y232	L169-Q171 PolarHBondContact O-N 2.79Å; L169-F172 HydrophobicContact CD1-CD1 4.36Å; L169-F172 PolarHBondContact O-N 3.47Å; L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CD2 4.22Å; L169-L173 HydrophobicContact CD1-CG 3.94Å; L169-L173 HydrophobicContact CG-CD1 4.16Å; L169-L173 HydrophobicContact CG-CG 4.38Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 3.33Å; L169-W210 HydrophobicContact CB-CH2 4.15Å; L169-W210 HydrophobicContact CB-CZ2 3.62Å; L169-W210 HydrophobicContact CD1-CD2 3.82Å; L169-W210 HydrophobicContact CD1-CE3 4.44Å; L169-W210 HydrophobicContact CD1-CG 3.9Å; L169-W210 HydrophobicContact CD1-CZ2 4.26Å; L169-M225 HydrophobicContact CD1-CG 3.77Å; L169-M225 HydrophobicContact CD1-SD 3.89Å; L169-M225 HydrophobicContact CD2-CG 3.53Å; L169-M225 HydrophobicContact CG-CG 4.3Å; L169-A228 HydrophobicContact CD2-CB 3.88Å; L169-L229 HydrophobicContact CD2-CD2 3.74Å; L169-L229 HydrophobicContact CD2-CG 3.86Å; L169-L229 HydrophobicContact CG-CD2 4.13Å; L169-Y232 HydrophobicContact CB-CE2 4.08Å; L169-Y232 HydrophobicContact CD2-CE2 4.49Å; L169-Y232 PolarHBondContact N-OH 3.04Å
170	Y	97.8	Very high	83.5	Confident	26 Å²	26	79 Å²	79	10%	0.102	41%	0.408	C	S	.	.	H	α-helix	trans	-62.8	-33.6	-179	81.6	-99.7	0	0	0	112.4	R168 L174 Y232 E237 V253	R168-Y170 VanDerWaalsContact C-N 3.32Å; R168-Y170 HydrophobicContact CB-CD1 3.9Å; R168-Y170 HydrophobicContact CB-CE1 3.87Å; R168-Y170 HydrophobicContact CG-CE1 4.47Å; R168-Y170 VanDerWaalsContact NE-CE1 3.25Å; R168-Y170 PolarHBondContact NH2-OH 3.01Å; R168-Y170 PolarHBondContact O-N 2.91Å; Y170-L174 WeakPolarHBondContact O-CB 3.11Å; Y170-L174 PolarHBondContact O-N 2.88Å; Y170-Y232 AromaticContact CD1-CE1 3.97Å; Y170-Y232 HydrophobicContact CD1-CE1 3.97Å; Y170-Y232 HydrophobicContact CD1-CE2 4.35Å; Y170-Y232 AromaticContact CD1-CZ 3.89Å; Y170-E237 HydrophobicContact CD1-CB 4.25Å; Y170-E237 HydrophobicContact CD1-CG 4.29Å; Y170-E237 HydrophobicContact CD2-CB 4.44Å; Y170-E237 HydrophobicContact CE1-CB 4.45Å; Y170-E237 HydrophobicContact CE1-CG 4.02Å; Y170-E237 HydrophobicContact CG-CB 4.25Å; Y170-V253 HydrophobicContact CD2-CG1 3.97Å; Y170-V253 HydrophobicContact CD2-CG2 4.33Å; Y170-V253 HydrophobicContact CE2-CG1 4.09Å; Y170-V253 HydrophobicContact CE2-CG2 4.08Å
171	Q	97.3	Very high	85.7	Confident	54 Å²	54	74.2 Å²	74.2	25%	0.252	39%	0.388	S	S	.	.	H	α-helix	trans	-67.9	-49.8	177.7	-65.6	163.4	-15.7	0	0	109.7	I167 R168 L169 L173 L174 D175	I167-Q171 HydrophobicContact CD1-CB 4.4Å; I167-Q171 HydrophobicContact CG1-CB 3.93Å; R168-Q171 HydrophobicContact CB-CG 4.31Å; R168-Q171 WeakPolarHBondContact O-CB 3.27Å; R168-Q171 PolarHBondContact O-N 2.67Å; R168-Q171 VanDerWaalsContact O-N 3.17Å; L169-Q171 PolarHBondContact O-N 2.79Å; Q171-L173 VanDerWaalsContact C-N 3.3Å; Q171-L173 PolarHBondContact O-N 3.25Å; Q171-L174 WeakPolarHBondContact O-CB 3.24Å; Q171-L174 PolarHBondContact O-N 2.96Å; Q171-L174 VanDerWaalsContact O-N 3.08Å; Q171-D175 VanDerWaalsContact O-CG 3.23Å; Q171-D175 PolarHBondContact O-N 3.3Å
172	F	97.6	Very high	88	Confident	13 Å²	13	70.2 Å²	70.2	6%	0.057	36%	0.361	C	S	.	.	H	α-helix	trans	-54	-45	175.1	170.5	-103.1	0	0	0	112.9	I167 R168 L169 D175 L176 L206 R209 W210 Q213	I167-F172 HydrophobicContact CD1-CB 3.91Å; I167-F172 HydrophobicContact CG1-CB 4.31Å; R168-F172 PolarHBondContact O-N 3.32Å; R168-F172 VanDerWaalsContact O-N 3.12Å; L169-F172 HydrophobicContact CD1-CD1 4.36Å; L169-F172 PolarHBondContact O-N 3.47Å; F172-D175 PolarHBondContact O-N 3.07Å; F172-L176 HydrophobicContact CD1-CD1 3.71Å; F172-L176 HydrophobicContact CD2-CD1 4.31Å; F172-L176 HydrophobicContact CE1-CD1 3.27Å; F172-L176 HydrophobicContact CE2-CD1 3.94Å; F172-L176 HydrophobicContact CG-CD1 4.22Å; F172-L176 HydrophobicContact CZ-CD1 3.42Å; F172-L176 VanDerWaalsContact CZ-CD1 3.42Å; F172-L176 HydrophobicContact CZ-CG 4.36Å; F172-L176 WeakPolarHBondContact O-CD1 3.33Å; F172-L176 PolarHBondContact O-N 3.04Å; F172-L176 VanDerWaalsContact O-N 3.08Å; F172-L206 HydrophobicContact CE1-CD2 4.48Å; F172-R209 HydrophobicContact CZ-CG 4.26Å; F172-W210 HydrophobicContact CB-CE3 3.78Å; F172-W210 HydrophobicContact CB-CH2 4.38Å; F172-W210 HydrophobicContact CB-CZ3 3.5Å; F172-W210 HydrophobicContact CD1-CB 4.21Å; F172-W210 HydrophobicContact CD1-CD2 4.11Å; F172-W210 AromaticContact CD1-CE3 3.48Å; F172-W210 HydrophobicContact CD1-CE3 3.48Å; F172-W210 VanDerWaalsContact CD1-CE3 3.48Å; F172-W210 HydrophobicContact CD1-CG 4.43Å; F172-W210 HydrophobicContact CD1-CZ3 4.14Å; F172-W210 AromaticContact CD2-CE3 4Å; F172-W210 HydrophobicContact CD2-CE3 4Å; F172-W210 HydrophobicContact CD2-CZ3 4.28Å; F172-W210 HydrophobicContact CE1-CB 3.7Å; F172-W210 HydrophobicContact CE1-CD2 4.45Å; F172-W210 AromaticContact CE1-CE3 4Å; F172-W210 HydrophobicContact CE1-CE3 4Å; F172-W210 HydrophobicContact CE1-CG 4.39Å; F172-W210 HydrophobicContact CE2-CE3 4.45Å; F172-W210 HydrophobicContact CG-CD2 4.49Å; F172-W210 AromaticContact CG-CE3 3.47Å; F172-W210 HydrophobicContact CG-CE3 3.47Å; F172-W210 VanDerWaalsContact CG-CE3 3.47Å; F172-W210 AromaticContact CG-CZ3 3.73Å; F172-W210 HydrophobicContact CG-CZ3 3.73Å; F172-W210 HydrophobicContact CZ-CB 4.25Å; F172-W210 HydrophobicContact CZ-CE3 4.44Å; F172-Q213 HydrophobicContact CD2-CG 4.14Å; F172-Q213 HydrophobicContact CE2-CB 4.4Å; F172-Q213 HydrophobicContact CE2-CG 4.24Å
173	L	98.1	Very high	90.5	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-66.7	-39.6	177.6	-64.2	179.5	0	0	0	112.6	L169 Q171 D175 L176 L177 I186 F196 F198 L206 L229 F249	L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CD2 4.22Å; L169-L173 HydrophobicContact CD1-CG 3.94Å; L169-L173 HydrophobicContact CG-CD1 4.16Å; L169-L173 HydrophobicContact CG-CG 4.38Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 3.33Å; Q171-L173 VanDerWaalsContact C-N 3.3Å; Q171-L173 PolarHBondContact O-N 3.25Å; L173-D175 VanDerWaalsContact C-N 3.34Å; L173-L176 HydrophobicContact CD2-CD1 4.35Å; L173-L177 WeakPolarHBondContact O-CB 3.35Å; L173-L177 WeakPolarHBondContact O-CD1 3.34Å; L173-L177 WeakPolarHBondContact O-CG 3.5Å; L173-L177 PolarHBondContact O-N 2.82Å; L173-I186 HydrophobicContact CB-CD1 4.39Å; L173-I186 HydrophobicContact CD2-CD1 4.07Å; L173-F196 HydrophobicContact CD1-CE2 4.35Å; L173-F196 HydrophobicContact CD1-CZ 4.38Å; L173-F198 HydrophobicContact CD1-CZ 3.85Å; L173-F198 HydrophobicContact CD2-CE1 4.01Å; L173-F198 HydrophobicContact CD2-CZ 4.14Å; L173-L206 HydrophobicContact CD2-CD1 4.41Å; L173-L206 HydrophobicContact CD2-CD2 3.71Å; L173-L229 HydrophobicContact CD1-CD1 4.36Å; L173-L229 HydrophobicContact CD1-CD2 3.74Å; L173-F249 HydrophobicContact CB-CZ 4.18Å
174	L	97.4	Very high	93.1	Very high	10 Å²	10	75.4 Å²	75.4	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-40.2	177.6	-177.3	62.6	0	0	0	111.2	Y170 Q171 L177 R178 W188 F249 V253 M254	Y170-L174 WeakPolarHBondContact O-CB 3.11Å; Y170-L174 PolarHBondContact O-N 2.88Å; Q171-L174 WeakPolarHBondContact O-CB 3.24Å; Q171-L174 PolarHBondContact O-N 2.96Å; Q171-L174 VanDerWaalsContact O-N 3.08Å; L174-L177 PolarHBondContact O-N 3.08Å; L174-R178 WeakPolarHBondContact O-CB 3.5Å; L174-R178 WeakPolarHBondContact O-CG 3.47Å; L174-R178 PolarHBondContact O-N 3.29Å; L174-W188 HydrophobicContact CD1-CH2 3.84Å; L174-W188 HydrophobicContact CD1-CZ2 4.03Å; L174-F249 HydrophobicContact CB-CE1 4.4Å; L174-F249 HydrophobicContact CB-CE2 4.35Å; L174-F249 HydrophobicContact CB-CZ 3.95Å; L174-F249 HydrophobicContact CD1-CD2 4.15Å; L174-F249 HydrophobicContact CD1-CE2 3.92Å; L174-F249 HydrophobicContact CD1-CZ 4.35Å; L174-V253 HydrophobicContact CD2-CG1 3.86Å; L174-M254 HydrophobicContact CD1-SD 4.14Å
175	D	96.4	Very high	94.8	Very high	79 Å²	79	65 Å²	65	42%	0.422	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-48.1	177.8	-64.9	-20.8	0	0	0	111	Q171 F172 L173 L177 R178 S179	Q171-D175 VanDerWaalsContact O-CG 3.23Å; Q171-D175 PolarHBondContact O-N 3.3Å; F172-D175 PolarHBondContact O-N 3.07Å; L173-D175 VanDerWaalsContact C-N 3.34Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.32Å; D175-R178 PolarHBondContact O-N 3Å; D175-R178 VanDerWaalsContact O-N 3.07Å; D175-S179 PolarHBondContact O-N 3.08Å; D175-S179 PolarHBondContact O-OG 2.93Å
176	L	96.9	Very high	96.1	Very high	6 Å²	6	57 Å²	57	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-51.2	-47.2	171.7	-87.1	152.7	0	0	0	112.3	F172 L173 R178 S179 G180 D181 M182 I186 L206	F172-L176 HydrophobicContact CD1-CD1 3.71Å; F172-L176 HydrophobicContact CD2-CD1 4.31Å; F172-L176 HydrophobicContact CE1-CD1 3.27Å; F172-L176 HydrophobicContact CE2-CD1 3.94Å; F172-L176 HydrophobicContact CG-CD1 4.22Å; F172-L176 HydrophobicContact CZ-CD1 3.42Å; F172-L176 VanDerWaalsContact CZ-CD1 3.42Å; F172-L176 HydrophobicContact CZ-CG 4.36Å; F172-L176 WeakPolarHBondContact O-CD1 3.33Å; F172-L176 PolarHBondContact O-N 3.04Å; F172-L176 VanDerWaalsContact O-N 3.08Å; L173-L176 HydrophobicContact CD2-CD1 4.35Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.99Å; L176-S179 PolarHBondContact O-OG 2.89Å; L176-G180 PolarHBondContact O-N 3.3Å; L176-D181 HydrophobicContact CD2-CB 3.89Å; L176-D181 PolarHBondContact O-N 3.12Å; L176-M182 HydrophobicContact CD2-CB 4.05Å; L176-M182 HydrophobicContact CD2-CG 3.86Å; L176-M182 HydrophobicContact CD2-SD 3.8Å; L176-I186 HydrophobicContact CB-CG2 4.47Å; L176-L206 HydrophobicContact CD1-CD1 4.3Å; L176-L206 HydrophobicContact CD1-CG 4.41Å
177	L	97.5	Very high	96.7	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-23.9	-178.6	-81.9	167.2	0	0	0	113.5	L173 L174 D175 I186 W187 W188 F196 F249	L173-L177 WeakPolarHBondContact O-CB 3.35Å; L173-L177 WeakPolarHBondContact O-CD1 3.34Å; L173-L177 WeakPolarHBondContact O-CG 3.5Å; L173-L177 PolarHBondContact O-N 2.82Å; L174-L177 PolarHBondContact O-N 3.08Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.32Å; L177-I186 HydrophobicContact CD1-CD1 3.85Å; L177-I186 HydrophobicContact CD1-CG1 4.34Å; L177-I186 HydrophobicContact CD2-CD1 4.32Å; L177-I186 HydrophobicContact CD2-CG1 3.98Å; L177-I186 HydrophobicContact CD2-CG2 4.39Å; L177-I186 HydrophobicContact CG-CD1 3.96Å; L177-I186 HydrophobicContact CG-CG1 4.18Å; L177-I186 HydrophobicContact CG-CG2 4.45Å; L177-W187 VanDerWaalsContact CD2-C 3.48Å; L177-W188 HydrophobicContact CB-CD2 4.49Å; L177-W188 HydrophobicContact CB-CH2 4.31Å; L177-W188 HydrophobicContact CB-CZ2 3.52Å; L177-W188 HydrophobicContact CD1-CD2 4.49Å; L177-W188 HydrophobicContact CD1-CE3 4.45Å; L177-W188 HydrophobicContact CD1-CH2 3.93Å; L177-W188 HydrophobicContact CD1-CZ2 3.97Å; L177-W188 HydrophobicContact CD1-CZ3 4.17Å; L177-W188 HydrophobicContact CD2-CD2 4.12Å; L177-W188 HydrophobicContact CD2-CG 4.21Å; L177-W188 HydrophobicContact CG-CZ2 4.24Å; L177-W188 PolarHBondContact O-NE1 3.23Å; L177-F196 HydrophobicContact CD1-CB 3.66Å; L177-F196 HydrophobicContact CD1-CD1 4.16Å; L177-F196 HydrophobicContact CD1-CD2 4.2Å; L177-F196 HydrophobicContact CD1-CG 3.77Å; L177-F196 HydrophobicContact CD2-CB 4.26Å; L177-F249 HydrophobicContact CD1-CE2 3.73Å; L177-F249 HydrophobicContact CD1-CZ 4.32Å
178	R	95.9	Very high	96.9	Very high	154 Å²	154	54 Å²	54	58%	0.581	26%	0.261	S	S	*	.	H	α-helix	trans	-86.8	-40.5	176.3	-77	175.8	171.2	170.9	-2.9	112	L174 D175 L176 G180	L174-R178 WeakPolarHBondContact O-CB 3.5Å; L174-R178 WeakPolarHBondContact O-CG 3.47Å; L174-R178 PolarHBondContact O-N 3.29Å; D175-R178 PolarHBondContact O-N 3Å; D175-R178 VanDerWaalsContact O-N 3.07Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.99Å; R178-G180 VanDerWaalsContact C-N 3.26Å
179	S	95.3	Very high	97	Very high	71 Å²	71	51.5 Å²	51.5	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-71.5	-23.8	175.3	67.6	0	0	0	0	112.3	D175 L176 D181	D175-S179 PolarHBondContact O-N 3.08Å; D175-S179 PolarHBondContact O-OG 2.93Å; L176-S179 PolarHBondContact O-OG 2.89Å; S179-D181 VanDerWaalsContact C-N 3.26Å; S179-D181 WeakPolarHBondContact OG-CB 3.33Å; S179-D181 PolarHBondContact OG-N 3.3Å; S179-D181 PolarHBondContact OG-OD2 3.17Å
180	G	93.8	Very high	97	Very high	44 Å²	44	53.7 Å²	53.7	45%	0.454	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	10	-175.1	0	0	0	0	0	113.1	L176 R178	L176-G180 PolarHBondContact O-N 3.3Å; R178-G180 VanDerWaalsContact C-N 3.26Å
181	D	94.4	Very high	96.9	Very high	78 Å²	78	59 Å²	59	42%	0.417	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	144.9	176.3	-72.6	-30.2	0	0	0	111.5	L176 S179 K183	L176-D181 HydrophobicContact CD2-CB 3.89Å; L176-D181 PolarHBondContact O-N 3.12Å; S179-D181 VanDerWaalsContact C-N 3.26Å; S179-D181 WeakPolarHBondContact OG-CB 3.33Å; S179-D181 PolarHBondContact OG-N 3.3Å; S179-D181 PolarHBondContact OG-OD2 3.17Å; D181-K183 PolarHBondContact O-N 2.79Å
182	M	95.3	Very high	96.8	Very high	49 Å²	49	63.3 Å²	63.3	24%	0.241	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	39.1	178.2	-51.1	-175.9	71.1	0	0	113.5	L176 D184 S185 I186 A205 L206 R209	L176-M182 HydrophobicContact CD2-CB 4.05Å; L176-M182 HydrophobicContact CD2-CG 3.86Å; L176-M182 HydrophobicContact CD2-SD 3.8Å; M182-D184 PolarHBondContact O-N 2.9Å; M182-S185 WeakPolarHBondContact O-CA 3.35Å; M182-S185 WeakPolarHBondContact O-CB 3.27Å; M182-S185 PolarHBondContact O-N 2.96Å; M182-I186 PolarHBondContact O-N 3.35Å; M182-I186 VanDerWaalsContact O-N 3.13Å; M182-A205 HydrophobicContact CE-CB 4.31Å; M182-L206 HydrophobicContact CE-CB 3.94Å; M182-R209 HydrophobicContact SD-CB 4.39Å; M182-R209 WeakPolarHBondContact SD-CD 3.41Å; M182-R209 HydrophobicContact SD-CG 4.48Å; M182-R209 PolarHBondContact SD-NH1 2.95Å
183	K	96.3	Very high	96.7	Very high	149 Å²	149	68.8 Å²	68.8	65%	0.648	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-28.8	177	65.3	-176.5	-178.6	-177.5	0	114.1	D181 S185	D181-K183 PolarHBondContact O-N 2.79Å; K183-S185 PolarHBondContact O-N 2.92Å
184	D	97.1	Very high	96.7	Very high	106 Å²	106	68.8 Å²	68.8	57%	0.567	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-11	176.7	-53.1	-36.5	0	0	0	113.7	M182 S199 H202	M182-D184 PolarHBondContact O-N 2.9Å; D184-S199 WeakPolarHBondContact O-CB 3.34Å; D184-S199 PolarHBondContact O-OG 3.32Å; D184-S199 VanDerWaalsContact O-OG 3.04Å; D184-H202 PolarHBondContact O-ND1 3.28Å
185	S	98.3	Very high	96.8	Very high	7 Å²	7	69 Å²	69	5%	0.049	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-34.9	-177.7	-57.5	0	0	0	0	113.4	M182 K183 F198 S199 H202	M182-S185 WeakPolarHBondContact O-CA 3.35Å; M182-S185 WeakPolarHBondContact O-CB 3.27Å; M182-S185 PolarHBondContact O-N 2.96Å; K183-S185 PolarHBondContact O-N 2.92Å; S185-F198 CarbonylContact O-C 3.28Å; S185-F198 WeakPolarHBondContact O-CA 3.37Å; S185-S199 PolarHBondContact O-N 3.43Å; S185-H202 VanDerWaalsContact OG-CB 3.31Å; S185-H202 WeakPolarHBondContact OG-CB 3.39Å; S185-H202 PolarHBondContact OG-O 3.39Å
186	I	98.6	Very high	96.9	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	138.5	179.2	-166.2	179.3	0	0	0	110.3	L173 L176 L177 M182 F196 Q197 F198 L206	L173-I186 HydrophobicContact CB-CD1 4.39Å; L173-I186 HydrophobicContact CD2-CD1 4.07Å; L176-I186 HydrophobicContact CB-CG2 4.47Å; L177-I186 HydrophobicContact CD1-CD1 3.85Å; L177-I186 HydrophobicContact CD1-CG1 4.34Å; L177-I186 HydrophobicContact CD2-CD1 4.32Å; L177-I186 HydrophobicContact CD2-CG1 3.98Å; L177-I186 HydrophobicContact CD2-CG2 4.39Å; L177-I186 HydrophobicContact CG-CD1 3.96Å; L177-I186 HydrophobicContact CG-CG1 4.18Å; L177-I186 HydrophobicContact CG-CG2 4.45Å; M182-I186 PolarHBondContact O-N 3.35Å; M182-I186 VanDerWaalsContact O-N 3.13Å; I186-F196 HydrophobicContact CD1-CD2 3.7Å; I186-F196 HydrophobicContact CD1-CE2 4.03Å; I186-F196 HydrophobicContact CG1-CD2 4.04Å; I186-Q197 WeakPolarHBondContact CA-O 3.25Å; I186-F198 HydrophobicContact CB-CD1 4.19Å; I186-F198 HydrophobicContact CB-CE1 4.48Å; I186-F198 HydrophobicContact CD1-CD1 4.09Å; I186-F198 HydrophobicContact CD1-CE1 3.63Å; I186-F198 HydrophobicContact CD1-CZ 4.04Å; I186-F198 HydrophobicContact CG1-CD1 4.06Å; I186-F198 HydrophobicContact CG1-CE1 4.12Å; I186-L206 HydrophobicContact CB-CD1 3.62Å; I186-L206 HydrophobicContact CD1-CD1 4.3Å; I186-L206 HydrophobicContact CG2-CD1 3.48Å; I186-L206 VanDerWaalsContact CG2-CD1 3.48Å
187	W	98.6	Very high	97	Very high	97 Å²	97	66.8 Å²	66.8	37%	0.367	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.6	177.8	61.7	95.5	0	0	0	112.2	L177 F196 Q197	L177-W187 VanDerWaalsContact CD2-C 3.48Å; W187-F196 CarbonylContact O-C 3.58Å; W187-F196 VanDerWaalsContact O-CA 3.25Å; W187-F196 WeakPolarHBondContact O-CA 2.97Å; W187-F196 WeakPolarHBondContact O-CB 3.38Å; W187-Q197 HydrophobicContact CZ2-CB 4.38Å; W187-Q197 HydrophobicContact CZ2-CG 4.12Å; W187-Q197 PolarHBondContact N-O 2.47Å; W187-Q197 VanDerWaalsContact N-O 3.09Å; W187-Q197 PolarHBondContact O-N 3.14Å
188	W	98.4	Very high	97	Very high	53 Å²	53	66.2 Å²	66.2	20%	0.201	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127	170.1	-65.3	110.1	0	0	0	110.3	L174 L177 K191 F196 F249 M254	L174-W188 HydrophobicContact CD1-CH2 3.84Å; L174-W188 HydrophobicContact CD1-CZ2 4.03Å; L177-W188 HydrophobicContact CB-CD2 4.49Å; L177-W188 HydrophobicContact CB-CH2 4.31Å; L177-W188 HydrophobicContact CB-CZ2 3.52Å; L177-W188 HydrophobicContact CD1-CD2 4.49Å; L177-W188 HydrophobicContact CD1-CE3 4.45Å; L177-W188 HydrophobicContact CD1-CH2 3.93Å; L177-W188 HydrophobicContact CD1-CZ2 3.97Å; L177-W188 HydrophobicContact CD1-CZ3 4.17Å; L177-W188 HydrophobicContact CD2-CD2 4.12Å; L177-W188 HydrophobicContact CD2-CG 4.21Å; L177-W188 HydrophobicContact CG-CZ2 4.24Å; L177-W188 PolarHBondContact O-NE1 3.23Å; W188-K191 HydrophobicContact CB-CB 4.26Å; W188-K191 HydrophobicContact CD2-CB 4.33Å; W188-K191 HydrophobicContact CD2-CG 4.28Å; W188-K191 HydrophobicContact CG-CB 4.12Å; W188-K191 HydrophobicContact CG-CG 4.3Å; W188-F196 HydrophobicContact CE3-CB 4.07Å; W188-F196 HydrophobicContact CZ3-CB 4.26Å; W188-F196 HydrophobicContact CZ3-CD1 4.44Å; W188-F249 AromaticContact CH2-CD2 3.66Å; W188-F249 HydrophobicContact CH2-CD2 3.66Å; W188-F249 AromaticContact CH2-CE2 3.71Å; W188-F249 HydrophobicContact CH2-CE2 3.71Å; W188-F249 AromaticContact CZ3-CD2 3.81Å; W188-F249 HydrophobicContact CZ3-CD2 3.81Å; W188-F249 HydrophobicContact CZ3-CE2 4.05Å; W188-M254 HydrophobicContact CH2-CE 3.84Å; W188-M254 HydrophobicContact CH2-SD 3.71Å; W188-M254 HydrophobicContact CZ2-CE 4.44Å; W188-M254 HydrophobicContact CZ3-CE 4.16Å; W188-M254 HydrophobicContact CZ3-SD 4.17Å
189	V	98.2	Very high	97.2	Very high	66 Å²	66	59.5 Å²	59.5	40%	0.4	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-39.5	164.2	179.2	0	0	0	0	109.6	T195 Q197	V189-T195 HydrophobicContact CB-CG2 4.17Å; V189-T195 PolarHBondContact N-O 3.37Å; V189-Q197 HydrophobicContact CG2-CB 3.46Å; V189-Q197 VanDerWaalsContact CG2-CB 3.46Å
190	D	97.8	Very high	97.3	Very high	49 Å²	49	60.5 Å²	60.5	26%	0.262	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	101.2	177.2	-177.1	-27.6	0	0	0	107.5	E192 K193 G194 T195	D190-E192 VanDerWaalsContact C-N 3.33Å; D190-E192 PolarHBondContact OD1-N 3.23Å; D190-E192 VanDerWaalsContact OD1-N 3.15Å; D190-K193 HydrophobicContact CB-CB 4.2Å; D190-K193 PolarHBondContact O-N 3.24Å; D190-K193 PolarHBondContact OD1-N 3.03Å; D190-K193 WeakPolarHBondContact OD2-CD 3.45Å; D190-K193 WeakPolarHBondContact OD2-CE 3.32Å; D190-K193 VanDerWaalsContact OD2-CG 3.24Å; D190-K193 WeakPolarHBondContact OD2-CG 3.43Å; D190-K193 IonicContact OD2-NZ 3.84Å; D190-G194 CarbonylContact O-C 3.58Å; D190-G194 PolarHBondContact O-N 3.27Å; D190-T195 PolarHBondContact N-O 3.45Å; D190-T195 PolarHBondContact O-N 2.8Å
191	K	96.3	Very high	97.5	Very high	136 Å²	136	66.5 Å²	66.5	59%	0.591	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-37.9	-177.1	-173.1	-179.1	177.1	-174.5	0	111.3	W188 K193 G194 M254	W188-K191 HydrophobicContact CB-CB 4.26Å; W188-K191 HydrophobicContact CD2-CB 4.33Å; W188-K191 HydrophobicContact CD2-CG 4.28Å; W188-K191 HydrophobicContact CG-CB 4.12Å; W188-K191 HydrophobicContact CG-CG 4.3Å; K191-K193 PolarHBondContact O-N 3.38Å; K191-G194 PolarHBondContact O-N 3.32Å; K191-G194 VanDerWaalsContact O-N 3.07Å; K191-M254 VanDerWaalsContact O-CE 3.27Å; K191-M254 WeakPolarHBondContact O-CE 3.46Å
192	E	95.1	Very high	97.7	Very high	145 Å²	145	66 Å²	66	68%	0.678	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-43.6	178.8	-63	-52.3	127.5	0	0	111.1	D190 G194 R256	D190-E192 VanDerWaalsContact C-N 3.33Å; D190-E192 PolarHBondContact OD1-N 3.23Å; D190-E192 VanDerWaalsContact OD1-N 3.15Å; E192-G194 VanDerWaalsContact C-N 3.28Å; E192-G194 PolarHBondContact O-N 3.16Å; E192-R256 PolarHBondContact O-NH1 3.41Å; E192-R256 PolarHBondContact O-NH2 3.15Å; E192-R256 VanDerWaalsContact O-NH2 3.15Å
193	K	96	Very high	97.9	Very high	128 Å²	128	66 Å²	66	56%	0.557	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.5	174.3	-65.2	-175.7	-167.8	169.5	0	113.4	D190 K191 T195 Q248 R256	D190-K193 HydrophobicContact CB-CB 4.2Å; D190-K193 PolarHBondContact O-N 3.24Å; D190-K193 PolarHBondContact OD1-N 3.03Å; D190-K193 WeakPolarHBondContact OD2-CD 3.45Å; D190-K193 WeakPolarHBondContact OD2-CE 3.32Å; D190-K193 VanDerWaalsContact OD2-CG 3.24Å; D190-K193 WeakPolarHBondContact OD2-CG 3.43Å; D190-K193 IonicContact OD2-NZ 3.84Å; K191-K193 PolarHBondContact O-N 3.38Å; K193-T195 VanDerWaalsContact C-N 3.32Å; K193-Q248 WeakPolarHBondContact O-CG 3.36Å; K193-R256 PolarHBondContact O-NH2 3.13Å
194	G	97.7	Very high	98	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	27.2	-172.5	0	0	0	0	0	112.8	D190 K191 E192 Q248 F249	D190-G194 CarbonylContact O-C 3.58Å; D190-G194 PolarHBondContact O-N 3.27Å; K191-G194 PolarHBondContact O-N 3.32Å; K191-G194 VanDerWaalsContact O-N 3.07Å; E192-G194 VanDerWaalsContact C-N 3.28Å; E192-G194 PolarHBondContact O-N 3.16Å; G194-Q248 CarbonylContact O-C 3.6Å; G194-Q248 WeakPolarHBondContact O-CA 3.38Å; G194-F249 PolarHBondContact O-N 3.3Å
195	T	98.5	Very high	98.1	Very high	15 Å²	15	59.7 Å²	59.7	9%	0.092	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.2	178.9	-49.1	0	0	0	0	109.9	V189 D190 K193 V241 T246 Y247 Q248	V189-T195 HydrophobicContact CB-CG2 4.17Å; V189-T195 PolarHBondContact N-O 3.37Å; D190-T195 PolarHBondContact N-O 3.45Å; D190-T195 PolarHBondContact O-N 2.8Å; K193-T195 VanDerWaalsContact C-N 3.32Å; T195-V241 HydrophobicContact CG2-CG2 4.47Å; T195-T246 HydrophobicContact CG2-CG2 3.62Å; T195-Y247 WeakPolarHBondContact CA-O 3.39Å; T195-Q248 PolarHBondContact OG1-NE2 3.35Å
196	F	98.7	Very high	98.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.3	179.7	65.8	-88.8	0	0	0	111.4	L173 L177 I186 W187 W188 F198 V238 T246 Y247 F249	L173-F196 HydrophobicContact CD1-CE2 4.35Å; L173-F196 HydrophobicContact CD1-CZ 4.38Å; L177-F196 HydrophobicContact CD1-CB 3.66Å; L177-F196 HydrophobicContact CD1-CD1 4.16Å; L177-F196 HydrophobicContact CD1-CD2 4.2Å; L177-F196 HydrophobicContact CD1-CG 3.77Å; L177-F196 HydrophobicContact CD2-CB 4.26Å; I186-F196 HydrophobicContact CD1-CD2 3.7Å; I186-F196 HydrophobicContact CD1-CE2 4.03Å; I186-F196 HydrophobicContact CG1-CD2 4.04Å; W187-F196 CarbonylContact O-C 3.58Å; W187-F196 VanDerWaalsContact O-CA 3.25Å; W187-F196 WeakPolarHBondContact O-CA 2.97Å; W187-F196 WeakPolarHBondContact O-CB 3.38Å; W188-F196 HydrophobicContact CE3-CB 4.07Å; W188-F196 HydrophobicContact CZ3-CB 4.26Å; W188-F196 HydrophobicContact CZ3-CD1 4.44Å; F196-F198 HydrophobicContact CD2-CE2 4.32Å; F196-F198 HydrophobicContact CE2-CD2 4.5Å; F196-F198 AromaticContact CE2-CE2 3.7Å; F196-F198 HydrophobicContact CE2-CE2 3.7Å; F196-F198 AromaticContact CE2-CZ 3.87Å; F196-F198 HydrophobicContact CE2-CZ 3.87Å; F196-V238 HydrophobicContact CE1-CG1 4.45Å; F196-V238 HydrophobicContact CZ-CG1 4.27Å; F196-T246 WeakPolarHBondContact O-CA 3.38Å; F196-T246 WeakPolarHBondContact O-CG2 3.45Å; F196-Y247 HydrophobicContact CE2-CD2 4.39Å; F196-Y247 HydrophobicContact CE2-CG 4.44Å; F196-Y247 VanDerWaalsContact CZ-CB 3.44Å; F196-Y247 HydrophobicContact CZ-CG 4.32Å; F196-Y247 PolarHBondContact N-O 3.13Å; F196-Y247 PolarHBondContact O-N 3.09Å; F196-Y247 VanDerWaalsContact O-O 3.1Å; F196-F249 AromaticContact CD1-CD2 3.63Å; F196-F249 HydrophobicContact CD1-CD2 3.63Å; F196-F249 AromaticContact CD1-CE2 3.4Å; F196-F249 HydrophobicContact CD1-CE2 3.4Å; F196-F249 HydrophobicContact CD1-CG 4.44Å; F196-F249 HydrophobicContact CD1-CZ 4.04Å; F196-F249 HydrophobicContact CE1-CD1 4.19Å; F196-F249 AromaticContact CE1-CD2 3.61Å; F196-F249 HydrophobicContact CE1-CD2 3.61Å; F196-F249 AromaticContact CE1-CE1 3.94Å; F196-F249 HydrophobicContact CE1-CE1 3.94Å; F196-F249 AromaticContact CE1-CE2 3.33Å; F196-F249 HydrophobicContact CE1-CE2 3.33Å; F196-F249 HydrophobicContact CE1-CG 4.04Å; F196-F249 AromaticContact CE1-CZ 3.51Å; F196-F249 HydrophobicContact CE1-CZ 3.51Å; F196-F249 HydrophobicContact CG-CE2 4.3Å; F196-F249 HydrophobicContact CZ-CE1 4.38Å; F196-F249 HydrophobicContact CZ-CE2 4.18Å; F196-F249 AromaticContact CZ-CZ 3.97Å; F196-F249 HydrophobicContact CZ-CZ 3.97Å
197	Q	98.8	Very high	98.1	Very high	38 Å²	38	59.1 Å²	59.1	18%	0.178	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.1	-179.4	-179.6	172.2	97.6	0	0	111	I186 W187 V189 K244 L245 T246	I186-Q197 WeakPolarHBondContact CA-O 3.25Å; W187-Q197 HydrophobicContact CZ2-CB 4.38Å; W187-Q197 HydrophobicContact CZ2-CG 4.12Å; W187-Q197 PolarHBondContact N-O 2.47Å; W187-Q197 VanDerWaalsContact N-O 3.09Å; W187-Q197 PolarHBondContact O-N 3.14Å; V189-Q197 HydrophobicContact CG2-CB 3.46Å; V189-Q197 VanDerWaalsContact CG2-CB 3.46Å; Q197-K244 PolarHBondContact NE2-O 2.98Å; Q197-L245 WeakPolarHBondContact CA-O 3.47Å; Q197-L245 HydrophobicContact CG-CB 4.31Å; Q197-T246 PolarHBondContact NE2-OG1 3.45Å
198	F	98.8	Very high	98.1	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.9	169.8	-61.4	-86.7	0	0	0	111.6	L173 S185 I186 F196 K203 L206 Y222 M225 L229 L245 Y247	L173-F198 HydrophobicContact CD1-CZ 3.85Å; L173-F198 HydrophobicContact CD2-CE1 4.01Å; L173-F198 HydrophobicContact CD2-CZ 4.14Å; S185-F198 CarbonylContact O-C 3.28Å; S185-F198 WeakPolarHBondContact O-CA 3.37Å; I186-F198 HydrophobicContact CB-CD1 4.19Å; I186-F198 HydrophobicContact CB-CE1 4.48Å; I186-F198 HydrophobicContact CD1-CD1 4.09Å; I186-F198 HydrophobicContact CD1-CE1 3.63Å; I186-F198 HydrophobicContact CD1-CZ 4.04Å; I186-F198 HydrophobicContact CG1-CD1 4.06Å; I186-F198 HydrophobicContact CG1-CE1 4.12Å; F196-F198 HydrophobicContact CD2-CE2 4.32Å; F196-F198 HydrophobicContact CE2-CD2 4.5Å; F196-F198 AromaticContact CE2-CE2 3.7Å; F196-F198 HydrophobicContact CE2-CE2 3.7Å; F196-F198 AromaticContact CE2-CZ 3.87Å; F196-F198 HydrophobicContact CE2-CZ 3.87Å; F198-K203 HydrophobicContact CB-CB 4.18Å; F198-L206 HydrophobicContact CD1-CD1 4.17Å; F198-L206 HydrophobicContact CD1-CD2 4.44Å; F198-L206 HydrophobicContact CE1-CD1 4.01Å; F198-L206 HydrophobicContact CE1-CD2 3.83Å; F198-Y222 HydrophobicContact CB-CE2 4.18Å; F198-Y222 HydrophobicContact CD1-CE2 4.27Å; F198-Y222 AromaticContact CD2-CE2 3.71Å; F198-Y222 HydrophobicContact CD2-CE2 3.71Å; F198-Y222 HydrophobicContact CE2-CE2 4.09Å; F198-Y222 AromaticContact CG-CE2 3.8Å; F198-Y222 HydrophobicContact CG-CE2 3.8Å; F198-M225 HydrophobicContact CD1-CE 4.34Å; F198-M225 HydrophobicContact CE1-CE 3.64Å; F198-M225 HydrophobicContact CZ-CE 3.78Å; F198-L229 HydrophobicContact CE2-CD1 3.77Å; F198-L229 HydrophobicContact CZ-CD1 3.9Å; F198-L245 HydrophobicContact CB-CB 4.16Å; F198-L245 WeakPolarHBondContact CD2-O 3.47Å; F198-L245 PolarHBondContact N-O 2.91Å; F198-L245 WeakPolarHBondContact O-CB 3.33Å; F198-L245 VanDerWaalsContact O-CD1 3.29Å; F198-L245 WeakPolarHBondContact O-CD1 3.19Å; F198-Y247 HydrophobicContact CD2-CD2 4.08Å; F198-Y247 HydrophobicContact CD2-CE2 4.14Å; F198-Y247 AromaticContact CE2-CD2 3.75Å; F198-Y247 HydrophobicContact CE2-CD2 3.75Å; F198-Y247 AromaticContact CE2-CE2 3.91Å; F198-Y247 HydrophobicContact CE2-CE2 3.91Å
199	S	98.6	Very high	98.1	Very high	13 Å²	13	60.8 Å²	60.8	9%	0.091	30%	0.299	C	S	.	.			trans	-62.3	131.6	170.6	-174	0	0	0	0	112.2	D184 S185 K201 H202 K203	D184-S199 WeakPolarHBondContact O-CB 3.34Å; D184-S199 PolarHBondContact O-OG 3.32Å; D184-S199 VanDerWaalsContact O-OG 3.04Å; S185-S199 PolarHBondContact O-N 3.43Å; S199-K201 PolarHBondContact O-N 3.4Å; S199-K201 PolarHBondContact OG-N 2.97Å; S199-H202 PolarHBondContact OG-N 2.71Å; S199-H202 VanDerWaalsContact OG-N 3.11Å; S199-K203 WeakPolarHBondContact O-CB 3.33Å; S199-K203 WeakPolarHBondContact O-CG 3.4Å; S199-K203 PolarHBondContact O-N 2.77Å
200	S	98.5	Very high	98.1	Very high	92 Å²	92	58.3 Å²	58.3	64%	0.643	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.5	170.5	-65.5	0	0	0	0	112.2	K203 L245	S200-K203 PolarHBondContact O-NZ 3.3Å; S200-L245 WeakPolarHBondContact OG-CD1 3.17Å
201	K	98.4	Very high	98.1	Very high	170 Å²	170	56.2 Å²	56.2	74%	0.739	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-47.7	-176.2	-171.7	177	173.3	-177	0	112.5	S199	S199-K201 PolarHBondContact O-N 3.4Å; S199-K201 PolarHBondContact OG-N 2.97Å
202	H	98.5	Very high	98.1	Very high	69 Å²	69	55.1 Å²	55.1	32%	0.319	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.6	-168.4	-50	118.8	0	0	0	115.3	D184 S185 S199 E204 A205 L206	D184-H202 PolarHBondContact O-ND1 3.28Å; S185-H202 VanDerWaalsContact OG-CB 3.31Å; S185-H202 WeakPolarHBondContact OG-CB 3.39Å; S185-H202 PolarHBondContact OG-O 3.39Å; S199-H202 PolarHBondContact OG-N 2.71Å; S199-H202 VanDerWaalsContact OG-N 3.11Å; H202-E204 PolarHBondContact O-N 2.8Å; H202-E204 VanDerWaalsContact O-N 3.11Å; H202-A205 WeakPolarHBondContact O-CB 3.4Å; H202-A205 PolarHBondContact O-N 3.33Å; H202-L206 PolarHBondContact O-N 2.83Å
203	K	98.5	Very high	98.1	Very high	47 Å²	47	53.3 Å²	53.3	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-54.7	-30	177.5	62.6	-168	-171.2	-57.7	0	115	F198 S199 S200 A207 Y222 L245	F198-K203 HydrophobicContact CB-CB 4.18Å; S199-K203 WeakPolarHBondContact O-CB 3.33Å; S199-K203 WeakPolarHBondContact O-CG 3.4Å; S199-K203 PolarHBondContact O-N 2.77Å; S200-K203 PolarHBondContact O-NZ 3.3Å; K203-A207 PolarHBondContact O-N 3.06Å; K203-A207 VanDerWaalsContact O-N 3.1Å; K203-Y222 HydrophobicContact CB-CD2 3.72Å; K203-Y222 HydrophobicContact CB-CE2 4.25Å; K203-Y222 HydrophobicContact CB-CG 4.06Å; K203-Y222 HydrophobicContact CD-CD1 3.73Å; K203-Y222 HydrophobicContact CD-CD2 4.1Å; K203-Y222 HydrophobicContact CD-CE1 4.08Å; K203-Y222 HydrophobicContact CD-CE2 4.43Å; K203-Y222 HydrophobicContact CD-CG 3.75Å; K203-Y222 HydrophobicContact CG-CD1 4.4Å; K203-Y222 HydrophobicContact CG-CD2 4.11Å; K203-Y222 HydrophobicContact CG-CG 3.91Å; K203-L245 HydrophobicContact CD-CD1 4.15Å; K203-L245 HydrophobicContact CD-CD2 4.1Å
204	E	98.6	Very high	98.1	Very high	73 Å²	73	50.3 Å²	50.3	34%	0.341	25%	0.251	S	S	.	.	H	α-helix	trans	-71.7	-34.2	178.8	-62.6	-53.2	142.8	0	0	112.3	H202 A207 H208 Y222	H202-E204 PolarHBondContact O-N 2.8Å; H202-E204 VanDerWaalsContact O-N 3.11Å; E204-A207 PolarHBondContact O-N 3.42Å; E204-H208 WeakPolarHBondContact O-CB 3.46Å; E204-H208 PolarHBondContact O-N 3.24Å; E204-Y222 WeakPolarHBondContact OE1-CB 3.37Å; E204-Y222 PolarHBondContact OE2-N 3.1Å
205	A	98.4	Very high	98	Very high	50 Å²	50	53.4 Å²	53.4	41%	0.413	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-42.6	177.1	0	0	0	0	0	110.9	M182 H202 H208 R209	M182-A205 HydrophobicContact CE-CB 4.31Å; H202-A205 WeakPolarHBondContact O-CB 3.4Å; H202-A205 PolarHBondContact O-N 3.33Å; A205-H208 WeakPolarHBondContact O-CB 3.39Å; A205-H208 PolarHBondContact O-N 3.44Å; A205-R209 PolarHBondContact O-N 3.41Å
206	L	98.6	Very high	97.9	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-45.3	174.2	-176.4	157.2	0	0	0	111.7	F172 L173 L176 M182 I186 F198 H202 H208 R209 W210 M225	F172-L206 HydrophobicContact CE1-CD2 4.48Å; L173-L206 HydrophobicContact CD2-CD1 4.41Å; L173-L206 HydrophobicContact CD2-CD2 3.71Å; L176-L206 HydrophobicContact CD1-CD1 4.3Å; L176-L206 HydrophobicContact CD1-CG 4.41Å; M182-L206 HydrophobicContact CE-CB 3.94Å; I186-L206 HydrophobicContact CB-CD1 3.62Å; I186-L206 HydrophobicContact CD1-CD1 4.3Å; I186-L206 HydrophobicContact CG2-CD1 3.48Å; I186-L206 VanDerWaalsContact CG2-CD1 3.48Å; F198-L206 HydrophobicContact CD1-CD1 4.17Å; F198-L206 HydrophobicContact CD1-CD2 4.44Å; F198-L206 HydrophobicContact CE1-CD1 4.01Å; F198-L206 HydrophobicContact CE1-CD2 3.83Å; H202-L206 PolarHBondContact O-N 2.83Å; L206-H208 VanDerWaalsContact C-N 3.27Å; L206-H208 PolarHBondContact O-N 3.37Å; L206-R209 PolarHBondContact O-N 3.4Å; L206-W210 PolarHBondContact O-N 3.04Å; L206-M225 HydrophobicContact CD2-CE 3.74Å; L206-M225 HydrophobicContact CD2-SD 3.67Å
207	A	98.6	Very high	97.8	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-39.9	177.1	0	0	0	0	0	111.5	K203 E204 W210 G211 M220 T221 M225	K203-A207 PolarHBondContact O-N 3.06Å; K203-A207 VanDerWaalsContact O-N 3.1Å; E204-A207 PolarHBondContact O-N 3.42Å; A207-W210 WeakPolarHBondContact O-CB 3.37Å; A207-W210 PolarHBondContact O-N 3.11Å; A207-G211 PolarHBondContact O-N 2.79Å; A207-M220 HydrophobicContact CB-CG 4.28Å; A207-M220 WeakPolarHBondContact O-CB 3.47Å; A207-M220 WeakPolarHBondContact O-CG 3.47Å; A207-T221 VanDerWaalsContact CB-C 3.44Å; A207-M225 HydrophobicContact CB-CE 4.39Å; A207-M225 HydrophobicContact CB-SD 4.2Å
208	H	98.5	Very high	97.8	Very high	86 Å²	86	74.6 Å²	74.6	40%	0.398	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-47.9	174.7	-175.4	-118.3	0	0	0	111.9	E204 A205 L206 W210 G211 I212	E204-H208 WeakPolarHBondContact O-CB 3.46Å; E204-H208 PolarHBondContact O-N 3.24Å; A205-H208 WeakPolarHBondContact O-CB 3.39Å; A205-H208 PolarHBondContact O-N 3.44Å; L206-H208 VanDerWaalsContact C-N 3.27Å; L206-H208 PolarHBondContact O-N 3.37Å; H208-W210 VanDerWaalsContact C-N 3.29Å; H208-W210 PolarHBondContact O-N 3.29Å; H208-G211 WeakPolarHBondContact O-CA 3.38Å; H208-G211 PolarHBondContact O-N 3.29Å; H208-I212 PolarHBondContact O-N 3.04Å
209	R	98.3	Very high	97.7	Very high	99 Å²	99	81.2 Å²	81.2	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-57.4	-41.9	175.9	-170	-179.9	-177.6	-163.5	-0.5	111.7	F172 M182 A205 L206 G211 I212 Q213	F172-R209 HydrophobicContact CZ-CG 4.26Å; M182-R209 HydrophobicContact SD-CB 4.39Å; M182-R209 WeakPolarHBondContact SD-CD 3.41Å; M182-R209 HydrophobicContact SD-CG 4.48Å; M182-R209 PolarHBondContact SD-NH1 2.95Å; A205-R209 PolarHBondContact O-N 3.41Å; L206-R209 PolarHBondContact O-N 3.4Å; R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 2.94Å; R209-I212 PolarHBondContact O-N 3.07Å; R209-Q213 WeakPolarHBondContact O-CB 3.4Å; R209-Q213 PolarHBondContact O-N 3.19Å
210	W	98.3	Very high	97.7	Very high	14 Å²	14	81.9 Å²	81.9	5%	0.053	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-38.5	172.7	172.6	-122.8	0	0	0	112.7	I167 L169 F172 L206 A207 H208 Q213 K214	I167-W210 HydrophobicContact CG2-CH2 4.28Å; I167-W210 HydrophobicContact CG2-CZ3 4Å; L169-W210 HydrophobicContact CB-CH2 4.15Å; L169-W210 HydrophobicContact CB-CZ2 3.62Å; L169-W210 HydrophobicContact CD1-CD2 3.82Å; L169-W210 HydrophobicContact CD1-CE3 4.44Å; L169-W210 HydrophobicContact CD1-CG 3.9Å; L169-W210 HydrophobicContact CD1-CZ2 4.26Å; F172-W210 HydrophobicContact CB-CE3 3.78Å; F172-W210 HydrophobicContact CB-CH2 4.38Å; F172-W210 HydrophobicContact CB-CZ3 3.5Å; F172-W210 HydrophobicContact CD1-CB 4.21Å; F172-W210 HydrophobicContact CD1-CD2 4.11Å; F172-W210 AromaticContact CD1-CE3 3.48Å; F172-W210 HydrophobicContact CD1-CE3 3.48Å; F172-W210 VanDerWaalsContact CD1-CE3 3.48Å; F172-W210 HydrophobicContact CD1-CG 4.43Å; F172-W210 HydrophobicContact CD1-CZ3 4.14Å; F172-W210 AromaticContact CD2-CE3 4Å; F172-W210 HydrophobicContact CD2-CE3 4Å; F172-W210 HydrophobicContact CD2-CZ3 4.28Å; F172-W210 HydrophobicContact CE1-CB 3.7Å; F172-W210 HydrophobicContact CE1-CD2 4.45Å; F172-W210 AromaticContact CE1-CE3 4Å; F172-W210 HydrophobicContact CE1-CE3 4Å; F172-W210 HydrophobicContact CE1-CG 4.39Å; F172-W210 HydrophobicContact CE2-CE3 4.45Å; F172-W210 HydrophobicContact CG-CD2 4.49Å; F172-W210 AromaticContact CG-CE3 3.47Å; F172-W210 HydrophobicContact CG-CE3 3.47Å; F172-W210 VanDerWaalsContact CG-CE3 3.47Å; F172-W210 AromaticContact CG-CZ3 3.73Å; F172-W210 HydrophobicContact CG-CZ3 3.73Å; F172-W210 HydrophobicContact CZ-CB 4.25Å; F172-W210 HydrophobicContact CZ-CE3 4.44Å; L206-W210 PolarHBondContact O-N 3.04Å; A207-W210 WeakPolarHBondContact O-CB 3.37Å; A207-W210 PolarHBondContact O-N 3.11Å; H208-W210 VanDerWaalsContact C-N 3.29Å; H208-W210 PolarHBondContact O-N 3.29Å; W210-Q213 HydrophobicContact CE3-CB 4.11Å; W210-Q213 HydrophobicContact CE3-CG 4.23Å; W210-Q213 HydrophobicContact CZ3-CG 4.23Å; W210-Q213 PolarHBondContact O-N 3.21Å; W210-K214 HydrophobicContact CD2-CG 3.9Å; W210-K214 HydrophobicContact CE3-CD 4.49Å; W210-K214 HydrophobicContact CE3-CG 3.96Å; W210-K214 HydrophobicContact CH2-CD 3.41Å; W210-K214 VanDerWaalsContact CH2-CD 3.41Å; W210-K214 HydrophobicContact CH2-CG 3.54Å; W210-K214 HydrophobicContact CZ2-CD 3.7Å; W210-K214 HydrophobicContact CZ2-CG 3.41Å; W210-K214 VanDerWaalsContact CZ2-CG 3.41Å; W210-K214 HydrophobicContact CZ3-CD 3.83Å; W210-K214 HydrophobicContact CZ3-CG 3.78Å; W210-K214 PolarHBondContact O-N 3.11Å; W210-K214 VanDerWaalsContact O-N 3.1Å
211	G	97.9	Very high	97.7	Very high	5 Å²	5	79.3 Å²	79.3	5%	0.052	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-45.1	175.6	0	0	0	0	0	113	A207 H208 R209 K214 G215 N216 M220	A207-G211 PolarHBondContact O-N 2.79Å; H208-G211 WeakPolarHBondContact O-CA 3.38Å; H208-G211 PolarHBondContact O-N 3.29Å; R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 2.94Å; G211-K214 PolarHBondContact O-N 3.06Å; G211-G215 PolarHBondContact O-N 3.34Å; G211-N216 PolarHBondContact O-N 3.05Å; G211-M220 VanDerWaalsContact CA-CB 3.48Å
212	I	97	Very high	97.7	Very high	113 Å²	113	72.3 Å²	72.3	58%	0.579	35%	0.349	S	S	*	.	H	α-helix	trans	-63.4	-47.5	175.4	-63.1	168.2	0	0	0	110.1	H208 R209 K214 G215	H208-I212 PolarHBondContact O-N 3.04Å; R209-I212 PolarHBondContact O-N 3.07Å; I212-K214 PolarHBondContact O-N 3.49Å; I212-G215 PolarHBondContact O-N 3.41Å
213	Q	95.3	Very high	97.7	Very high	107 Å²	107	76.3 Å²	76.3	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-55.1	-29.8	177.3	-170.5	68.1	6.1	0	0	112.8	I167 F172 R209 W210	I167-Q213 HydrophobicContact CG2-CG 4.26Å; F172-Q213 HydrophobicContact CD2-CG 4.14Å; F172-Q213 HydrophobicContact CE2-CB 4.4Å; F172-Q213 HydrophobicContact CE2-CG 4.24Å; R209-Q213 WeakPolarHBondContact O-CB 3.4Å; R209-Q213 PolarHBondContact O-N 3.19Å; W210-Q213 HydrophobicContact CE3-CB 4.11Å; W210-Q213 HydrophobicContact CE3-CG 4.23Å; W210-Q213 HydrophobicContact CZ3-CG 4.23Å; W210-Q213 PolarHBondContact O-N 3.21Å
214	K	95.1	Very high	97.7	Very high	65 Å²	65	79 Å²	79	28%	0.283	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.6	178.4	-66.7	-59.3	-71.6	-104.4	0	115	I167 W210 G211 I212 N216	I167-K214 HydrophobicContact CG2-CD 4.33Å; I167-K214 PolarHBondContact O-NZ 2.87Å; W210-K214 HydrophobicContact CD2-CG 3.9Å; W210-K214 HydrophobicContact CE3-CD 4.49Å; W210-K214 HydrophobicContact CE3-CG 3.96Å; W210-K214 HydrophobicContact CH2-CD 3.41Å; W210-K214 VanDerWaalsContact CH2-CD 3.41Å; W210-K214 HydrophobicContact CH2-CG 3.54Å; W210-K214 HydrophobicContact CZ2-CD 3.7Å; W210-K214 HydrophobicContact CZ2-CG 3.41Å; W210-K214 VanDerWaalsContact CZ2-CG 3.41Å; W210-K214 HydrophobicContact CZ3-CD 3.83Å; W210-K214 HydrophobicContact CZ3-CG 3.78Å; W210-K214 PolarHBondContact O-N 3.11Å; W210-K214 VanDerWaalsContact O-N 3.1Å; G211-K214 PolarHBondContact O-N 3.06Å; I212-K214 PolarHBondContact O-N 3.49Å; K214-N216 VanDerWaalsContact C-N 3.26Å; K214-N216 PolarHBondContact O-N 3.29Å
215	G	95.9	Very high	97.7	Very high	64 Å²	64	75.6 Å²	75.6	66%	0.66	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	33.9	-176.1	0	0	0	0	0	112.6	G211 I212 R217	G211-G215 PolarHBondContact O-N 3.34Å; I212-G215 PolarHBondContact O-N 3.41Å; G215-R217 PolarHBondContact O-N 2.82Å
216	N	96	Very high	97.8	Very high	70 Å²	70	73.4 Å²	73.4	37%	0.374	35%	0.346	S	S	.	.			trans	-69.4	124.7	-179	-69.6	-25.9	0	0	0	110.4	G211 K214 K218 M220	G211-N216 PolarHBondContact O-N 3.05Å; K214-N216 VanDerWaalsContact C-N 3.26Å; K214-N216 PolarHBondContact O-N 3.29Å; N216-K218 WeakPolarHBondContact CB-O 3.31Å; N216-K218 PolarHBondContact O-N 3.03Å; N216-M220 WeakPolarHBondContact ND2-CE 3.04Å
217	R	97.1	Very high	97.8	Very high	260 Å²	260	81 Å²	81	98%	0.981	37%	0.374	S	S	*	.	S	Bend	trans	-60.2	-32.6	174.2	-61.7	-176.3	-176.4	172.6	0.2	113.2	G215	G215-R217 PolarHBondContact O-N 2.82Å
218	K	97.9	Very high	97.7	Very high	169 Å²	169	82.5 Å²	82.5	74%	0.735	39%	0.387	S	S	*	.	S	Bend	trans	-103.8	146.2	177.7	-65.6	-173.6	179.6	-177.9	0	110.3	N216 M220	N216-K218 WeakPolarHBondContact CB-O 3.31Å; N216-K218 PolarHBondContact O-N 3.03Å; K218-M220 PolarHBondContact O-N 2.74Å
219	K	97.6	Very high	97.7	Very high	139 Å²	139	78.5 Å²	78.5	60%	0.604	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-51.4	125.5	174.5	-174.2	170.1	-176	175.6	0	111.5	K224	K219-K224 PolarHBondContact O-NZ 3.02Å; K219-K224 VanDerWaalsContact O-NZ 3.16Å
220	M	98.6	Very high	97.7	Very high	27 Å²	27	79.7 Å²	79.7	13%	0.133	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-78.6	132.7	167.2	178.6	61.5	67.2	0	0	108.8	A207 G211 N216 K218 K224 M225	A207-M220 HydrophobicContact CB-CG 4.28Å; A207-M220 WeakPolarHBondContact O-CB 3.47Å; A207-M220 WeakPolarHBondContact O-CG 3.47Å; G211-M220 VanDerWaalsContact CA-CB 3.48Å; N216-M220 WeakPolarHBondContact ND2-CE 3.04Å; K218-M220 PolarHBondContact O-N 2.74Å; M220-K224 HydrophobicContact SD-CB 3.75Å; M220-M225 HydrophobicContact SD-CB 4.12Å
221	T	98.8	Very high	97.7	Very high	39 Å²	39	82.9 Å²	82.9	24%	0.239	39%	0.391	C	S	.	.			trans	-120.7	158.3	179	64.8	0	0	0	0	109.4	A207 Q223 K224 M225	A207-T221 VanDerWaalsContact CB-C 3.44Å; T221-Q223 PolarHBondContact O-N 3.35Å; T221-K224 PolarHBondContact O-N 3.35Å; T221-K224 VanDerWaalsContact O-N 3.12Å; T221-K224 PolarHBondContact OG1-N 2.96Å; T221-M225 PolarHBondContact O-N 3.41Å
222	Y	98.8	Very high	97.7	Very high	23 Å²	23	84.4 Å²	84.4	9%	0.09	40%	0.396	C	S	.	.	H	α-helix	trans	-57	-37.5	177.8	178.6	-102.1	0	0	0	111.6	F198 K203 E204 K224 M225 A226 L245	F198-Y222 HydrophobicContact CB-CE2 4.18Å; F198-Y222 HydrophobicContact CD1-CE2 4.27Å; F198-Y222 AromaticContact CD2-CE2 3.71Å; F198-Y222 HydrophobicContact CD2-CE2 3.71Å; F198-Y222 HydrophobicContact CE2-CE2 4.09Å; F198-Y222 AromaticContact CG-CE2 3.8Å; F198-Y222 HydrophobicContact CG-CE2 3.8Å; K203-Y222 HydrophobicContact CB-CD2 3.72Å; K203-Y222 HydrophobicContact CB-CE2 4.25Å; K203-Y222 HydrophobicContact CB-CG 4.06Å; K203-Y222 HydrophobicContact CD-CD1 3.73Å; K203-Y222 HydrophobicContact CD-CD2 4.1Å; K203-Y222 HydrophobicContact CD-CE1 4.08Å; K203-Y222 HydrophobicContact CD-CE2 4.43Å; K203-Y222 HydrophobicContact CD-CG 3.75Å; K203-Y222 HydrophobicContact CG-CD1 4.4Å; K203-Y222 HydrophobicContact CG-CD2 4.11Å; K203-Y222 HydrophobicContact CG-CG 3.91Å; E204-Y222 WeakPolarHBondContact OE1-CB 3.37Å; E204-Y222 PolarHBondContact OE2-N 3.1Å; Y222-K224 PolarHBondContact O-N 2.92Å; Y222-M225 HydrophobicContact CD2-CE 3.56Å; Y222-M225 HydrophobicContact CE2-CE 3.91Å; Y222-M225 PolarHBondContact O-N 3.24Å; Y222-A226 HydrophobicContact CE1-CB 4.14Å; Y222-A226 WeakPolarHBondContact O-CB 3.49Å; Y222-A226 PolarHBondContact O-N 3.05Å; Y222-L245 HydrophobicContact CE1-CD2 3.55Å; Y222-L245 VanDerWaalsContact OH-CD2 3.23Å; Y222-L245 WeakPolarHBondContact OH-CD2 3.21Å
223	Q	98.8	Very high	97.5	Very high	152 Å²	152	81.3 Å²	81.3	71%	0.71	39%	0.391	S	S	*	.	H	α-helix	trans	-57.9	-45.8	177.4	-174.9	-170.5	-44.5	0	0	112.6	T221 R227	T221-Q223 PolarHBondContact O-N 3.35Å; Q223-R227 PolarHBondContact O-N 3.39Å; Q223-R227 VanDerWaalsContact O-N 3.1Å
224	K	98.6	Very high	97.5	Very high	105 Å²	105	85.2 Å²	85.2	46%	0.457	41%	0.407	S	S	.	.	H	α-helix	trans	-68.1	-43.7	178.3	-69	177.1	-174.7	171.6	0	111	K219 M220 T221 Y222 A226 R227 A228	K219-K224 PolarHBondContact O-NZ 3.02Å; K219-K224 VanDerWaalsContact O-NZ 3.16Å; M220-K224 HydrophobicContact SD-CB 3.75Å; T221-K224 PolarHBondContact O-N 3.35Å; T221-K224 VanDerWaalsContact O-N 3.12Å; T221-K224 PolarHBondContact OG1-N 2.96Å; Y222-K224 PolarHBondContact O-N 2.92Å; K224-A226 PolarHBondContact O-N 2.93Å; K224-R227 WeakPolarHBondContact O-CB 3.29Å; K224-R227 PolarHBondContact O-N 3.29Å; K224-A228 PolarHBondContact O-N 2.87Å
225	M	98.7	Very high	97.5	Very high	1 Å²	1	86.7 Å²	86.7	1%	0.005	42%	0.421	C	S	.	.	H	α-helix	trans	-62	-43.3	176.6	-172.3	-178.8	73.8	0	0	111.6	L169 F198 L206 A207 M220 T221 Y222 R227 A228 L229	L169-M225 HydrophobicContact CD1-CG 3.77Å; L169-M225 HydrophobicContact CD1-SD 3.89Å; L169-M225 HydrophobicContact CD2-CG 3.53Å; L169-M225 HydrophobicContact CG-CG 4.3Å; F198-M225 HydrophobicContact CD1-CE 4.34Å; F198-M225 HydrophobicContact CE1-CE 3.64Å; F198-M225 HydrophobicContact CZ-CE 3.78Å; L206-M225 HydrophobicContact CD2-CE 3.74Å; L206-M225 HydrophobicContact CD2-SD 3.67Å; A207-M225 HydrophobicContact CB-CE 4.39Å; A207-M225 HydrophobicContact CB-SD 4.2Å; M220-M225 HydrophobicContact SD-CB 4.12Å; T221-M225 PolarHBondContact O-N 3.41Å; Y222-M225 HydrophobicContact CD2-CE 3.56Å; Y222-M225 HydrophobicContact CE2-CE 3.91Å; Y222-M225 PolarHBondContact O-N 3.24Å; M225-R227 VanDerWaalsContact C-N 3.26Å; M225-R227 PolarHBondContact O-N 2.96Å; M225-A228 WeakPolarHBondContact O-CA 3.16Å; M225-A228 WeakPolarHBondContact O-CB 3.42Å; M225-A228 PolarHBondContact O-N 3.33Å; M225-L229 PolarHBondContact O-N 3.39Å
226	A	98.6	Very high	97.5	Very high	4 Å²	4	84.7 Å²	84.7	3%	0.033	40%	0.4	C	S	.	.	H	α-helix	trans	-62.8	-32.3	176.2	0	0	0	0	0	112.1	Y222 K224 L229 R230	Y222-A226 HydrophobicContact CE1-CB 4.14Å; Y222-A226 WeakPolarHBondContact O-CB 3.49Å; Y222-A226 PolarHBondContact O-N 3.05Å; K224-A226 PolarHBondContact O-N 2.93Å; A226-L229 PolarHBondContact O-N 2.89Å; A226-R230 WeakPolarHBondContact O-CG 3.39Å; A226-R230 PolarHBondContact O-N 3.37Å
227	R	98.6	Very high	97.6	Very high	158 Å²	158	83 Å²	83	60%	0.596	39%	0.391	S	S	*	.	H	α-helix	trans	-62.4	-44.5	170.7	179.3	59.9	-179.7	-129	3.1	111.4	Q223 K224 M225 R230 N231	Q223-R227 PolarHBondContact O-N 3.39Å; Q223-R227 VanDerWaalsContact O-N 3.1Å; K224-R227 WeakPolarHBondContact O-CB 3.29Å; K224-R227 PolarHBondContact O-N 3.29Å; M225-R227 VanDerWaalsContact C-N 3.26Å; M225-R227 PolarHBondContact O-N 2.96Å; R227-R230 PolarHBondContact O-N 2.98Å; R227-N231 PolarHBondContact O-N 3.32Å
228	A	97.9	Very high	97.7	Very high	33 Å²	33	70.7 Å²	70.7	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-41	175.4	0	0	0	0	0	111.9	L169 K224 M225 R230 N231 Y232	L169-A228 HydrophobicContact CD2-CB 3.88Å; K224-A228 PolarHBondContact O-N 2.87Å; M225-A228 WeakPolarHBondContact O-CA 3.16Å; M225-A228 WeakPolarHBondContact O-CB 3.42Å; M225-A228 PolarHBondContact O-N 3.33Å; A228-R230 VanDerWaalsContact C-N 3.3Å; A228-R230 PolarHBondContact O-N 3.17Å; A228-N231 WeakPolarHBondContact O-CB 3.41Å; A228-N231 PolarHBondContact O-N 3.1Å; A228-Y232 PolarHBondContact O-N 3.01Å
229	L	98.5	Very high	97.7	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-37.5	175.5	-68.9	176	0	0	0	113.1	L169 L173 F198 M225 A226 N231 Y232 V238 Y247	L169-L229 HydrophobicContact CD2-CD2 3.74Å; L169-L229 HydrophobicContact CD2-CG 3.86Å; L169-L229 HydrophobicContact CG-CD2 4.13Å; L173-L229 HydrophobicContact CD1-CD1 4.36Å; L173-L229 HydrophobicContact CD1-CD2 3.74Å; F198-L229 HydrophobicContact CE2-CD1 3.77Å; F198-L229 HydrophobicContact CZ-CD1 3.9Å; M225-L229 PolarHBondContact O-N 3.39Å; A226-L229 PolarHBondContact O-N 2.89Å; L229-N231 VanDerWaalsContact C-N 3.26Å; L229-N231 PolarHBondContact O-N 2.91Å; L229-Y232 HydrophobicContact CD2-CD2 4.19Å; L229-Y232 HydrophobicContact CD2-CE2 4.47Å; L229-Y232 PolarHBondContact O-N 2.74Å; L229-V238 HydrophobicContact CD2-CG1 4.44Å; L229-Y247 HydrophobicContact CB-CD1 4.34Å; L229-Y247 HydrophobicContact CB-CE1 3.85Å; L229-Y247 HydrophobicContact CD1-CD1 4.47Å; L229-Y247 HydrophobicContact CD1-CD2 4.29Å; L229-Y247 HydrophobicContact CD1-CE1 4.19Å; L229-Y247 HydrophobicContact CD1-CE2 4.03Å
230	R	98.2	Very high	97.7	Very high	123 Å²	123	66.5 Å²	66.5	46%	0.464	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-31.8	175.1	-72.5	-175.7	-64.2	-98.3	6	112.4	A226 R227 A228 Y232 G233	A226-R230 WeakPolarHBondContact O-CG 3.39Å; A226-R230 PolarHBondContact O-N 3.37Å; R227-R230 PolarHBondContact O-N 2.98Å; A228-R230 VanDerWaalsContact C-N 3.3Å; A228-R230 PolarHBondContact O-N 3.17Å; R230-Y232 VanDerWaalsContact C-N 3.26Å; R230-Y232 PolarHBondContact O-N 3.48Å; R230-G233 PolarHBondContact O-N 3.04Å; R230-G233 VanDerWaalsContact O-N 3.14Å
231	N	97.9	Very high	97.7	Very high	81 Å²	81	67.3 Å²	67.3	43%	0.433	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-31.2	177	-64.7	-16.9	0	0	0	111.8	R227 A228 L229 G233 K234	R227-N231 PolarHBondContact O-N 3.32Å; A228-N231 WeakPolarHBondContact O-CB 3.41Å; A228-N231 PolarHBondContact O-N 3.1Å; L229-N231 VanDerWaalsContact C-N 3.26Å; L229-N231 PolarHBondContact O-N 2.91Å; N231-G233 PolarHBondContact O-N 3.21Å; N231-K234 WeakPolarHBondContact O-CB 3.36Å; N231-K234 PolarHBondContact O-N 3.18Å; N231-K234 VanDerWaalsContact O-N 3.16Å
232	Y	97.7	Very high	97.6	Very high	38 Å²	38	76.1 Å²	76.1	15%	0.149	37%	0.367	C	S	.	.	H	α-helix	trans	-67.7	-13.4	174.7	-65.9	-52.2	0	0	0	114.1	L169 Y170 A228 L229 R230 K234 T235 G236 V238	L169-Y232 HydrophobicContact CB-CE2 4.08Å; L169-Y232 HydrophobicContact CD2-CE2 4.49Å; L169-Y232 PolarHBondContact N-OH 3.04Å; Y170-Y232 AromaticContact CD1-CE1 3.97Å; Y170-Y232 HydrophobicContact CD1-CE1 3.97Å; Y170-Y232 HydrophobicContact CD1-CE2 4.35Å; Y170-Y232 AromaticContact CD1-CZ 3.89Å; A228-Y232 PolarHBondContact O-N 3.01Å; L229-Y232 HydrophobicContact CD2-CD2 4.19Å; L229-Y232 HydrophobicContact CD2-CE2 4.47Å; L229-Y232 PolarHBondContact O-N 2.74Å; R230-Y232 VanDerWaalsContact C-N 3.26Å; R230-Y232 PolarHBondContact O-N 3.48Å; Y232-K234 PolarHBondContact O-N 3.31Å; Y232-T235 WeakPolarHBondContact CA-OG1 3.49Å; Y232-T235 PolarHBondContact O-N 3Å; Y232-T235 PolarHBondContact O-OG1 3.43Å; Y232-G236 PolarHBondContact O-N 3.33Å; Y232-V238 CarbonylContact C-O 3.58Å; Y232-V238 VanDerWaalsContact C-O 3.28Å; Y232-V238 HydrophobicContact CD2-CB 4.45Å; Y232-V238 HydrophobicContact CD2-CG2 4.19Å; Y232-V238 HydrophobicContact CG-CG2 4.48Å
233	G	93.8	Very high	97.6	Very high	47 Å²	47	80.3 Å²	80.3	49%	0.485	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-24.3	171.2	0	0	0	0	0	112.8	R230 N231 V238	R230-G233 PolarHBondContact O-N 3.04Å; R230-G233 VanDerWaalsContact O-N 3.14Å; N231-G233 PolarHBondContact O-N 3.21Å; G233-V238 WeakPolarHBondContact CA-O 3.23Å; G233-V238 PolarHBondContact N-O 3.33Å
234	K	94.9	Very high	97.5	Very high	190 Å²	190	82 Å²	82	83%	0.826	39%	0.391	S	S	*	.	H	α-helix	trans	-79.7	-41.6	177	-59.6	-175.6	177.1	-170.7	0	112.4	N231 Y232	N231-K234 WeakPolarHBondContact O-CB 3.36Å; N231-K234 PolarHBondContact O-N 3.18Å; N231-K234 VanDerWaalsContact O-N 3.16Å; Y232-K234 PolarHBondContact O-N 3.31Å
235	T	95.6	Very high	97.5	Very high	95 Å²	95	78.4 Å²	78.4	58%	0.583	38%	0.376	S	S	*	.	H	α-helix	trans	-87	-18.9	-176.8	45	0	0	0	0	112.4	Y232 E237	Y232-T235 WeakPolarHBondContact CA-OG1 3.49Å; Y232-T235 PolarHBondContact O-N 3Å; Y232-T235 PolarHBondContact O-OG1 3.43Å; T235-E237 VanDerWaalsContact C-OE2 3.27Å; T235-E237 WeakPolarHBondContact CB-OE2 3.46Å; T235-E237 PolarHBondContact OG1-OE2 3.1Å
236	G	96	Very high	97.5	Very high	22 Å²	22	78.4 Å²	78.4	23%	0.227	38%	0.376	C	S	.	.	S	Bend	trans	98.6	-12.3	167.4	0	0	0	0	0	115	Y232 V238 S250	Y232-G236 PolarHBondContact O-N 3.33Å; G236-V238 VanDerWaalsContact C-N 3.28Å; G236-V238 PolarHBondContact O-N 3.31Å; G236-S250 VanDerWaalsContact O-CB 3.27Å; G236-S250 WeakPolarHBondContact O-CB 3.37Å
237	E	97.6	Very high	97.5	Very high	36 Å²	36	78.5 Å²	78.5	17%	0.168	38%	0.376	C	S	.	.	S	Bend	trans	-63.2	-35.3	-176.3	-60.5	93.8	147.8	0	0	112.4	Y170 T235 F249 S250 V253	Y170-E237 HydrophobicContact CD1-CB 4.25Å; Y170-E237 HydrophobicContact CD1-CG 4.29Å; Y170-E237 HydrophobicContact CD2-CB 4.44Å; Y170-E237 HydrophobicContact CE1-CB 4.45Å; Y170-E237 HydrophobicContact CE1-CG 4.02Å; Y170-E237 HydrophobicContact CG-CB 4.25Å; T235-E237 VanDerWaalsContact C-OE2 3.27Å; T235-E237 WeakPolarHBondContact CB-OE2 3.46Å; T235-E237 PolarHBondContact OG1-OE2 3.1Å; E237-F249 WeakPolarHBondContact O-CA 3.39Å; E237-S250 PolarHBondContact O-N 3.41Å; E237-V253 HydrophobicContact CB-CG2 3.67Å; E237-V253 HydrophobicContact CG-CG2 3.89Å
238	V	98.3	Very high	97.5	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.5	179.6	-173.5	0	0	0	0	110.1	F196 L229 Y232 G233 G236 Y247 Q248 F249	F196-V238 HydrophobicContact CE1-CG1 4.45Å; F196-V238 HydrophobicContact CZ-CG1 4.27Å; L229-V238 HydrophobicContact CD2-CG1 4.44Å; Y232-V238 CarbonylContact C-O 3.58Å; Y232-V238 VanDerWaalsContact C-O 3.28Å; Y232-V238 HydrophobicContact CD2-CB 4.45Å; Y232-V238 HydrophobicContact CD2-CG2 4.19Å; Y232-V238 HydrophobicContact CG-CG2 4.48Å; G233-V238 WeakPolarHBondContact CA-O 3.23Å; G233-V238 PolarHBondContact N-O 3.33Å; G236-V238 VanDerWaalsContact C-N 3.28Å; G236-V238 PolarHBondContact O-N 3.31Å; V238-Y247 HydrophobicContact CG1-CD1 4.04Å; V238-Y247 HydrophobicContact CG1-CG 4.35Å; V238-Q248 CarbonylContact C-O 3.56Å; V238-Q248 WeakPolarHBondContact CA-O 3.49Å; V238-F249 HydrophobicContact CG2-CD1 3.79Å; V238-F249 HydrophobicContact CG2-CE1 3.87Å
239	K	98.1	Very high	97.6	Very high	116 Å²	116	72.5 Å²	72.5	50%	0.504	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141	176.2	-64.5	-178.9	-179.1	179.4	0	110.7	Y247 Q248	K239-Y247 WeakPolarHBondContact O-CA 3.43Å; K239-Q248 PolarHBondContact N-O 2.88Å; K239-Q248 PolarHBondContact O-N 3.28Å
240	K	97.9	Very high	97.5	Very high	105 Å²	105	73.4 Å²	73.4	46%	0.457	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126	173.8	177.6	62.5	-166.3	147.9	0	109.3	K243 T246 Y247	K240-K243 PolarHBondContact NZ-O 2.91Å; K240-T246 PolarHBondContact NZ-O 3.49Å; K240-Y247 HydrophobicContact CB-CD1 4.4Å; K240-Y247 HydrophobicContact CB-CE1 4.31Å; K240-Y247 HydrophobicContact CD-CD1 3.9Å; K240-Y247 HydrophobicContact CD-CE1 3.46Å; K240-Y247 VanDerWaalsContact CD-CE1 3.46Å; K240-Y247 HydrophobicContact CD-CE2 4.44Å; K240-Y247 HydrophobicContact CG-CE1 4.45Å
241	V	98.2	Very high	97.3	Very high	43 Å²	43	68.8 Å²	68.8	26%	0.261	35%	0.346	S	S	.	.			trans	-90	144.6	172.8	-179.8	0	0	0	0	109.2	T195 K243 T246 Q248	T195-V241 HydrophobicContact CG2-CG2 4.47Å; V241-K243 HydrophobicContact CG1-CB 4.12Å; V241-K243 PolarHBondContact O-N 2.78Å; V241-T246 HydrophobicContact CB-CG2 3.94Å; V241-T246 HydrophobicContact CG1-CG2 4.12Å; V241-T246 HydrophobicContact CG2-CG2 4.22Å; V241-T246 PolarHBondContact N-O 3.12Å; V241-Q248 HydrophobicContact CG2-CB 3.86Å
242	K	97.3	Very high	97.1	Very high	224 Å²	224	72.8 Å²	72.8	97%	0.974	36%	0.362	S	S	*	.	S	Bend	trans	-71.2	46.7	173.9	-162.3	-178.1	178.2	-179.7	0	111.9
243	K	98	Very high	96.9	Very high	112 Å²	112	72.1 Å²	72.1	49%	0.487	36%	0.362	S	S	.	.	S	Bend	trans	-139	143.4	174.3	-174.3	177.6	-175.2	178.4	0	108.4	K240 V241 L245 T246	K240-K243 PolarHBondContact NZ-O 2.91Å; V241-K243 HydrophobicContact CG1-CB 4.12Å; V241-K243 PolarHBondContact O-N 2.78Å; K243-L245 PolarHBondContact O-N 3.23Å; K243-T246 HydrophobicContact CB-CG2 4.35Å; K243-T246 HydrophobicContact CD-CG2 4.43Å; K243-T246 WeakPolarHBondContact CG-OG1 2.99Å; K243-T246 PolarHBondContact O-N 3.16Å
244	K	98.1	Very high	96.9	Very high	187 Å²	187	71.3 Å²	71.3	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	136.2	179.8	-84.5	-174.9	160.8	178	0	110.3	Q197 T246	Q197-K244 PolarHBondContact NE2-O 2.98Å; K244-T246 PolarHBondContact O-N 3.4Å; K244-T246 PolarHBondContact O-OG1 3.22Å
245	L	98.5	Very high	96.5	Very high	29 Å²	29	65.3 Å²	65.3	15%	0.152	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	15.8	175.6	-52.8	-178.5	0	0	0	115.6	Q197 F198 S200 K203 Y222 K243	Q197-L245 WeakPolarHBondContact CA-O 3.47Å; Q197-L245 HydrophobicContact CG-CB 4.31Å; F198-L245 HydrophobicContact CB-CB 4.16Å; F198-L245 WeakPolarHBondContact CD2-O 3.47Å; F198-L245 PolarHBondContact N-O 2.91Å; F198-L245 WeakPolarHBondContact O-CB 3.33Å; F198-L245 VanDerWaalsContact O-CD1 3.29Å; F198-L245 WeakPolarHBondContact O-CD1 3.19Å; S200-L245 WeakPolarHBondContact OG-CD1 3.17Å; K203-L245 HydrophobicContact CD-CD1 4.15Å; K203-L245 HydrophobicContact CD-CD2 4.1Å; Y222-L245 HydrophobicContact CE1-CD2 3.55Å; Y222-L245 VanDerWaalsContact OH-CD2 3.23Å; Y222-L245 WeakPolarHBondContact OH-CD2 3.21Å; K243-L245 PolarHBondContact O-N 3.23Å
246	T	98.8	Very high	95.3	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.4	-172.1	-51	0	0	0	0	110.5	T195 F196 Q197 K240 V241 K243 K244	T195-T246 HydrophobicContact CG2-CG2 3.62Å; F196-T246 WeakPolarHBondContact O-CA 3.38Å; F196-T246 WeakPolarHBondContact O-CG2 3.45Å; Q197-T246 PolarHBondContact NE2-OG1 3.45Å; K240-T246 PolarHBondContact NZ-O 3.49Å; V241-T246 HydrophobicContact CB-CG2 3.94Å; V241-T246 HydrophobicContact CG1-CG2 4.12Å; V241-T246 HydrophobicContact CG2-CG2 4.22Å; V241-T246 PolarHBondContact N-O 3.12Å; K243-T246 HydrophobicContact CB-CG2 4.35Å; K243-T246 HydrophobicContact CD-CG2 4.43Å; K243-T246 WeakPolarHBondContact CG-OG1 2.99Å; K243-T246 PolarHBondContact O-N 3.16Å; K244-T246 PolarHBondContact O-N 3.4Å; K244-T246 PolarHBondContact O-OG1 3.22Å
247	Y	98.8	Very high	93.3	Very high	7 Å²	7	67.9 Å²	67.9	3%	0.027	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	165.1	-179.5	-65.7	-94.7	0	0	0	109.3	T195 F196 F198 L229 V238 K239 K240	T195-Y247 WeakPolarHBondContact CA-O 3.39Å; F196-Y247 HydrophobicContact CE2-CD2 4.39Å; F196-Y247 HydrophobicContact CE2-CG 4.44Å; F196-Y247 VanDerWaalsContact CZ-CB 3.44Å; F196-Y247 HydrophobicContact CZ-CG 4.32Å; F196-Y247 PolarHBondContact N-O 3.13Å; F196-Y247 PolarHBondContact O-N 3.09Å; F196-Y247 VanDerWaalsContact O-O 3.1Å; F198-Y247 HydrophobicContact CD2-CD2 4.08Å; F198-Y247 HydrophobicContact CD2-CE2 4.14Å; F198-Y247 AromaticContact CE2-CD2 3.75Å; F198-Y247 HydrophobicContact CE2-CD2 3.75Å; F198-Y247 AromaticContact CE2-CE2 3.91Å; F198-Y247 HydrophobicContact CE2-CE2 3.91Å; L229-Y247 HydrophobicContact CB-CD1 4.34Å; L229-Y247 HydrophobicContact CB-CE1 3.85Å; L229-Y247 HydrophobicContact CD1-CD1 4.47Å; L229-Y247 HydrophobicContact CD1-CD2 4.29Å; L229-Y247 HydrophobicContact CD1-CE1 4.19Å; L229-Y247 HydrophobicContact CD1-CE2 4.03Å; V238-Y247 HydrophobicContact CG1-CD1 4.04Å; V238-Y247 HydrophobicContact CG1-CG 4.35Å; K239-Y247 WeakPolarHBondContact O-CA 3.43Å; K240-Y247 HydrophobicContact CB-CD1 4.4Å; K240-Y247 HydrophobicContact CB-CE1 4.31Å; K240-Y247 HydrophobicContact CD-CD1 3.9Å; K240-Y247 HydrophobicContact CD-CE1 3.46Å; K240-Y247 VanDerWaalsContact CD-CE1 3.46Å; K240-Y247 HydrophobicContact CD-CE2 4.44Å; K240-Y247 HydrophobicContact CG-CE1 4.45Å
248	Q	98.6	Very high	91	Very high	61 Å²	61	72.6 Å²	72.6	29%	0.285	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.5	-178.9	-179.5	177.2	79.2	0	0	110.2	K193 G194 T195 V238 K239 V241	K193-Q248 WeakPolarHBondContact O-CG 3.36Å; G194-Q248 CarbonylContact O-C 3.6Å; G194-Q248 WeakPolarHBondContact O-CA 3.38Å; T195-Q248 PolarHBondContact OG1-NE2 3.35Å; V238-Q248 CarbonylContact C-O 3.56Å; V238-Q248 WeakPolarHBondContact CA-O 3.49Å; K239-Q248 PolarHBondContact N-O 2.88Å; K239-Q248 PolarHBondContact O-N 3.28Å; V241-Q248 HydrophobicContact CG2-CB 3.86Å
249	F	98.5	Very high	88.7	Confident	3 Å²	3	79.7 Å²	79.7	1%	0.013	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.1	170.6	-67.5	-67.7	0	0	0	111.2	L173 L174 L177 W188 G194 F196 E237 V238 V253 M254	L173-F249 HydrophobicContact CB-CZ 4.18Å; L174-F249 HydrophobicContact CB-CE1 4.4Å; L174-F249 HydrophobicContact CB-CE2 4.35Å; L174-F249 HydrophobicContact CB-CZ 3.95Å; L174-F249 HydrophobicContact CD1-CD2 4.15Å; L174-F249 HydrophobicContact CD1-CE2 3.92Å; L174-F249 HydrophobicContact CD1-CZ 4.35Å; L177-F249 HydrophobicContact CD1-CE2 3.73Å; L177-F249 HydrophobicContact CD1-CZ 4.32Å; W188-F249 AromaticContact CH2-CD2 3.66Å; W188-F249 HydrophobicContact CH2-CD2 3.66Å; W188-F249 AromaticContact CH2-CE2 3.71Å; W188-F249 HydrophobicContact CH2-CE2 3.71Å; W188-F249 AromaticContact CZ3-CD2 3.81Å; W188-F249 HydrophobicContact CZ3-CD2 3.81Å; W188-F249 HydrophobicContact CZ3-CE2 4.05Å; G194-F249 PolarHBondContact O-N 3.3Å; F196-F249 AromaticContact CD1-CD2 3.63Å; F196-F249 HydrophobicContact CD1-CD2 3.63Å; F196-F249 AromaticContact CD1-CE2 3.4Å; F196-F249 HydrophobicContact CD1-CE2 3.4Å; F196-F249 HydrophobicContact CD1-CG 4.44Å; F196-F249 HydrophobicContact CD1-CZ 4.04Å; F196-F249 HydrophobicContact CE1-CD1 4.19Å; F196-F249 AromaticContact CE1-CD2 3.61Å; F196-F249 HydrophobicContact CE1-CD2 3.61Å; F196-F249 AromaticContact CE1-CE1 3.94Å; F196-F249 HydrophobicContact CE1-CE1 3.94Å; F196-F249 AromaticContact CE1-CE2 3.33Å; F196-F249 HydrophobicContact CE1-CE2 3.33Å; F196-F249 HydrophobicContact CE1-CG 4.04Å; F196-F249 AromaticContact CE1-CZ 3.51Å; F196-F249 HydrophobicContact CE1-CZ 3.51Å; F196-F249 HydrophobicContact CG-CE2 4.3Å; F196-F249 HydrophobicContact CZ-CE1 4.38Å; F196-F249 HydrophobicContact CZ-CE2 4.18Å; F196-F249 AromaticContact CZ-CZ 3.97Å; F196-F249 HydrophobicContact CZ-CZ 3.97Å; E237-F249 WeakPolarHBondContact O-CA 3.39Å; V238-F249 HydrophobicContact CG2-CD1 3.79Å; V238-F249 HydrophobicContact CG2-CE1 3.87Å; F249-V253 HydrophobicContact CB-CB 4.32Å; F249-V253 HydrophobicContact CB-CG1 4.08Å; F249-V253 HydrophobicContact CD1-CG1 3.68Å; F249-V253 HydrophobicContact CE1-CG1 4.38Å; F249-V253 HydrophobicContact CG-CG1 4.05Å; F249-M254 HydrophobicContact CB-CG 3.82Å; F249-M254 HydrophobicContact CB-SD 3.83Å; F249-M254 HydrophobicContact CD2-SD 3.94Å; F249-M254 HydrophobicContact CG-SD 4.24Å
250	S	96.9	Very high	86.3	Confident	21 Å²	21	80.4 Å²	80.4	15%	0.147	43%	0.431	C	S	.	.			trans	-67	159.5	169.8	62.6	0	0	0	0	112.2	G236 E237 E252 V253 M254	G236-S250 VanDerWaalsContact O-CB 3.27Å; G236-S250 WeakPolarHBondContact O-CB 3.37Å; E237-S250 PolarHBondContact O-N 3.41Å; S250-E252 PolarHBondContact O-N 3.4Å; S250-V253 PolarHBondContact O-N 3.31Å; S250-V253 WeakPolarHBondContact OG-CG2 3.08Å; S250-V253 PolarHBondContact OG-N 3.26Å; S250-M254 WeakPolarHBondContact O-CG 3.18Å; S250-M254 PolarHBondContact O-N 3.12Å
251	G	93.9	Very high	83.9	Confident	26 Å²	26	86.4 Å²	86.4	27%	0.268	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.3	172.2	0	0	0	0	0	112.3	V253 M254 G255 R256	G251-V253 PolarHBondContact O-N 3.49Å; G251-M254 PolarHBondContact O-N 3.06Å; G251-G255 PolarHBondContact O-N 3.25Å; G251-R256 WeakPolarHBondContact O-CA 3.15Å; G251-R256 WeakPolarHBondContact O-CB 3.25Å; G251-R256 PolarHBondContact O-N 3.12Å
252	E	93.3	Very high	81.4	Confident	166 Å²	166	91.8 Å²	91.8	78%	0.776	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-49.3	176.4	-173.4	-175.6	168.1	0	0	112.2	S250 M254 G255	S250-E252 PolarHBondContact O-N 3.4Å; E252-M254 VanDerWaalsContact C-N 3.28Å; E252-M254 PolarHBondContact O-N 3.14Å; E252-G255 PolarHBondContact O-N 2.97Å
253	V	94.4	Very high	78.6	Confident	23 Å²	23	90 Å²	90	14%	0.139	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-35.5	178.4	170.6	0	0	0	0	111.9	Y170 L174 E237 F249 S250 G251 G255	Y170-V253 HydrophobicContact CD2-CG1 3.97Å; Y170-V253 HydrophobicContact CD2-CG2 4.33Å; Y170-V253 HydrophobicContact CE2-CG1 4.09Å; Y170-V253 HydrophobicContact CE2-CG2 4.08Å; L174-V253 HydrophobicContact CD2-CG1 3.86Å; E237-V253 HydrophobicContact CB-CG2 3.67Å; E237-V253 HydrophobicContact CG-CG2 3.89Å; F249-V253 HydrophobicContact CB-CB 4.32Å; F249-V253 HydrophobicContact CB-CG1 4.08Å; F249-V253 HydrophobicContact CD1-CG1 3.68Å; F249-V253 HydrophobicContact CE1-CG1 4.38Å; F249-V253 HydrophobicContact CG-CG1 4.05Å; S250-V253 PolarHBondContact O-N 3.31Å; S250-V253 WeakPolarHBondContact OG-CG2 3.08Å; S250-V253 PolarHBondContact OG-N 3.26Å; G251-V253 PolarHBondContact O-N 3.49Å; V253-G255 PolarHBondContact O-N 2.76Å
254	M	93.6	Very high	75.9	Confident	30 Å²	30	94.6 Å²	94.6	15%	0.148	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.5	176.7	-66.6	-65	-66.6	0	0	113.2	L174 W188 K191 F249 S250 G251 E252 R256	L174-M254 HydrophobicContact CD1-SD 4.14Å; W188-M254 HydrophobicContact CH2-CE 3.84Å; W188-M254 HydrophobicContact CH2-SD 3.71Å; W188-M254 HydrophobicContact CZ2-CE 4.44Å; W188-M254 HydrophobicContact CZ3-CE 4.16Å; W188-M254 HydrophobicContact CZ3-SD 4.17Å; K191-M254 VanDerWaalsContact O-CE 3.27Å; K191-M254 WeakPolarHBondContact O-CE 3.46Å; F249-M254 HydrophobicContact CB-CG 3.82Å; F249-M254 HydrophobicContact CB-SD 3.83Å; F249-M254 HydrophobicContact CD2-SD 3.94Å; F249-M254 HydrophobicContact CG-SD 4.24Å; S250-M254 WeakPolarHBondContact O-CG 3.18Å; S250-M254 PolarHBondContact O-N 3.12Å; G251-M254 PolarHBondContact O-N 3.06Å; E252-M254 VanDerWaalsContact C-N 3.28Å; E252-M254 PolarHBondContact O-N 3.14Å; M254-R256 HydrophobicContact CB-CG 4.33Å; M254-R256 VanDerWaalsContact CB-NH1 3.29Å
255	G	85.6	Confident	74	Confident	64 Å²	64	91.2 Å²	91.2	66%	0.66	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	16	-175.8	0	0	0	0	0	113.6	G251 E252 V253 G257	G251-G255 PolarHBondContact O-N 3.25Å; E252-G255 PolarHBondContact O-N 2.97Å; V253-G255 PolarHBondContact O-N 2.76Å; G255-G257 VanDerWaalsContact C-N 3.35Å; G255-G257 PolarHBondContact O-N 3.41Å
256	R	70.4	Confident	71.6	Confident	117 Å²	117	101.9 Å²	101.9	44%	0.442	53%	0.526	S	S	.	.			trans	-95.9	56.9	176.5	-59	-167.9	-63.2	-94.4	5.2	110.6	E192 K193 G251 M254	E192-R256 PolarHBondContact O-NH1 3.41Å; E192-R256 PolarHBondContact O-NH2 3.15Å; E192-R256 VanDerWaalsContact O-NH2 3.15Å; K193-R256 PolarHBondContact O-NH2 3.13Å; G251-R256 WeakPolarHBondContact O-CA 3.15Å; G251-R256 WeakPolarHBondContact O-CB 3.25Å; G251-R256 PolarHBondContact O-N 3.12Å; M254-R256 HydrophobicContact CB-CG 4.33Å; M254-R256 VanDerWaalsContact CB-NH1 3.29Å
257	G	53.7	Low	70.2	Confident	54 Å²	54	106.9 Å²	106.9	56%	0.557	55%	0.552	S	S	*	*			trans	-134.4	118.9	-179.5	0	0	0	0	0	112.3	G255	G255-G257 VanDerWaalsContact C-N 3.35Å; G255-G257 PolarHBondContact O-N 3.41Å
258	V	49.3	Very low	68.7	Low	136 Å²	136	112.2 Å²	112.2	82%	0.824	58%	0.58	S	S	*	*	S	Bend	trans	86.6	56.9	171.8	-157.3	0	0	0	0	117.5
259	T	50.4	Low	67.1	Low	148 Å²	148	115 Å²	115	91%	0.908	60%	0.596	S	S	*	*	S	Bend	trans	-129.1	-9.5	150.8	51.9	0	0	0	0	114.6
260	D	48.6	Very low	65.2	Low	131 Å²	131	121.6 Å²	121.6	70%	0.701	63%	0.631	S	S	*	*			trans	-119.8	34.5	178.6	-148.8	-100.2	0	0	0	113.3	K262	D260-K262 VanDerWaalsContact C-N 3.26Å; D260-K262 PolarHBondContact O-N 3.33Å
261	R	46.4	Very low	63.2	Low	231 Å²	231	127.9 Å²	127.9	87%	0.872	66%	0.661	S	S	*	*			trans	-89	80	151.5	-94.5	-170.8	160.1	164.4	-4.3	106.7	H263	R261-H263 PolarHBondContact O-N 2.92Å
262	K	45.9	Very low	61.2	Low	156 Å²	156	134.7 Å²	134.7	68%	0.678	69%	0.687	S	S	*	*			trans	-47.7	109.3	161.1	-74.7	179.4	179.2	174.2	0	107	D260 Y264	D260-K262 VanDerWaalsContact C-N 3.26Å; D260-K262 PolarHBondContact O-N 3.33Å; K262-Y264 PolarHBondContact O-N 3.34Å
263	H	39.5	Very low	58.9	Low	187 Å²	187	132.4 Å²	132.4	87%	0.866	68%	0.681	S	S	*	*			trans	-52.1	106.4	160.7	-107.6	-130.6	0	0	0	106.1	R261 P265	R261-H263 PolarHBondContact O-N 2.92Å; H263-P265 VanDerWaalsContact O-CD 3.25Å; H263-P265 WeakPolarHBondContact O-CD 3.49Å
264	Y	40.5	Very low	56.2	Low	209 Å²	209	140.8 Å²	140.8	82%	0.82	72%	0.722	S	S	*	*			trans	-83.5	110.1	159.2	-101.1	-89.1	0	0	0	105.9	K262 H266	K262-Y264 PolarHBondContact O-N 3.34Å; Y264-H266 PolarHBondContact O-N 3.45Å
265	P	58.6	Low	53	Low	115 Å²	115	150.1 Å²	150.1	75%	0.747	77%	0.77	S	S	*	*			trans	-67.2	130.2	164.9	29.3	-30.8	0	0	0	107.9	H263	H263-P265 VanDerWaalsContact O-CD 3.25Å; H263-P265 WeakPolarHBondContact O-CD 3.49Å
266	H	47.5	Very low	50.1	Low	253 Å²	253	157.9 Å²	157.9	100%	1.171	78%	0.78	S	S	*	*			trans	-95.3	0	158.3	-170.9	-42.8	0	0	0	107.7	Y264	Y264-H266 PolarHBondContact O-N 3.45Å

Retrieved 266 of 266 residues in 246.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).