A0A077Z4M8_TRITR Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A077Z4M8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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	39.9	Very low	40.6	Very low	239 Å²	239	164.8 Å²	164.8	100%	1.177	85%	0.851	S	S	*	*				0	93.8	0	-69.3	166.9	97	0	0	108
2	R	37.3	Very low	40.1	Very low	243 Å²	243	163.9 Å²	163.9	92%	0.917	85%	0.847	S	S	*	*			trans	-72.3	123.1	170.3	-82.4	177.4	173	166.8	-3.2	107
3	K	45	Very low	40.3	Very low	195 Å²	195	161.6 Å²	161.6	85%	0.848	84%	0.835	S	S	*	*			trans	-100.8	110.8	165.5	-81.4	-175.3	174.6	-178.2	0	106.6	V5	K3-V5 PolarHBondContact O-N 3.15Å
4	D	39.5	Very low	39.9	Very low	148 Å²	148	160.6 Å²	160.6	79%	0.791	83%	0.831	S	S	*	*			trans	-59.9	127.8	168.3	-64.1	-50.7	0	0	0	108.9
5	V	46.8	Very low	39.9	Very low	129 Å²	129	156.6 Å²	156.6	78%	0.782	82%	0.822	S	S	*	*			trans	-100.4	104.7	167.1	178	0	0	0	0	106.3	K3 F7	K3-V5 PolarHBondContact O-N 3.15Å; V5-F7 PolarHBondContact O-N 3.3Å
6	T	38.7	Very low	40	Very low	125 Å²	125	156.2 Å²	156.2	77%	0.767	82%	0.819	S	S	*	*			trans	-72	118.5	170.2	46.7	0	0	0	0	109.3
7	F	39.8	Very low	40.1	Very low	197 Å²	197	156.2 Å²	156.2	86%	0.864	82%	0.819	S	S	*	*			trans	-84.8	106.3	170.2	-128.6	-93.4	0	0	0	107.8	V5	V5-F7 PolarHBondContact O-N 3.3Å
8	E	44.8	Very low	40.4	Very low	178 Å²	178	153.1 Å²	153.1	83%	0.832	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.5	133.1	165.8	-77.3	-164.6	151.7	0	0	109.4
9	G	39.1	Very low	40.8	Very low	78 Å²	78	151 Å²	151	80%	0.804	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.5	134	-173.7	0	0	0	0	0	113.3
10	V	40.6	Very low	40.8	Very low	132 Å²	132	150.7 Å²	150.7	80%	0.8	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-89.8	122	172.8	177.6	0	0	0	0	109
11	L	34.9	Very low	41.2	Very low	149 Å²	149	147 Å²	147	78%	0.78	80%	0.797	S	S	*	*			trans	-84.1	112.8	173.4	-165.8	79.3	0	0	0	109	I13	L11-I13 HydrophobicContact CD2-CD1 4.33Å; L11-I13 HydrophobicContact CD2-CG1 4.23Å; L11-I13 PolarHBondContact O-N 3.03Å
12	L	35.3	Very low	41.3	Very low	154 Å²	154	143 Å²	143	81%	0.806	78%	0.78	S	S	*	*			trans	-76.8	107.2	173.6	-107.3	146.6	0	0	0	109.6
13	I	42.8	Very low	42	Very low	134 Å²	134	138.9 Å²	138.9	69%	0.687	78%	0.775	S	S	*	*			trans	-98.2	104.4	169.5	-58	178	0	0	0	107.9	L11 S15	L11-I13 HydrophobicContact CD2-CD1 4.33Å; L11-I13 HydrophobicContact CD2-CG1 4.23Å; L11-I13 PolarHBondContact O-N 3.03Å; I13-S15 PolarHBondContact O-N 3.14Å
14	L	34.7	Very low	42.1	Very low	148 Å²	148	132.3 Å²	132.3	78%	0.775	76%	0.762	S	S	*	*			trans	-72.8	107.6	164.9	-94.2	108	0	0	0	108.8
15	S	39.8	Very low	42.6	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	76%	0.757	S	S	*	*			trans	-101.3	109.8	163.7	52.1	0	0	0	0	109.3	I13 L17	I13-S15 PolarHBondContact O-N 3.14Å; S15-L17 PolarHBondContact O-N 3.25Å
16	I	40.4	Very low	42.6	Very low	150 Å²	150	129.4 Å²	129.4	77%	0.769	76%	0.756	S	S	*	*			trans	-86.3	105.6	170.1	-58.3	171.6	0	0	0	106.3
17	L	43.1	Very low	43.1	Very low	157 Å²	157	132.3 Å²	132.3	82%	0.822	76%	0.755	S	S	*	*			trans	-89.3	118.4	167.5	-80.5	168.5	0	0	0	108.9	S15 S19	S15-L17 PolarHBondContact O-N 3.25Å; L17-S19 PolarHBondContact O-N 3.15Å
18	P	44.9	Very low	43.5	Very low	99 Å²	99	124 Å²	124	64%	0.643	72%	0.724	S	S	*	*			trans	-78.6	103.8	164.6	31.4	-26.6	0	0	0	107.5	L20	P18-L20 HydrophobicContact CB-CD1 4.39Å; P18-L20 PolarHBondContact O-N 3.19Å; P18-L20 VanDerWaalsContact O-N 3.08Å
19	S	47.4	Very low	44	Very low	114 Å²	114	121.7 Å²	121.7	80%	0.797	73%	0.728	S	S	*	*			trans	-68.8	99.3	158.7	173.7	0	0	0	0	107.2	L17 A21	L17-S19 PolarHBondContact O-N 3.15Å; S19-A21 PolarHBondContact O-N 3.45Å; S19-A21 VanDerWaalsContact O-N 3.13Å
20	L	41	Very low	44.8	Very low	144 Å²	144	124.7 Å²	124.7	75%	0.754	73%	0.725	S	S	*	*			trans	-68.3	100.2	161.4	-95.4	84.5	0	0	0	107.4	P18	P18-L20 HydrophobicContact CB-CD1 4.39Å; P18-L20 PolarHBondContact O-N 3.19Å; P18-L20 VanDerWaalsContact O-N 3.08Å
21	A	49.8	Very low	45.5	Very low	74 Å²	74	121.4 Å²	121.4	61%	0.612	72%	0.719	S	S	*	*			trans	-95.7	114.4	150.3	0	0	0	0	0	106.6	S19 I23	S19-A21 PolarHBondContact O-N 3.45Å; S19-A21 VanDerWaalsContact O-N 3.13Å; A21-I23 VanDerWaalsContact C-N 3.34Å; A21-I23 PolarHBondContact O-N 3.4Å
22	D	41.2	Very low	46.1	Very low	156 Å²	156	121.9 Å²	121.9	83%	0.834	72%	0.717	S	S	*	*			trans	-60.8	92.8	173.2	-76.6	-44	0	0	0	109.8
23	I	52.1	Low	46.7	Very low	156 Å²	156	119 Å²	119	80%	0.8	72%	0.716	S	S	*	*			trans	-101.9	96.3	161.3	-61.5	173.9	0	0	0	105.6	A21	A21-I23 VanDerWaalsContact C-N 3.34Å; A21-I23 PolarHBondContact O-N 3.4Å
24	G	48.2	Very low	47.1	Very low	56 Å²	56	120.9 Å²	120.9	58%	0.577	72%	0.719	S	S	*	*			trans	-55.6	146.9	176.6	0	0	0	0	0	111.6	S26	G24-S26 PolarHBondContact O-N 3.05Å; G24-S26 VanDerWaalsContact O-N 3.12Å
25	P	49.3	Very low	48	Very low	107 Å²	107	120.3 Å²	120.3	70%	0.695	72%	0.721	S	S	*	*			trans	-65.4	116.4	-177.1	25.7	-31.8	0	0	0	110.4	Y27	P25-Y27 HydrophobicContact CB-CD2 4.35Å; P25-Y27 HydrophobicContact CB-CE2 4.12Å; P25-Y27 HydrophobicContact CG-CD2 4.49Å; P25-Y27 HydrophobicContact CG-CE2 4.05Å; P25-Y27 PolarHBondContact O-N 3.22Å
26	S	47.8	Very low	48.6	Very low	109 Å²	109	118.2 Å²	118.2	76%	0.762	72%	0.715	S	S	*	*			trans	-73.8	104.7	164.8	165.3	0	0	0	0	108.6	G24	G24-S26 PolarHBondContact O-N 3.05Å; G24-S26 VanDerWaalsContact O-N 3.12Å
27	Y	48.8	Very low	49.2	Very low	187 Å²	187	120 Å²	120	73%	0.733	72%	0.72	S	S	*	*			trans	-77.4	119.7	175.1	-87.4	-92.3	0	0	0	110.3	P25	P25-Y27 HydrophobicContact CB-CD2 4.35Å; P25-Y27 HydrophobicContact CB-CE2 4.12Å; P25-Y27 HydrophobicContact CG-CD2 4.49Å; P25-Y27 HydrophobicContact CG-CE2 4.05Å; P25-Y27 PolarHBondContact O-N 3.22Å
28	G	47.1	Very low	50	Low	22 Å²	22	120.2 Å²	120.2	23%	0.227	72%	0.722	C	S	.	*			trans	-69	152	166.2	0	0	0	0	0	111.4	N30 G31	G28-N30 PolarHBondContact O-N 3.23Å; G28-G31 PolarHBondContact O-N 3.02Å
29	S	56.1	Low	50.9	Low	129 Å²	129	119.6 Å²	119.6	90%	0.902	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	1	-177	-169	0	0	0	0	116.4
30	N	55.8	Low	51.6	Low	141 Å²	141	121.9 Å²	121.9	75%	0.754	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	16.4	-178.2	-81	-7.1	0	0	0	114	G28 Q32	G28-N30 PolarHBondContact O-N 3.23Å; N30-Q32 PolarHBondContact O-N 3.43Å
31	G	55.2	Low	53.1	Low	64 Å²	64	120.1 Å²	120.1	66%	0.66	73%	0.725	S	S	*	*	S	Bend	trans	63.7	10.8	173.5	0	0	0	0	0	115.3	G28	G28-G31 PolarHBondContact O-N 3.02Å
32	Q	47.7	Very low	54.3	Low	158 Å²	158	124.5 Å²	124.5	74%	0.738	74%	0.737	S	S	*	*			trans	-103.7	127.8	173.3	-71	-179.5	-16.5	0	0	109.2	N30 K34	N30-Q32 PolarHBondContact O-N 3.43Å; Q32-K34 PolarHBondContact O-N 2.89Å
33	A	48.4	Very low	56	Low	95 Å²	95	123.4 Å²	123.4	79%	0.785	73%	0.729	S	S	*	*			trans	-59.8	120.2	175.3	0	0	0	0	0	109.7	V35	A33-V35 PolarHBondContact O-N 3.24Å
34	K	49.5	Very low	57	Low	173 Å²	173	123.5 Å²	123.5	75%	0.752	73%	0.726	S	S	*	*			trans	-74.5	111.2	167.2	-75.4	-172.4	170.7	-174.7	0	107.7	Q32 G36	Q32-K34 PolarHBondContact O-N 2.89Å; K34-G36 VanDerWaalsContact C-N 3.35Å; K34-G36 PolarHBondContact O-N 2.7Å
35	V	53.6	Low	58.3	Low	136 Å²	136	128 Å²	128	82%	0.824	74%	0.736	S	S	*	*			trans	-67.1	100.1	162.9	-179.2	0	0	0	0	105.7	A33 E37	A33-V35 PolarHBondContact O-N 3.24Å; V35-E37 PolarHBondContact O-N 2.88Å
36	G	52.6	Low	59	Low	56 Å²	56	132.3 Å²	132.3	58%	0.577	74%	0.738	S	S	*	*			trans	-68.2	121.4	173.6	0	0	0	0	0	109	K34 D38	K34-G36 VanDerWaalsContact C-N 3.35Å; K34-G36 PolarHBondContact O-N 2.7Å; G36-D38 PolarHBondContact O-N 3.46Å
37	E	54	Low	59.8	Low	187 Å²	187	131.5 Å²	131.5	87%	0.874	74%	0.738	S	S	*	*	S	Bend	trans	-69.9	10.3	177.8	-75.4	-180	137.8	0	0	113.8	V35	V35-E37 PolarHBondContact O-N 2.88Å
38	D	59	Low	60.6	Low	161 Å²	161	131.4 Å²	131.4	86%	0.861	74%	0.744	S	S	*	*			trans	-113.2	36.7	-166.8	-64	-28.6	0	0	0	114.5	G36	G36-D38 PolarHBondContact O-N 3.46Å
39	A	64.2	Low	62	Low	87 Å²	87	133.3 Å²	133.3	72%	0.719	76%	0.764	S	S	*	*			trans	-128.9	65.7	173.6	0	0	0	0	0	111.8	P41	A39-P41 VanDerWaalsContact O-CD 3.28Å; A39-P41 WeakPolarHBondContact O-CD 3.44Å
40	L	62	Low	63.3	Low	162 Å²	162	136.7 Å²	136.7	85%	0.848	76%	0.762	S	S	*	*			trans	-67.9	116.1	161.3	-73.9	170.9	0	0	0	107.8	I42	L40-I42 PolarHBondContact O-N 2.81Å
41	P	73.4	Confident	64.6	Low	106 Å²	106	135.7 Å²	135.7	69%	0.688	76%	0.763	S	S	*	*			trans	-64.3	121.5	177.6	26.2	-32.7	0	0	0	109.5	A39 I43	A39-P41 VanDerWaalsContact O-CD 3.28Å; A39-P41 WeakPolarHBondContact O-CD 3.44Å; P41-I43 PolarHBondContact O-N 3.42Å; P41-I43 VanDerWaalsContact O-N 3.16Å
42	I	74.2	Confident	66	Low	167 Å²	167	136.9 Å²	136.9	86%	0.856	75%	0.752	S	S	*	*			trans	-74.2	103.9	166.9	-59.9	173.5	0	0	0	106.5	L40 E44	L40-I42 PolarHBondContact O-N 2.81Å; I42-E44 PolarHBondContact O-N 2.81Å
43	I	77.9	Confident	67.9	Low	132 Å²	132	132.9 Å²	132.9	68%	0.677	74%	0.739	S	S	*	*			trans	-87.4	102.9	171.8	-58.7	169	0	0	0	106.8	P41 I45	P41-I43 PolarHBondContact O-N 3.42Å; P41-I43 VanDerWaalsContact O-N 3.16Å; I43-I45 HydrophobicContact CG2-CG1 4.04Å; I43-I45 PolarHBondContact O-N 3.38Å
44	E	72.7	Confident	69.7	Low	159 Å²	159	130 Å²	130	74%	0.743	71%	0.713	S	S	*	*			trans	-76.5	100.3	170.3	-166.2	-179.7	175.3	0	0	108.7	I42 R46	I42-E44 PolarHBondContact O-N 2.81Å; E44-R46 PolarHBondContact O-N 3.04Å
45	I	75.1	Confident	71.5	Confident	150 Å²	150	123.2 Å²	123.2	77%	0.769	69%	0.69	S	S	*	*			trans	-78.6	101	171.9	-56.9	177.3	0	0	0	107.5	I43 A47	I43-I45 HydrophobicContact CG2-CG1 4.04Å; I43-I45 PolarHBondContact O-N 3.38Å; I45-A47 PolarHBondContact O-N 3.19Å
46	R	63.7	Low	73.1	Confident	198 Å²	198	121.5 Å²	121.5	75%	0.747	67%	0.673	S	S	*	*			trans	-79.2	108.2	165.7	-110.6	-179.7	-176.5	-170.7	1.1	109.1	E44 E48	E44-R46 PolarHBondContact O-N 3.04Å; R46-E48 PolarHBondContact O-N 3.04Å
47	A	65.4	Low	74.8	Confident	91 Å²	91	122.5 Å²	122.5	75%	0.752	66%	0.664	S	S	*	*			trans	-78.6	107.9	164.2	0	0	0	0	0	108.5	I45 G49	I45-A47 PolarHBondContact O-N 3.19Å; A47-G49 PolarHBondContact O-N 3.02Å
48	E	65.7	Low	76.5	Confident	186 Å²	186	114.7 Å²	114.7	87%	0.869	63%	0.626	S	S	*	*			trans	-81.7	94.5	170.6	-64.1	-169.4	168.4	0	0	108.8	R46	R46-E48 PolarHBondContact O-N 3.04Å
49	G	75.3	Confident	77.8	Confident	62 Å²	62	109.6 Å²	109.6	64%	0.639	61%	0.606	S	S	*	*	S	Bend	trans	-168.9	156.5	178.1	0	0	0	0	0	111.1	A47	A47-G49 PolarHBondContact O-N 3.02Å
50	K	83.2	Confident	79.1	Confident	200 Å²	200	109.8 Å²	109.8	87%	0.87	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-59.6	136.3	167.5	-71.7	-178.2	-178.8	177.4	0	107.9	M52	K50-M52 PolarHBondContact O-N 3.34Å
51	P	83.9	Confident	80.4	Confident	119 Å²	119	105.7 Å²	105.7	77%	0.773	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-56.5	138.8	174.8	25.2	-33.6	0	0	0	109
52	M	84.8	Confident	81.3	Confident	89 Å²	89	103.5 Å²	103.5	44%	0.438	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-59.5	140.6	174.9	-74.7	-178.4	63.7	0	0	110.1	K50 Q56 I57 L60	K50-M52 PolarHBondContact O-N 3.34Å; M52-Q56 HydrophobicContact CB-CB 4.4Å; M52-Q56 HydrophobicContact CE-CB 3.61Å; M52-I57 HydrophobicContact CB-CD1 4.37Å; M52-I57 HydrophobicContact CB-CG1 3.88Å; M52-I57 HydrophobicContact CE-CG1 4.31Å; M52-L60 HydrophobicContact CE-CD1 3.25Å; M52-L60 HydrophobicContact CE-CG 3.91Å; M52-L60 HydrophobicContact SD-CD1 3.98Å
53	T	88.2	Confident	82.2	Confident	74 Å²	74	102.8 Å²	102.8	45%	0.454	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-70.8	154.9	173.5	73.1	0	0	0	0	110	A55 Q56 I57	T53-A55 PolarHBondContact O-N 3.39Å; T53-A55 VanDerWaalsContact O-N 3.14Å; T53-Q56 WeakPolarHBondContact O-CB 3.43Å; T53-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 VanDerWaalsContact OG1-CG 3.32Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.49Å; T53-Q56 PolarHBondContact OG1-N 3.29Å; T53-I57 WeakPolarHBondContact O-CG1 3.44Å; T53-I57 PolarHBondContact O-N 3.42Å
54	S	86.1	Confident	82.9	Confident	35 Å²	35	100.8 Å²	100.8	25%	0.245	55%	0.548	C	S	.	.	H	α-helix	trans	-54.4	-34	175.9	-39	0	0	0	0	112.4	R58 E166 H167	S54-R58 WeakPolarHBondContact O-CG 3.42Å; S54-R58 PolarHBondContact O-N 2.99Å; S54-R58 VanDerWaalsContact O-N 3.14Å; S54-E166 WeakPolarHBondContact CB-O 3.26Å; S54-H167 PolarHBondContact OG-CE1 2.95Å; S54-H167 PolarHBondContact OG-NE2 2.97Å
55	A	85.8	Confident	83.7	Confident	31 Å²	31	98.1 Å²	98.1	26%	0.256	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-47	173.9	0	0	0	0	0	112.1	T53 R58 A59 E166	T53-A55 PolarHBondContact O-N 3.39Å; T53-A55 VanDerWaalsContact O-N 3.14Å; A55-R58 PolarHBondContact O-N 3.45Å; A55-A59 PolarHBondContact O-N 3.44Å; A55-E166 WeakPolarHBondContact CA-OE2 3.5Å; A55-E166 HydrophobicContact CB-CB 4.48Å; A55-E166 WeakPolarHBondContact CB-OE2 3.36Å
56	Q	88.9	Confident	84.5	Confident	100 Å²	100	94.3 Å²	94.3	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-66.4	-39.7	179.4	-66.4	169.6	-39.7	0	0	111.4	M52 T53 R58 A59 L60	M52-Q56 HydrophobicContact CB-CB 4.4Å; M52-Q56 HydrophobicContact CE-CB 3.61Å; T53-Q56 WeakPolarHBondContact O-CB 3.43Å; T53-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 VanDerWaalsContact OG1-CG 3.32Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.49Å; T53-Q56 PolarHBondContact OG1-N 3.29Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; Q56-R58 PolarHBondContact O-N 3.21Å; Q56-A59 PolarHBondContact O-N 2.91Å; Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.5Å; Q56-L60 VanDerWaalsContact O-N 3.11Å
57	I	88.5	Confident	85.9	Confident	77 Å²	77	91 Å²	91	40%	0.395	52%	0.524	S	S	.	.	H	α-helix	trans	-59.4	-47.3	175.7	-64.6	168.9	0	0	0	110.1	M52 T53 A59 L60 E61	M52-I57 HydrophobicContact CB-CD1 4.37Å; M52-I57 HydrophobicContact CB-CG1 3.88Å; M52-I57 HydrophobicContact CE-CG1 4.31Å; T53-I57 WeakPolarHBondContact O-CG1 3.44Å; T53-I57 PolarHBondContact O-N 3.42Å; I57-A59 PolarHBondContact O-N 3.42Å; I57-L60 WeakPolarHBondContact O-CB 3.5Å; I57-L60 PolarHBondContact O-N 3.42Å; I57-E61 WeakPolarHBondContact O-CG 3.21Å; I57-E61 PolarHBondContact O-N 3.26Å
58	R	88.5	Confident	87.1	Confident	22 Å²	22	90 Å²	90	8%	0.083	51%	0.511	C	S	.	.	H	α-helix	trans	-67.4	-35.2	178.9	-69.5	-164.8	-155.8	81.2	30.2	114.1	S54 A55 Q56 L60 E61 E62 L69 E101 E166	S54-R58 WeakPolarHBondContact O-CG 3.42Å; S54-R58 PolarHBondContact O-N 2.99Å; S54-R58 VanDerWaalsContact O-N 3.14Å; A55-R58 PolarHBondContact O-N 3.45Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; Q56-R58 PolarHBondContact O-N 3.21Å; R58-L60 VanDerWaalsContact C-N 3.27Å; R58-L60 PolarHBondContact O-N 2.87Å; R58-E61 WeakPolarHBondContact O-CB 3.4Å; R58-E61 PolarHBondContact O-N 3.08Å; R58-E62 WeakPolarHBondContact O-CG 3.28Å; R58-E62 PolarHBondContact O-N 2.58Å; R58-L69 HydrophobicContact CB-CD1 4.06Å; R58-L69 HydrophobicContact CG-CD1 3.98Å; R58-E101 IonicContact NH2-OE2 3.9Å; R58-E166 VanDerWaalsContact CZ-C 3.44Å; R58-E166 VanDerWaalsContact NH1-CB 3.3Å; R58-E166 PolarHBondContact NH1-O 3.11Å; R58-E166 PolarHBondContact NH2-O 3.32Å
59	A	87.3	Confident	88.4	Confident	54 Å²	54	81.4 Å²	81.4	45%	0.446	47%	0.471	S	S	.	.	H	α-helix	trans	-60.1	-42	174.1	0	0	0	0	0	110.8	A55 Q56 I57 E62 E63	A55-A59 PolarHBondContact O-N 3.44Å; Q56-A59 PolarHBondContact O-N 2.91Å; I57-A59 PolarHBondContact O-N 3.42Å; A59-E62 PolarHBondContact O-N 3.1Å; A59-E63 WeakPolarHBondContact O-CB 3.49Å; A59-E63 PolarHBondContact O-N 2.79Å
60	L	90.8	Very high	89.3	Confident	91 Å²	91	82.1 Å²	82.1	48%	0.476	46%	0.46	S	S	.	.	H	α-helix	trans	-65.4	-38.2	173.7	-67.5	-174.6	0	0	0	112.6	M52 Q56 I57 R58 E63 A64	M52-L60 HydrophobicContact CE-CD1 3.25Å; M52-L60 HydrophobicContact CE-CG 3.91Å; M52-L60 HydrophobicContact SD-CD1 3.98Å; Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.5Å; Q56-L60 VanDerWaalsContact O-N 3.11Å; I57-L60 WeakPolarHBondContact O-CB 3.5Å; I57-L60 PolarHBondContact O-N 3.42Å; R58-L60 VanDerWaalsContact C-N 3.27Å; R58-L60 PolarHBondContact O-N 2.87Å; L60-E63 PolarHBondContact O-N 2.89Å; L60-A64 VanDerWaalsContact O-CB 3.31Å; L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.23Å
61	E	90.1	Very high	90	Very high	77 Å²	77	74.2 Å²	74.2	36%	0.36	43%	0.427	S	S	.	.	H	α-helix	trans	-61.8	-46.4	174.6	-69.1	174.7	168.2	0	0	111.7	I57 R58 E63 A64 E65 L69	I57-E61 WeakPolarHBondContact O-CG 3.21Å; I57-E61 PolarHBondContact O-N 3.26Å; R58-E61 WeakPolarHBondContact O-CB 3.4Å; R58-E61 PolarHBondContact O-N 3.08Å; E61-E63 VanDerWaalsContact C-N 3.34Å; E61-E63 PolarHBondContact O-N 2.76Å; E61-A64 PolarHBondContact O-N 3.32Å; E61-E65 WeakPolarHBondContact O-CG 3.28Å; E61-E65 PolarHBondContact O-N 2.7Å; E61-L69 HydrophobicContact CB-CD2 4.39Å
62	E	91.7	Very high	90.6	Very high	60 Å²	60	74 Å²	74	28%	0.28	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-38.3	177.7	-70.7	-170.6	154.5	0	0	112.1	R58 A59 G66 K67 P68 L69	R58-E62 WeakPolarHBondContact O-CG 3.28Å; R58-E62 PolarHBondContact O-N 2.58Å; A59-E62 PolarHBondContact O-N 3.1Å; E62-G66 PolarHBondContact O-N 3.4Å; E62-K67 WeakPolarHBondContact CA-O 3.19Å; E62-K67 PolarHBondContact O-N 2.73Å; E62-P68 WeakPolarHBondContact OE1-CA 3.05Å; E62-L69 HydrophobicContact CG-CB 4.35Å; E62-L69 HydrophobicContact CG-CD1 4.3Å; E62-L69 HydrophobicContact CG-CG 3.68Å; E62-L69 PolarHBondContact OE1-N 2.72Å
63	E	91.9	Very high	91.1	Very high	151 Å²	151	72.7 Å²	72.7	71%	0.706	41%	0.41	S	S	*	.	H	α-helix	trans	-66.3	-45.3	175.7	-174.9	172.7	-169.9	0	0	111.5	A59 L60 E61 E65 G66	A59-E63 WeakPolarHBondContact O-CB 3.49Å; A59-E63 PolarHBondContact O-N 2.79Å; L60-E63 PolarHBondContact O-N 2.89Å; E61-E63 VanDerWaalsContact C-N 3.34Å; E61-E63 PolarHBondContact O-N 2.76Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 2.89Å; E63-G66 PolarHBondContact O-N 3.28Å
64	A	92.9	Very high	91.6	Very high	90 Å²	90	75.7 Å²	75.7	74%	0.744	42%	0.417	S	S	*	.	H	α-helix	trans	-64.7	-36.3	177.6	0	0	0	0	0	112.8	L60 E61	L60-A64 VanDerWaalsContact O-CB 3.31Å; L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.23Å; E61-A64 PolarHBondContact O-N 3.32Å
65	E	90.8	Very high	92	Very high	104 Å²	104	76.9 Å²	76.9	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-81.1	-14.6	175.4	-70.2	-167.4	-165.7	0	0	113.6	E61 E63 K67	E61-E65 WeakPolarHBondContact O-CG 3.28Å; E61-E65 PolarHBondContact O-N 2.7Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 2.89Å; E65-K67 HydrophobicContact CB-CG 4.1Å; E65-K67 PolarHBondContact O-N 3.27Å; E65-K67 WeakPolarHBondContact OE2-CE 3.42Å
66	G	92.2	Very high	92.4	Very high	70 Å²	70	80.4 Å²	80.4	72%	0.722	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	16.9	-175.2	0	0	0	0	0	114.1	E62 E63	E62-G66 PolarHBondContact O-N 3.4Å; E63-G66 PolarHBondContact O-N 3.28Å
67	K	91.8	Very high	92.7	Very high	127 Å²	127	82.9 Å²	82.9	55%	0.552	43%	0.433	S	S	*	.	S	Bend	trans	-153.4	153.9	-179.2	65.1	-177.7	176.9	-180	0	111.1	E62 E65	E62-K67 WeakPolarHBondContact CA-O 3.19Å; E62-K67 PolarHBondContact O-N 2.73Å; E65-K67 HydrophobicContact CB-CG 4.1Å; E65-K67 PolarHBondContact O-N 3.27Å; E65-K67 WeakPolarHBondContact OE2-CE 3.42Å
68	P	91.5	Very high	92.9	Very high	72 Å²	72	84.7 Å²	84.7	47%	0.468	44%	0.435	S	S	.	.			trans	-63	145.4	174.9	-23	34.5	0	0	0	112.7	E62 D70	E62-P68 WeakPolarHBondContact OE1-CA 3.05Å; P68-D70 PolarHBondContact O-N 3.34Å
69	L	92.5	Very high	92.7	Very high	5 Å²	5	88.5 Å²	88.5	3%	0.026	45%	0.449	C	S	.	.			trans	-60.1	137.3	175.8	-68.7	172.7	0	0	0	110	R58 E61 E62 P147 R149 W168	R58-L69 HydrophobicContact CB-CD1 4.06Å; R58-L69 HydrophobicContact CG-CD1 3.98Å; E61-L69 HydrophobicContact CB-CD2 4.39Å; E62-L69 HydrophobicContact CG-CB 4.35Å; E62-L69 HydrophobicContact CG-CD1 4.3Å; E62-L69 HydrophobicContact CG-CG 3.68Å; E62-L69 PolarHBondContact OE1-N 2.72Å; L69-P147 HydrophobicContact CB-CB 3.98Å; L69-P147 HydrophobicContact CB-CG 4.18Å; L69-R149 PolarHBondContact O-NH2 3.38Å; L69-W168 HydrophobicContact CB-CZ2 4.31Å; L69-W168 HydrophobicContact CD1-CZ2 3.94Å; L69-W168 HydrophobicContact CD2-CZ2 4.1Å; L69-W168 HydrophobicContact CG-CZ2 4.33Å
70	D	94.9	Very high	92.4	Very high	76 Å²	76	95.8 Å²	95.8	41%	0.406	47%	0.471	S	S	.	.			trans	-122.6	171.2	175.5	-150.2	-7.1	0	0	0	111.1	P68 K131 L150 W168	P68-D70 PolarHBondContact O-N 3.34Å; D70-K131 IonicContact OD1-NZ 3.04Å; D70-K131 PolarHBondContact OD1-NZ 2.88Å; D70-K131 IonicContact OD2-NZ 2.7Å; D70-K131 PolarHBondContact OD2-NZ 3.26Å; D70-L150 WeakPolarHBondContact OD1-CD1 3.48Å; D70-W168 WeakPolarHBondContact O-CH2 3.48Å
71	I	96.4	Very high	92.2	Very high	34 Å²	34	96.5 Å²	96.5	17%	0.174	48%	0.475	C	S	.	.			trans	-62.3	149.7	179.8	60	166.3	0	0	0	112.5	V73 K131 A132 V144 D145 V146 L150	I71-V73 HydrophobicContact CD1-CG2 3.68Å; I71-V73 HydrophobicContact CG1-CG2 4.28Å; I71-K131 HydrophobicContact CD1-CB 3.52Å; I71-K131 HydrophobicContact CG1-CB 4.38Å; I71-A132 HydrophobicContact CD1-CB 3.79Å; I71-V144 HydrophobicContact CB-CG1 4.3Å; I71-D145 VanDerWaalsContact CA-O 3.31Å; I71-D145 WeakPolarHBondContact CA-O 3.39Å; I71-V146 HydrophobicContact CG2-CG1 4.37Å; I71-V146 HydrophobicContact CG2-CG2 4.17Å; I71-L150 HydrophobicContact CG2-CD1 3.92Å
72	K	96.1	Very high	92.1	Very high	116 Å²	116	94.2 Å²	94.2	50%	0.504	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.5	168.7	-58.3	174.1	-177.6	170	0	108.3	V144 D145 W168	K72-V144 CarbonylContact O-C 3.54Å; K72-V144 WeakPolarHBondContact O-CA 3.27Å; K72-D145 HydrophobicContact CB-CB 4.16Å; K72-D145 PolarHBondContact N-O 2.92Å; K72-D145 PolarHBondContact O-N 3.28Å; K72-W168 HydrophobicContact CD-CH2 4.1Å; K72-W168 HydrophobicContact CD-CZ3 4.17Å; K72-W168 HydrophobicContact CG-CH2 4.24Å; K72-W168 HydrophobicContact CG-CZ3 4.22Å
73	V	97.2	Very high	91.9	Very high	60 Å²	60	96.7 Å²	96.7	36%	0.364	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.4	-177.6	-175.9	0	0	0	0	109.9	I71 Y75 A132 V144	I71-V73 HydrophobicContact CD1-CG2 3.68Å; I71-V73 HydrophobicContact CG1-CG2 4.28Å; V73-Y75 HydrophobicContact CG1-CD2 4.42Å; V73-Y75 HydrophobicContact CG1-CE2 4.04Å; V73-A132 HydrophobicContact CG2-CB 3.83Å; V73-V144 HydrophobicContact CG1-CG2 4.43Å; V73-V144 HydrophobicContact CG2-CG1 4.34Å; V73-V144 HydrophobicContact CG2-CG2 4.41Å
74	K	96.9	Very high	91.9	Very high	137 Å²	137	95 Å²	95	60%	0.596	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.7	172.6	-177.2	-178.9	178.7	-174.9	0	109.3	L142 R143	K74-L142 CarbonylContact O-C 3.58Å; K74-L142 WeakPolarHBondContact O-CA 3.49Å; K74-R143 HydrophobicContact CB-CB 4.47Å; K74-R143 PolarHBondContact N-O 2.8Å; K74-R143 PolarHBondContact O-N 2.94Å
75	Y	95.6	Very high	92	Very high	61 Å²	61	93.8 Å²	93.8	24%	0.239	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.6	172.8	-70.2	-93.2	0	0	0	109.4	V73 R78 V136 L142	V73-Y75 HydrophobicContact CG1-CD2 4.42Å; V73-Y75 HydrophobicContact CG1-CE2 4.04Å; Y75-R78 HydrophobicContact CD1-CB 4.19Å; Y75-R78 HydrophobicContact CD1-CG 4.11Å; Y75-R78 HydrophobicContact CG-CB 4.3Å; Y75-R78 HydrophobicContact CG-CG 4.41Å; Y75-V136 HydrophobicContact CE1-CG1 4.45Å; Y75-L142 HydrophobicContact CD1-CB 4.45Å
76	E	94.3	Very high	92.2	Very high	105 Å²	105	89 Å²	89	49%	0.491	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-36.9	171.3	-58.9	-169.8	156.8	0	0	110.7	I141 R143	E76-I141 HydrophobicContact CB-CB 4.41Å; E76-I141 HydrophobicContact CB-CG2 4.13Å; E76-I141 PolarHBondContact N-O 3.44Å; E76-R143 HydrophobicContact CG-CB 4.48Å
77	R	94.1	Very high	92.4	Very high	151 Å²	151	91.9 Å²	91.9	57%	0.57	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.2	171.8	-174.5	-177.3	-65.7	171.5	0.2	109	D140 I141	R77-D140 WeakPolarHBondContact O-CA 3.29Å; R77-I141 HydrophobicContact CB-CB 3.94Å; R77-I141 HydrophobicContact CB-CD1 4.22Å; R77-I141 HydrophobicContact CB-CG1 4.11Å; R77-I141 PolarHBondContact N-O 2.85Å; R77-I141 VanDerWaalsContact N-O 3.1Å; R77-I141 PolarHBondContact O-N 2.88Å
78	R	92.6	Very high	92.6	Very high	115 Å²	115	88.6 Å²	88.6	43%	0.434	42%	0.416	S	S	.	.			trans	-121.1	121.4	173.7	-165.6	168.7	-168.9	167.9	2.2	110.3	Y75 K80 D140	Y75-R78 HydrophobicContact CD1-CB 4.19Å; Y75-R78 HydrophobicContact CD1-CG 4.11Å; Y75-R78 HydrophobicContact CG-CB 4.3Å; Y75-R78 HydrophobicContact CG-CG 4.41Å; R78-K80 PolarHBondContact O-N 3.18Å; R78-D140 WeakPolarHBondContact CA-OD1 3.28Å
79	R	84.5	Confident	92.9	Very high	103 Å²	103	87 Å²	87	39%	0.389	40%	0.402	S	S	.	.			trans	-69.2	125.9	172.8	-72.5	-69.7	-66.7	-121.5	-4.4	109.8	D81 N139 D140	R79-D81 IonicContact CZ-OD1 3.36Å; R79-D81 IonicContact CZ-OD2 3.56Å; R79-D81 IonicContact NE-OD1 2.73Å; R79-D81 PolarHBondContact NE-OD1 3.23Å; R79-D81 IonicContact NE-OD2 3.74Å; R79-D81 VanDerWaalsContact NH2-CG 3.31Å; R79-D81 IonicContact NH2-OD1 3.23Å; R79-D81 PolarHBondContact NH2-OD1 2.76Å; R79-D81 IonicContact NH2-OD2 2.64Å; R79-D81 PolarHBondContact NH2-OD2 3.32Å; R79-N139 HydrophobicContact CG-CB 4.39Å; R79-D140 PolarHBondContact N-OD1 2.9Å
80	K	82.2	Confident	93.1	Very high	207 Å²	207	86.9 Å²	86.9	90%	0.9	40%	0.401	S	S	*	.	S	Bend	trans	-76.6	-36.2	175.9	-67	-174.7	-180	-179.2	0	111.3	R78 C82	R78-K80 PolarHBondContact O-N 3.18Å; K80-C82 PolarHBondContact O-N 2.78Å; K80-C82 VanDerWaalsContact O-N 3.13Å
81	D	85.7	Confident	93.3	Very high	106 Å²	106	83.8 Å²	83.8	57%	0.567	38%	0.384	S	S	*	.			trans	-87.7	51	-178.5	64.1	-37.2	0	0	0	112.3	R79	R79-D81 IonicContact CZ-OD1 3.36Å; R79-D81 IonicContact CZ-OD2 3.56Å; R79-D81 IonicContact NE-OD1 2.73Å; R79-D81 PolarHBondContact NE-OD1 3.23Å; R79-D81 IonicContact NE-OD2 3.74Å; R79-D81 VanDerWaalsContact NH2-CG 3.31Å; R79-D81 IonicContact NH2-OD1 3.23Å; R79-D81 PolarHBondContact NH2-OD1 2.76Å; R79-D81 IonicContact NH2-OD2 2.64Å; R79-D81 PolarHBondContact NH2-OD2 3.32Å
82	C	88.8	Confident	93.3	Very high	29 Å²	29	82.1 Å²	82.1	20%	0.196	38%	0.376	C	S	.	.			trans	-97.6	98.6	178.8	-179.8	0	0	0	0	110.7	K80 R84 C137	K80-C82 PolarHBondContact O-N 2.78Å; K80-C82 VanDerWaalsContact O-N 3.13Å; C82-R84 VanDerWaalsContact C-N 3.33Å; C82-R84 PolarHBondContact O-N 2.73Å; C82-R84 PolarHBondContact SG-O 3.28Å; C82-R84 VanDerWaalsContact SG-O 3.38Å; C82-C137 HydrophobicContact CB-CB 3.69Å; C82-C137 WeakPolarHBondContact CB-SG 3.41Å; C82-C137 WeakPolarHBondContact SG-CB 3.5Å; C82-C137 CovalentContact SG-SG 2Å; C82-C137 PolarHBondContact SG-SG 3.24Å
83	A	86.9	Confident	93.4	Very high	112 Å²	112	77.6 Å²	77.6	93%	0.926	36%	0.358	S	S	*	.	S	Bend	trans	-62.6	-39	-179.4	0	0	0	0	0	112.7
84	R	91.8	Very high	93.4	Very high	115 Å²	115	74.7 Å²	74.7	43%	0.434	34%	0.34	S	S	.	.	S	Bend	trans	-138.2	124.1	177.4	177.2	179.5	166	155.9	-4.7	110.5	C82 D90 P180	C82-R84 VanDerWaalsContact C-N 3.33Å; C82-R84 PolarHBondContact O-N 2.73Å; C82-R84 PolarHBondContact SG-O 3.28Å; C82-R84 VanDerWaalsContact SG-O 3.38Å; R84-D90 IonicContact CZ-OD1 2.69Å; R84-D90 IonicContact CZ-OD2 3.91Å; R84-D90 IonicContact NE-OD2 2.76Å; R84-D90 VanDerWaalsContact NH2-CG 3.3Å; R84-D90 IonicContact NH2-OD1 3.49Å; R84-D90 PolarHBondContact NH2-OD1 2.88Å; R84-D90 IonicContact NH2-OD2 3.78Å; R84-D90 PolarHBondContact NH2-OD2 3.06Å; R84-P180 VanDerWaalsContact CZ-CB 3.44Å
85	R	94.4	Very high	93.5	Very high	64 Å²	64	69.4 Å²	69.4	24%	0.242	32%	0.318	C	S	.	.			trans	-83.8	150.4	171.8	-61.6	-174.1	170	-82.1	-11.4	110.6	K87 N135 V136	R85-K87 PolarHBondContact O-N 3.31Å; R85-N135 WeakPolarHBondContact CB-OD1 3.37Å; R85-N135 VanDerWaalsContact CD-CG 3.48Å; R85-N135 WeakPolarHBondContact CD-O 3.49Å; R85-N135 WeakPolarHBondContact CD-OD1 3.4Å; R85-N135 PolarHBondContact NH1-O 3Å; R85-V136 WeakPolarHBondContact CA-O 3.43Å
86	A	96.5	Very high	93.5	Very high	3 Å²	3	66.8 Å²	66.8	3%	0.025	31%	0.307	C	S	.	.			trans	-61.7	131.5	179.4	0	0	0	0	0	111.1	L120 N135 V136 V178	A86-L120 HydrophobicContact CB-CD1 3.61Å; A86-N135 WeakPolarHBondContact O-CA 3.14Å; A86-N135 PolarHBondContact O-N 2.93Å; A86-V136 HydrophobicContact CB-CG2 3.91Å; A86-V136 WeakPolarHBondContact CB-O 3.26Å; A86-V136 PolarHBondContact N-O 2.89Å; A86-V178 HydrophobicContact CB-CG1 3.59Å; A86-V178 HydrophobicContact CB-CG2 4.12Å
87	K	96	Very high	93.7	Very high	132 Å²	132	64.4 Å²	64.4	57%	0.574	30%	0.296	S	S	*	.			trans	-117.1	170.3	178.9	-65.7	-178	-177.8	-178.7	0	110.6	R85 D90	R85-K87 PolarHBondContact O-N 3.31Å; K87-D90 PolarHBondContact N-OD2 3.5Å; K87-D90 VanDerWaalsContact O-CB 3.31Å; K87-D90 WeakPolarHBondContact O-CB 3.32Å; K87-D90 PolarHBondContact O-N 3.19Å; K87-D90 VanDerWaalsContact O-N 3.15Å
88	R	95.8	Very high	93.8	Very high	58 Å²	58	57.2 Å²	57.2	22%	0.219	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	141.8	170.1	166.3	167	178	81	11.3	110.1	D90 K121 Q272 R273 D274	R88-D90 PolarHBondContact O-N 3Å; R88-K121 HydrophobicContact CB-CB 4.29Å; R88-K121 HydrophobicContact CB-CG 4.04Å; R88-K121 HydrophobicContact CG-CB 3.99Å; R88-K121 HydrophobicContact CG-CG 4.29Å; R88-K121 PolarHBondContact NH1-O 3.4Å; R88-Q272 VanDerWaalsContact CZ-CB 3.43Å; R88-Q272 PolarHBondContact NH2-O 2.83Å; R88-R273 PolarHBondContact NH2-O 2.91Å; R88-D274 IonicContact NH2-OD1 2.72Å
89	K	96.8	Very high	93.9	Very high	39 Å²	39	53.3 Å²	53.3	17%	0.17	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	-18.7	-174	-52.9	176.7	176.6	-176.4	0	115.9	Q119 L120 W181 P275	K89-Q119 WeakPolarHBondContact O-CG 3.27Å; K89-Q119 PolarHBondContact O-NE2 3.36Å; K89-L120 PolarHBondContact N-O 2.93Å; K89-W181 HydrophobicContact CB-CB 3.7Å; K89-W181 HydrophobicContact CB-CD2 4.17Å; K89-W181 HydrophobicContact CB-CG 3.62Å; K89-W181 HydrophobicContact CD-CD2 4.08Å; K89-W181 HydrophobicContact CD-CE3 4.25Å; K89-W181 HydrophobicContact CD-CG 4.43Å; K89-W181 WeakPolarHBondContact O-CB 3.43Å; K89-P275 HydrophobicContact CB-CB 4.48Å; K89-P275 HydrophobicContact CB-CG 4.1Å; K89-P275 HydrophobicContact CD-CB 4.04Å; K89-P275 HydrophobicContact CD-CG 4.29Å; K89-P275 HydrophobicContact CG-CB 4.16Å; K89-P275 HydrophobicContact CG-CG 3.85Å
90	D	97.8	Very high	94.4	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.011	25%	0.247	C	C	.	.			trans	-61.9	147.4	178.8	-69.2	-11.8	0	0	0	110.5	R84 K87 R88 L120 V178 E179 P180 W181	R84-D90 IonicContact CZ-OD1 2.69Å; R84-D90 IonicContact CZ-OD2 3.91Å; R84-D90 IonicContact NE-OD2 2.76Å; R84-D90 VanDerWaalsContact NH2-CG 3.3Å; R84-D90 IonicContact NH2-OD1 3.49Å; R84-D90 PolarHBondContact NH2-OD1 2.88Å; R84-D90 IonicContact NH2-OD2 3.78Å; R84-D90 PolarHBondContact NH2-OD2 3.06Å; K87-D90 PolarHBondContact N-OD2 3.5Å; K87-D90 VanDerWaalsContact O-CB 3.31Å; K87-D90 WeakPolarHBondContact O-CB 3.32Å; K87-D90 PolarHBondContact O-N 3.19Å; K87-D90 VanDerWaalsContact O-N 3.15Å; R88-D90 PolarHBondContact O-N 3Å; D90-L120 HydrophobicContact CB-CD1 4.48Å; D90-L120 PolarHBondContact O-N 3.06Å; D90-V178 HydrophobicContact CB-CG1 4.46Å; D90-E179 WeakPolarHBondContact CA-O 3.45Å; D90-E179 WeakPolarHBondContact CB-O 3.29Å; D90-P180 WeakPolarHBondContact OD1-CA 3.26Å; D90-W181 PolarHBondContact OD1-N 3.11Å
91	F	97.9	Very high	94.8	Very high	10 Å²	10	45.7 Å²	45.7	4%	0.044	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.2	172.3	-67.9	-90	0	0	0	108.8	Q119 V178 E179 L185 E189	F91-Q119 HydrophobicContact CD1-CB 4.19Å; F91-Q119 HydrophobicContact CD1-CG 4.28Å; F91-Q119 HydrophobicContact CE1-CB 4.06Å; F91-Q119 HydrophobicContact CE1-CG 4.07Å; F91-Q119 HydrophobicContact CZ-CG 4.2Å; F91-V178 WeakPolarHBondContact O-CA 3.34Å; F91-E179 HydrophobicContact CB-CB 4.13Å; F91-E179 PolarHBondContact N-O 3.39Å; F91-E179 PolarHBondContact O-N 2.78Å; F91-L185 HydrophobicContact CD2-CD2 3.57Å; F91-L185 HydrophobicContact CD2-CG 4.07Å; F91-L185 HydrophobicContact CE2-CD2 3.91Å; F91-L185 HydrophobicContact CE2-CG 3.92Å; F91-L185 HydrophobicContact CG-CD2 4.48Å; F91-E189 HydrophobicContact CE1-CB 4.39Å; F91-E189 HydrophobicContact CE1-CG 3.83Å; F91-E189 HydrophobicContact CE2-CG 4.36Å; F91-E189 HydrophobicContact CZ-CB 4.23Å; F91-E189 HydrophobicContact CZ-CG 3.71Å
92	I	97.7	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.1	176.8	-168.1	166.4	0	0	0	109.5	F94 R117 I118 L120 L133 V136 V175 V178	I92-F94 HydrophobicContact CG1-CD1 4.34Å; I92-F94 HydrophobicContact CG2-CD1 4.16Å; I92-F94 HydrophobicContact CG2-CE1 4.29Å; I92-R117 WeakPolarHBondContact O-CA 3.48Å; I92-I118 HydrophobicContact CG2-CD1 3.68Å; I92-I118 HydrophobicContact CG2-CG1 3.67Å; I92-I118 PolarHBondContact N-O 2.94Å; I92-I118 PolarHBondContact O-N 2.93Å; I92-L120 HydrophobicContact CB-CD1 4.37Å; I92-L120 HydrophobicContact CB-CD2 4.42Å; I92-L120 HydrophobicContact CB-CG 4.23Å; I92-L120 HydrophobicContact CG2-CD1 4.45Å; I92-L120 HydrophobicContact CG2-CD2 3.66Å; I92-L120 HydrophobicContact CG2-CG 3.84Å; I92-L133 HydrophobicContact CD1-CB 4.17Å; I92-L133 HydrophobicContact CD1-CD1 4.47Å; I92-L133 HydrophobicContact CD1-CD2 3.97Å; I92-L133 HydrophobicContact CD1-CG 4.43Å; I92-L133 HydrophobicContact CG2-CD1 4.45Å; I92-V136 HydrophobicContact CD1-CG2 3.46Å; I92-V136 VanDerWaalsContact CD1-CG2 3.46Å; I92-V175 HydrophobicContact CD1-CG1 3.89Å; I92-V175 HydrophobicContact CD1-CG2 4.21Å; I92-V175 HydrophobicContact CG1-CG1 3.98Å; I92-V178 HydrophobicContact CD1-CG2 4.42Å; I92-V178 HydrophobicContact CG1-CG2 4.3Å
93	T	97.8	Very high	95.1	Very high	20 Å²	20	47.5 Å²	47.5	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.3	174.2	-54.3	0	0	0	0	108.3	P115 I116 R117 L176 N177	T93-P115 HydrophobicContact CG2-CB 3.81Å; T93-P115 HydrophobicContact CG2-CG 4Å; T93-I116 CarbonylContact C-O 3.44Å; T93-I116 VanDerWaalsContact CA-O 3.27Å; T93-I116 WeakPolarHBondContact CA-O 3.18Å; T93-R117 PolarHBondContact OG1-NH1 2.96Å; T93-L176 HydrophobicContact CG2-CD1 4.34Å; T93-L176 WeakPolarHBondContact O-CA 3.24Å; T93-L176 WeakPolarHBondContact O-CB 3.33Å; T93-L176 PolarHBondContact O-N 3.42Å; T93-N177 PolarHBondContact N-O 2.93Å; T93-N177 PolarHBondContact O-N 2.68Å; T93-N177 VanDerWaalsContact O-N 3.08Å
94	F	97.9	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.6	-176.5	63.9	-85.8	0	0	0	112.3	I92 Y96 I116 I118 I125 L133 V173 N174	I92-F94 HydrophobicContact CG1-CD1 4.34Å; I92-F94 HydrophobicContact CG2-CD1 4.16Å; I92-F94 HydrophobicContact CG2-CE1 4.29Å; F94-Y96 HydrophobicContact CD2-CD1 4.46Å; F94-Y96 AromaticContact CE2-CD1 3.89Å; F94-Y96 HydrophobicContact CE2-CD1 3.89Å; F94-Y96 HydrophobicContact CE2-CG 4.38Å; F94-I116 HydrophobicContact CE1-CB 4.08Å; F94-I116 HydrophobicContact CE1-CG2 3.97Å; F94-I116 HydrophobicContact CE2-CB 4.02Å; F94-I116 HydrophobicContact CE2-CG1 4.39Å; F94-I116 HydrophobicContact CE2-CG2 4.41Å; F94-I116 HydrophobicContact CZ-CB 3.75Å; F94-I116 HydrophobicContact CZ-CG1 4.46Å; F94-I116 HydrophobicContact CZ-CG2 3.69Å; F94-I116 PolarHBondContact N-O 3.46Å; F94-I116 PolarHBondContact O-N 2.88Å; F94-I118 HydrophobicContact CE1-CG1 3.75Å; F94-I125 HydrophobicContact CE1-CD1 4.13Å; F94-I125 HydrophobicContact CE2-CD1 4.32Å; F94-I125 HydrophobicContact CZ-CD1 3.48Å; F94-I125 VanDerWaalsContact CZ-CD1 3.48Å; F94-L133 HydrophobicContact CD1-CD1 4.25Å; F94-L133 HydrophobicContact CE1-CD1 3.94Å; F94-L133 HydrophobicContact CZ-CD1 4.29Å; F94-V173 HydrophobicContact CB-CG1 3.9Å; F94-V173 HydrophobicContact CD2-CG1 3.58Å; F94-V173 HydrophobicContact CE2-CG1 4.39Å; F94-V173 HydrophobicContact CG-CG1 3.89Å; F94-N174 CarbonylContact C-O 3.58Å; F94-N174 WeakPolarHBondContact CA-O 3.41Å; F94-N174 VanDerWaalsContact CB-O 3.26Å; F94-N174 WeakPolarHBondContact CB-O 3.36Å
95	H	98	Very high	95.7	Very high	26 Å²	26	45.1 Å²	45.1	12%	0.12	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	151.8	159.4	-82.1	-62.7	0	0	0	109.9	S109 Y110 V173 N174	H95-S109 VanDerWaalsContact CA-OG 3.28Å; H95-S109 WeakPolarHBondContact CA-OG 3.4Å; H95-S109 WeakPolarHBondContact CB-OG 3.43Å; H95-S109 PolarHBondContact ND1-OG 2.95Å; H95-Y110 HydrophobicContact CB-CD1 4.34Å; H95-Y110 HydrophobicContact CB-CD2 4.4Å; H95-Y110 HydrophobicContact CB-CE1 3.64Å; H95-Y110 HydrophobicContact CB-CE2 3.7Å; H95-Y110 VanDerWaalsContact CB-OH 3.29Å; H95-Y110 WeakPolarHBondContact CB-OH 3.36Å; H95-Y110 AromaticContact CD2-CE1 3.52Å; H95-Y110 AromaticContact CG-CD1 3.92Å; H95-Y110 AromaticContact CG-CE1 3.46Å; H95-Y110 VanDerWaalsContact CG-CE1 3.46Å; H95-Y110 AromaticContact CG-CZ 3.69Å; H95-Y110 AromaticContact ND1-CD1 3.95Å; H95-Y110 AromaticContact ND1-CE1 3.98Å; H95-V173 WeakPolarHBondContact O-CA 3.49Å; H95-N174 PolarHBondContact N-O 3.34Å; H95-N174 PolarHBondContact O-N 3.25Å
96	Y	96.9	Very high	95.7	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.7	171.7	77.2	-82.8	0	0	0	112.7	F94 D107 S108 S109 I116 W159 F171 E172	F94-Y96 HydrophobicContact CD2-CD1 4.46Å; F94-Y96 AromaticContact CE2-CD1 3.89Å; F94-Y96 HydrophobicContact CE2-CD1 3.89Å; F94-Y96 HydrophobicContact CE2-CG 4.38Å; Y96-D107 HydrophobicContact CE2-CB 4.15Å; Y96-D107 PolarHBondContact OH-OD2 3.32Å; Y96-S108 WeakPolarHBondContact O-CA 3.26Å; Y96-S109 PolarHBondContact N-OG 3.5Å; Y96-S109 PolarHBondContact O-N 3.07Å; Y96-S109 PolarHBondContact O-OG 3.47Å; Y96-S109 VanDerWaalsContact O-OG 3.06Å; Y96-I116 HydrophobicContact CD1-CG1 3.94Å; Y96-I116 HydrophobicContact CE1-CD1 4.31Å; Y96-I116 HydrophobicContact CE1-CG1 3.7Å; Y96-W159 HydrophobicContact CE1-CZ3 4.16Å; Y96-F171 AromaticContact CD2-CD1 3.92Å; Y96-F171 HydrophobicContact CD2-CD1 3.92Å; Y96-F171 HydrophobicContact CD2-CE1 4.14Å; Y96-F171 HydrophobicContact CE2-CE1 4.3Å; Y96-E172 CarbonylContact C-O 3.48Å; Y96-E172 WeakPolarHBondContact CA-O 3.34Å
97	E	96.9	Very high	95.5	Very high	56 Å²	56	43.7 Å²	43.7	26%	0.262	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.8	160.9	-53.6	-152.8	128.3	0	0	108.8	L105 S108 Y110 F171 E172	E97-L105 HydrophobicContact CB-CD1 3.85Å; E97-S108 PolarHBondContact OE1-OG 3.33Å; E97-S108 VanDerWaalsContact OE1-OG 3.04Å; E97-Y110 HydrophobicContact CG-CD2 3.78Å; E97-Y110 HydrophobicContact CG-CE2 3.95Å; E97-F171 CarbonylContact O-C 3.52Å; E97-F171 VanDerWaalsContact O-CA 3.3Å; E97-F171 WeakPolarHBondContact O-CA 3.41Å; E97-E172 PolarHBondContact N-O 2.82Å; E97-E172 PolarHBondContact O-N 2.98Å
98	G	96.2	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.3	-179.5	0	0	0	0	0	110.3	L105 F106 D107 T170	G98-L105 WeakPolarHBondContact O-CA 3.34Å; G98-L105 WeakPolarHBondContact O-CD1 3.37Å; G98-F106 VanDerWaalsContact CA-CE1 3.41Å; G98-F106 WeakPolarHBondContact O-CD1 3.5Å; G98-F106 WeakPolarHBondContact O-CE1 3.38Å; G98-F106 PolarHBondContact O-N 3.37Å; G98-D107 PolarHBondContact N-O 3.15Å; G98-D107 PolarHBondContact O-N 3.14Å; G98-T170 WeakPolarHBondContact CA-O 3.45Å
99	H	96.3	Very high	95.5	Very high	33 Å²	33	34.8 Å²	34.8	15%	0.153	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.5	-178.4	-57.3	95.4	0	0	0	110.8	G103 L104 L105 I169 T170	H99-G103 PolarHBondContact CD2-O 2.78Å; H99-L104 CarbonylContact C-O 3.53Å; H99-L104 VanDerWaalsContact CA-O 3.28Å; H99-L104 WeakPolarHBondContact CA-O 3.45Å; H99-L105 WeakPolarHBondContact NE2-CD1 3.41Å; H99-I169 WeakPolarHBondContact O-CG2 3.46Å; H99-T170 PolarHBondContact N-O 3.5Å; H99-T170 PolarHBondContact O-N 3.3Å
100	L	94.3	Very high	95.4	Very high	41 Å²	41	37.4 Å²	37.4	22%	0.215	20%	0.195	C	C	.	.			trans	-70.7	172.6	168.7	-59.5	-178.4	0	0	0	110.5	D102 G103 L104 F106 P163	L100-D102 VanDerWaalsContact CB-OD1 3.28Å; L100-D102 WeakPolarHBondContact CB-OD1 3.31Å; L100-D102 PolarHBondContact O-N 2.89Å; L100-G103 WeakPolarHBondContact O-CA 3.42Å; L100-G103 PolarHBondContact O-N 2.8Å; L100-L104 HydrophobicContact CB-CB 4.45Å; L100-L104 HydrophobicContact CD1-CB 4.3Å; L100-L104 HydrophobicContact CD1-CD2 4.17Å; L100-L104 PolarHBondContact N-O 2.85Å; L100-F106 HydrophobicContact CD2-CB 4.24Å; L100-F106 HydrophobicContact CD2-CD1 3.91Å; L100-F106 HydrophobicContact CD2-CG 4.26Å; L100-F106 HydrophobicContact CG-CB 4.28Å; L100-F106 HydrophobicContact CG-CD1 4.29Å; L100-P163 HydrophobicContact CD2-CB 3.77Å; L100-P163 HydrophobicContact CD2-CG 3.58Å
101	E	89.7	Confident	95.1	Very high	109 Å²	109	42.2 Å²	42.2	51%	0.509	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.5	-179.2	-170.7	163.8	-156.8	0	0	113.2	R58 G103 H167 W168	R58-E101 IonicContact NH2-OE2 3.9Å; E101-G103 PolarHBondContact O-N 3.32Å; E101-H167 HydrophobicContact CB-CB 4.49Å; E101-H167 IonicContact OE2-CE1 3.76Å; E101-H167 IonicContact OE2-CG 3.6Å; E101-H167 IonicContact OE2-ND1 2.73Å; E101-H167 PolarHBondContact OE2-ND1 3.22Å; E101-W168 PolarHBondContact N-O 3.26Å
102	D	89.9	Confident	94.7	Very high	125 Å²	125	46 Å²	46	67%	0.668	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.2	173.7	65.2	-1.1	0	0	0	113.8	L100 L104	L100-D102 VanDerWaalsContact CB-OD1 3.28Å; L100-D102 WeakPolarHBondContact CB-OD1 3.31Å; L100-D102 PolarHBondContact O-N 2.89Å; D102-L104 WeakPolarHBondContact OD1-CB 3.45Å; D102-L104 PolarHBondContact OD1-N 3.36Å
103	G	92.7	Very high	94.3	Very high	48 Å²	48	55.1 Å²	55.1	50%	0.495	29%	0.285	S	S	.	.	S	Bend	trans	86.6	-0.2	-177.3	0	0	0	0	0	114.7	H99 L100 E101 L105	H99-G103 PolarHBondContact CD2-O 2.78Å; L100-G103 WeakPolarHBondContact O-CA 3.42Å; L100-G103 PolarHBondContact O-N 2.8Å; E101-G103 PolarHBondContact O-N 3.32Å; G103-L105 PolarHBondContact O-N 3.3Å
104	L	94.9	Very high	94.1	Very high	106 Å²	106	56.5 Å²	56.5	56%	0.555	30%	0.295	S	S	*	.			trans	-68.6	127.1	179.4	-176.8	68	0	0	0	111.4	H99 L100 D102 F106	H99-L104 CarbonylContact C-O 3.53Å; H99-L104 VanDerWaalsContact CA-O 3.28Å; H99-L104 WeakPolarHBondContact CA-O 3.45Å; L100-L104 HydrophobicContact CB-CB 4.45Å; L100-L104 HydrophobicContact CD1-CB 4.3Å; L100-L104 HydrophobicContact CD1-CD2 4.17Å; L100-L104 PolarHBondContact N-O 2.85Å; D102-L104 WeakPolarHBondContact OD1-CB 3.45Å; D102-L104 PolarHBondContact OD1-N 3.36Å; L104-F106 PolarHBondContact O-N 2.74Å
105	L	95.2	Very high	94	Very high	71 Å²	71	58.7 Å²	58.7	37%	0.372	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.5	173.2	-176.1	76.9	0	0	0	110.6	E97 G98 H99 G103 D107	E97-L105 HydrophobicContact CB-CD1 3.85Å; G98-L105 WeakPolarHBondContact O-CA 3.34Å; G98-L105 WeakPolarHBondContact O-CD1 3.37Å; H99-L105 WeakPolarHBondContact NE2-CD1 3.41Å; G103-L105 PolarHBondContact O-N 3.3Å; L105-D107 WeakPolarHBondContact CD1-O 3.46Å
106	F	93.9	Very high	93.9	Very high	28 Å²	28	57.7 Å²	57.7	12%	0.123	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-27	175.7	75.8	-90.8	0	0	0	112.8	G98 L100 L104 R161 F162 I169 F171	G98-F106 VanDerWaalsContact CA-CE1 3.41Å; G98-F106 WeakPolarHBondContact O-CD1 3.5Å; G98-F106 WeakPolarHBondContact O-CE1 3.38Å; G98-F106 PolarHBondContact O-N 3.37Å; L100-F106 HydrophobicContact CD2-CB 4.24Å; L100-F106 HydrophobicContact CD2-CD1 3.91Å; L100-F106 HydrophobicContact CD2-CG 4.26Å; L100-F106 HydrophobicContact CG-CB 4.28Å; L100-F106 HydrophobicContact CG-CD1 4.29Å; L104-F106 PolarHBondContact O-N 2.74Å; F106-R161 HydrophobicContact CD2-CB 4.32Å; F106-R161 WeakPolarHBondContact CD2-O 3.35Å; F106-R161 WeakPolarHBondContact O-CD 3.32Å; F106-F162 HydrophobicContact CE2-CD2 4.07Å; F106-F162 HydrophobicContact CE2-CE2 4.22Å; F106-F162 HydrophobicContact CE2-CG 4.24Å; F106-F162 HydrophobicContact CZ-CZ 4.48Å; F106-I169 HydrophobicContact CD1-CG2 4.41Å; F106-I169 HydrophobicContact CE1-CG2 3.35Å; F106-I169 HydrophobicContact CZ-CG2 3.78Å; F106-F171 AromaticContact CZ-CE1 3.93Å; F106-F171 HydrophobicContact CZ-CE1 3.93Å; F106-F171 AromaticContact CZ-CZ 3.93Å; F106-F171 HydrophobicContact CZ-CZ 3.93Å
107	D	93.5	Very high	93.9	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.043	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	148.3	-178.2	-162	7.5	0	0	0	111.4	Y96 G98 L105 R161	Y96-D107 HydrophobicContact CE2-CB 4.15Å; Y96-D107 PolarHBondContact OH-OD2 3.32Å; G98-D107 PolarHBondContact N-O 3.15Å; G98-D107 PolarHBondContact O-N 3.14Å; L105-D107 WeakPolarHBondContact CD1-O 3.46Å; D107-R161 HydrophobicContact CB-CB 4.02Å; D107-R161 IonicContact OD1-CZ 3.03Å; D107-R161 IonicContact OD1-NE 2.79Å; D107-R161 PolarHBondContact OD1-NE 3.43Å; D107-R161 IonicContact OD1-NH2 2.62Å; D107-R161 PolarHBondContact OD1-NH2 3.35Å
108	S	95.3	Very high	93.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	132.4	174.5	168.3	0	0	0	0	109.4	Y96 E97 Y110 N111	Y96-S108 WeakPolarHBondContact O-CA 3.26Å; E97-S108 PolarHBondContact OE1-OG 3.33Å; E97-S108 VanDerWaalsContact OE1-OG 3.04Å; S108-Y110 PolarHBondContact O-N 3.49Å; S108-Y110 WeakPolarHBondContact OG-CB 3.49Å; S108-Y110 WeakPolarHBondContact OG-CD2 3.47Å; S108-Y110 PolarHBondContact OG-N 3.12Å; S108-N111 WeakPolarHBondContact O-CB 3.33Å; S108-N111 PolarHBondContact O-N 3.1Å
109	S	95.3	Very high	94	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.021	30%	0.303	C	S	.	.	S	Bend	trans	-66.4	-26.9	174.3	62.4	0	0	0	0	112.3	H95 Y96 N111 T112 K113	H95-S109 VanDerWaalsContact CA-OG 3.28Å; H95-S109 WeakPolarHBondContact CA-OG 3.4Å; H95-S109 WeakPolarHBondContact CB-OG 3.43Å; H95-S109 PolarHBondContact ND1-OG 2.95Å; Y96-S109 PolarHBondContact N-OG 3.5Å; Y96-S109 PolarHBondContact O-N 3.07Å; Y96-S109 PolarHBondContact O-OG 3.47Å; Y96-S109 VanDerWaalsContact O-OG 3.06Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact O-N 3.14Å; S109-T112 PolarHBondContact O-N 3.13Å; S109-T112 VanDerWaalsContact O-N 3.14Å; S109-T112 PolarHBondContact O-OG1 2.91Å; S109-K113 PolarHBondContact O-N 3.45Å
110	Y	95.4	Very high	94	Very high	93 Å²	93	56.3 Å²	56.3	37%	0.365	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-63.9	-32.1	177.9	-64.3	-74.7	0	0	0	112	H95 E97 S108 T112 K113 N174	H95-Y110 HydrophobicContact CB-CD1 4.34Å; H95-Y110 HydrophobicContact CB-CD2 4.4Å; H95-Y110 HydrophobicContact CB-CE1 3.64Å; H95-Y110 HydrophobicContact CB-CE2 3.7Å; H95-Y110 VanDerWaalsContact CB-OH 3.29Å; H95-Y110 WeakPolarHBondContact CB-OH 3.36Å; H95-Y110 AromaticContact CD2-CE1 3.52Å; H95-Y110 AromaticContact CG-CD1 3.92Å; H95-Y110 AromaticContact CG-CE1 3.46Å; H95-Y110 VanDerWaalsContact CG-CE1 3.46Å; H95-Y110 AromaticContact CG-CZ 3.69Å; H95-Y110 AromaticContact ND1-CD1 3.95Å; H95-Y110 AromaticContact ND1-CE1 3.98Å; E97-Y110 HydrophobicContact CG-CD2 3.78Å; E97-Y110 HydrophobicContact CG-CE2 3.95Å; S108-Y110 PolarHBondContact O-N 3.49Å; S108-Y110 WeakPolarHBondContact OG-CB 3.49Å; S108-Y110 WeakPolarHBondContact OG-CD2 3.47Å; S108-Y110 PolarHBondContact OG-N 3.12Å; Y110-T112 PolarHBondContact O-N 3.05Å; Y110-K113 PolarHBondContact O-N 3.41Å; Y110-N174 PolarHBondContact OH-ND2 2.76Å
111	N	92	Very high	94.1	Very high	104 Å²	104	57.3 Å²	57.3	56%	0.556	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60	-31.3	175.3	-71.1	-30	0	0	0	113	S108 S109	S108-N111 WeakPolarHBondContact O-CB 3.33Å; S108-N111 PolarHBondContact O-N 3.1Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact O-N 3.14Å
112	T	89.4	Confident	94.3	Very high	88 Å²	88	52.1 Å²	52.1	54%	0.54	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-94.4	-1.1	176.6	60.7	0	0	0	0	113.4	S109 Y110 S114	S109-T112 PolarHBondContact O-N 3.13Å; S109-T112 VanDerWaalsContact O-N 3.14Å; S109-T112 PolarHBondContact O-OG1 2.91Å; Y110-T112 PolarHBondContact O-N 3.05Å; T112-S114 PolarHBondContact O-N 2.93Å
113	K	89.5	Confident	94.5	Very high	192 Å²	192	47.5 Å²	47.5	84%	0.835	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	25.7	-174.5	-57.2	-178	-178.3	179.5	0	114	S109 Y110	S109-K113 PolarHBondContact O-N 3.45Å; Y110-K113 PolarHBondContact O-N 3.41Å
114	S	92.6	Very high	94.6	Very high	49 Å²	49	45.8 Å²	45.8	34%	0.343	24%	0.236	S	C	.	.			trans	-130.4	118	-175	-177	0	0	0	0	108.9	T112	T112-S114 PolarHBondContact O-N 2.93Å
115	P	96.7	Very high	94.7	Very high	47 Å²	47	40.9 Å²	40.9	31%	0.305	21%	0.21	S	C	.	.			trans	-67.4	158.1	175.4	29.4	-34.5	0	0	0	110.8	T93 L176	T93-P115 HydrophobicContact CG2-CB 3.81Å; T93-P115 HydrophobicContact CG2-CG 4Å; P115-L176 HydrophobicContact CB-CD1 3.68Å; P115-L176 HydrophobicContact CG-CD1 4.24Å
116	I	96.2	Very high	94.7	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.9	174.5	-55.1	-55.1	0	0	0	108.6	T93 F94 Y96 I118 K158 W159 Y214	T93-I116 CarbonylContact C-O 3.44Å; T93-I116 VanDerWaalsContact CA-O 3.27Å; T93-I116 WeakPolarHBondContact CA-O 3.18Å; F94-I116 HydrophobicContact CE1-CB 4.08Å; F94-I116 HydrophobicContact CE1-CG2 3.97Å; F94-I116 HydrophobicContact CE2-CB 4.02Å; F94-I116 HydrophobicContact CE2-CG1 4.39Å; F94-I116 HydrophobicContact CE2-CG2 4.41Å; F94-I116 HydrophobicContact CZ-CB 3.75Å; F94-I116 HydrophobicContact CZ-CG1 4.46Å; F94-I116 HydrophobicContact CZ-CG2 3.69Å; F94-I116 PolarHBondContact N-O 3.46Å; F94-I116 PolarHBondContact O-N 2.88Å; Y96-I116 HydrophobicContact CD1-CG1 3.94Å; Y96-I116 HydrophobicContact CE1-CD1 4.31Å; Y96-I116 HydrophobicContact CE1-CG1 3.7Å; I116-I118 HydrophobicContact CG2-CG2 3.9Å; I116-K158 HydrophobicContact CD1-CD 3.7Å; I116-K158 HydrophobicContact CD1-CG 4.35Å; I116-W159 HydrophobicContact CG2-CH2 4.07Å; I116-W159 HydrophobicContact CG2-CZ2 4.41Å; I116-Y214 HydrophobicContact CG2-CE1 4.46Å
117	R	96.7	Very high	94.7	Very high	57 Å²	57	39 Å²	39	22%	0.215	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.5	169.5	-176.7	-178.4	-177.2	84.2	-13.1	108.6	I92 T93 E179 E189 Y214	I92-R117 WeakPolarHBondContact O-CA 3.48Å; T93-R117 PolarHBondContact OG1-NH1 2.96Å; R117-E179 IonicContact CZ-OE1 2.99Å; R117-E179 IonicContact CZ-OE2 3.56Å; R117-E179 IonicContact NH1-OE1 2.92Å; R117-E179 IonicContact NH1-OE2 2.7Å; R117-E179 PolarHBondContact NH1-OE2 3.45Å; R117-E179 IonicContact NH2-OE1 3.76Å; R117-E179 PolarHBondContact NH2-OE1 3.32Å; R117-E179 IonicContact NH2-OE2 3.75Å; R117-E189 IonicContact CZ-OE1 2.88Å; R117-E189 VanDerWaalsContact CZ-OE1 3.24Å; R117-E189 IonicContact NE-OE1 3.87Å; R117-E189 PolarHBondContact NE-OE1 3.2Å; R117-E189 IonicContact NE-OE2 3.77Å; R117-E189 IonicContact NH2-OE1 3.91Å; R117-E189 PolarHBondContact NH2-OE1 3.47Å; R117-Y214 PolarHBondContact O-OH 3.28Å
118	I	96.9	Very high	94.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159.2	174.5	55.8	112.7	0	0	0	111	I92 F94 I116 L120 L124 I125 Y214	I92-I118 HydrophobicContact CG2-CD1 3.68Å; I92-I118 HydrophobicContact CG2-CG1 3.67Å; I92-I118 PolarHBondContact N-O 2.94Å; I92-I118 PolarHBondContact O-N 2.93Å; F94-I118 HydrophobicContact CE1-CG1 3.75Å; I116-I118 HydrophobicContact CG2-CG2 3.9Å; I118-L120 HydrophobicContact CD1-CD2 3.96Å; I118-L124 HydrophobicContact CB-CB 3.99Å; I118-L124 HydrophobicContact CG2-CB 3.83Å; I118-I125 HydrophobicContact CD1-CB 4.07Å; I118-I125 HydrophobicContact CD1-CD1 4.46Å; I118-I125 HydrophobicContact CD1-CG2 3.72Å; I118-I125 HydrophobicContact CG1-CB 4.5Å; I118-Y214 HydrophobicContact CG2-CD1 3.87Å; I118-Y214 HydrophobicContact CG2-CE1 3.44Å; I118-Y214 VanDerWaalsContact CG2-CE1 3.44Å
119	Q	97.4	Very high	94.9	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.023	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.4	170.5	-159.2	172.8	24.6	0	0	110.8	K89 F91 V122 L124 W181 P275	K89-Q119 WeakPolarHBondContact O-CG 3.27Å; K89-Q119 PolarHBondContact O-NE2 3.36Å; F91-Q119 HydrophobicContact CD1-CB 4.19Å; F91-Q119 HydrophobicContact CD1-CG 4.28Å; F91-Q119 HydrophobicContact CE1-CB 4.06Å; F91-Q119 HydrophobicContact CE1-CG 4.07Å; F91-Q119 HydrophobicContact CZ-CG 4.2Å; Q119-V122 HydrophobicContact CB-CB 4.11Å; Q119-V122 HydrophobicContact CB-CG2 3.91Å; Q119-V122 HydrophobicContact CG-CB 4.42Å; Q119-V122 HydrophobicContact CG-CG2 3.68Å; Q119-V122 PolarHBondContact O-N 3.47Å; Q119-L124 HydrophobicContact CB-CD1 4.02Å; Q119-W181 VanDerWaalsContact NE2-CD1 3.29Å; Q119-P275 HydrophobicContact CG-CG 4.42Å
120	L	97.4	Very high	95	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	134.6	-171.7	-74.1	177.5	0	0	0	112.8	A86 K89 D90 I92 I118 V122 L133	A86-L120 HydrophobicContact CB-CD1 3.61Å; K89-L120 PolarHBondContact N-O 2.93Å; D90-L120 HydrophobicContact CB-CD1 4.48Å; D90-L120 PolarHBondContact O-N 3.06Å; I92-L120 HydrophobicContact CB-CD1 4.37Å; I92-L120 HydrophobicContact CB-CD2 4.42Å; I92-L120 HydrophobicContact CB-CG 4.23Å; I92-L120 HydrophobicContact CG2-CD1 4.45Å; I92-L120 HydrophobicContact CG2-CD2 3.66Å; I92-L120 HydrophobicContact CG2-CG 3.84Å; I118-L120 HydrophobicContact CD1-CD2 3.96Å; L120-V122 PolarHBondContact O-N 3.5Å; L120-L133 HydrophobicContact CD2-CB 3.67Å; L120-L133 HydrophobicContact CD2-CD1 4.47Å
121	K	95.5	Very high	95	Very high	63 Å²	63	38.7 Å²	38.7	27%	0.274	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	16.3	179.6	-47.6	-63.5	-173.9	-175.5	0	114.7	R88 D130 R271	R88-K121 HydrophobicContact CB-CB 4.29Å; R88-K121 HydrophobicContact CB-CG 4.04Å; R88-K121 HydrophobicContact CG-CB 3.99Å; R88-K121 HydrophobicContact CG-CG 4.29Å; R88-K121 PolarHBondContact NH1-O 3.4Å; K121-D130 WeakPolarHBondContact CA-OD1 2.77Å; K121-D130 VanDerWaalsContact CA-OD2 3.22Å; K121-D130 WeakPolarHBondContact CA-OD2 2.99Å; K121-D130 WeakPolarHBondContact CE-O 3.42Å; K121-D130 PolarHBondContact N-OD1 3.23Å; K121-D130 PolarHBondContact N-OD2 3.34Å; K121-D130 VanDerWaalsContact NZ-C 3.31Å; K121-D130 PolarHBondContact NZ-O 3.06Å; K121-R271 PolarHBondContact O-NH1 3.23Å
122	V	95.1	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-1.1	179.5	178.9	0	0	0	0	111.8	Q119 L120 L124 K216 R271 D274 P275	Q119-V122 HydrophobicContact CB-CB 4.11Å; Q119-V122 HydrophobicContact CB-CG2 3.91Å; Q119-V122 HydrophobicContact CG-CB 4.42Å; Q119-V122 HydrophobicContact CG-CG2 3.68Å; Q119-V122 PolarHBondContact O-N 3.47Å; L120-V122 PolarHBondContact O-N 3.5Å; V122-L124 HydrophobicContact CG1-CG 4.43Å; V122-K216 WeakPolarHBondContact O-CE 3.5Å; V122-K216 PolarHBondContact O-NZ 3.41Å; V122-K216 VanDerWaalsContact O-NZ 3.14Å; V122-R271 PolarHBondContact O-NH1 2.7Å; V122-D274 HydrophobicContact CG1-CB 4.48Å; V122-P275 HydrophobicContact CG2-CG 3.84Å
123	G	93.8	Very high	95.6	Very high	27 Å²	27	29.8 Å²	29.8	28%	0.278	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	28.8	178.9	0	0	0	0	0	113.4	R153	G123-R153 VanDerWaalsContact C-NH1 3.35Å; G123-R153 VanDerWaalsContact O-CZ 3.25Å; G123-R153 PolarHBondContact O-NH1 3.26Å; G123-R153 PolarHBondContact O-NH2 2.98Å
124	L	95.1	Very high	95.7	Very high	13 Å²	13	21.8 Å²	21.8	7%	0.068	13%	0.127	C	C	.	.	S	Bend	trans	-92.6	-10.1	176.6	-64	178.7	0	0	0	114.3	I118 Q119 V122 R153 W159 E210 Y214 K216	I118-L124 HydrophobicContact CB-CB 3.99Å; I118-L124 HydrophobicContact CG2-CB 3.83Å; Q119-L124 HydrophobicContact CB-CD1 4.02Å; V122-L124 HydrophobicContact CG1-CG 4.43Å; L124-R153 PolarHBondContact O-NH2 2.93Å; L124-R153 VanDerWaalsContact O-NH2 3.11Å; L124-W159 WeakPolarHBondContact O-CZ2 3.49Å; L124-W159 PolarHBondContact O-NE1 3.03Å; L124-E210 HydrophobicContact CD2-CB 4.39Å; L124-E210 HydrophobicContact CD2-CG 4.02Å; L124-Y214 HydrophobicContact CB-CD1 4.26Å; L124-Y214 HydrophobicContact CB-CG 4.24Å; L124-Y214 HydrophobicContact CD2-CD2 4.12Å; L124-Y214 HydrophobicContact CD2-CG 4.05Å; L124-Y214 VanDerWaalsContact O-CD1 3.25Å; L124-Y214 WeakPolarHBondContact O-CD1 3.49Å; L124-K216 HydrophobicContact CD2-CB 4.17Å; L124-K216 HydrophobicContact CD2-CD 3.75Å
125	I	95.6	Very high	95.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-131.1	164.3	176.1	-166.3	166.9	0	0	0	112	F94 I118 L129 D130 L133 R153 W159	F94-I125 HydrophobicContact CE1-CD1 4.13Å; F94-I125 HydrophobicContact CE2-CD1 4.32Å; F94-I125 HydrophobicContact CZ-CD1 3.48Å; F94-I125 VanDerWaalsContact CZ-CD1 3.48Å; I118-I125 HydrophobicContact CD1-CB 4.07Å; I118-I125 HydrophobicContact CD1-CD1 4.46Å; I118-I125 HydrophobicContact CD1-CG2 3.72Å; I118-I125 HydrophobicContact CG1-CB 4.5Å; I125-L129 HydrophobicContact CD1-CB 3.59Å; I125-L129 HydrophobicContact CD1-CD1 3.75Å; I125-L129 HydrophobicContact CD1-CG 4.33Å; I125-L129 HydrophobicContact CG1-CB 3.88Å; I125-L129 HydrophobicContact CG1-CD1 4.13Å; I125-D130 HydrophobicContact CG2-CB 3.5Å; I125-L133 HydrophobicContact CD1-CD1 4Å; I125-R153 VanDerWaalsContact CA-NH1 3.35Å; I125-R153 PolarHBondContact O-NH1 3.16Å; I125-W159 HydrophobicContact CB-CH2 4.34Å; I125-W159 HydrophobicContact CB-CZ2 3.95Å; I125-W159 HydrophobicContact CD1-CH2 3.83Å; I125-W159 HydrophobicContact CD1-CZ2 4.29Å; I125-W159 HydrophobicContact CG1-CH2 3.58Å; I125-W159 HydrophobicContact CG1-CZ2 3.67Å; I125-W159 HydrophobicContact CG1-CZ3 4.37Å
126	I	95	Very high	95.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.			trans	-54	144.4	176.5	73.6	-173.8	0	0	0	110.9	G128 L129 D130 V146 A151 R153 F162 F171	I126-G128 PolarHBondContact O-N 3.43Å; I126-G128 VanDerWaalsContact O-N 3.14Å; I126-L129 HydrophobicContact CD1-CB 4.29Å; I126-L129 HydrophobicContact CD1-CD1 3.75Å; I126-L129 HydrophobicContact CD1-CG 3.76Å; I126-L129 HydrophobicContact CG1-CB 3.82Å; I126-L129 HydrophobicContact CG1-CD1 3.99Å; I126-L129 HydrophobicContact CG1-CG 3.86Å; I126-L129 PolarHBondContact O-N 3Å; I126-D130 PolarHBondContact O-N 2.89Å; I126-V146 HydrophobicContact CD1-CG1 4.49Å; I126-A151 HydrophobicContact CD1-CB 4.46Å; I126-R153 HydrophobicContact CG2-CB 3.88Å; I126-F162 HydrophobicContact CD1-CE1 3.54Å; I126-F162 HydrophobicContact CD1-CZ 3.97Å; I126-F162 HydrophobicContact CG2-CD1 4.19Å; I126-F162 HydrophobicContact CG2-CE1 3.53Å; I126-F162 HydrophobicContact CG2-CZ 3.81Å; I126-F171 HydrophobicContact CD1-CD2 4.37Å; I126-F171 HydrophobicContact CD1-CE2 3.5Å; I126-F171 VanDerWaalsContact CD1-CE2 3.5Å; I126-F171 HydrophobicContact CD1-CZ 3.66Å
127	P	94.8	Very high	95.6	Very high	59 Å²	59	21.2 Å²	21.2	38%	0.383	12%	0.118	S	C	.	.	H	α-helix	trans	-53.1	-38.4	-175.9	-28.9	34.8	0	0	0	114.6	D130 K131 L150	P127-D130 PolarHBondContact O-N 2.84Å; P127-K131 WeakPolarHBondContact O-CB 3.35Å; P127-K131 WeakPolarHBondContact O-CG 3.25Å; P127-K131 PolarHBondContact O-N 3.16Å; P127-L150 HydrophobicContact CB-CD2 4.14Å; P127-L150 WeakPolarHBondContact CD-O 3.42Å
128	G	96.2	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-46.1	-179.4	0	0	0	0	0	113.5	I126 K131 A132 L150	I126-G128 PolarHBondContact O-N 3.43Å; I126-G128 VanDerWaalsContact O-N 3.14Å; G128-K131 WeakPolarHBondContact O-CB 3.31Å; G128-K131 PolarHBondContact O-N 3.08Å; G128-A132 PolarHBondContact O-N 3.47Å; G128-L150 PolarHBondContact N-O 3.37Å
129	L	96.9	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.7	-37.5	174.5	-74.2	175.1	0	0	0	111.7	I125 I126 K131 A132 L133 V144 F171 V173	I125-L129 HydrophobicContact CD1-CB 3.59Å; I125-L129 HydrophobicContact CD1-CD1 3.75Å; I125-L129 HydrophobicContact CD1-CG 4.33Å; I125-L129 HydrophobicContact CG1-CB 3.88Å; I125-L129 HydrophobicContact CG1-CD1 4.13Å; I126-L129 HydrophobicContact CD1-CB 4.29Å; I126-L129 HydrophobicContact CD1-CD1 3.75Å; I126-L129 HydrophobicContact CD1-CG 3.76Å; I126-L129 HydrophobicContact CG1-CB 3.82Å; I126-L129 HydrophobicContact CG1-CD1 3.99Å; I126-L129 HydrophobicContact CG1-CG 3.86Å; I126-L129 PolarHBondContact O-N 3Å; L129-K131 PolarHBondContact O-N 3.11Å; L129-A132 PolarHBondContact O-N 2.88Å; L129-A132 VanDerWaalsContact O-N 3.11Å; L129-L133 WeakPolarHBondContact O-CB 3.39Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.11Å; L129-L133 PolarHBondContact O-N 3.43Å; L129-V144 HydrophobicContact CD2-CB 4.32Å; L129-V144 HydrophobicContact CD2-CG1 4.5Å; L129-V144 HydrophobicContact CD2-CG2 4.43Å; L129-F171 HydrophobicContact CD1-CD1 3.87Å; L129-F171 HydrophobicContact CD1-CD2 4.12Å; L129-F171 HydrophobicContact CD1-CE1 4.03Å; L129-F171 HydrophobicContact CD1-CE2 4.27Å; L129-F171 HydrophobicContact CD1-CG 3.92Å; L129-F171 HydrophobicContact CD1-CZ 4.24Å; L129-F171 HydrophobicContact CD2-CB 3.8Å; L129-F171 HydrophobicContact CD2-CD2 3.98Å; L129-F171 HydrophobicContact CD2-CG 3.84Å; L129-F171 HydrophobicContact CG-CD2 4.04Å; L129-F171 HydrophobicContact CG-CE2 4.39Å; L129-F171 HydrophobicContact CG-CG 4.15Å; L129-V173 HydrophobicContact CD2-CG2 3.89Å
130	D	96.8	Very high	95.4	Very high	15 Å²	15	26.4 Å²	26.4	8%	0.08	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-40.3	175.7	-152.3	-2.9	0	0	0	110.1	K121 I125 I126 P127	K121-D130 WeakPolarHBondContact CA-OD1 2.77Å; K121-D130 VanDerWaalsContact CA-OD2 3.22Å; K121-D130 WeakPolarHBondContact CA-OD2 2.99Å; K121-D130 WeakPolarHBondContact CE-O 3.42Å; K121-D130 PolarHBondContact N-OD1 3.23Å; K121-D130 PolarHBondContact N-OD2 3.34Å; K121-D130 VanDerWaalsContact NZ-C 3.31Å; K121-D130 PolarHBondContact NZ-O 3.06Å; I125-D130 HydrophobicContact CG2-CB 3.5Å; I126-D130 PolarHBondContact O-N 2.89Å; P127-D130 PolarHBondContact O-N 2.84Å
131	K	95.9	Very high	95.4	Very high	85 Å²	85	27.9 Å²	27.9	37%	0.37	15%	0.152	S	C	.	.	H	α-helix	trans	-57.8	-55.1	169.3	-78	-175.1	179.7	-166.9	0	112.3	D70 I71 P127 G128 L129 L133 G134 L150	D70-K131 IonicContact OD1-NZ 3.04Å; D70-K131 PolarHBondContact OD1-NZ 2.88Å; D70-K131 IonicContact OD2-NZ 2.7Å; D70-K131 PolarHBondContact OD2-NZ 3.26Å; I71-K131 HydrophobicContact CD1-CB 3.52Å; I71-K131 HydrophobicContact CG1-CB 4.38Å; P127-K131 WeakPolarHBondContact O-CB 3.35Å; P127-K131 WeakPolarHBondContact O-CG 3.25Å; P127-K131 PolarHBondContact O-N 3.16Å; G128-K131 WeakPolarHBondContact O-CB 3.31Å; G128-K131 PolarHBondContact O-N 3.08Å; L129-K131 PolarHBondContact O-N 3.11Å; K131-L133 PolarHBondContact O-N 3.38Å; K131-G134 PolarHBondContact O-N 2.71Å; K131-L150 HydrophobicContact CD-CD1 4.4Å
132	A	96.5	Very high	95.5	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-33.7	-173.9	0	0	0	0	0	114.5	I71 V73 G128 L129 G134 V144	I71-A132 HydrophobicContact CD1-CB 3.79Å; V73-A132 HydrophobicContact CG2-CB 3.83Å; G128-A132 PolarHBondContact O-N 3.47Å; L129-A132 PolarHBondContact O-N 2.88Å; L129-A132 VanDerWaalsContact O-N 3.11Å; A132-G134 PolarHBondContact O-N 3.42Å; A132-V144 HydrophobicContact CB-CB 4.26Å; A132-V144 HydrophobicContact CB-CG1 3.65Å; A132-V144 HydrophobicContact CB-CG2 3.55Å
133	L	96.7	Very high	95.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.8	-179.4	-65.7	174.2	0	0	0	113.3	I92 F94 L120 I125 L129 K131 V136 L142 V173 V175	I92-L133 HydrophobicContact CD1-CB 4.17Å; I92-L133 HydrophobicContact CD1-CD1 4.47Å; I92-L133 HydrophobicContact CD1-CD2 3.97Å; I92-L133 HydrophobicContact CD1-CG 4.43Å; I92-L133 HydrophobicContact CG2-CD1 4.45Å; F94-L133 HydrophobicContact CD1-CD1 4.25Å; F94-L133 HydrophobicContact CE1-CD1 3.94Å; F94-L133 HydrophobicContact CZ-CD1 4.29Å; L120-L133 HydrophobicContact CD2-CB 3.67Å; L120-L133 HydrophobicContact CD2-CD1 4.47Å; I125-L133 HydrophobicContact CD1-CD1 4Å; L129-L133 WeakPolarHBondContact O-CB 3.39Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.11Å; L129-L133 PolarHBondContact O-N 3.43Å; K131-L133 PolarHBondContact O-N 3.38Å; L133-V136 VanDerWaalsContact O-CG2 3.3Å; L133-V136 WeakPolarHBondContact O-CG2 3.37Å; L133-L142 HydrophobicContact CD2-CD1 4.19Å; L133-L142 HydrophobicContact CD2-CD2 4.36Å; L133-V173 HydrophobicContact CD2-CG1 3.95Å; L133-V175 HydrophobicContact CD2-CG2 4.32Å
134	G	91.8	Very high	95.8	Very high	23 Å²	23	28.1 Å²	28.1	24%	0.237	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	136.6	165.2	0	0	0	0	0	110.4	K131 A132 V136	K131-G134 PolarHBondContact O-N 2.71Å; A132-G134 PolarHBondContact O-N 3.42Å; G134-V136 VanDerWaalsContact C-N 3.31Å; G134-V136 PolarHBondContact O-N 2.94Å
135	N	92.8	Very high	95.9	Very high	85 Å²	85	29.3 Å²	29.3	46%	0.455	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	15.2	172.1	-153.7	41.5	0	0	0	116.2	R85 A86	R85-N135 WeakPolarHBondContact CB-OD1 3.37Å; R85-N135 VanDerWaalsContact CD-CG 3.48Å; R85-N135 WeakPolarHBondContact CD-O 3.49Å; R85-N135 WeakPolarHBondContact CD-OD1 3.4Å; R85-N135 PolarHBondContact NH1-O 3Å; A86-N135 WeakPolarHBondContact O-CA 3.14Å; A86-N135 PolarHBondContact O-N 2.93Å
136	V	95.6	Very high	95.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.			trans	-83.3	164.2	174.8	-55.5	0	0	0	0	112.2	Y75 R85 A86 I92 L133 G134 L142 V175	Y75-V136 HydrophobicContact CE1-CG1 4.45Å; R85-V136 WeakPolarHBondContact CA-O 3.43Å; A86-V136 HydrophobicContact CB-CG2 3.91Å; A86-V136 WeakPolarHBondContact CB-O 3.26Å; A86-V136 PolarHBondContact N-O 2.89Å; I92-V136 HydrophobicContact CD1-CG2 3.46Å; I92-V136 VanDerWaalsContact CD1-CG2 3.46Å; L133-V136 VanDerWaalsContact O-CG2 3.3Å; L133-V136 WeakPolarHBondContact O-CG2 3.37Å; G134-V136 VanDerWaalsContact C-N 3.31Å; G134-V136 PolarHBondContact O-N 2.94Å; V136-L142 HydrophobicContact CB-CD2 4.43Å; V136-L142 HydrophobicContact CG1-CD2 3.68Å; V136-V175 HydrophobicContact CB-CG2 4.29Å; V136-V175 HydrophobicContact CG2-CG1 4.29Å; V136-V175 HydrophobicContact CG2-CG2 4.01Å
137	C	95.9	Very high	95.9	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.02	15%	0.15	C	C	.	.			trans	-118.6	162	177.6	-58.5	0	0	0	0	111.1	C82 N139 D140 V175	C82-C137 HydrophobicContact CB-CB 3.69Å; C82-C137 WeakPolarHBondContact CB-SG 3.41Å; C82-C137 WeakPolarHBondContact SG-CB 3.5Å; C82-C137 CovalentContact SG-SG 2Å; C82-C137 PolarHBondContact SG-SG 3.24Å; C137-N139 PolarHBondContact O-N 2.84Å; C137-D140 WeakPolarHBondContact CB-OD2 3.16Å; C137-D140 PolarHBondContact N-OD2 2.94Å; C137-D140 WeakPolarHBondContact O-CB 3.48Å; C137-D140 PolarHBondContact O-N 3.48Å; C137-D140 VanDerWaalsContact O-N 3.12Å; C137-V175 WeakPolarHBondContact O-CG1 3.48Å
138	K	95.1	Very high	95.7	Very high	111 Å²	111	29.8 Å²	29.8	48%	0.483	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	133.1	167.4	-178.2	171.6	-177.4	169	0	109.9	D140 L176	K138-D140 VanDerWaalsContact C-N 3.28Å; K138-D140 PolarHBondContact O-N 2.81Å; K138-L176 VanDerWaalsContact CE-O 3.3Å; K138-L176 WeakPolarHBondContact CE-O 3.4Å; K138-L176 WeakPolarHBondContact CG-O 3.36Å
139	N	94.9	Very high	95.5	Very high	62 Å²	62	35.5 Å²	35.5	33%	0.332	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	14.8	-177.1	-49.4	-41.2	0	0	0	115.7	R79 C137 V175	R79-N139 HydrophobicContact CG-CB 4.39Å; C137-N139 PolarHBondContact O-N 2.84Å; N139-V175 WeakPolarHBondContact CA-O 3.44Å; N139-V175 PolarHBondContact N-O 2.71Å
140	D	96.8	Very high	95.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.			trans	-69.7	141.6	167.1	-79.8	-8.1	0	0	0	110	R77 R78 R79 C137 K138 V175	R77-D140 WeakPolarHBondContact O-CA 3.29Å; R78-D140 WeakPolarHBondContact CA-OD1 3.28Å; R79-D140 PolarHBondContact N-OD1 2.9Å; C137-D140 WeakPolarHBondContact CB-OD2 3.16Å; C137-D140 PolarHBondContact N-OD2 2.94Å; C137-D140 WeakPolarHBondContact O-CB 3.48Å; C137-D140 PolarHBondContact O-N 3.48Å; C137-D140 VanDerWaalsContact O-N 3.12Å; K138-D140 VanDerWaalsContact C-N 3.28Å; K138-D140 PolarHBondContact O-N 2.81Å; D140-V175 PolarHBondContact O-N 3.27Å
141	I	97	Very high	95.2	Very high	32 Å²	32	35.6 Å²	35.6	16%	0.164	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.6	171	-55.9	175.1	0	0	0	107.5	E76 R77 V173	E76-I141 HydrophobicContact CB-CB 4.41Å; E76-I141 HydrophobicContact CB-CG2 4.13Å; E76-I141 PolarHBondContact N-O 3.44Å; R77-I141 HydrophobicContact CB-CB 3.94Å; R77-I141 HydrophobicContact CB-CD1 4.22Å; R77-I141 HydrophobicContact CB-CG1 4.11Å; R77-I141 PolarHBondContact N-O 2.85Å; R77-I141 VanDerWaalsContact N-O 3.1Å; R77-I141 PolarHBondContact O-N 2.88Å; I141-V173 WeakPolarHBondContact CA-O 3.5Å
142	L	97.4	Very high	94.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.8	-175.2	49.2	119.3	0	0	0	110.8	K74 Y75 L133 V136 V144 V173 V175	K74-L142 CarbonylContact O-C 3.58Å; K74-L142 WeakPolarHBondContact O-CA 3.49Å; Y75-L142 HydrophobicContact CD1-CB 4.45Å; L133-L142 HydrophobicContact CD2-CD1 4.19Å; L133-L142 HydrophobicContact CD2-CD2 4.36Å; V136-L142 HydrophobicContact CB-CD2 4.43Å; V136-L142 HydrophobicContact CG1-CD2 3.68Å; L142-V144 HydrophobicContact CB-CG2 4.49Å; L142-V144 HydrophobicContact CD1-CG2 3.23Å; L142-V144 HydrophobicContact CG-CG2 4.41Å; L142-V173 HydrophobicContact CD1-CB 3.7Å; L142-V173 HydrophobicContact CD1-CG1 4.34Å; L142-V173 HydrophobicContact CD1-CG2 4.08Å; L142-V173 HydrophobicContact CG-CB 3.88Å; L142-V173 HydrophobicContact CG-CG1 4.48Å; L142-V173 PolarHBondContact N-O 2.77Å; L142-V173 PolarHBondContact O-N 3.07Å; L142-V175 HydrophobicContact CD2-CG2 3.92Å
143	R	97.7	Very high	94.5	Very high	95 Å²	95	37.8 Å²	37.8	36%	0.358	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129	164.3	-179.3	176.9	163.8	174.1	4.5	108.9	K74 E76 D145 T170 F171	K74-R143 HydrophobicContact CB-CB 4.47Å; K74-R143 PolarHBondContact N-O 2.8Å; K74-R143 PolarHBondContact O-N 2.94Å; E76-R143 HydrophobicContact CG-CB 4.48Å; R143-D145 IonicContact NE-OD1 3.42Å; R143-D145 PolarHBondContact NE-OD1 3Å; R143-D145 IonicContact NH2-OD1 3.74Å; R143-T170 HydrophobicContact CG-CG2 3.71Å; R143-T170 VanDerWaalsContact NE-CG2 3.33Å; R143-F171 CarbonylContact C-O 3.59Å; R143-F171 VanDerWaalsContact CA-O 3.27Å; R143-F171 WeakPolarHBondContact CA-O 3.28Å
144	V	97.9	Very high	94.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	113.4	-176	-173.7	0	0	0	0	109.3	I71 K72 V73 L129 A132 L142 V146 T170 F171	I71-V144 HydrophobicContact CB-CG1 4.3Å; K72-V144 CarbonylContact O-C 3.54Å; K72-V144 WeakPolarHBondContact O-CA 3.27Å; V73-V144 HydrophobicContact CG1-CG2 4.43Å; V73-V144 HydrophobicContact CG2-CG1 4.34Å; V73-V144 HydrophobicContact CG2-CG2 4.41Å; L129-V144 HydrophobicContact CD2-CB 4.32Å; L129-V144 HydrophobicContact CD2-CG1 4.5Å; L129-V144 HydrophobicContact CD2-CG2 4.43Å; A132-V144 HydrophobicContact CB-CB 4.26Å; A132-V144 HydrophobicContact CB-CG1 3.65Å; A132-V144 HydrophobicContact CB-CG2 3.55Å; L142-V144 HydrophobicContact CB-CG2 4.49Å; L142-V144 HydrophobicContact CD1-CG2 3.23Å; L142-V144 HydrophobicContact CG-CG2 4.41Å; V144-V146 HydrophobicContact CB-CG2 4.45Å; V144-V146 HydrophobicContact CG1-CG2 3.62Å; V144-T170 CarbonylContact O-C 3.55Å; V144-T170 WeakPolarHBondContact O-CA 3.1Å; V144-F171 HydrophobicContact CB-CB 4.47Å; V144-F171 PolarHBondContact N-O 2.93Å; V144-F171 PolarHBondContact O-N 3.32Å
145	D	96.9	Very high	94	Very high	38 Å²	38	51 Å²	51	20%	0.203	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.8	169.9	-45.6	-40.3	0	0	0	107.6	I71 K72 R143 W168 T170	I71-D145 VanDerWaalsContact CA-O 3.31Å; I71-D145 WeakPolarHBondContact CA-O 3.39Å; K72-D145 HydrophobicContact CB-CB 4.16Å; K72-D145 PolarHBondContact N-O 2.92Å; K72-D145 PolarHBondContact O-N 3.28Å; R143-D145 IonicContact NE-OD1 3.42Å; R143-D145 PolarHBondContact NE-OD1 3Å; R143-D145 IonicContact NH2-OD1 3.74Å; D145-W168 HydrophobicContact CB-CE3 3.72Å; D145-W168 HydrophobicContact CB-CZ3 3.82Å; D145-T170 WeakPolarHBondContact OD1-CG2 3.39Å; D145-T170 PolarHBondContact OD1-OG1 3.32Å
146	V	96.3	Very high	94	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.2	-174.5	-177.8	0	0	0	0	109.2	I71 I126 V144 L150 A151 I169 F171	I71-V146 HydrophobicContact CG2-CG1 4.37Å; I71-V146 HydrophobicContact CG2-CG2 4.17Å; I126-V146 HydrophobicContact CD1-CG1 4.49Å; V144-V146 HydrophobicContact CB-CG2 4.45Å; V144-V146 HydrophobicContact CG1-CG2 3.62Å; V146-L150 HydrophobicContact CG1-CB 3.82Å; V146-A151 HydrophobicContact CG1-CB 4.01Å; V146-I169 PolarHBondContact N-O 3.2Å; V146-I169 PolarHBondContact O-N 3Å; V146-F171 HydrophobicContact CB-CD2 4.4Å; V146-F171 HydrophobicContact CB-CE2 4.29Å; V146-F171 HydrophobicContact CG2-CD2 3.75Å; V146-F171 HydrophobicContact CG2-CE2 4.02Å
147	P	94.1	Very high	93.9	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.019	23%	0.228	C	C	.	.			trans	-68.3	149.2	173.8	28.8	-34	0	0	0	110.3	L69 R149 L150 A151 W168	L69-P147 HydrophobicContact CB-CB 3.98Å; L69-P147 HydrophobicContact CB-CG 4.18Å; P147-R149 VanDerWaalsContact C-N 3.25Å; P147-R149 PolarHBondContact O-N 3.39Å; P147-L150 HydrophobicContact CG-CB 4.24Å; P147-L150 HydrophobicContact CG-CD1 3.89Å; P147-L150 HydrophobicContact CG-CG 4.09Å; P147-L150 WeakPolarHBondContact O-CA 3.48Å; P147-L150 PolarHBondContact O-N 3.46Å; P147-A151 PolarHBondContact O-N 3.04Å; P147-W168 HydrophobicContact CB-CD2 4.36Å; P147-W168 HydrophobicContact CB-CE3 4.45Å; P147-W168 HydrophobicContact CB-CH2 4.32Å; P147-W168 HydrophobicContact CB-CZ2 4.23Å; P147-W168 HydrophobicContact CB-CZ3 4.44Å
148	W	91	Very high	93.6	Very high	69 Å²	69	53.4 Å²	53.4	26%	0.261	24%	0.236	S	C	.	.	H	α-helix	trans	-47.2	-44	-174.7	177.5	83.2	0	0	0	114.4	L150 A151 Q152 K164 D165 E166 H167	W148-L150 PolarHBondContact O-N 3.5Å; W148-A151 PolarHBondContact O-N 2.89Å; W148-Q152 HydrophobicContact CD2-CG 4.43Å; W148-Q152 VanDerWaalsContact CD2-NE2 3.35Å; W148-Q152 VanDerWaalsContact CE2-CD 3.45Å; W148-Q152 HydrophobicContact CH2-CG 4.42Å; W148-Q152 HydrophobicContact CZ2-CG 4.34Å; W148-Q152 WeakPolarHBondContact O-CG 3.38Å; W148-Q152 PolarHBondContact O-N 2.99Å; W148-Q152 PolarHBondContact O-NE2 3.16Å; W148-K164 PolarHBondContact NE1-O 3.02Å; W148-D165 PolarHBondContact NE1-O 3.22Å; W148-E166 HydrophobicContact CB-CB 4.45Å; W148-E166 VanDerWaalsContact CD1-CA 3.47Å; W148-E166 HydrophobicContact CD2-CB 4.18Å; W148-E166 HydrophobicContact CD2-CG 3.74Å; W148-E166 HydrophobicContact CE3-CG 4.04Å; W148-E166 HydrophobicContact CG-CB 4.1Å; W148-E166 HydrophobicContact CG-CG 4.18Å; W148-E166 HydrophobicContact CH2-CG 4.31Å; W148-E166 HydrophobicContact CZ2-CG 4.02Å; W148-E166 HydrophobicContact CZ3-CG 4.32Å; W148-H167 WeakPolarHBondContact CB-O 3.38Å; W148-H167 PolarHBondContact N-O 3.5Å
149	R	90.9	Very high	93.4	Very high	119 Å²	119	48.2 Å²	48.2	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-55.5	-33.4	178.5	-175.5	178.3	62.6	112.4	8	113	L69 P147	L69-R149 PolarHBondContact O-NH2 3.38Å; P147-R149 VanDerWaalsContact C-N 3.25Å; P147-R149 PolarHBondContact O-N 3.39Å
150	L	94.6	Very high	93.1	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-95.2	-2.6	178.5	-61.9	-179	0	0	0	113.3	D70 I71 P127 G128 K131 V146 P147 W148	D70-L150 WeakPolarHBondContact OD1-CD1 3.48Å; I71-L150 HydrophobicContact CG2-CD1 3.92Å; P127-L150 HydrophobicContact CB-CD2 4.14Å; P127-L150 WeakPolarHBondContact CD-O 3.42Å; G128-L150 PolarHBondContact N-O 3.37Å; K131-L150 HydrophobicContact CD-CD1 4.4Å; V146-L150 HydrophobicContact CG1-CB 3.82Å; P147-L150 HydrophobicContact CG-CB 4.24Å; P147-L150 HydrophobicContact CG-CD1 3.89Å; P147-L150 HydrophobicContact CG-CG 4.09Å; P147-L150 WeakPolarHBondContact O-CA 3.48Å; P147-L150 PolarHBondContact O-N 3.46Å; W148-L150 PolarHBondContact O-N 3.5Å
151	A	92.8	Very high	92.7	Very high	3 Å²	3	57.2 Å²	57.2	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-95.5	-6.7	172.7	0	0	0	0	0	113.4	I126 V146 P147 W148 R153 I169	I126-A151 HydrophobicContact CD1-CB 4.46Å; V146-A151 HydrophobicContact CG1-CB 4.01Å; P147-A151 PolarHBondContact O-N 3.04Å; W148-A151 PolarHBondContact O-N 2.89Å; A151-R153 PolarHBondContact O-N 3.08Å; A151-I169 HydrophobicContact CB-CD1 3.7Å
152	Q	89.2	Confident	92.3	Very high	80 Å²	80	57 Å²	57	37%	0.374	24%	0.24	S	C	.	.			trans	-67.5	129	-177.8	-63.2	-47.2	-64.8	0	0	112.3	W148	W148-Q152 HydrophobicContact CD2-CG 4.43Å; W148-Q152 VanDerWaalsContact CD2-NE2 3.35Å; W148-Q152 VanDerWaalsContact CE2-CD 3.45Å; W148-Q152 HydrophobicContact CH2-CG 4.42Å; W148-Q152 HydrophobicContact CZ2-CG 4.34Å; W148-Q152 WeakPolarHBondContact O-CG 3.38Å; W148-Q152 PolarHBondContact O-N 2.99Å; W148-Q152 PolarHBondContact O-NE2 3.16Å
153	R	89.8	Confident	91.7	Very high	55 Å²	55	58.2 Å²	58.2	21%	0.208	25%	0.249	C	C	.	.			trans	-156.1	150.7	173.1	-169.1	162.5	-180	101.4	9.7	111.2	G123 L124 I125 I126 A151 Y214	G123-R153 VanDerWaalsContact C-NH1 3.35Å; G123-R153 VanDerWaalsContact O-CZ 3.25Å; G123-R153 PolarHBondContact O-NH1 3.26Å; G123-R153 PolarHBondContact O-NH2 2.98Å; L124-R153 PolarHBondContact O-NH2 2.93Å; L124-R153 VanDerWaalsContact O-NH2 3.11Å; I125-R153 VanDerWaalsContact CA-NH1 3.35Å; I125-R153 PolarHBondContact O-NH1 3.16Å; I126-R153 HydrophobicContact CG2-CB 3.88Å; A151-R153 PolarHBondContact O-N 3.08Å; R153-Y214 PolarHBondContact NE-O 3.43Å; R153-Y214 PolarHBondContact NH2-O 3.01Å
154	K	88.6	Confident	91.1	Very high	125 Å²	125	60.7 Å²	60.7	54%	0.543	26%	0.262	S	S	.	.			trans	-61.1	139.9	171.9	-70.2	-176.5	179	177.4	0	109.6	S156	K154-S156 PolarHBondContact O-N 3.47Å
155	R	89.7	Confident	90.4	Very high	175 Å²	175	65.9 Å²	65.9	66%	0.66	29%	0.29	S	S	*	.			trans	-59.8	134.2	175.4	-71.8	-178.9	171.3	-173.7	-8.8	110	K164	R155-K164 VanDerWaalsContact NH2-CE 3.28Å
156	S	92.6	Very high	89.8	Confident	14 Å²	14	68 Å²	68	10%	0.098	30%	0.298	C	S	.	.			trans	-153.5	174.2	178.7	72.7	0	0	0	0	109.1	K154 K158 W159 R160 N212 E213 Y214	K154-S156 PolarHBondContact O-N 3.47Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.4Å; S156-W159 CarbonylContact O-C 3.51Å; S156-W159 PolarHBondContact O-N 2.79Å; S156-W159 PolarHBondContact OG-N 2.88Å; S156-R160 WeakPolarHBondContact O-CA 3.46Å; S156-R160 WeakPolarHBondContact O-CB 3.31Å; S156-R160 PolarHBondContact O-N 3.42Å; S156-N212 WeakPolarHBondContact CB-O 3.46Å; S156-E213 WeakPolarHBondContact CB-O 3.39Å; S156-E213 PolarHBondContact OG-O 3.11Å; S156-Y214 VanDerWaalsContact CB-C 3.46Å
157	T	92.3	Very high	89.4	Confident	85 Å²	85	70.7 Å²	70.7	52%	0.521	31%	0.311	S	S	.	.	S	Bend	trans	-55.9	-44.1	-178.8	-57.8	0	0	0	0	112.3	N212	T157-N212 PolarHBondContact N-O 2.69Å; T157-N212 PolarHBondContact OG1-O 2.83Å
158	K	91.3	Very high	89.3	Confident	40 Å²	40	71.7 Å²	71.7	17%	0.174	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-26.7	180	-57.7	-58	-164.7	172.8	0	113.5	I116 S156 E213 Y214	I116-K158 HydrophobicContact CD1-CD 3.7Å; I116-K158 HydrophobicContact CD1-CG 4.35Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.4Å; K158-E213 VanDerWaalsContact CB-O 3.31Å; K158-E213 WeakPolarHBondContact CB-O 3.35Å; K158-E213 WeakPolarHBondContact CE-OE2 3.41Å; K158-E213 HydrophobicContact CG-CB 4.26Å; K158-E213 WeakPolarHBondContact CG-O 3.38Å; K158-E213 PolarHBondContact N-O 2.66Å; K158-Y214 HydrophobicContact CG-CD1 4.32Å; K158-Y214 HydrophobicContact CG-CE1 3.99Å
159	W	90.5	Very high	89.5	Confident	3 Å²	3	68.4 Å²	68.4	1%	0.011	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	28	-173.6	-44.9	122.2	0	0	0	113.2	Y96 I116 L124 I125 S156 F162 Y214	Y96-W159 HydrophobicContact CE1-CZ3 4.16Å; I116-W159 HydrophobicContact CG2-CH2 4.07Å; I116-W159 HydrophobicContact CG2-CZ2 4.41Å; L124-W159 WeakPolarHBondContact O-CZ2 3.49Å; L124-W159 PolarHBondContact O-NE1 3.03Å; I125-W159 HydrophobicContact CB-CH2 4.34Å; I125-W159 HydrophobicContact CB-CZ2 3.95Å; I125-W159 HydrophobicContact CD1-CH2 3.83Å; I125-W159 HydrophobicContact CD1-CZ2 4.29Å; I125-W159 HydrophobicContact CG1-CH2 3.58Å; I125-W159 HydrophobicContact CG1-CZ2 3.67Å; I125-W159 HydrophobicContact CG1-CZ3 4.37Å; S156-W159 CarbonylContact O-C 3.51Å; S156-W159 PolarHBondContact O-N 2.79Å; S156-W159 PolarHBondContact OG-N 2.88Å; W159-F162 HydrophobicContact CB-CD2 4.19Å; W159-F162 HydrophobicContact CB-CE2 4.36Å; W159-F162 HydrophobicContact CD2-CE2 4.49Å; W159-F162 AromaticContact CE3-CE2 3.66Å; W159-F162 HydrophobicContact CE3-CE2 3.66Å; W159-F162 HydrophobicContact CE3-CZ 4.12Å; W159-F162 HydrophobicContact CZ3-CE2 4.42Å; W159-Y214 HydrophobicContact CZ2-CD1 4.19Å; W159-Y214 AromaticContact NE1-CD1 3.81Å
160	R	88.2	Confident	89.8	Confident	153 Å²	153	63.6 Å²	63.6	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-36.5	-172.2	-175.9	173.9	61.1	-126.8	-2.7	113.8	S156	S156-R160 WeakPolarHBondContact O-CA 3.46Å; S156-R160 WeakPolarHBondContact O-CB 3.31Å; S156-R160 PolarHBondContact O-N 3.42Å
161	R	89	Confident	89.9	Confident	98 Å²	98	62.9 Å²	62.9	37%	0.37	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.1	-167.5	-69.8	-167.6	-78.9	-161	-4.7	114.6	F106 D107	F106-R161 HydrophobicContact CD2-CB 4.32Å; F106-R161 WeakPolarHBondContact CD2-O 3.35Å; F106-R161 WeakPolarHBondContact O-CD 3.32Å; D107-R161 HydrophobicContact CB-CB 4.02Å; D107-R161 IonicContact OD1-CZ 3.03Å; D107-R161 IonicContact OD1-NE 2.79Å; D107-R161 PolarHBondContact OD1-NE 3.43Å; D107-R161 IonicContact OD1-NH2 2.62Å; D107-R161 PolarHBondContact OD1-NH2 3.35Å
162	F	86.8	Confident	90.2	Very high	27 Å²	27	66.1 Å²	66.1	12%	0.118	30%	0.296	C	S	.	.			trans	-60.5	130.9	-177.9	-86.9	-110.6	0	0	0	111.7	F106 I126 W159 F171	F106-F162 HydrophobicContact CE2-CD2 4.07Å; F106-F162 HydrophobicContact CE2-CE2 4.22Å; F106-F162 HydrophobicContact CE2-CG 4.24Å; F106-F162 HydrophobicContact CZ-CZ 4.48Å; I126-F162 HydrophobicContact CD1-CE1 3.54Å; I126-F162 HydrophobicContact CD1-CZ 3.97Å; I126-F162 HydrophobicContact CG2-CD1 4.19Å; I126-F162 HydrophobicContact CG2-CE1 3.53Å; I126-F162 HydrophobicContact CG2-CZ 3.81Å; W159-F162 HydrophobicContact CB-CD2 4.19Å; W159-F162 HydrophobicContact CB-CE2 4.36Å; W159-F162 HydrophobicContact CD2-CE2 4.49Å; W159-F162 AromaticContact CE3-CE2 3.66Å; W159-F162 HydrophobicContact CE3-CE2 3.66Å; W159-F162 HydrophobicContact CE3-CZ 4.12Å; W159-F162 HydrophobicContact CZ3-CE2 4.42Å; F162-F171 HydrophobicContact CE1-CE1 4.21Å; F162-F171 HydrophobicContact CE1-CE2 4.34Å; F162-F171 AromaticContact CE1-CZ 3.45Å; F162-F171 HydrophobicContact CE1-CZ 3.45Å; F162-F171 VanDerWaalsContact CE1-CZ 3.45Å; F162-F171 AromaticContact CZ-CE1 3.75Å; F162-F171 HydrophobicContact CZ-CE1 3.75Å; F162-F171 AromaticContact CZ-CZ 3.46Å; F162-F171 HydrophobicContact CZ-CZ 3.46Å; F162-F171 VanDerWaalsContact CZ-CZ 3.46Å
163	P	86.8	Confident	90.6	Very high	26 Å²	26	62.3 Å²	62.3	17%	0.169	28%	0.279	C	S	.	.			trans	-65.7	150.7	179.9	30.8	-37.7	0	0	0	110.5	L100 I169	L100-P163 HydrophobicContact CD2-CB 3.77Å; L100-P163 HydrophobicContact CD2-CG 3.58Å; P163-I169 HydrophobicContact CG-CD1 3.4Å; P163-I169 VanDerWaalsContact CG-CD1 3.4Å; P163-I169 HydrophobicContact CG-CG1 3.98Å
164	K	84.4	Confident	91	Very high	147 Å²	147	61.8 Å²	61.8	64%	0.639	28%	0.28	S	S	*	.			trans	-89.6	-29.6	176.4	-70.3	-173.3	177.1	-176.8	0	112.3	W148 R155	W148-K164 PolarHBondContact NE1-O 3.02Å; R155-K164 VanDerWaalsContact NH2-CE 3.28Å
165	D	83.3	Confident	91.4	Very high	109 Å²	109	55.9 Å²	55.9	58%	0.583	25%	0.254	S	S	*	.	S	Bend	trans	-63.1	142	-173.7	-53.7	-45.8	0	0	0	110	W148 H167	W148-D165 PolarHBondContact NE1-O 3.22Å; D165-H167 PolarHBondContact O-N 3.15Å
166	E	83.9	Confident	91.7	Very high	81 Å²	81	50.1 Å²	50.1	38%	0.379	24%	0.236	S	C	.	.	S	Bend	trans	-70.4	86.3	176.2	-55.8	-170.7	-159.7	0	0	107.4	S54 A55 R58 W148	S54-E166 WeakPolarHBondContact CB-O 3.26Å; A55-E166 WeakPolarHBondContact CA-OE2 3.5Å; A55-E166 HydrophobicContact CB-CB 4.48Å; A55-E166 WeakPolarHBondContact CB-OE2 3.36Å; R58-E166 VanDerWaalsContact CZ-C 3.44Å; R58-E166 VanDerWaalsContact NH1-CB 3.3Å; R58-E166 PolarHBondContact NH1-O 3.11Å; R58-E166 PolarHBondContact NH2-O 3.32Å; W148-E166 HydrophobicContact CB-CB 4.45Å; W148-E166 VanDerWaalsContact CD1-CA 3.47Å; W148-E166 HydrophobicContact CD2-CB 4.18Å; W148-E166 HydrophobicContact CD2-CG 3.74Å; W148-E166 HydrophobicContact CE3-CG 4.04Å; W148-E166 HydrophobicContact CG-CB 4.1Å; W148-E166 HydrophobicContact CG-CG 4.18Å; W148-E166 HydrophobicContact CH2-CG 4.31Å; W148-E166 HydrophobicContact CZ2-CG 4.02Å; W148-E166 HydrophobicContact CZ3-CG 4.32Å
167	H	87.9	Confident	91.9	Very high	57 Å²	57	51.7 Å²	51.7	26%	0.264	24%	0.244	S	C	.	.			trans	-131.1	153.5	176	-76.3	-74.6	0	0	0	111.9	S54 E101 W148 D165	S54-H167 PolarHBondContact OG-CE1 2.95Å; S54-H167 PolarHBondContact OG-NE2 2.97Å; E101-H167 HydrophobicContact CB-CB 4.49Å; E101-H167 IonicContact OE2-CE1 3.76Å; E101-H167 IonicContact OE2-CG 3.6Å; E101-H167 IonicContact OE2-ND1 2.73Å; E101-H167 PolarHBondContact OE2-ND1 3.22Å; W148-H167 WeakPolarHBondContact CB-O 3.38Å; W148-H167 PolarHBondContact N-O 3.5Å; D165-H167 PolarHBondContact O-N 3.15Å
168	W	92	Very high	92.1	Very high	25 Å²	25	48.8 Å²	48.8	10%	0.095	23%	0.226	C	C	.	.			trans	-65.4	145.4	163	-79.3	84.5	0	0	0	108.5	L69 D70 K72 E101 D145 P147	L69-W168 HydrophobicContact CB-CZ2 4.31Å; L69-W168 HydrophobicContact CD1-CZ2 3.94Å; L69-W168 HydrophobicContact CD2-CZ2 4.1Å; L69-W168 HydrophobicContact CG-CZ2 4.33Å; D70-W168 WeakPolarHBondContact O-CH2 3.48Å; K72-W168 HydrophobicContact CD-CH2 4.1Å; K72-W168 HydrophobicContact CD-CZ3 4.17Å; K72-W168 HydrophobicContact CG-CH2 4.24Å; K72-W168 HydrophobicContact CG-CZ3 4.22Å; E101-W168 PolarHBondContact N-O 3.26Å; D145-W168 HydrophobicContact CB-CE3 3.72Å; D145-W168 HydrophobicContact CB-CZ3 3.82Å; P147-W168 HydrophobicContact CB-CD2 4.36Å; P147-W168 HydrophobicContact CB-CE3 4.45Å; P147-W168 HydrophobicContact CB-CH2 4.32Å; P147-W168 HydrophobicContact CB-CZ2 4.23Å; P147-W168 HydrophobicContact CB-CZ3 4.44Å
169	I	94.7	Very high	92.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131	177	-61.1	170.8	0	0	0	107.8	H99 F106 V146 A151 P163 F171	H99-I169 WeakPolarHBondContact O-CG2 3.46Å; F106-I169 HydrophobicContact CD1-CG2 4.41Å; F106-I169 HydrophobicContact CE1-CG2 3.35Å; F106-I169 HydrophobicContact CZ-CG2 3.78Å; V146-I169 PolarHBondContact N-O 3.2Å; V146-I169 PolarHBondContact O-N 3Å; A151-I169 HydrophobicContact CB-CD1 3.7Å; P163-I169 HydrophobicContact CG-CD1 3.4Å; P163-I169 VanDerWaalsContact CG-CD1 3.4Å; P163-I169 HydrophobicContact CG-CG1 3.98Å; I169-F171 HydrophobicContact CB-CE2 4.14Å; I169-F171 HydrophobicContact CG2-CD2 4.16Å; I169-F171 HydrophobicContact CG2-CE1 4.43Å; I169-F171 HydrophobicContact CG2-CE2 3.48Å; I169-F171 VanDerWaalsContact CG2-CE2 3.48Å; I169-F171 HydrophobicContact CG2-CZ 3.62Å
170	T	97.2	Very high	92.6	Very high	18 Å²	18	51.8 Å²	51.8	11%	0.11	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.7	177.4	-58.4	0	0	0	0	109.6	G98 H99 R143 V144 D145	G98-T170 WeakPolarHBondContact CA-O 3.45Å; H99-T170 PolarHBondContact N-O 3.5Å; H99-T170 PolarHBondContact O-N 3.3Å; R143-T170 HydrophobicContact CG-CG2 3.71Å; R143-T170 VanDerWaalsContact NE-CG2 3.33Å; V144-T170 CarbonylContact O-C 3.55Å; V144-T170 WeakPolarHBondContact O-CA 3.1Å; D145-T170 WeakPolarHBondContact OD1-CG2 3.39Å; D145-T170 PolarHBondContact OD1-OG1 3.32Å
171	F	97.6	Very high	93.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.6	171	-68.5	-83.9	0	0	0	110.8	Y96 E97 F106 I126 L129 R143 V144 V146 F162 I169 V173	Y96-F171 AromaticContact CD2-CD1 3.92Å; Y96-F171 HydrophobicContact CD2-CD1 3.92Å; Y96-F171 HydrophobicContact CD2-CE1 4.14Å; Y96-F171 HydrophobicContact CE2-CE1 4.3Å; E97-F171 CarbonylContact O-C 3.52Å; E97-F171 VanDerWaalsContact O-CA 3.3Å; E97-F171 WeakPolarHBondContact O-CA 3.41Å; F106-F171 AromaticContact CZ-CE1 3.93Å; F106-F171 HydrophobicContact CZ-CE1 3.93Å; F106-F171 AromaticContact CZ-CZ 3.93Å; F106-F171 HydrophobicContact CZ-CZ 3.93Å; I126-F171 HydrophobicContact CD1-CD2 4.37Å; I126-F171 HydrophobicContact CD1-CE2 3.5Å; I126-F171 VanDerWaalsContact CD1-CE2 3.5Å; I126-F171 HydrophobicContact CD1-CZ 3.66Å; L129-F171 HydrophobicContact CD1-CD1 3.87Å; L129-F171 HydrophobicContact CD1-CD2 4.12Å; L129-F171 HydrophobicContact CD1-CE1 4.03Å; L129-F171 HydrophobicContact CD1-CE2 4.27Å; L129-F171 HydrophobicContact CD1-CG 3.92Å; L129-F171 HydrophobicContact CD1-CZ 4.24Å; L129-F171 HydrophobicContact CD2-CB 3.8Å; L129-F171 HydrophobicContact CD2-CD2 3.98Å; L129-F171 HydrophobicContact CD2-CG 3.84Å; L129-F171 HydrophobicContact CG-CD2 4.04Å; L129-F171 HydrophobicContact CG-CE2 4.39Å; L129-F171 HydrophobicContact CG-CG 4.15Å; R143-F171 CarbonylContact C-O 3.59Å; R143-F171 VanDerWaalsContact CA-O 3.27Å; R143-F171 WeakPolarHBondContact CA-O 3.28Å; V144-F171 HydrophobicContact CB-CB 4.47Å; V144-F171 PolarHBondContact N-O 2.93Å; V144-F171 PolarHBondContact O-N 3.32Å; V146-F171 HydrophobicContact CB-CD2 4.4Å; V146-F171 HydrophobicContact CB-CE2 4.29Å; V146-F171 HydrophobicContact CG2-CD2 3.75Å; V146-F171 HydrophobicContact CG2-CE2 4.02Å; F162-F171 HydrophobicContact CE1-CE1 4.21Å; F162-F171 HydrophobicContact CE1-CE2 4.34Å; F162-F171 AromaticContact CE1-CZ 3.45Å; F162-F171 HydrophobicContact CE1-CZ 3.45Å; F162-F171 VanDerWaalsContact CE1-CZ 3.45Å; F162-F171 AromaticContact CZ-CE1 3.75Å; F162-F171 HydrophobicContact CZ-CE1 3.75Å; F162-F171 AromaticContact CZ-CZ 3.46Å; F162-F171 HydrophobicContact CZ-CZ 3.46Å; F162-F171 VanDerWaalsContact CZ-CZ 3.46Å; I169-F171 HydrophobicContact CB-CE2 4.14Å; I169-F171 HydrophobicContact CG2-CD2 4.16Å; I169-F171 HydrophobicContact CG2-CE1 4.43Å; I169-F171 HydrophobicContact CG2-CE2 3.48Å; I169-F171 VanDerWaalsContact CG2-CE2 3.48Å; I169-F171 HydrophobicContact CG2-CZ 3.62Å; F171-V173 HydrophobicContact CB-CG2 4.02Å
172	E	97.8	Very high	93.5	Very high	70 Å²	70	45.3 Å²	45.3	33%	0.327	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.3	163	-66.9	-177.1	-169.8	0	0	107.6	Y96 E97	Y96-E172 CarbonylContact C-O 3.48Å; Y96-E172 WeakPolarHBondContact CA-O 3.34Å; E97-E172 PolarHBondContact N-O 2.82Å; E97-E172 PolarHBondContact O-N 2.98Å
173	V	98	Very high	93.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.9	-173.7	-178.7	0	0	0	0	110.4	F94 H95 L129 L133 I141 L142 F171 V175	F94-V173 HydrophobicContact CB-CG1 3.9Å; F94-V173 HydrophobicContact CD2-CG1 3.58Å; F94-V173 HydrophobicContact CE2-CG1 4.39Å; F94-V173 HydrophobicContact CG-CG1 3.89Å; H95-V173 WeakPolarHBondContact O-CA 3.49Å; L129-V173 HydrophobicContact CD2-CG2 3.89Å; L133-V173 HydrophobicContact CD2-CG1 3.95Å; I141-V173 WeakPolarHBondContact CA-O 3.5Å; L142-V173 HydrophobicContact CD1-CB 3.7Å; L142-V173 HydrophobicContact CD1-CG1 4.34Å; L142-V173 HydrophobicContact CD1-CG2 4.08Å; L142-V173 HydrophobicContact CG-CB 3.88Å; L142-V173 HydrophobicContact CG-CG1 4.48Å; L142-V173 PolarHBondContact N-O 2.77Å; L142-V173 PolarHBondContact O-N 3.07Å; F171-V173 HydrophobicContact CB-CG2 4.02Å; V173-V175 HydrophobicContact CG1-CG2 4.43Å
174	N	97.7	Very high	94.5	Very high	44 Å²	44	50.4 Å²	50.4	24%	0.235	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	106.1	176.1	-179.3	-2.7	0	0	0	109.8	F94 H95 Y110 L176	F94-N174 CarbonylContact C-O 3.58Å; F94-N174 WeakPolarHBondContact CA-O 3.41Å; F94-N174 VanDerWaalsContact CB-O 3.26Å; F94-N174 WeakPolarHBondContact CB-O 3.36Å; H95-N174 PolarHBondContact N-O 3.34Å; H95-N174 PolarHBondContact O-N 3.25Å; Y110-N174 PolarHBondContact OH-ND2 2.76Å; N174-L176 PolarHBondContact O-N 3.01Å
175	V	97.4	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	112.9	-177.5	-178.3	0	0	0	0	109.9	I92 L133 V136 C137 N139 D140 L142 V173 V178	I92-V175 HydrophobicContact CD1-CG1 3.89Å; I92-V175 HydrophobicContact CD1-CG2 4.21Å; I92-V175 HydrophobicContact CG1-CG1 3.98Å; L133-V175 HydrophobicContact CD2-CG2 4.32Å; V136-V175 HydrophobicContact CB-CG2 4.29Å; V136-V175 HydrophobicContact CG2-CG1 4.29Å; V136-V175 HydrophobicContact CG2-CG2 4.01Å; C137-V175 WeakPolarHBondContact O-CG1 3.48Å; N139-V175 WeakPolarHBondContact CA-O 3.44Å; N139-V175 PolarHBondContact N-O 2.71Å; D140-V175 PolarHBondContact O-N 3.27Å; L142-V175 HydrophobicContact CD2-CG2 3.92Å; V173-V175 HydrophobicContact CG1-CG2 4.43Å; V175-V178 HydrophobicContact CG1-CG2 3.87Å
176	L	96.7	Very high	95.8	Very high	55 Å²	55	40 Å²	40	29%	0.288	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-39.6	-177.8	-55.6	-178.6	0	0	0	112.8	T93 P115 K138 N174	T93-L176 HydrophobicContact CG2-CD1 4.34Å; T93-L176 WeakPolarHBondContact O-CA 3.24Å; T93-L176 WeakPolarHBondContact O-CB 3.33Å; T93-L176 PolarHBondContact O-N 3.42Å; P115-L176 HydrophobicContact CB-CD1 3.68Å; P115-L176 HydrophobicContact CG-CD1 4.24Å; K138-L176 VanDerWaalsContact CE-O 3.3Å; K138-L176 WeakPolarHBondContact CE-O 3.4Å; K138-L176 WeakPolarHBondContact CG-O 3.36Å; N174-L176 PolarHBondContact O-N 3.01Å
177	N	96.5	Very high	96.5	Very high	47 Å²	47	36.4 Å²	36.4	25%	0.251	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.9	-178.2	-155.5	36.7	0	0	0	111.9	T93 E179	T93-N177 PolarHBondContact N-O 2.93Å; T93-N177 PolarHBondContact O-N 2.68Å; T93-N177 VanDerWaalsContact O-N 3.08Å; N177-E179 WeakPolarHBondContact ND2-CG 3.31Å; N177-E179 PolarHBondContact ND2-OE2 3.04Å
178	V	96.2	Very high	96.9	Very high	23 Å²	23	41.2 Å²	41.2	14%	0.139	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.5	171.4	178.5	0	0	0	0	107.2	A86 D90 F91 I92 V175	A86-V178 HydrophobicContact CB-CG1 3.59Å; A86-V178 HydrophobicContact CB-CG2 4.12Å; D90-V178 HydrophobicContact CB-CG1 4.46Å; F91-V178 WeakPolarHBondContact O-CA 3.34Å; I92-V178 HydrophobicContact CD1-CG2 4.42Å; I92-V178 HydrophobicContact CG1-CG2 4.3Å; V175-V178 HydrophobicContact CG1-CG2 3.87Å
179	E	96.7	Very high	97.2	Very high	53 Å²	53	42.6 Å²	42.6	25%	0.248	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.9	179.5	-80.6	157.6	76.7	0	0	109.5	D90 F91 R117 N177 W181 L185	D90-E179 WeakPolarHBondContact CA-O 3.45Å; D90-E179 WeakPolarHBondContact CB-O 3.29Å; F91-E179 HydrophobicContact CB-CB 4.13Å; F91-E179 PolarHBondContact N-O 3.39Å; F91-E179 PolarHBondContact O-N 2.78Å; R117-E179 IonicContact CZ-OE1 2.99Å; R117-E179 IonicContact CZ-OE2 3.56Å; R117-E179 IonicContact NH1-OE1 2.92Å; R117-E179 IonicContact NH1-OE2 2.7Å; R117-E179 PolarHBondContact NH1-OE2 3.45Å; R117-E179 IonicContact NH2-OE1 3.76Å; R117-E179 PolarHBondContact NH2-OE1 3.32Å; R117-E179 IonicContact NH2-OE2 3.75Å; N177-E179 WeakPolarHBondContact ND2-CG 3.31Å; N177-E179 PolarHBondContact ND2-OE2 3.04Å; E179-W181 PolarHBondContact O-N 3.02Å; E179-L185 HydrophobicContact CB-CD2 4.13Å
180	P	96.9	Very high	97.3	Very high	53 Å²	53	42.6 Å²	42.6	34%	0.344	21%	0.213	S	C	.	.			trans	-48.9	133.4	171	-34.5	41.1	0	0	0	113.1	R84 D90 T182	R84-P180 VanDerWaalsContact CZ-CB 3.44Å; D90-P180 WeakPolarHBondContact OD1-CA 3.26Å; P180-T182 PolarHBondContact O-N 3.37Å
181	W	97.1	Very high	97.3	Very high	50 Å²	50	42.7 Å²	42.7	19%	0.189	21%	0.212	C	C	.	.			trans	-62.3	134.1	169.5	-178.5	76	0	0	0	111.4	K89 D90 Q119 E179 I253 P275	K89-W181 HydrophobicContact CB-CB 3.7Å; K89-W181 HydrophobicContact CB-CD2 4.17Å; K89-W181 HydrophobicContact CB-CG 3.62Å; K89-W181 HydrophobicContact CD-CD2 4.08Å; K89-W181 HydrophobicContact CD-CE3 4.25Å; K89-W181 HydrophobicContact CD-CG 4.43Å; K89-W181 WeakPolarHBondContact O-CB 3.43Å; D90-W181 PolarHBondContact OD1-N 3.11Å; Q119-W181 VanDerWaalsContact NE2-CD1 3.29Å; E179-W181 PolarHBondContact O-N 3.02Å; W181-I253 HydrophobicContact CH2-CG2 4.38Å; W181-P275 HydrophobicContact CZ2-CB 4.12Å
182	T	97.4	Very high	97.2	Very high	66 Å²	66	46.3 Å²	46.3	41%	0.405	23%	0.232	S	C	.	.			trans	-139	154.2	165.4	65.5	0	0	0	0	108.4	P180 K184 L185 Q186	P180-T182 PolarHBondContact O-N 3.37Å; T182-K184 VanDerWaalsContact C-N 3.28Å; T182-K184 PolarHBondContact O-N 2.75Å; T182-L185 PolarHBondContact O-N 3.26Å; T182-L185 VanDerWaalsContact OG1-CB 3.26Å; T182-L185 WeakPolarHBondContact OG1-CB 3.5Å; T182-L185 PolarHBondContact OG1-N 3.33Å; T182-Q186 WeakPolarHBondContact O-CB 3.09Å; T182-Q186 PolarHBondContact O-N 2.82Å
183	S	96.9	Very high	97.1	Very high	26 Å²	26	47.1 Å²	47.1	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-54.5	-46.3	173	44.3	0	0	0	0	111.3	L185 Q186 F187 Y249 E250	S183-L185 PolarHBondContact O-N 3.3Å; S183-Q186 WeakPolarHBondContact O-CB 3.24Å; S183-Q186 PolarHBondContact O-N 3.5Å; S183-F187 WeakPolarHBondContact O-CB 3.14Å; S183-F187 PolarHBondContact O-N 2.66Å; S183-Y249 WeakPolarHBondContact O-CE1 3.44Å; S183-E250 PolarHBondContact OG-OE1 2.79Å
184	K	97.7	Very high	97	Very high	134 Å²	134	51 Å²	51	58%	0.583	27%	0.271	S	S	*	.	H	α-helix	trans	-58	-43.8	175.5	-176.6	172.1	-177.5	171.7	0	114.1	T182 K188 L246 E250	T182-K184 VanDerWaalsContact C-N 3.28Å; T182-K184 PolarHBondContact O-N 2.75Å; K184-K188 PolarHBondContact O-N 3.14Å; K184-K188 VanDerWaalsContact O-N 3.11Å; K184-L246 HydrophobicContact CB-CD1 4.35Å; K184-L246 HydrophobicContact CD-CD2 4.38Å; K184-L246 HydrophobicContact CG-CD1 4.39Å; K184-L246 HydrophobicContact CG-CD2 4.14Å; K184-E250 PolarHBondContact N-OE1 3.34Å
185	L	97.7	Very high	97	Very high	32 Å²	32	52.8 Å²	52.8	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-40.9	177.7	-179.7	59.9	0	0	0	111	F91 E179 T182 S183 F187 K188 E189	F91-L185 HydrophobicContact CD2-CD2 3.57Å; F91-L185 HydrophobicContact CD2-CG 4.07Å; F91-L185 HydrophobicContact CE2-CD2 3.91Å; F91-L185 HydrophobicContact CE2-CG 3.92Å; F91-L185 HydrophobicContact CG-CD2 4.48Å; E179-L185 HydrophobicContact CB-CD2 4.13Å; T182-L185 PolarHBondContact O-N 3.26Å; T182-L185 VanDerWaalsContact OG1-CB 3.26Å; T182-L185 WeakPolarHBondContact OG1-CB 3.5Å; T182-L185 PolarHBondContact OG1-N 3.33Å; S183-L185 PolarHBondContact O-N 3.3Å; L185-F187 PolarHBondContact O-N 2.8Å; L185-K188 PolarHBondContact O-N 3.29Å; L185-E189 HydrophobicContact CD1-CG 4.37Å; L185-E189 VanDerWaalsContact O-CG 3.25Å; L185-E189 WeakPolarHBondContact O-CG 3.25Å; L185-E189 PolarHBondContact O-N 3.3Å
186	Q	98	Very high	96.9	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-44	176.4	-176.4	64.2	59.8	0	0	112.3	T182 S183 E189 M190 Y249 P275	T182-Q186 WeakPolarHBondContact O-CB 3.09Å; T182-Q186 PolarHBondContact O-N 2.82Å; S183-Q186 WeakPolarHBondContact O-CB 3.24Å; S183-Q186 PolarHBondContact O-N 3.5Å; Q186-E189 PolarHBondContact O-N 2.89Å; Q186-M190 HydrophobicContact CG-CE 4.14Å; Q186-M190 WeakPolarHBondContact O-CG 3.45Å; Q186-M190 PolarHBondContact O-N 2.97Å; Q186-Y249 WeakPolarHBondContact CG-OH 3.43Å; Q186-P275 VanDerWaalsContact CG-O 3.24Å; Q186-P275 WeakPolarHBondContact CG-O 3.49Å
187	F	98.3	Very high	97	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-52.3	174.3	-176.4	-81.7	0	0	0	110.5	S183 L185 E189 M190 D191 G196 L198 V244 L246 Y249	S183-F187 WeakPolarHBondContact O-CB 3.14Å; S183-F187 PolarHBondContact O-N 2.66Å; L185-F187 PolarHBondContact O-N 2.8Å; F187-E189 PolarHBondContact O-N 3.48Å; F187-M190 PolarHBondContact O-N 3.26Å; F187-D191 HydrophobicContact CD1-CB 4.4Å; F187-D191 HydrophobicContact CE1-CB 4.23Å; F187-D191 PolarHBondContact O-N 2.91Å; F187-G196 VanDerWaalsContact CZ-O 3.31Å; F187-G196 WeakPolarHBondContact CZ-O 3.31Å; F187-L198 HydrophobicContact CD2-CD1 3.59Å; F187-L198 HydrophobicContact CD2-CG 3.87Å; F187-L198 HydrophobicContact CE1-CG 4.43Å; F187-L198 HydrophobicContact CE2-CD1 3.66Å; F187-L198 HydrophobicContact CE2-CD2 4.37Å; F187-L198 HydrophobicContact CE2-CG 3.51Å; F187-L198 HydrophobicContact CG-CD1 4.35Å; F187-L198 HydrophobicContact CG-CG 4.5Å; F187-L198 HydrophobicContact CZ-CD1 4.43Å; F187-L198 HydrophobicContact CZ-CD2 4.38Å; F187-L198 HydrophobicContact CZ-CG 3.81Å; F187-V244 WeakPolarHBondContact CE2-O 3.13Å; F187-V244 WeakPolarHBondContact CZ-O 3.34Å; F187-L246 HydrophobicContact CB-CD1 3.75Å; F187-L246 HydrophobicContact CD1-CB 4.38Å; F187-L246 HydrophobicContact CD1-CD1 4.07Å; F187-L246 HydrophobicContact CD2-CB 4.42Å; F187-L246 HydrophobicContact CD2-CD1 4.02Å; F187-L246 HydrophobicContact CE1-CB 4.24Å; F187-L246 HydrophobicContact CE2-CB 4.24Å; F187-L246 HydrophobicContact CG-CB 4.48Å; F187-L246 HydrophobicContact CG-CD1 3.67Å; F187-L246 HydrophobicContact CZ-CB 4.16Å; F187-Y249 HydrophobicContact CB-CD1 3.91Å; F187-Y249 HydrophobicContact CB-CE1 3.99Å; F187-Y249 AromaticContact CD2-CD1 3.78Å; F187-Y249 HydrophobicContact CD2-CD1 3.78Å; F187-Y249 HydrophobicContact CD2-CD2 4.44Å; F187-Y249 HydrophobicContact CD2-CE1 4.48Å; F187-Y249 AromaticContact CD2-CG 3.73Å; F187-Y249 HydrophobicContact CD2-CG 3.73Å; F187-Y249 HydrophobicContact CE2-CG 4.48Å; F187-Y249 HydrophobicContact CG-CD1 4.34Å
188	K	97.5	Very high	97.1	Very high	158 Å²	158	53.5 Å²	53.5	69%	0.687	29%	0.286	S	S	*	.	H	α-helix	trans	-59.7	-30.2	179	-174.1	-179.9	178	-176.1	0	113.7	K184 L185 M190	K184-K188 PolarHBondContact O-N 3.14Å; K184-K188 VanDerWaalsContact O-N 3.11Å; L185-K188 PolarHBondContact O-N 3.29Å; K188-M190 VanDerWaalsContact C-N 3.3Å
189	E	96.6	Very high	97.2	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-76.7	-18.6	177.7	-69.6	-83.8	171.7	0	0	113	F91 R117 L185 Q186 F187	F91-E189 HydrophobicContact CE1-CB 4.39Å; F91-E189 HydrophobicContact CE1-CG 3.83Å; F91-E189 HydrophobicContact CE2-CG 4.36Å; F91-E189 HydrophobicContact CZ-CB 4.23Å; F91-E189 HydrophobicContact CZ-CG 3.71Å; R117-E189 IonicContact CZ-OE1 2.88Å; R117-E189 VanDerWaalsContact CZ-OE1 3.24Å; R117-E189 IonicContact NE-OE1 3.87Å; R117-E189 PolarHBondContact NE-OE1 3.2Å; R117-E189 IonicContact NE-OE2 3.77Å; R117-E189 IonicContact NH2-OE1 3.91Å; R117-E189 PolarHBondContact NH2-OE1 3.47Å; L185-E189 HydrophobicContact CD1-CG 4.37Å; L185-E189 VanDerWaalsContact O-CG 3.25Å; L185-E189 WeakPolarHBondContact O-CG 3.25Å; L185-E189 PolarHBondContact O-N 3.3Å; Q186-E189 PolarHBondContact O-N 2.89Å; F187-E189 PolarHBondContact O-N 3.48Å
190	M	97.6	Very high	97.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-98	-28.4	177	-63	-175.7	-55.9	0	0	112.6	Q186 F187 K188 N192 L198 T206 F232 Y249 V277	Q186-M190 HydrophobicContact CG-CE 4.14Å; Q186-M190 WeakPolarHBondContact O-CG 3.45Å; Q186-M190 PolarHBondContact O-N 2.97Å; F187-M190 PolarHBondContact O-N 3.26Å; K188-M190 VanDerWaalsContact C-N 3.3Å; M190-N192 PolarHBondContact O-N 3.42Å; M190-N192 VanDerWaalsContact O-N 3.11Å; M190-N192 PolarHBondContact O-ND2 3.29Å; M190-L198 HydrophobicContact CB-CD1 4.49Å; M190-L198 HydrophobicContact CB-CD2 3.71Å; M190-L198 HydrophobicContact CE-CD1 3.74Å; M190-T206 HydrophobicContact CG-CG2 4.14Å; M190-F232 HydrophobicContact CE-CZ 3.88Å; M190-F232 HydrophobicContact SD-CZ 4.28Å; M190-Y249 HydrophobicContact CE-CE2 3.84Å; M190-Y249 WeakPolarHBondContact CE-OH 3.37Å; M190-V277 HydrophobicContact SD-CG2 4.39Å
191	D	97.8	Very high	97.3	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.102	30%	0.295	C	S	.	.			trans	-70.5	95	172.8	176.2	-0.5	0	0	0	109.4	F187 N193 A194 D195 G196 L198	F187-D191 HydrophobicContact CD1-CB 4.4Å; F187-D191 HydrophobicContact CE1-CB 4.23Å; F187-D191 PolarHBondContact O-N 2.91Å; D191-N193 PolarHBondContact OD1-OD1 2.63Å; D191-A194 WeakPolarHBondContact OD1-CA 3.41Å; D191-A194 PolarHBondContact OD1-N 3.32Å; D191-A194 WeakPolarHBondContact OD2-CA 3.22Å; D191-D195 PolarHBondContact OD1-N 3.38Å; D191-G196 WeakPolarHBondContact OD2-CA 3.34Å; D191-G196 PolarHBondContact OD2-N 3.26Å; D191-G196 VanDerWaalsContact OD2-N 3.07Å; D191-L198 HydrophobicContact CB-CD2 3.79Å; D191-L198 VanDerWaalsContact N-CD2 3.28Å
192	N	94.8	Very high	97.3	Very high	76 Å²	76	54 Å²	54	41%	0.406	29%	0.288	S	S	.	.	S	Bend	trans	-83.4	-25.4	-171.3	-69.5	-69.6	0	0	0	112.5	M190 D202 A205	M190-N192 PolarHBondContact O-N 3.42Å; M190-N192 VanDerWaalsContact O-N 3.11Å; M190-N192 PolarHBondContact O-ND2 3.29Å; N192-D202 PolarHBondContact N-OD1 2.98Å; N192-D202 PolarHBondContact ND2-O 3.21Å; N192-A205 WeakPolarHBondContact ND2-CB 3.41Å
193	N	95.1	Very high	97.4	Very high	87 Å²	87	50.9 Å²	50.9	47%	0.465	27%	0.268	S	S	.	.	S	Bend	trans	-95.2	-7.6	180	72.6	9.2	0	0	0	112.9	D191 D195	D191-N193 PolarHBondContact OD1-OD1 2.63Å; N193-D195 VanDerWaalsContact C-N 3.26Å; N193-D195 VanDerWaalsContact ND2-CG 3.34Å; N193-D195 PolarHBondContact ND2-OD2 3.02Å; N193-D195 PolarHBondContact O-N 3.28Å; N193-D195 VanDerWaalsContact OD1-CB 3.31Å; N193-D195 WeakPolarHBondContact OD1-CB 3.19Å; N193-D195 PolarHBondContact OD1-N 2.69Å; N193-D195 PolarHBondContact OD1-OD1 3.03Å; N193-D195 PolarHBondContact OD1-OD2 2.87Å
194	A	96.4	Very high	97.4	Very high	84 Å²	84	53 Å²	53	69%	0.694	28%	0.275	S	S	*	.			trans	59.1	31	-179.4	0	0	0	0	0	114	D191 G196	D191-A194 WeakPolarHBondContact OD1-CA 3.41Å; D191-A194 PolarHBondContact OD1-N 3.32Å; D191-A194 WeakPolarHBondContact OD2-CA 3.22Å; A194-G196 VanDerWaalsContact C-N 3.33Å
195	D	96.8	Very high	97.4	Very high	81 Å²	81	48.5 Å²	48.5	43%	0.433	26%	0.263	S	S	.	.	S	Bend	trans	-85.5	-7	179	76	12.2	0	0	0	113.5	D191 N193 Y197	D191-D195 PolarHBondContact OD1-N 3.38Å; N193-D195 VanDerWaalsContact C-N 3.26Å; N193-D195 VanDerWaalsContact ND2-CG 3.34Å; N193-D195 PolarHBondContact ND2-OD2 3.02Å; N193-D195 PolarHBondContact O-N 3.28Å; N193-D195 VanDerWaalsContact OD1-CB 3.31Å; N193-D195 WeakPolarHBondContact OD1-CB 3.19Å; N193-D195 PolarHBondContact OD1-N 2.69Å; N193-D195 PolarHBondContact OD1-OD1 3.03Å; N193-D195 PolarHBondContact OD1-OD2 2.87Å; D195-Y197 WeakPolarHBondContact OD1-CA 3.45Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.42Å; D195-Y197 PolarHBondContact OD1-N 3.13Å
196	G	97.2	Very high	97.4	Very high	32 Å²	32	47.4 Å²	47.4	33%	0.33	26%	0.258	S	S	.	.	S	Bend	trans	89.5	8.1	178.7	0	0	0	0	0	114.8	F187 D191 A194	F187-G196 VanDerWaalsContact CZ-O 3.31Å; F187-G196 WeakPolarHBondContact CZ-O 3.31Å; D191-G196 WeakPolarHBondContact OD2-CA 3.34Å; D191-G196 PolarHBondContact OD2-N 3.26Å; D191-G196 VanDerWaalsContact OD2-N 3.07Å; A194-G196 VanDerWaalsContact C-N 3.33Å
197	Y	98.2	Very high	97.3	Very high	84 Å²	84	48 Å²	48	33%	0.329	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.4	174.8	-59.8	-88.8	0	0	0	110.5	D195 K243 V244	D195-Y197 WeakPolarHBondContact OD1-CA 3.45Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.42Å; D195-Y197 PolarHBondContact OD1-N 3.13Å; Y197-K243 HydrophobicContact CD1-CB 4.39Å; Y197-K243 HydrophobicContact CD1-CD 3.54Å; Y197-K243 HydrophobicContact CD1-CG 3.88Å; Y197-K243 HydrophobicContact CD2-CD 4.49Å; Y197-K243 HydrophobicContact CE1-CD 3.97Å; Y197-K243 HydrophobicContact CG-CD 3.84Å; Y197-K243 HydrophobicContact CG-CG 4.41Å; Y197-V244 CarbonylContact C-O 3.54Å; Y197-V244 WeakPolarHBondContact CA-O 3.39Å
198	L	98.4	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.2	164.3	-55.4	171.4	0	0	0	108.1	F187 M190 D191 D202 I203 F232 V244 Y249	F187-L198 HydrophobicContact CD2-CD1 3.59Å; F187-L198 HydrophobicContact CD2-CG 3.87Å; F187-L198 HydrophobicContact CE1-CG 4.43Å; F187-L198 HydrophobicContact CE2-CD1 3.66Å; F187-L198 HydrophobicContact CE2-CD2 4.37Å; F187-L198 HydrophobicContact CE2-CG 3.51Å; F187-L198 HydrophobicContact CG-CD1 4.35Å; F187-L198 HydrophobicContact CG-CG 4.5Å; F187-L198 HydrophobicContact CZ-CD1 4.43Å; F187-L198 HydrophobicContact CZ-CD2 4.38Å; F187-L198 HydrophobicContact CZ-CG 3.81Å; M190-L198 HydrophobicContact CB-CD1 4.49Å; M190-L198 HydrophobicContact CB-CD2 3.71Å; M190-L198 HydrophobicContact CE-CD1 3.74Å; D191-L198 HydrophobicContact CB-CD2 3.79Å; D191-L198 VanDerWaalsContact N-CD2 3.28Å; L198-D202 HydrophobicContact CD2-CB 4.49Å; L198-I203 HydrophobicContact CB-CD1 4.33Å; L198-I203 HydrophobicContact CD1-CD1 4.44Å; L198-F232 HydrophobicContact CD1-CE1 4.07Å; L198-F232 HydrophobicContact CD1-CZ 4.45Å; L198-V244 HydrophobicContact CB-CB 4.16Å; L198-V244 PolarHBondContact N-O 2.91Å; L198-V244 PolarHBondContact O-N 2.65Å; L198-Y249 HydrophobicContact CD1-CD2 4.34Å
199	T	97.9	Very high	97.2	Very high	25 Å²	25	45.9 Å²	45.9	15%	0.153	26%	0.26	C	S	.	.			trans	-100.6	178.1	174.3	74.3	0	0	0	0	111.3	E201 D202 I203 K243	T199-E201 VanDerWaalsContact CB-OE2 3.25Å; T199-E201 WeakPolarHBondContact CB-OE2 3.25Å; T199-E201 PolarHBondContact O-N 2.86Å; T199-E201 PolarHBondContact OG1-N 2Å; T199-E201 PolarHBondContact OG1-OE2 3.38Å; T199-D202 PolarHBondContact N-OD2 2.89Å; T199-D202 PolarHBondContact O-N 2.81Å; T199-D202 PolarHBondContact OG1-OD2 2.76Å; T199-I203 WeakPolarHBondContact O-CG1 3.37Å; T199-I203 PolarHBondContact O-N 3.34Å; T199-K243 HydrophobicContact CG2-CB 4.21Å
200	L	97.5	Very high	97.2	Very high	36 Å²	36	44 Å²	44	19%	0.188	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-44.5	172	178.9	60.4	0	0	0	111.4	D202 I203 E204 A229 L230	L200-D202 VanDerWaalsContact C-N 3.34Å; L200-D202 PolarHBondContact O-N 3.36Å; L200-I203 PolarHBondContact O-N 3.27Å; L200-E204 HydrophobicContact CD1-CG 4.35Å; L200-E204 WeakPolarHBondContact O-CG 3.4Å; L200-E204 PolarHBondContact O-N 3.44Å; L200-A229 HydrophobicContact CD1-CB 3.56Å; L200-L230 HydrophobicContact CD1-CB 4.44Å; L200-L230 HydrophobicContact CD1-CD2 3.83Å; L200-L230 HydrophobicContact CD1-CG 3.79Å; L200-L230 HydrophobicContact CD2-CD2 3.75Å; L200-L230 HydrophobicContact CD2-CG 4.32Å; L200-L230 HydrophobicContact CG-CD2 4.39Å
201	E	97.8	Very high	97	Very high	124 Å²	124	48.8 Å²	48.8	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-62.2	-39.1	-179.5	-62	79.7	-171.5	0	0	112.3	T199 A205	T199-E201 VanDerWaalsContact CB-OE2 3.25Å; T199-E201 WeakPolarHBondContact CB-OE2 3.25Å; T199-E201 PolarHBondContact O-N 2.86Å; T199-E201 PolarHBondContact OG1-N 2Å; T199-E201 PolarHBondContact OG1-OE2 3.38Å; E201-A205 WeakPolarHBondContact O-CB 3.23Å; E201-A205 PolarHBondContact O-N 2.91Å
202	D	98.3	Very high	96.9	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.032	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-41.9	177.7	-74	-53.6	0	0	0	112.5	N192 L198 T199 L200 A205 T206	N192-D202 PolarHBondContact N-OD1 2.98Å; N192-D202 PolarHBondContact ND2-O 3.21Å; L198-D202 HydrophobicContact CD2-CB 4.49Å; T199-D202 PolarHBondContact N-OD2 2.89Å; T199-D202 PolarHBondContact O-N 2.81Å; T199-D202 PolarHBondContact OG1-OD2 2.76Å; L200-D202 VanDerWaalsContact C-N 3.34Å; L200-D202 PolarHBondContact O-N 3.36Å; D202-A205 PolarHBondContact O-N 2.9Å; D202-T206 WeakPolarHBondContact O-CB 2.85Å; D202-T206 PolarHBondContact O-N 2.83Å; D202-T206 PolarHBondContact O-OG1 3.11Å
203	I	98	Very high	96.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-72.6	-40.4	-179.3	-56.9	-55.7	0	0	0	110.7	L198 T199 L200 T206 L207 A229 F232 V233 V277	L198-I203 HydrophobicContact CB-CD1 4.33Å; L198-I203 HydrophobicContact CD1-CD1 4.44Å; T199-I203 WeakPolarHBondContact O-CG1 3.37Å; T199-I203 PolarHBondContact O-N 3.34Å; L200-I203 PolarHBondContact O-N 3.27Å; I203-T206 WeakPolarHBondContact O-CB 3.43Å; I203-T206 PolarHBondContact O-N 2.87Å; I203-L207 HydrophobicContact CG2-CD1 4.42Å; I203-L207 WeakPolarHBondContact O-CG 3.4Å; I203-L207 PolarHBondContact O-N 3.43Å; I203-A229 HydrophobicContact CB-CB 3.95Å; I203-A229 HydrophobicContact CG2-CB 3.67Å; I203-F232 HydrophobicContact CD1-CD1 3.49Å; I203-F232 VanDerWaalsContact CD1-CD1 3.49Å; I203-F232 HydrophobicContact CD1-CE1 3.38Å; I203-F232 HydrophobicContact CD1-CG 4.19Å; I203-F232 HydrophobicContact CD1-CZ 3.97Å; I203-F232 HydrophobicContact CG1-CD1 3.58Å; I203-F232 HydrophobicContact CG1-CE1 4Å; I203-F232 HydrophobicContact CG1-CG 4.21Å; I203-F232 HydrophobicContact CG2-CB 4.11Å; I203-F232 HydrophobicContact CG2-CD1 4.42Å; I203-F232 HydrophobicContact CG2-CG 4.2Å; I203-V233 HydrophobicContact CG1-CG2 4.43Å; I203-V277 HydrophobicContact CG2-CB 4.45Å; I203-V277 HydrophobicContact CG2-CG1 3.63Å; I203-V277 HydrophobicContact CG2-CG2 3.89Å
204	E	97.5	Very high	97	Very high	69 Å²	69	48.3 Å²	48.3	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-44.5	172.2	-73.3	-172.8	157	0	0	112	L200 T206 L207 A208 H226 A229	L200-E204 HydrophobicContact CD1-CG 4.35Å; L200-E204 WeakPolarHBondContact O-CG 3.4Å; L200-E204 PolarHBondContact O-N 3.44Å; E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 PolarHBondContact O-N 3.41Å; E204-L207 PolarHBondContact O-N 2.99Å; E204-A208 VanDerWaalsContact O-CB 3.29Å; E204-A208 WeakPolarHBondContact O-CB 2.98Å; E204-A208 PolarHBondContact O-N 3.31Å; E204-H226 IonicContact OE1-CE1 3.52Å; E204-H226 IonicContact OE1-CG 3.24Å; E204-H226 IonicContact OE1-ND1 2.76Å; E204-H226 PolarHBondContact OE1-ND1 2.87Å; E204-A229 HydrophobicContact CG-CB 3.75Å
205	A	97.7	Very high	96.8	Very high	41 Å²	41	44.9 Å²	44.9	34%	0.339	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-39.5	175.4	0	0	0	0	0	111.6	N192 E201 D202 A208 K209	N192-A205 WeakPolarHBondContact ND2-CB 3.41Å; E201-A205 WeakPolarHBondContact O-CB 3.23Å; E201-A205 PolarHBondContact O-N 2.91Å; D202-A205 PolarHBondContact O-N 2.9Å; A205-A208 PolarHBondContact O-N 2.92Å; A205-K209 VanDerWaalsContact O-CB 3.29Å; A205-K209 WeakPolarHBondContact O-CB 3.4Å; A205-K209 PolarHBondContact O-N 3.39Å
206	T	97.5	Very high	96.7	Very high	9 Å²	9	42 Å²	42	6%	0.055	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-49.1	174.3	-61.7	0	0	0	0	111.6	M190 D202 I203 E204 A208 K209 E210 V277	M190-T206 HydrophobicContact CG-CG2 4.14Å; D202-T206 WeakPolarHBondContact O-CB 2.85Å; D202-T206 PolarHBondContact O-N 2.83Å; D202-T206 PolarHBondContact O-OG1 3.11Å; I203-T206 WeakPolarHBondContact O-CB 3.43Å; I203-T206 PolarHBondContact O-N 2.87Å; E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 PolarHBondContact O-N 3.41Å; T206-A208 VanDerWaalsContact C-N 3.34Å; T206-A208 PolarHBondContact O-N 2.94Å; T206-K209 WeakPolarHBondContact O-CB 2.87Å; T206-K209 PolarHBondContact O-N 2.91Å; T206-E210 WeakPolarHBondContact O-CG 3.47Å; T206-E210 PolarHBondContact O-N 2.97Å; T206-V277 HydrophobicContact CG2-CG2 3.79Å
207	L	97	Very high	96.5	Very high	15 Å²	15	42 Å²	42	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-41.4	176.9	-71.8	172	0	0	0	111.8	I203 E204 E210 K211 Y218 P225 M228 A229 V277	I203-L207 HydrophobicContact CG2-CD1 4.42Å; I203-L207 WeakPolarHBondContact O-CG 3.4Å; I203-L207 PolarHBondContact O-N 3.43Å; E204-L207 PolarHBondContact O-N 2.99Å; L207-E210 PolarHBondContact O-N 2.99Å; L207-K211 WeakPolarHBondContact O-CB 3.48Å; L207-K211 PolarHBondContact O-N 2.7Å; L207-Y218 HydrophobicContact CD2-CD2 4.16Å; L207-Y218 HydrophobicContact CD2-CE2 3.92Å; L207-P225 HydrophobicContact CD1-CB 4.15Å; L207-P225 WeakPolarHBondContact CD1-O 3.46Å; L207-M228 HydrophobicContact CD1-CB 4.41Å; L207-M228 HydrophobicContact CD1-SD 4.34Å; L207-M228 HydrophobicContact CD2-SD 4.03Å; L207-A229 HydrophobicContact CD1-CB 4.37Å; L207-V277 HydrophobicContact CD1-CG1 4.31Å; L207-V277 HydrophobicContact CD2-CB 4.04Å; L207-V277 HydrophobicContact CD2-CG1 3.96Å; L207-V277 HydrophobicContact CD2-CG2 4.21Å; L207-V277 HydrophobicContact CG-CG1 4.21Å; L207-V277 HydrophobicContact CG-CG2 4.29Å
208	A	96.8	Very high	96.1	Very high	43 Å²	43	39.3 Å²	39.3	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-63.5	-42.4	176.1	0	0	0	0	0	111.6	E204 A205 T206 K211 N212	E204-A208 VanDerWaalsContact O-CB 3.29Å; E204-A208 WeakPolarHBondContact O-CB 2.98Å; E204-A208 PolarHBondContact O-N 3.31Å; A205-A208 PolarHBondContact O-N 2.92Å; T206-A208 VanDerWaalsContact C-N 3.34Å; T206-A208 PolarHBondContact O-N 2.94Å; A208-K211 PolarHBondContact O-N 2.87Å; A208-N212 VanDerWaalsContact O-CB 3.22Å; A208-N212 WeakPolarHBondContact O-CB 3.49Å; A208-N212 PolarHBondContact O-N 3.14Å; A208-N212 PolarHBondContact O-ND2 2.73Å
209	K	96.2	Very high	95.5	Very high	78 Å²	78	42.7 Å²	42.7	34%	0.339	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-49.2	174.2	-178.7	-178.5	177.4	-175.6	0	111.5	A205 T206 K211 N212 E213	A205-K209 VanDerWaalsContact O-CB 3.29Å; A205-K209 WeakPolarHBondContact O-CB 3.4Å; A205-K209 PolarHBondContact O-N 3.39Å; T206-K209 WeakPolarHBondContact O-CB 2.87Å; T206-K209 PolarHBondContact O-N 2.91Å; K209-K211 VanDerWaalsContact C-N 3.28Å; K209-K211 PolarHBondContact O-N 2.96Å; K209-N212 PolarHBondContact O-N 3.42Å; K209-E213 HydrophobicContact CG-CG 4.4Å; K209-E213 VanDerWaalsContact O-CB 3.31Å; K209-E213 WeakPolarHBondContact O-CB 3.37Å; K209-E213 PolarHBondContact O-N 3.05Å
210	E	95.7	Very high	94.9	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-57	-41	176.9	-73.6	-166.5	173.6	0	0	111.8	L124 T206 L207 Y214 G215 K216 S276	L124-E210 HydrophobicContact CD2-CB 4.39Å; L124-E210 HydrophobicContact CD2-CG 4.02Å; T206-E210 WeakPolarHBondContact O-CG 3.47Å; T206-E210 PolarHBondContact O-N 2.97Å; L207-E210 PolarHBondContact O-N 2.99Å; E210-Y214 CarbonylContact O-C 3.36Å; E210-Y214 WeakPolarHBondContact O-CA 3.44Å; E210-Y214 WeakPolarHBondContact O-CB 3.43Å; E210-Y214 PolarHBondContact O-N 2.9Å; E210-G215 PolarHBondContact O-N 3.47Å; E210-K216 CarbonylContact C-O 3.55Å; E210-K216 HydrophobicContact CB-CB 4.32Å; E210-K216 PolarHBondContact O-N 3.31Å; E210-K216 IonicContact OE1-NZ 3.28Å; E210-K216 WeakPolarHBondContact OE2-CD 3.46Å; E210-K216 WeakPolarHBondContact OE2-CE 3.29Å; E210-K216 IonicContact OE2-NZ 2.73Å; E210-K216 PolarHBondContact OE2-NZ 2.87Å; E210-S276 PolarHBondContact OE1-OG 3.39Å
211	K	95.2	Very high	94.5	Very high	103 Å²	103	46.3 Å²	46.3	45%	0.448	26%	0.261	S	S	.	.	H	α-helix	trans	-70.7	-53	177.1	179.3	-178.8	175.7	-174.8	0	112.8	L207 A208 K209 G215 K216 A217	L207-K211 WeakPolarHBondContact O-CB 3.48Å; L207-K211 PolarHBondContact O-N 2.7Å; A208-K211 PolarHBondContact O-N 2.87Å; K209-K211 VanDerWaalsContact C-N 3.28Å; K209-K211 PolarHBondContact O-N 2.96Å; K211-G215 WeakPolarHBondContact O-CA 3.17Å; K211-G215 PolarHBondContact O-N 2.86Å; K211-K216 WeakPolarHBondContact CA-O 3.21Å; K211-K216 PolarHBondContact N-O 3.44Å; K211-K216 VanDerWaalsContact N-O 3.17Å; K211-A217 HydrophobicContact CB-CB 4.5Å; K211-A217 HydrophobicContact CG-CB 4.23Å
212	N	95.7	Very high	94.1	Very high	95 Å²	95	42.6 Å²	42.6	51%	0.508	26%	0.256	S	S	.	.	H	α-helix	trans	-76.9	-42.1	-169.7	-65.7	-22.8	0	0	0	111.8	S156 T157 A208 K209	S156-N212 WeakPolarHBondContact CB-O 3.46Å; T157-N212 PolarHBondContact N-O 2.69Å; T157-N212 PolarHBondContact OG1-O 2.83Å; A208-N212 VanDerWaalsContact O-CB 3.22Å; A208-N212 WeakPolarHBondContact O-CB 3.49Å; A208-N212 PolarHBondContact O-N 3.14Å; A208-N212 PolarHBondContact O-ND2 2.73Å; K209-N212 PolarHBondContact O-N 3.42Å
213	E	95	Very high	93.8	Very high	58 Å²	58	42.5 Å²	42.5	27%	0.271	26%	0.255	S	S	.	.	H	α-helix	trans	-81	-43.4	-179.4	-68.5	-166.7	-145.9	0	0	112.3	S156 K158 K209	S156-E213 WeakPolarHBondContact CB-O 3.39Å; S156-E213 PolarHBondContact OG-O 3.11Å; K158-E213 VanDerWaalsContact CB-O 3.31Å; K158-E213 WeakPolarHBondContact CB-O 3.35Å; K158-E213 WeakPolarHBondContact CE-OE2 3.41Å; K158-E213 HydrophobicContact CG-CB 4.26Å; K158-E213 WeakPolarHBondContact CG-O 3.38Å; K158-E213 PolarHBondContact N-O 2.66Å; K209-E213 HydrophobicContact CG-CG 4.4Å; K209-E213 VanDerWaalsContact O-CB 3.31Å; K209-E213 WeakPolarHBondContact O-CB 3.37Å; K209-E213 PolarHBondContact O-N 3.05Å
214	Y	95.5	Very high	93.6	Very high	19 Å²	19	45.9 Å²	45.9	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-110.4	-13.5	-171	-56.4	-78.1	0	0	0	113.4	I116 R117 I118 L124 R153 S156 K158 W159 E210 K216	I116-Y214 HydrophobicContact CG2-CE1 4.46Å; R117-Y214 PolarHBondContact O-OH 3.28Å; I118-Y214 HydrophobicContact CG2-CD1 3.87Å; I118-Y214 HydrophobicContact CG2-CE1 3.44Å; I118-Y214 VanDerWaalsContact CG2-CE1 3.44Å; L124-Y214 HydrophobicContact CB-CD1 4.26Å; L124-Y214 HydrophobicContact CB-CG 4.24Å; L124-Y214 HydrophobicContact CD2-CD2 4.12Å; L124-Y214 HydrophobicContact CD2-CG 4.05Å; L124-Y214 VanDerWaalsContact O-CD1 3.25Å; L124-Y214 WeakPolarHBondContact O-CD1 3.49Å; R153-Y214 PolarHBondContact NE-O 3.43Å; R153-Y214 PolarHBondContact NH2-O 3.01Å; S156-Y214 VanDerWaalsContact CB-C 3.46Å; K158-Y214 HydrophobicContact CG-CD1 4.32Å; K158-Y214 HydrophobicContact CG-CE1 3.99Å; W159-Y214 HydrophobicContact CZ2-CD1 4.19Å; W159-Y214 AromaticContact NE1-CD1 3.81Å; E210-Y214 CarbonylContact O-C 3.36Å; E210-Y214 WeakPolarHBondContact O-CA 3.44Å; E210-Y214 WeakPolarHBondContact O-CB 3.43Å; E210-Y214 PolarHBondContact O-N 2.9Å; Y214-K216 VanDerWaalsContact C-N 3.27Å; Y214-K216 PolarHBondContact O-N 3.46Å
215	G	93.7	Very high	93.5	Very high	12 Å²	12	45.2 Å²	45.2	12%	0.124	28%	0.275	C	S	.	.			trans	77.9	11.5	-179.1	0	0	0	0	0	113.7	E210 K211	E210-G215 PolarHBondContact O-N 3.47Å; K211-G215 WeakPolarHBondContact O-CA 3.17Å; K211-G215 PolarHBondContact O-N 2.86Å
216	K	94.3	Very high	93.4	Very high	20 Å²	20	47.4 Å²	47.4	9%	0.087	28%	0.278	C	S	.	.			trans	-84.4	122.8	176.1	179.4	-180	173.5	-165.6	0	108.9	V122 L124 E210 K211 Y214 Y218 D274	V122-K216 WeakPolarHBondContact O-CE 3.5Å; V122-K216 PolarHBondContact O-NZ 3.41Å; V122-K216 VanDerWaalsContact O-NZ 3.14Å; L124-K216 HydrophobicContact CD2-CB 4.17Å; L124-K216 HydrophobicContact CD2-CD 3.75Å; E210-K216 CarbonylContact C-O 3.55Å; E210-K216 HydrophobicContact CB-CB 4.32Å; E210-K216 PolarHBondContact O-N 3.31Å; E210-K216 IonicContact OE1-NZ 3.28Å; E210-K216 WeakPolarHBondContact OE2-CD 3.46Å; E210-K216 WeakPolarHBondContact OE2-CE 3.29Å; E210-K216 IonicContact OE2-NZ 2.73Å; E210-K216 PolarHBondContact OE2-NZ 2.87Å; K211-K216 WeakPolarHBondContact CA-O 3.21Å; K211-K216 PolarHBondContact N-O 3.44Å; K211-K216 VanDerWaalsContact N-O 3.17Å; Y214-K216 VanDerWaalsContact C-N 3.27Å; Y214-K216 PolarHBondContact O-N 3.46Å; K216-Y218 WeakPolarHBondContact CE-OH 3.21Å; K216-Y218 PolarHBondContact NZ-OH 3.19Å; K216-D274 IonicContact NZ-OD2 3.69Å; K216-D274 PolarHBondContact NZ-OD2 2.87Å
217	A	93.1	Very high	93.2	Very high	33 Å²	33	49.3 Å²	49.3	27%	0.273	29%	0.286	S	S	.	.			trans	-151.8	150.6	178.8	0	0	0	0	0	110.3	K211 T219	K211-A217 HydrophobicContact CB-CB 4.5Å; K211-A217 HydrophobicContact CG-CB 4.23Å; A217-T219 HydrophobicContact CB-CG2 4.49Å
218	Y	90	Very high	93.2	Very high	26 Å²	26	48.7 Å²	48.7	10%	0.102	28%	0.283	C	S	.	.	S	Bend	trans	-95.8	0.8	178.7	-57.8	-80.5	0	0	0	113.1	L207 K216 G220 F221 M228 L281	L207-Y218 HydrophobicContact CD2-CD2 4.16Å; L207-Y218 HydrophobicContact CD2-CE2 3.92Å; K216-Y218 WeakPolarHBondContact CE-OH 3.21Å; K216-Y218 PolarHBondContact NZ-OH 3.19Å; Y218-G220 PolarHBondContact O-N 2.96Å; Y218-F221 PolarHBondContact O-N 2.96Å; Y218-M228 HydrophobicContact CD2-CE 3.91Å; Y218-M228 HydrophobicContact CD2-SD 3.57Å; Y218-M228 VanDerWaalsContact CD2-SD 3.57Å; Y218-M228 HydrophobicContact CE1-CE 4.44Å; Y218-M228 HydrophobicContact CE2-CE 3.76Å; Y218-M228 HydrophobicContact CE2-SD 3.93Å; Y218-M228 HydrophobicContact CG-CE 4.31Å; Y218-M228 HydrophobicContact CG-SD 4.11Å; Y218-L281 HydrophobicContact CD1-CD1 3.82Å; Y218-L281 HydrophobicContact CE1-CD1 3.44Å; Y218-L281 VanDerWaalsContact CE1-CD1 3.44Å
219	T	84.4	Confident	93.2	Very high	71 Å²	71	46.6 Å²	46.6	44%	0.436	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.4	-19.2	-177.1	58.7	0	0	0	0	114.5	A217 F221 G222	A217-T219 HydrophobicContact CB-CG2 4.49Å; T219-F221 PolarHBondContact O-N 3.46Å; T219-G222 PolarHBondContact O-N 3.38Å; T219-G222 VanDerWaalsContact O-N 3.16Å
220	G	86.1	Confident	93.1	Very high	66 Å²	66	45.3 Å²	45.3	68%	0.68	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.6	174.7	0	0	0	0	0	114	Y218	Y218-G220 PolarHBondContact O-N 2.96Å
221	F	88.9	Confident	93.2	Very high	71 Å²	71	45.3 Å²	45.3	31%	0.311	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-104.9	12.2	177	-57.6	-78.3	0	0	0	112.4	Y218 T219 I223 Y291 L294	Y218-F221 PolarHBondContact O-N 2.96Å; T219-F221 PolarHBondContact O-N 3.46Å; F221-I223 HydrophobicContact CB-CD1 3.93Å; F221-I223 HydrophobicContact CB-CG1 4.14Å; F221-I223 PolarHBondContact O-N 2.91Å; F221-Y291 HydrophobicContact CE1-CD2 4.1Å; F221-Y291 AromaticContact CE1-CE2 3.93Å; F221-Y291 HydrophobicContact CE1-CE2 3.93Å; F221-L294 WeakPolarHBondContact CB-O 3.5Å; F221-L294 HydrophobicContact CD1-CB 3.69Å; F221-L294 HydrophobicContact CD2-CB 4.19Å; F221-L294 HydrophobicContact CD2-CD2 4.37Å; F221-L294 HydrophobicContact CE1-CB 3.74Å; F221-L294 HydrophobicContact CE1-CD1 4.04Å; F221-L294 HydrophobicContact CE1-CG 4.48Å; F221-L294 HydrophobicContact CE2-CB 4.24Å; F221-L294 HydrophobicContact CE2-CD1 3.86Å; F221-L294 HydrophobicContact CE2-CD2 4.31Å; F221-L294 HydrophobicContact CE2-CG 4.37Å; F221-L294 HydrophobicContact CG-CB 3.93Å; F221-L294 HydrophobicContact CZ-CB 4.03Å; F221-L294 HydrophobicContact CZ-CD1 3.56Å; F221-L294 HydrophobicContact CZ-CG 4.31Å
222	G	89.5	Confident	93.3	Very high	46 Å²	46	40.4 Å²	40.4	47%	0.474	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	13.1	-176.7	0	0	0	0	0	114.5	T219 D224	T219-G222 PolarHBondContact O-N 3.38Å; T219-G222 VanDerWaalsContact O-N 3.16Å; G222-D224 PolarHBondContact O-N 2.9Å
223	I	92.5	Very high	93.3	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	22%	0.219	C	C	.	.			trans	-73.2	123	177	-65.1	163.8	0	0	0	109.4	F221 M228 L281 A297 F301	F221-I223 HydrophobicContact CB-CD1 3.93Å; F221-I223 HydrophobicContact CB-CG1 4.14Å; F221-I223 PolarHBondContact O-N 2.91Å; I223-M228 HydrophobicContact CG2-CB 4.03Å; I223-M228 HydrophobicContact CG2-CG 4.4Å; I223-M228 HydrophobicContact CG2-SD 4.13Å; I223-L281 HydrophobicContact CD1-CD2 4.17Å; I223-A297 HydrophobicContact CD1-CB 3.61Å; I223-A297 HydrophobicContact CG1-CB 3.86Å; I223-F301 HydrophobicContact CG1-CE2 4.47Å; I223-F301 HydrophobicContact CG2-CD2 3.91Å; I223-F301 HydrophobicContact CG2-CE2 3.74Å
224	D	93.6	Very high	93.4	Very high	71 Å²	71	40.8 Å²	40.8	38%	0.38	23%	0.234	S	C	.	.			trans	-79.6	129.9	172.4	-177.4	-93.6	0	0	0	111	G222 H226 E227 M228	G222-D224 PolarHBondContact O-N 2.9Å; D224-H226 VanDerWaalsContact C-N 3.32Å; D224-H226 PolarHBondContact O-N 2.84Å; D224-H226 WeakPolarHBondContact OD1-CA 3.49Å; D224-H226 VanDerWaalsContact OD1-CB 3.23Å; D224-H226 WeakPolarHBondContact OD1-CB 3.44Å; D224-H226 PolarHBondContact OD1-N 3.01Å; D224-E227 HydrophobicContact CB-CB 4.18Å; D224-E227 HydrophobicContact CB-CG 4.05Å; D224-E227 PolarHBondContact O-N 3.46Å; D224-E227 PolarHBondContact OD1-N 3.17Å; D224-E227 VanDerWaalsContact OD1-N 3.08Å; D224-M228 WeakPolarHBondContact O-CB 3.37Å; D224-M228 PolarHBondContact O-N 3.4Å
225	P	94.9	Very high	93.4	Very high	55 Å²	55	41.8 Å²	41.8	36%	0.357	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-34.1	-178.9	-25.1	35.1	0	0	0	114.6	L207 A229	L207-P225 HydrophobicContact CD1-CB 4.15Å; L207-P225 WeakPolarHBondContact CD1-O 3.46Å; P225-A229 WeakPolarHBondContact O-CB 3.12Å; P225-A229 PolarHBondContact O-N 3.05Å
226	H	95.1	Very high	93.6	Very high	87 Å²	87	41.3 Å²	41.3	40%	0.403	23%	0.232	S	C	.	.	H	α-helix	trans	-72.5	-45.4	-179.7	175.2	80.3	0	0	0	110.4	E204 D224 M228 A229 L230	E204-H226 IonicContact OE1-CE1 3.52Å; E204-H226 IonicContact OE1-CG 3.24Å; E204-H226 IonicContact OE1-ND1 2.76Å; E204-H226 PolarHBondContact OE1-ND1 2.87Å; D224-H226 VanDerWaalsContact C-N 3.32Å; D224-H226 PolarHBondContact O-N 2.84Å; D224-H226 WeakPolarHBondContact OD1-CA 3.49Å; D224-H226 VanDerWaalsContact OD1-CB 3.23Å; D224-H226 WeakPolarHBondContact OD1-CB 3.44Å; D224-H226 PolarHBondContact OD1-N 3.01Å; H226-M228 VanDerWaalsContact C-N 3.3Å; H226-M228 PolarHBondContact O-N 2.97Å; H226-A229 PolarHBondContact O-N 2.84Å; H226-A229 VanDerWaalsContact O-N 3.16Å; H226-L230 WeakPolarHBondContact NE2-CD1 3.41Å; H226-L230 WeakPolarHBondContact O-CG 3.29Å; H226-L230 PolarHBondContact O-N 3.44Å
227	E	94.7	Very high	93.7	Very high	49 Å²	49	41.1 Å²	41.1	23%	0.229	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-40.9	174.1	-66.4	-173.7	155	0	0	111.9	D224 L230 Y231 F301 H302	D224-E227 HydrophobicContact CB-CB 4.18Å; D224-E227 HydrophobicContact CB-CG 4.05Å; D224-E227 PolarHBondContact O-N 3.46Å; D224-E227 PolarHBondContact OD1-N 3.17Å; D224-E227 VanDerWaalsContact OD1-N 3.08Å; E227-L230 PolarHBondContact O-N 2.99Å; E227-Y231 WeakPolarHBondContact O-CB 3.41Å; E227-Y231 PolarHBondContact O-N 3.5Å; E227-F301 HydrophobicContact CB-CB 4.06Å; E227-H302 IonicContact OE1-CE1 3.5Å; E227-H302 IonicContact OE1-CG 2.79Å; E227-H302 IonicContact OE1-ND1 3.99Å; E227-H302 PolarHBondContact OE1-ND1 3.05Å
228	M	95.6	Very high	93.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-41.3	175.5	-171.5	179.6	-169.4	0	0	112	L207 Y218 I223 D224 H226 Y231 F232 V277 I280 L281 F301	L207-M228 HydrophobicContact CD1-CB 4.41Å; L207-M228 HydrophobicContact CD1-SD 4.34Å; L207-M228 HydrophobicContact CD2-SD 4.03Å; Y218-M228 HydrophobicContact CD2-CE 3.91Å; Y218-M228 HydrophobicContact CD2-SD 3.57Å; Y218-M228 VanDerWaalsContact CD2-SD 3.57Å; Y218-M228 HydrophobicContact CE1-CE 4.44Å; Y218-M228 HydrophobicContact CE2-CE 3.76Å; Y218-M228 HydrophobicContact CE2-SD 3.93Å; Y218-M228 HydrophobicContact CG-CE 4.31Å; Y218-M228 HydrophobicContact CG-SD 4.11Å; I223-M228 HydrophobicContact CG2-CB 4.03Å; I223-M228 HydrophobicContact CG2-CG 4.4Å; I223-M228 HydrophobicContact CG2-SD 4.13Å; D224-M228 WeakPolarHBondContact O-CB 3.37Å; D224-M228 PolarHBondContact O-N 3.4Å; H226-M228 VanDerWaalsContact C-N 3.3Å; H226-M228 PolarHBondContact O-N 2.97Å; M228-Y231 PolarHBondContact O-N 3.49Å; M228-F232 WeakPolarHBondContact O-CB 3.44Å; M228-F232 PolarHBondContact O-N 2.64Å; M228-V277 HydrophobicContact CE-CG1 4.01Å; M228-V277 HydrophobicContact CG-CG1 4.28Å; M228-V277 HydrophobicContact SD-CG1 4.32Å; M228-I280 HydrophobicContact CE-CD1 4.18Å; M228-I280 HydrophobicContact CE-CG1 4.34Å; M228-I280 HydrophobicContact CG-CD1 3.83Å; M228-I280 WeakPolarHBondContact O-CD1 3.44Å; M228-L281 HydrophobicContact CE-CD1 3.85Å; M228-L281 HydrophobicContact CE-CD2 4.2Å; M228-L281 HydrophobicContact CE-CG 3.96Å; M228-F301 HydrophobicContact CB-CD2 4.11Å; M228-F301 HydrophobicContact CB-CE2 3.94Å; M228-F301 HydrophobicContact CG-CD2 4.41Å; M228-F301 HydrophobicContact CG-CE2 3.75Å; M228-F301 HydrophobicContact CG-CZ 4.14Å
229	A	96.8	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.4	-43.5	178.8	0	0	0	0	0	112	L200 I203 E204 L207 P225 H226 Y231 F232 V233	L200-A229 HydrophobicContact CD1-CB 3.56Å; I203-A229 HydrophobicContact CB-CB 3.95Å; I203-A229 HydrophobicContact CG2-CB 3.67Å; E204-A229 HydrophobicContact CG-CB 3.75Å; L207-A229 HydrophobicContact CD1-CB 4.37Å; P225-A229 WeakPolarHBondContact O-CB 3.12Å; P225-A229 PolarHBondContact O-N 3.05Å; H226-A229 PolarHBondContact O-N 2.84Å; H226-A229 VanDerWaalsContact O-N 3.16Å; A229-Y231 PolarHBondContact O-N 3.41Å; A229-F232 WeakPolarHBondContact O-CB 3.37Å; A229-F232 PolarHBondContact O-N 2.73Å; A229-V233 PolarHBondContact O-N 2.87Å
230	L	96	Very high	94.7	Very high	51 Å²	51	49 Å²	49	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-58.7	-46	172.7	-77.4	172.5	0	0	0	111.9	L200 H226 E227 F232 V233 R234	L200-L230 HydrophobicContact CD1-CB 4.44Å; L200-L230 HydrophobicContact CD1-CD2 3.83Å; L200-L230 HydrophobicContact CD1-CG 3.79Å; L200-L230 HydrophobicContact CD2-CD2 3.75Å; L200-L230 HydrophobicContact CD2-CG 4.32Å; L200-L230 HydrophobicContact CG-CD2 4.39Å; H226-L230 WeakPolarHBondContact NE2-CD1 3.41Å; H226-L230 WeakPolarHBondContact O-CG 3.29Å; H226-L230 PolarHBondContact O-N 3.44Å; E227-L230 PolarHBondContact O-N 2.99Å; L230-F232 VanDerWaalsContact C-N 3.3Å; L230-F232 PolarHBondContact O-N 3.23Å; L230-V233 PolarHBondContact O-N 2.76Å; L230-R234 WeakPolarHBondContact O-CG 3.35Å; L230-R234 PolarHBondContact O-N 3.37Å; L230-R234 VanDerWaalsContact O-N 3.12Å
231	Y	96.1	Very high	95.2	Very high	12 Å²	12	49 Å²	49	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-39.9	177.2	-171	-84.1	0	0	0	111.3	E227 M228 A229 R234 Y235 I280 F283 I300 F301 F305	E227-Y231 WeakPolarHBondContact O-CB 3.41Å; E227-Y231 PolarHBondContact O-N 3.5Å; M228-Y231 PolarHBondContact O-N 3.49Å; A229-Y231 PolarHBondContact O-N 3.41Å; Y231-R234 PolarHBondContact O-N 3.45Å; Y231-Y235 AromaticContact CE1-CD2 3.97Å; Y231-Y235 HydrophobicContact CE1-CD2 3.97Å; Y231-Y235 VanDerWaalsContact O-CB 3.25Å; Y231-Y235 WeakPolarHBondContact O-CB 3.39Å; Y231-Y235 PolarHBondContact O-N 2.96Å; Y231-I280 HydrophobicContact CD1-CB 3.96Å; Y231-I280 HydrophobicContact CD1-CD1 3.94Å; Y231-I280 HydrophobicContact CD1-CG1 4.23Å; Y231-I280 HydrophobicContact CD1-CG2 4.39Å; Y231-I280 HydrophobicContact CE1-CB 4Å; Y231-F283 HydrophobicContact CE1-CE1 4.43Å; Y231-I300 HydrophobicContact CE2-CG2 3.92Å; Y231-F301 AromaticContact CD1-CD1 3.87Å; Y231-F301 HydrophobicContact CD1-CD1 3.87Å; Y231-F301 AromaticContact CD1-CE1 3.65Å; Y231-F301 HydrophobicContact CD1-CE1 3.65Å; Y231-F301 AromaticContact CD2-CD1 3.62Å; Y231-F301 HydrophobicContact CD2-CD1 3.62Å; Y231-F301 HydrophobicContact CD2-CE1 4.24Å; Y231-F301 HydrophobicContact CE1-CD1 4.36Å; Y231-F301 HydrophobicContact CE1-CE1 4.02Å; Y231-F301 HydrophobicContact CE2-CD1 4.14Å; Y231-F301 AromaticContact CG-CD1 3.45Å; Y231-F301 HydrophobicContact CG-CD1 3.45Å; Y231-F301 VanDerWaalsContact CG-CD1 3.45Å; Y231-F301 AromaticContact CG-CE1 3.75Å; Y231-F301 HydrophobicContact CG-CE1 3.75Å; Y231-F301 HydrophobicContact CG-CG 4.43Å; Y231-F305 HydrophobicContact CD1-CZ 4.41Å; Y231-F305 HydrophobicContact CD2-CZ 4.29Å; Y231-F305 AromaticContact CE1-CE1 3.9Å; Y231-F305 HydrophobicContact CE1-CE1 3.9Å; Y231-F305 HydrophobicContact CE1-CZ 4.03Å; Y231-F305 HydrophobicContact CE2-CD1 4.04Å; Y231-F305 AromaticContact CE2-CE1 3.74Å; Y231-F305 HydrophobicContact CE2-CE1 3.74Å; Y231-F305 HydrophobicContact CE2-CE2 4.39Å; Y231-F305 HydrophobicContact CE2-CG 4.46Å; Y231-F305 AromaticContact CE2-CZ 3.9Å; Y231-F305 HydrophobicContact CE2-CZ 3.9Å; Y231-F305 AromaticContact CZ-CD1 3.93Å; Y231-F305 AromaticContact CZ-CE1 3.36Å; Y231-F305 AromaticContact CZ-CZ 3.77Å; Y231-F305 VanDerWaalsContact OH-CE1 3.24Å; Y231-F305 WeakPolarHBondContact OH-CE1 3.28Å
232	F	97.3	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-52.6	175.7	-175	-80.6	0	0	0	111.8	M190 L198 I203 M228 A229 L230 R234 Y235 F236 Y249 V277 I280	M190-F232 HydrophobicContact CE-CZ 3.88Å; M190-F232 HydrophobicContact SD-CZ 4.28Å; L198-F232 HydrophobicContact CD1-CE1 4.07Å; L198-F232 HydrophobicContact CD1-CZ 4.45Å; I203-F232 HydrophobicContact CD1-CD1 3.49Å; I203-F232 VanDerWaalsContact CD1-CD1 3.49Å; I203-F232 HydrophobicContact CD1-CE1 3.38Å; I203-F232 HydrophobicContact CD1-CG 4.19Å; I203-F232 HydrophobicContact CD1-CZ 3.97Å; I203-F232 HydrophobicContact CG1-CD1 3.58Å; I203-F232 HydrophobicContact CG1-CE1 4Å; I203-F232 HydrophobicContact CG1-CG 4.21Å; I203-F232 HydrophobicContact CG2-CB 4.11Å; I203-F232 HydrophobicContact CG2-CD1 4.42Å; I203-F232 HydrophobicContact CG2-CG 4.2Å; M228-F232 WeakPolarHBondContact O-CB 3.44Å; M228-F232 PolarHBondContact O-N 2.64Å; A229-F232 WeakPolarHBondContact O-CB 3.37Å; A229-F232 PolarHBondContact O-N 2.73Å; L230-F232 VanDerWaalsContact C-N 3.3Å; L230-F232 PolarHBondContact O-N 3.23Å; F232-R234 PolarHBondContact O-N 2.82Å; F232-Y235 WeakPolarHBondContact O-CB 3.3Å; F232-Y235 PolarHBondContact O-N 3.08Å; F232-Y235 VanDerWaalsContact O-N 3.13Å; F232-F236 AromaticContact CD1-CD2 3.94Å; F232-F236 HydrophobicContact CD1-CD2 3.94Å; F232-F236 HydrophobicContact CD1-CE2 4.41Å; F232-F236 HydrophobicContact CD2-CD2 4.16Å; F232-F236 AromaticContact CD2-CE2 3.85Å; F232-F236 HydrophobicContact CD2-CE2 3.85Å; F232-F236 AromaticContact CE1-CD2 3.65Å; F232-F236 HydrophobicContact CE1-CD2 3.65Å; F232-F236 HydrophobicContact CE1-CE2 4.02Å; F232-F236 AromaticContact CE2-CD2 3.9Å; F232-F236 HydrophobicContact CE2-CD2 3.9Å; F232-F236 AromaticContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CE2-CZ 4.35Å; F232-F236 HydrophobicContact CG-CD2 4.19Å; F232-F236 HydrophobicContact CG-CE2 4.34Å; F232-F236 AromaticContact CZ-CD2 3.64Å; F232-F236 HydrophobicContact CZ-CD2 3.64Å; F232-F236 AromaticContact CZ-CE2 3.5Å; F232-F236 HydrophobicContact CZ-CE2 3.5Å; F232-F236 HydrophobicContact CZ-CZ 4.39Å; F232-F236 WeakPolarHBondContact O-CD2 3.36Å; F232-F236 PolarHBondContact O-N 2.81Å; F232-Y249 AromaticContact CZ-CE2 3.97Å; F232-Y249 HydrophobicContact CZ-CE2 3.97Å; F232-V277 HydrophobicContact CB-CG1 4.42Å; F232-V277 HydrophobicContact CD2-CB 4.37Å; F232-V277 HydrophobicContact CD2-CG1 3.89Å; F232-V277 HydrophobicContact CG-CG1 4.38Å; F232-I280 HydrophobicContact CB-CD1 3.94Å; F232-I280 HydrophobicContact CB-CG2 4.48Å; F232-I280 HydrophobicContact CD2-CD1 4.33Å; F232-I280 HydrophobicContact CD2-CG2 3.83Å; F232-I280 HydrophobicContact CG-CG2 4.45Å
233	V	97.3	Very high	95.9	Very high	10 Å²	10	54.3 Å²	54.3	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-53.4	-179.3	174.4	0	0	0	0	109.5	I203 A229 L230 Y235 F236 D237 V244	I203-V233 HydrophobicContact CG1-CG2 4.43Å; A229-V233 PolarHBondContact O-N 2.87Å; L230-V233 PolarHBondContact O-N 2.76Å; V233-Y235 PolarHBondContact O-N 2.79Å; V233-Y235 VanDerWaalsContact O-N 3.14Å; V233-F236 PolarHBondContact O-N 2.7Å; V233-F236 VanDerWaalsContact O-N 3.1Å; V233-D237 HydrophobicContact CG1-CB 4.33Å; V233-D237 WeakPolarHBondContact O-CB 3.3Å; V233-D237 PolarHBondContact O-N 3.25Å; V233-V244 HydrophobicContact CG1-CG2 4.24Å
234	R	95.8	Very high	96.2	Very high	152 Å²	152	54 Å²	54	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-62.9	-23.8	179.9	-61.7	174.6	178.4	174.4	0.9	114.3	L230 Y231 F232 F305	L230-R234 WeakPolarHBondContact O-CG 3.35Å; L230-R234 PolarHBondContact O-N 3.37Å; L230-R234 VanDerWaalsContact O-N 3.12Å; Y231-R234 PolarHBondContact O-N 3.45Å; F232-R234 PolarHBondContact O-N 2.82Å; R234-F305 HydrophobicContact CB-CE2 3.64Å; R234-F305 HydrophobicContact CB-CZ 4.4Å
235	Y	96.2	Very high	96.4	Very high	39 Å²	39	51.8 Å²	51.8	15%	0.153	26%	0.259	C	S	.	.	H	α-helix	trans	-71.6	-33.2	177.8	-176.2	-90.1	0	0	0	112.3	Y231 F232 V233 K252 D256 I280 F305	Y231-Y235 AromaticContact CE1-CD2 3.97Å; Y231-Y235 HydrophobicContact CE1-CD2 3.97Å; Y231-Y235 VanDerWaalsContact O-CB 3.25Å; Y231-Y235 WeakPolarHBondContact O-CB 3.39Å; Y231-Y235 PolarHBondContact O-N 2.96Å; F232-Y235 WeakPolarHBondContact O-CB 3.3Å; F232-Y235 PolarHBondContact O-N 3.08Å; F232-Y235 VanDerWaalsContact O-N 3.13Å; V233-Y235 PolarHBondContact O-N 2.79Å; V233-Y235 VanDerWaalsContact O-N 3.14Å; Y235-K252 HydrophobicContact CD1-CG 4.15Å; Y235-K252 HydrophobicContact CE1-CD 4.21Å; Y235-K252 HydrophobicContact CE1-CG 3.86Å; Y235-K252 WeakPolarHBondContact O-CE 3.31Å; Y235-K252 PolarHBondContact OH-NZ 3.24Å; Y235-D256 VanDerWaalsContact CE1-OD2 3.28Å; Y235-D256 WeakPolarHBondContact CE1-OD2 3.49Å; Y235-D256 PolarHBondContact OH-OD1 2.9Å; Y235-D256 VanDerWaalsContact OH-OD1 3.1Å; Y235-D256 PolarHBondContact OH-OD2 2.93Å; Y235-I280 HydrophobicContact CD1-CG2 4.03Å; Y235-I280 HydrophobicContact CD2-CG2 4.39Å; Y235-I280 HydrophobicContact CG-CG2 3.92Å; Y235-F305 VanDerWaalsContact CA-CZ 3.5Å; Y235-F305 AromaticContact CD2-CE1 3.77Å; Y235-F305 HydrophobicContact CD2-CE1 3.77Å; Y235-F305 HydrophobicContact CD2-CZ 4.04Å; Y235-F305 HydrophobicContact CG-CZ 4.42Å
236	F	97.5	Very high	96.5	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-105.4	-28.9	-174.7	-74	-77.5	0	0	0	113.4	F232 V233 S238 V244 E248 Y249 K252 I253 W279 I280	F232-F236 AromaticContact CD1-CD2 3.94Å; F232-F236 HydrophobicContact CD1-CD2 3.94Å; F232-F236 HydrophobicContact CD1-CE2 4.41Å; F232-F236 HydrophobicContact CD2-CD2 4.16Å; F232-F236 AromaticContact CD2-CE2 3.85Å; F232-F236 HydrophobicContact CD2-CE2 3.85Å; F232-F236 AromaticContact CE1-CD2 3.65Å; F232-F236 HydrophobicContact CE1-CD2 3.65Å; F232-F236 HydrophobicContact CE1-CE2 4.02Å; F232-F236 AromaticContact CE2-CD2 3.9Å; F232-F236 HydrophobicContact CE2-CD2 3.9Å; F232-F236 AromaticContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CE2-CE2 3.4Å; F232-F236 HydrophobicContact CE2-CZ 4.35Å; F232-F236 HydrophobicContact CG-CD2 4.19Å; F232-F236 HydrophobicContact CG-CE2 4.34Å; F232-F236 AromaticContact CZ-CD2 3.64Å; F232-F236 HydrophobicContact CZ-CD2 3.64Å; F232-F236 AromaticContact CZ-CE2 3.5Å; F232-F236 HydrophobicContact CZ-CE2 3.5Å; F232-F236 HydrophobicContact CZ-CZ 4.39Å; F232-F236 WeakPolarHBondContact O-CD2 3.36Å; F232-F236 PolarHBondContact O-N 2.81Å; V233-F236 PolarHBondContact O-N 2.7Å; V233-F236 VanDerWaalsContact O-N 3.1Å; F236-S238 PolarHBondContact O-N 2.89Å; F236-V244 HydrophobicContact CB-CB 4.31Å; F236-V244 HydrophobicContact CB-CG1 3.54Å; F236-V244 HydrophobicContact CB-CG2 3.76Å; F236-E248 WeakPolarHBondContact O-CB 3.44Å; F236-Y249 AromaticContact CD1-CD2 3.63Å; F236-Y249 HydrophobicContact CD1-CD2 3.63Å; F236-Y249 HydrophobicContact CD1-CE2 4.22Å; F236-Y249 HydrophobicContact CD1-CG 4.46Å; F236-Y249 HydrophobicContact CD2-CD2 4.43Å; F236-Y249 AromaticContact CE1-CD2 3.69Å; F236-Y249 HydrophobicContact CE1-CD2 3.69Å; F236-Y249 AromaticContact CE1-CE2 3.85Å; F236-Y249 HydrophobicContact CE1-CE2 3.85Å; F236-Y249 HydrophobicContact CE2-CD2 4.48Å; F236-Y249 HydrophobicContact CE2-CE2 4.27Å; F236-Y249 HydrophobicContact CG-CD2 4.04Å; F236-Y249 HydrophobicContact CZ-CD2 4.13Å; F236-Y249 AromaticContact CZ-CE2 3.87Å; F236-Y249 HydrophobicContact CZ-CE2 3.87Å; F236-K252 HydrophobicContact CD1-CB 3.63Å; F236-K252 HydrophobicContact CD1-CG 3.55Å; F236-K252 HydrophobicContact CE1-CB 3.97Å; F236-K252 HydrophobicContact CE1-CG 3.73Å; F236-K252 HydrophobicContact CG-CG 4.42Å; F236-I253 HydrophobicContact CE1-CG1 3.94Å; F236-I253 HydrophobicContact CZ-CG1 4.47Å; F236-W279 AromaticContact CZ-CD1 3.6Å; F236-W279 HydrophobicContact CZ-CG 4.15Å; F236-I280 HydrophobicContact CE2-CG2 4.09Å
237	D	97.2	Very high	96.7	Very high	16 Å²	16	50.5 Å²	50.5	9%	0.086	26%	0.257	C	S	.	.			trans	-66.9	111.1	175.8	177.9	0.2	0	0	0	109.5	V233 D239 N240 D241 E242 V244	V233-D237 HydrophobicContact CG1-CB 4.33Å; V233-D237 WeakPolarHBondContact O-CB 3.3Å; V233-D237 PolarHBondContact O-N 3.25Å; D237-D239 PolarHBondContact OD1-N 2.94Å; D237-N240 WeakPolarHBondContact OD1-CA 3.4Å; D237-N240 PolarHBondContact OD1-N 3.21Å; D237-N240 WeakPolarHBondContact OD2-CA 3.27Å; D237-D241 PolarHBondContact OD1-N 2.9Å; D237-D241 PolarHBondContact OD2-N 3.05Å; D237-E242 WeakPolarHBondContact OD2-CA 3.44Å; D237-E242 PolarHBondContact OD2-N 2.96Å; D237-V244 HydrophobicContact CB-CG2 4.19Å
238	S	95.9	Very high	96.8	Very high	68 Å²	68	48.4 Å²	48.4	48%	0.476	25%	0.248	S	C	.	.	S	Bend	trans	-101.1	-24	-172.7	72.4	0	0	0	0	113.1	F236 E248	F236-S238 PolarHBondContact O-N 2.89Å; S238-E248 WeakPolarHBondContact CB-OE1 3.38Å; S238-E248 PolarHBondContact N-OE1 3.17Å; S238-E248 WeakPolarHBondContact OG-CG 3.35Å; S238-E248 PolarHBondContact OG-OE1 2.85Å
239	D	96.3	Very high	97	Very high	97 Å²	97	48.4 Å²	48.4	52%	0.519	25%	0.247	S	C	.	.	S	Bend	trans	-101.3	-2.7	178.3	64.5	15.2	0	0	0	113.5	D237 D241 E248	D237-D239 PolarHBondContact OD1-N 2.94Å; D239-D241 WeakPolarHBondContact OD1-CB 3.26Å; D239-D241 PolarHBondContact OD1-N 2.97Å; D239-E248 PolarHBondContact N-OE1 3.07Å
240	N	95	Very high	97	Very high	131 Å²	131	51.7 Å²	51.7	70%	0.701	26%	0.263	S	S	*	.			trans	63.3	37.8	178.7	-49.3	-90.4	0	0	0	112.7	D237 E242	D237-N240 WeakPolarHBondContact OD1-CA 3.4Å; D237-N240 PolarHBondContact OD1-N 3.21Å; D237-N240 WeakPolarHBondContact OD2-CA 3.27Å; N240-E242 VanDerWaalsContact C-N 3.28Å
241	D	96.7	Very high	97.1	Very high	65 Å²	65	56.6 Å²	56.6	35%	0.348	28%	0.278	S	S	.	.	S	Bend	trans	-90.6	11.1	175.8	82.3	-8.2	0	0	0	113.9	D237 D239 K243	D237-D241 PolarHBondContact OD1-N 2.9Å; D237-D241 PolarHBondContact OD2-N 3.05Å; D239-D241 WeakPolarHBondContact OD1-CB 3.26Å; D239-D241 PolarHBondContact OD1-N 2.97Å; D241-K243 VanDerWaalsContact CG-CE 3.48Å; D241-K243 PolarHBondContact O-N 3.25Å; D241-K243 WeakPolarHBondContact OD1-CG 3.32Å; D241-K243 PolarHBondContact OD1-N 2.98Å; D241-K243 WeakPolarHBondContact OD2-CE 3.32Å; D241-K243 IonicContact OD2-NZ 3.62Å
242	E	95.8	Very high	97.2	Very high	163 Å²	163	59.1 Å²	59.1	76%	0.762	29%	0.289	S	S	*	.	S	Bend	trans	68.4	12	177.2	-55.5	-177	164.2	0	0	114.6	D237 N240	D237-E242 WeakPolarHBondContact OD2-CA 3.44Å; D237-E242 PolarHBondContact OD2-N 2.96Å; N240-E242 VanDerWaalsContact C-N 3.28Å
243	K	97.5	Very high	97.2	Very high	65 Å²	65	59.3 Å²	59.3	28%	0.283	29%	0.29	S	S	.	.	S	Bend	trans	-140.6	166.2	175.4	57.7	-176.5	179.3	176.3	0	109.2	Y197 T199 D241	Y197-K243 HydrophobicContact CD1-CB 4.39Å; Y197-K243 HydrophobicContact CD1-CD 3.54Å; Y197-K243 HydrophobicContact CD1-CG 3.88Å; Y197-K243 HydrophobicContact CD2-CD 4.49Å; Y197-K243 HydrophobicContact CE1-CD 3.97Å; Y197-K243 HydrophobicContact CG-CD 3.84Å; Y197-K243 HydrophobicContact CG-CG 4.41Å; T199-K243 HydrophobicContact CG2-CB 4.21Å; D241-K243 VanDerWaalsContact CG-CE 3.48Å; D241-K243 PolarHBondContact O-N 3.25Å; D241-K243 WeakPolarHBondContact OD1-CG 3.32Å; D241-K243 PolarHBondContact OD1-N 2.98Å; D241-K243 WeakPolarHBondContact OD2-CE 3.32Å; D241-K243 IonicContact OD2-NZ 3.62Å
244	V	98.3	Very high	97.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113.5	-177.7	-177.1	0	0	0	0	108.8	F187 Y197 L198 V233 F236 D237 E248	F187-V244 WeakPolarHBondContact CE2-O 3.13Å; F187-V244 WeakPolarHBondContact CZ-O 3.34Å; Y197-V244 CarbonylContact C-O 3.54Å; Y197-V244 WeakPolarHBondContact CA-O 3.39Å; L198-V244 HydrophobicContact CB-CB 4.16Å; L198-V244 PolarHBondContact N-O 2.91Å; L198-V244 PolarHBondContact O-N 2.65Å; V233-V244 HydrophobicContact CG1-CG2 4.24Å; F236-V244 HydrophobicContact CB-CB 4.31Å; F236-V244 HydrophobicContact CB-CG1 3.54Å; F236-V244 HydrophobicContact CB-CG2 3.76Å; D237-V244 HydrophobicContact CB-CG2 4.19Å; V244-E248 HydrophobicContact CG1-CB 4.33Å
245	S	98.3	Very high	97.2	Very high	23 Å²	23	55.5 Å²	55.5	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	157.2	170.7	71.6	0	0	0	0	111.4	S247 E248 Y249	S245-S247 PolarHBondContact O-N 3.43Å; S245-S247 VanDerWaalsContact O-N 3.14Å; S245-S247 PolarHBondContact OG-OG 3.32Å; S245-S247 VanDerWaalsContact OG-OG 3.06Å; S245-E248 WeakPolarHBondContact CB-OE2 3.46Å; S245-E248 PolarHBondContact N-OE2 2.93Å; S245-E248 PolarHBondContact O-N 3.48Å; S245-E248 VanDerWaalsContact O-N 3.15Å; S245-E248 VanDerWaalsContact OG-CG 3.26Å; S245-E248 WeakPolarHBondContact OG-CG 3.25Å; S245-E248 PolarHBondContact OG-N 3.43Å; S245-E248 PolarHBondContact OG-OE2 3.32Å; S245-Y249 PolarHBondContact O-N 2.93Å; S245-Y249 VanDerWaalsContact O-N 3.07Å
246	L	98	Very high	97.2	Very high	48 Å²	48	54 Å²	54	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-53	-37.6	173.1	176.5	63	0	0	0	112	K184 F187 E248 Y249 E250	K184-L246 HydrophobicContact CB-CD1 4.35Å; K184-L246 HydrophobicContact CD-CD2 4.38Å; K184-L246 HydrophobicContact CG-CD1 4.39Å; K184-L246 HydrophobicContact CG-CD2 4.14Å; F187-L246 HydrophobicContact CB-CD1 3.75Å; F187-L246 HydrophobicContact CD1-CB 4.38Å; F187-L246 HydrophobicContact CD1-CD1 4.07Å; F187-L246 HydrophobicContact CD2-CB 4.42Å; F187-L246 HydrophobicContact CD2-CD1 4.02Å; F187-L246 HydrophobicContact CE1-CB 4.24Å; F187-L246 HydrophobicContact CE2-CB 4.24Å; F187-L246 HydrophobicContact CG-CB 4.48Å; F187-L246 HydrophobicContact CG-CD1 3.67Å; F187-L246 HydrophobicContact CZ-CB 4.16Å; L246-E248 PolarHBondContact O-N 2.9Å; L246-Y249 PolarHBondContact O-N 3.48Å; L246-E250 HydrophobicContact CD1-CG 3.83Å; L246-E250 HydrophobicContact CG-CG 4.31Å; L246-E250 WeakPolarHBondContact O-CB 3.31Å; L246-E250 VanDerWaalsContact O-CG 3.31Å; L246-E250 WeakPolarHBondContact O-CG 3.19Å; L246-E250 PolarHBondContact O-N 3.24Å
247	S	98.1	Very high	97.1	Very high	67 Å²	67	56.5 Å²	56.5	47%	0.469	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-36.1	-177.1	80.5	0	0	0	0	113.1	S245 R251	S245-S247 PolarHBondContact O-N 3.43Å; S245-S247 VanDerWaalsContact O-N 3.14Å; S245-S247 PolarHBondContact OG-OG 3.32Å; S245-S247 VanDerWaalsContact OG-OG 3.06Å; S247-R251 WeakPolarHBondContact O-CB 3.31Å; S247-R251 PolarHBondContact O-N 3.42Å; S247-R251 VanDerWaalsContact O-N 3.08Å
248	E	98.3	Very high	97	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.028	32%	0.323	C	S	.	.	H	α-helix	trans	-74.6	-45.2	178.3	-66	171	108.9	0	0	110.6	F236 S238 D239 V244 S245 L246 E250 R251 K252	F236-E248 WeakPolarHBondContact O-CB 3.44Å; S238-E248 WeakPolarHBondContact CB-OE1 3.38Å; S238-E248 PolarHBondContact N-OE1 3.17Å; S238-E248 WeakPolarHBondContact OG-CG 3.35Å; S238-E248 PolarHBondContact OG-OE1 2.85Å; D239-E248 PolarHBondContact N-OE1 3.07Å; V244-E248 HydrophobicContact CG1-CB 4.33Å; S245-E248 WeakPolarHBondContact CB-OE2 3.46Å; S245-E248 PolarHBondContact N-OE2 2.93Å; S245-E248 PolarHBondContact O-N 3.48Å; S245-E248 VanDerWaalsContact O-N 3.15Å; S245-E248 VanDerWaalsContact OG-CG 3.26Å; S245-E248 WeakPolarHBondContact OG-CG 3.25Å; S245-E248 PolarHBondContact OG-N 3.43Å; S245-E248 PolarHBondContact OG-OE2 3.32Å; L246-E248 PolarHBondContact O-N 2.9Å; E248-E250 PolarHBondContact O-N 3.43Å; E248-R251 PolarHBondContact O-N 2.87Å; E248-K252 WeakPolarHBondContact O-CB 3.31Å; E248-K252 PolarHBondContact O-N 3.23Å
249	Y	98.4	Very high	96.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-54.2	-51.7	174.4	-176.4	-105.5	0	0	0	111.8	S183 Q186 F187 M190 L198 F232 F236 S245 L246 K252 I253 P275	S183-Y249 WeakPolarHBondContact O-CE1 3.44Å; Q186-Y249 WeakPolarHBondContact CG-OH 3.43Å; F187-Y249 HydrophobicContact CB-CD1 3.91Å; F187-Y249 HydrophobicContact CB-CE1 3.99Å; F187-Y249 AromaticContact CD2-CD1 3.78Å; F187-Y249 HydrophobicContact CD2-CD1 3.78Å; F187-Y249 HydrophobicContact CD2-CD2 4.44Å; F187-Y249 HydrophobicContact CD2-CE1 4.48Å; F187-Y249 AromaticContact CD2-CG 3.73Å; F187-Y249 HydrophobicContact CD2-CG 3.73Å; F187-Y249 HydrophobicContact CE2-CG 4.48Å; F187-Y249 HydrophobicContact CG-CD1 4.34Å; M190-Y249 HydrophobicContact CE-CE2 3.84Å; M190-Y249 WeakPolarHBondContact CE-OH 3.37Å; L198-Y249 HydrophobicContact CD1-CD2 4.34Å; F232-Y249 AromaticContact CZ-CE2 3.97Å; F232-Y249 HydrophobicContact CZ-CE2 3.97Å; F236-Y249 AromaticContact CD1-CD2 3.63Å; F236-Y249 HydrophobicContact CD1-CD2 3.63Å; F236-Y249 HydrophobicContact CD1-CE2 4.22Å; F236-Y249 HydrophobicContact CD1-CG 4.46Å; F236-Y249 HydrophobicContact CD2-CD2 4.43Å; F236-Y249 AromaticContact CE1-CD2 3.69Å; F236-Y249 HydrophobicContact CE1-CD2 3.69Å; F236-Y249 AromaticContact CE1-CE2 3.85Å; F236-Y249 HydrophobicContact CE1-CE2 3.85Å; F236-Y249 HydrophobicContact CE2-CD2 4.48Å; F236-Y249 HydrophobicContact CE2-CE2 4.27Å; F236-Y249 HydrophobicContact CG-CD2 4.04Å; F236-Y249 HydrophobicContact CZ-CD2 4.13Å; F236-Y249 AromaticContact CZ-CE2 3.87Å; F236-Y249 HydrophobicContact CZ-CE2 3.87Å; S245-Y249 PolarHBondContact O-N 2.93Å; S245-Y249 VanDerWaalsContact O-N 3.07Å; L246-Y249 PolarHBondContact O-N 3.48Å; Y249-K252 PolarHBondContact O-N 2.91Å; Y249-I253 HydrophobicContact CD1-CD1 3.95Å; Y249-I253 HydrophobicContact CD2-CD1 4.44Å; Y249-I253 HydrophobicContact CE1-CD1 3.3Å; Y249-I253 HydrophobicContact CE1-CG1 4.37Å; Y249-I253 HydrophobicContact CE2-CD1 3.85Å; Y249-I253 HydrophobicContact CE2-CG1 4.42Å; Y249-I253 HydrophobicContact CG-CD1 4.48Å; Y249-I253 WeakPolarHBondContact O-CB 3.46Å; Y249-I253 WeakPolarHBondContact O-CG1 3.49Å; Y249-I253 PolarHBondContact O-N 2.99Å; Y249-I253 WeakPolarHBondContact OH-CD1 3.46Å; Y249-P275 PolarHBondContact OH-O 3.27Å
250	E	98	Very high	96.7	Very high	70 Å²	70	58.9 Å²	58.9	33%	0.327	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-40.7	179.6	-69.3	-162.7	130.2	0	0	112.5	S183 K184 L246 E248 K252 I253 A254	S183-E250 PolarHBondContact OG-OE1 2.79Å; K184-E250 PolarHBondContact N-OE1 3.34Å; L246-E250 HydrophobicContact CD1-CG 3.83Å; L246-E250 HydrophobicContact CG-CG 4.31Å; L246-E250 WeakPolarHBondContact O-CB 3.31Å; L246-E250 VanDerWaalsContact O-CG 3.31Å; L246-E250 WeakPolarHBondContact O-CG 3.19Å; L246-E250 PolarHBondContact O-N 3.24Å; E248-E250 PolarHBondContact O-N 3.43Å; E250-K252 PolarHBondContact O-N 2.81Å; E250-I253 PolarHBondContact O-N 3.2Å; E250-A254 VanDerWaalsContact O-CB 3.28Å; E250-A254 WeakPolarHBondContact O-CB 3.09Å; E250-A254 PolarHBondContact O-N 3.11Å
251	R	97.9	Very high	96.4	Very high	154 Å²	154	59.3 Å²	59.3	58%	0.581	29%	0.293	S	S	*	.	H	α-helix	trans	-61.7	-45.2	177.7	-172.9	-172.4	-47.6	-177.9	9	111.3	S247 E248 A254 A255	S247-R251 WeakPolarHBondContact O-CB 3.31Å; S247-R251 PolarHBondContact O-N 3.42Å; S247-R251 VanDerWaalsContact O-N 3.08Å; E248-R251 PolarHBondContact O-N 2.87Å; R251-A254 PolarHBondContact O-N 2.99Å; R251-A255 WeakPolarHBondContact O-CB 3.41Å; R251-A255 PolarHBondContact O-N 3.35Å
252	K	97.5	Very high	96.1	Very high	64 Å²	64	63.5 Å²	63.5	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-69.3	-43.5	-180	-177.1	57.8	174.4	142	0	111.7	Y235 F236 E248 Y249 E250 A254 A255 D256	Y235-K252 HydrophobicContact CD1-CG 4.15Å; Y235-K252 HydrophobicContact CE1-CD 4.21Å; Y235-K252 HydrophobicContact CE1-CG 3.86Å; Y235-K252 WeakPolarHBondContact O-CE 3.31Å; Y235-K252 PolarHBondContact OH-NZ 3.24Å; F236-K252 HydrophobicContact CD1-CB 3.63Å; F236-K252 HydrophobicContact CD1-CG 3.55Å; F236-K252 HydrophobicContact CE1-CB 3.97Å; F236-K252 HydrophobicContact CE1-CG 3.73Å; F236-K252 HydrophobicContact CG-CG 4.42Å; E248-K252 WeakPolarHBondContact O-CB 3.31Å; E248-K252 PolarHBondContact O-N 3.23Å; Y249-K252 PolarHBondContact O-N 2.91Å; E250-K252 PolarHBondContact O-N 2.81Å; K252-A254 VanDerWaalsContact C-N 3.34Å; K252-A254 PolarHBondContact O-N 3.46Å; K252-A255 PolarHBondContact O-N 3.36Å; K252-D256 IonicContact NZ-OD1 3.63Å; K252-D256 PolarHBondContact NZ-OD1 2.97Å; K252-D256 IonicContact NZ-OD2 2.77Å; K252-D256 WeakPolarHBondContact O-CB 3.22Å; K252-D256 VanDerWaalsContact O-CG 3.29Å; K252-D256 PolarHBondContact O-N 3.1Å
253	I	96.9	Very high	95.8	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-46.4	172.2	-76.5	-171.4	0	0	0	111.4	W181 F236 Y249 E250 A255 D256 I257 W279	W181-I253 HydrophobicContact CH2-CG2 4.38Å; F236-I253 HydrophobicContact CE1-CG1 3.94Å; F236-I253 HydrophobicContact CZ-CG1 4.47Å; Y249-I253 HydrophobicContact CD1-CD1 3.95Å; Y249-I253 HydrophobicContact CD2-CD1 4.44Å; Y249-I253 HydrophobicContact CE1-CD1 3.3Å; Y249-I253 HydrophobicContact CE1-CG1 4.37Å; Y249-I253 HydrophobicContact CE2-CD1 3.85Å; Y249-I253 HydrophobicContact CE2-CG1 4.42Å; Y249-I253 HydrophobicContact CG-CD1 4.48Å; Y249-I253 WeakPolarHBondContact O-CB 3.46Å; Y249-I253 WeakPolarHBondContact O-CG1 3.49Å; Y249-I253 PolarHBondContact O-N 2.99Å; Y249-I253 WeakPolarHBondContact OH-CD1 3.46Å; E250-I253 PolarHBondContact O-N 3.2Å; I253-A255 VanDerWaalsContact C-N 3.29Å; I253-A255 PolarHBondContact O-N 3.46Å; I253-D256 PolarHBondContact O-N 3.21Å; I253-I257 HydrophobicContact CG2-CD1 3.59Å; I253-I257 HydrophobicContact CG2-CG1 4.26Å; I253-I257 WeakPolarHBondContact O-CB 3.46Å; I253-I257 VanDerWaalsContact O-CG1 3.28Å; I253-I257 WeakPolarHBondContact O-CG1 3.48Å; I253-I257 PolarHBondContact O-N 2.91Å; I253-W279 HydrophobicContact CB-CZ2 4.46Å; I253-W279 HydrophobicContact CG1-CZ2 4.21Å; I253-W279 HydrophobicContact CG2-CH2 4.19Å; I253-W279 HydrophobicContact CG2-CZ2 4.24Å
254	A	96.9	Very high	95	Very high	43 Å²	43	68.3 Å²	68.3	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-32.6	-179.9	0	0	0	0	0	112.5	E250 R251 K252 R258	E250-A254 VanDerWaalsContact O-CB 3.28Å; E250-A254 WeakPolarHBondContact O-CB 3.09Å; E250-A254 PolarHBondContact O-N 3.11Å; R251-A254 PolarHBondContact O-N 2.99Å; K252-A254 VanDerWaalsContact C-N 3.34Å; K252-A254 PolarHBondContact O-N 3.46Å; A254-R258 WeakPolarHBondContact O-CG 3.43Å; A254-R258 PolarHBondContact O-N 2.79Å; A254-R258 PolarHBondContact O-NE 2.84Å
255	A	96.8	Very high	94.1	Very high	40 Å²	40	73.5 Å²	73.5	33%	0.331	34%	0.342	S	S	.	.	H	α-helix	trans	-67.9	-47.3	172.1	0	0	0	0	0	111.5	R251 K252 I253 I257 R258 L259	R251-A255 WeakPolarHBondContact O-CB 3.41Å; R251-A255 PolarHBondContact O-N 3.35Å; K252-A255 PolarHBondContact O-N 3.36Å; I253-A255 VanDerWaalsContact C-N 3.29Å; I253-A255 PolarHBondContact O-N 3.46Å; A255-I257 VanDerWaalsContact C-N 3.34Å; A255-I257 PolarHBondContact O-N 2.92Å; A255-R258 PolarHBondContact O-N 3.12Å; A255-L259 PolarHBondContact O-N 3.42Å
256	D	96.6	Very high	93	Very high	6 Å²	6	78.8 Å²	78.8	3%	0.032	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-38.8	179.3	-70.3	-2.7	0	0	0	112	Y235 K252 I253 R258 L259 M260 R273 W279	Y235-D256 VanDerWaalsContact CE1-OD2 3.28Å; Y235-D256 WeakPolarHBondContact CE1-OD2 3.49Å; Y235-D256 PolarHBondContact OH-OD1 2.9Å; Y235-D256 VanDerWaalsContact OH-OD1 3.1Å; Y235-D256 PolarHBondContact OH-OD2 2.93Å; K252-D256 IonicContact NZ-OD1 3.63Å; K252-D256 PolarHBondContact NZ-OD1 2.97Å; K252-D256 IonicContact NZ-OD2 2.77Å; K252-D256 WeakPolarHBondContact O-CB 3.22Å; K252-D256 VanDerWaalsContact O-CG 3.29Å; K252-D256 PolarHBondContact O-N 3.1Å; I253-D256 PolarHBondContact O-N 3.21Å; D256-R258 VanDerWaalsContact C-N 3.33Å; D256-R258 PolarHBondContact O-N 2.81Å; D256-L259 WeakPolarHBondContact O-CB 3.14Å; D256-L259 PolarHBondContact O-N 3.25Å; D256-M260 VanDerWaalsContact O-CG 3.29Å; D256-M260 WeakPolarHBondContact O-CG 3.34Å; D256-M260 PolarHBondContact O-N 2.78Å; D256-R273 IonicContact OD2-NH1 2.85Å; D256-W279 HydrophobicContact CB-CZ2 3.82Å; D256-W279 PolarHBondContact OD2-NE1 3.36Å
257	I	94.6	Very high	92	Very high	56 Å²	56	87.1 Å²	87.1	29%	0.287	41%	0.407	S	S	.	.	H	α-helix	trans	-60.6	-42.4	175.6	-70.5	169.2	0	0	0	111.9	I253 A255 M260 E261 W279	I253-I257 HydrophobicContact CG2-CD1 3.59Å; I253-I257 HydrophobicContact CG2-CG1 4.26Å; I253-I257 WeakPolarHBondContact O-CB 3.46Å; I253-I257 VanDerWaalsContact O-CG1 3.28Å; I253-I257 WeakPolarHBondContact O-CG1 3.48Å; I253-I257 PolarHBondContact O-N 2.91Å; A255-I257 VanDerWaalsContact C-N 3.34Å; A255-I257 PolarHBondContact O-N 2.92Å; I257-M260 VanDerWaalsContact CA-CE 3.42Å; I257-M260 HydrophobicContact CB-CE 4.06Å; I257-M260 HydrophobicContact CG1-CE 3.52Å; I257-M260 PolarHBondContact O-N 2.83Å; I257-E261 WeakPolarHBondContact O-CG 3.26Å; I257-E261 PolarHBondContact O-N 2.81Å; I257-E261 VanDerWaalsContact O-N 3.15Å; I257-W279 HydrophobicContact CD1-CH2 4.4Å; I257-W279 HydrophobicContact CG1-CH2 3.99Å; I257-W279 HydrophobicContact CG1-CZ2 4.35Å
258	R	95.2	Very high	91.1	Very high	150 Å²	150	87.1 Å²	87.1	57%	0.566	41%	0.405	S	S	*	.	H	α-helix	trans	-63.1	-43.9	175.3	-73.6	179.3	-81.5	-174.8	-1.1	111.2	A254 A255 D256 M260 E261 E262	A254-R258 WeakPolarHBondContact O-CG 3.43Å; A254-R258 PolarHBondContact O-N 2.79Å; A254-R258 PolarHBondContact O-NE 2.84Å; A255-R258 PolarHBondContact O-N 3.12Å; D256-R258 VanDerWaalsContact C-N 3.33Å; D256-R258 PolarHBondContact O-N 2.81Å; R258-M260 VanDerWaalsContact C-N 3.32Å; R258-M260 PolarHBondContact O-N 2.82Å; R258-E261 PolarHBondContact O-N 2.78Å; R258-E262 WeakPolarHBondContact O-CG 3.21Å; R258-E262 PolarHBondContact O-N 3.3Å; R258-E262 VanDerWaalsContact O-N 3.14Å
259	L	93	Very high	90.4	Very high	53 Å²	53	91 Å²	91	28%	0.277	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-39.8	176.9	-172.3	64.9	0	0	0	112.4	A255 D256 E261 E262 R263	A255-L259 PolarHBondContact O-N 3.42Å; D256-L259 WeakPolarHBondContact O-CB 3.14Å; D256-L259 PolarHBondContact O-N 3.25Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 2.95Å; L259-E262 PolarHBondContact O-N 2.99Å; L259-R263 HydrophobicContact CD1-CG 4.17Å; L259-R263 HydrophobicContact CG-CG 4.35Å; L259-R263 WeakPolarHBondContact O-CB 3.27Å; L259-R263 WeakPolarHBondContact O-CG 3.36Å; L259-R263 PolarHBondContact O-N 3.21Å
260	M	92.1	Very high	90	Very high	28 Å²	28	93.2 Å²	93.2	14%	0.138	46%	0.455	C	S	.	.	H	α-helix	trans	-62.8	-37.2	176.3	-72.3	-175.6	-73.1	0	0	112.5	D256 I257 R258 R264 W279 G285 G287	D256-M260 VanDerWaalsContact O-CG 3.29Å; D256-M260 WeakPolarHBondContact O-CG 3.34Å; D256-M260 PolarHBondContact O-N 2.78Å; I257-M260 VanDerWaalsContact CA-CE 3.42Å; I257-M260 HydrophobicContact CB-CE 4.06Å; I257-M260 HydrophobicContact CG1-CE 3.52Å; I257-M260 PolarHBondContact O-N 2.83Å; R258-M260 VanDerWaalsContact C-N 3.32Å; R258-M260 PolarHBondContact O-N 2.82Å; M260-R264 PolarHBondContact O-N 3.48Å; M260-W279 HydrophobicContact CE-CH2 3.62Å; M260-W279 HydrophobicContact CE-CZ2 3.78Å; M260-G285 VanDerWaalsContact CA-O 3.27Å; M260-G285 WeakPolarHBondContact CA-O 3.43Å; M260-G285 WeakPolarHBondContact CG-O 3.32Å; M260-G287 WeakPolarHBondContact SD-CA 2.99Å
261	E	90.2	Very high	89.7	Confident	141 Å²	141	94.8 Å²	94.8	66%	0.659	46%	0.458	S	S	*	.	H	α-helix	trans	-67.3	-38.8	175.8	-70.7	176.6	170.5	0	0	111.6	I257 R258 L259	I257-E261 WeakPolarHBondContact O-CG 3.26Å; I257-E261 PolarHBondContact O-N 2.81Å; I257-E261 VanDerWaalsContact O-N 3.15Å; R258-E261 PolarHBondContact O-N 2.78Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 2.95Å
262	E	90.2	Very high	89.5	Confident	153 Å²	153	92 Å²	92	72%	0.715	45%	0.451	S	S	*	.	H	α-helix	trans	-70.4	-39.4	177.2	-67.9	170.5	-175.9	0	0	112.9	R258 L259 R264	R258-E262 WeakPolarHBondContact O-CG 3.21Å; R258-E262 PolarHBondContact O-N 3.3Å; R258-E262 VanDerWaalsContact O-N 3.14Å; L259-E262 PolarHBondContact O-N 2.99Å; E262-R264 VanDerWaalsContact C-N 3.33Å
263	R	88.5	Confident	89.3	Confident	128 Å²	128	89.2 Å²	89.2	48%	0.483	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.4	-177	-67.3	-172.1	175.9	-168.6	-0.9	114.1	L259 K265 N284 D286	L259-R263 HydrophobicContact CD1-CG 4.17Å; L259-R263 HydrophobicContact CG-CG 4.35Å; L259-R263 WeakPolarHBondContact O-CB 3.27Å; L259-R263 WeakPolarHBondContact O-CG 3.36Å; L259-R263 PolarHBondContact O-N 3.21Å; R263-K265 PolarHBondContact O-N 3.14Å; R263-N284 WeakPolarHBondContact CD-O 3.49Å; R263-N284 PolarHBondContact NH1-O 3.36Å; R263-D286 HydrophobicContact CB-CB 4.35Å
264	R	81.5	Confident	89.2	Confident	201 Å²	201	89.1 Å²	89.1	76%	0.758	44%	0.439	S	S	*	.			trans	-59.2	110.4	-173.6	-168.2	179.1	-137.7	175.2	7.8	111.9	M260 E262	M260-R264 PolarHBondContact O-N 3.48Å; E262-R264 VanDerWaalsContact C-N 3.33Å
265	K	79.7	Confident	89.2	Confident	109 Å²	109	87.1 Å²	87.1	47%	0.474	42%	0.422	S	S	.	.			trans	-78.2	147.7	175.6	-64.7	172.9	-172.6	152.3	0	111.2	R263 R267 D286	R263-K265 PolarHBondContact O-N 3.14Å; K265-R267 WeakPolarHBondContact CB-O 3.44Å; K265-D286 WeakPolarHBondContact CE-OD2 3.28Å; K265-D286 IonicContact NZ-OD2 3.76Å; K265-D286 PolarHBondContact NZ-OD2 2.89Å
266	S	75	Confident	89.1	Confident	134 Å²	134	85.3 Å²	85.3	94%	0.937	41%	0.407	S	S	*	.	S	Bend	trans	-70.4	-40.1	173.3	57.1	0	0	0	0	112
267	R	77.1	Confident	89.1	Confident	222 Å²	222	85 Å²	85	84%	0.838	41%	0.406	S	S	*	.	S	Bend	trans	-100.2	117.8	171.5	-172.3	175.9	179.8	177.4	-1	109	K265	K265-R267 WeakPolarHBondContact CB-O 3.44Å
268	V	78.8	Confident	89.1	Confident	68 Å²	68	82.4 Å²	82.4	41%	0.412	39%	0.392	S	S	.	.			trans	-101	133.5	179.8	171.4	0	0	0	0	108.9	F288	V268-F288 HydrophobicContact CB-CE1 4.34Å; V268-F288 HydrophobicContact CB-CE2 4.32Å; V268-F288 HydrophobicContact CB-CZ 4.22Å; V268-F288 HydrophobicContact CG1-CB 4.29Å; V268-F288 HydrophobicContact CG1-CD1 3.15Å; V268-F288 HydrophobicContact CG1-CD2 3.63Å; V268-F288 HydrophobicContact CG1-CE1 3.14Å; V268-F288 HydrophobicContact CG1-CE2 3.64Å; V268-F288 HydrophobicContact CG1-CG 3.41Å; V268-F288 VanDerWaalsContact CG1-CG 3.41Å; V268-F288 HydrophobicContact CG1-CZ 3.4Å; V268-F288 VanDerWaalsContact CG1-CZ 3.4Å; V268-F288 HydrophobicContact CG2-CD2 4.18Å; V268-F288 HydrophobicContact CG2-CE1 4.42Å; V268-F288 HydrophobicContact CG2-CE2 3.67Å; V268-F288 HydrophobicContact CG2-CZ 3.81Å
269	S	83.7	Confident	89.2	Confident	87 Å²	87	75.3 Å²	75.3	61%	0.608	37%	0.366	S	S	*	.			trans	-117.6	152.8	166.1	-170.6	0	0	0	0	108.7	F288	S269-F288 WeakPolarHBondContact O-CB 3.42Å
270	G	90	Very high	89.3	Confident	46 Å²	46	72.9 Å²	72.9	47%	0.474	35%	0.353	S	S	.	.	S	Bend	trans	85.6	-172.9	175.6	0	0	0	0	0	115.4	V289	G270-V289 CarbonylContact C-O 3.52Å; G270-V289 VanDerWaalsContact CA-O 3.26Å; G270-V289 WeakPolarHBondContact CA-O 3.47Å
271	R	91.9	Very high	89.4	Confident	104 Å²	104	71.8 Å²	71.8	39%	0.392	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	141.2	-178.2	-167.9	170.5	74.5	111.7	-6.4	109.4	K121 V122 R273 D274 F288 V289	K121-R271 PolarHBondContact O-NH1 3.23Å; V122-R271 PolarHBondContact O-NH1 2.7Å; R271-R273 PolarHBondContact O-N 2.98Å; R271-D274 IonicContact CZ-OD1 2.66Å; R271-D274 IonicContact CZ-OD2 2.89Å; R271-D274 IonicContact NH1-OD1 3.3Å; R271-D274 PolarHBondContact NH1-OD1 2.79Å; R271-D274 IonicContact NH1-OD2 3.14Å; R271-D274 IonicContact NH2-OD1 2.75Å; R271-D274 PolarHBondContact NH2-OD1 3.33Å; R271-D274 IonicContact NH2-OD2 3.58Å; R271-D274 PolarHBondContact NH2-OD2 2.95Å; R271-F288 CarbonylContact O-C 3.56Å; R271-F288 WeakPolarHBondContact O-CA 3.29Å; R271-V289 PolarHBondContact N-O 3.49Å; R271-V289 PolarHBondContact O-N 2.73Å
272	Q	93.2	Very high	89.6	Confident	94 Å²	94	65.3 Å²	65.3	44%	0.439	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	141.4	171.8	-74.6	-176.8	30.6	0	0	111.4	R88 D274 G287 F288	R88-Q272 VanDerWaalsContact CZ-CB 3.43Å; R88-Q272 PolarHBondContact NH2-O 2.83Å; Q272-D274 PolarHBondContact O-N 2.61Å; Q272-G287 WeakPolarHBondContact CA-O 3.15Å; Q272-F288 HydrophobicContact CB-CD1 4.32Å; Q272-F288 HydrophobicContact CB-CE1 4.22Å; Q272-F288 HydrophobicContact CG-CD1 3.72Å; Q272-F288 HydrophobicContact CG-CE1 3.17Å; Q272-F288 HydrophobicContact CG-CZ 3.82Å
273	R	94.2	Very high	89.8	Confident	6 Å²	6	60.5 Å²	60.5	2%	0.023	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-49.4	133.7	178.3	-171.6	-172.2	-69	-143.2	-8.6	111.6	R88 D256 R271 W279 D282 G287	R88-R273 PolarHBondContact NH2-O 2.91Å; D256-R273 IonicContact OD2-NH1 2.85Å; R271-R273 PolarHBondContact O-N 2.98Å; R273-W279 WeakPolarHBondContact CD-O 3.45Å; R273-W279 HydrophobicContact CG-CD2 4.23Å; R273-W279 HydrophobicContact CG-CE3 4.03Å; R273-D282 HydrophobicContact CB-CB 4.48Å; R273-D282 HydrophobicContact CG-CB 4.16Å; R273-D282 IonicContact CZ-OD2 3.97Å; R273-D282 IonicContact NE-OD2 3.01Å; R273-D282 PolarHBondContact NE-OD2 2.92Å; R273-D282 VanDerWaalsContact NH2-CB 3.32Å; R273-D282 PolarHBondContact NH2-O 2.78Å; R273-D282 IonicContact NH2-OD1 3.74Å; R273-D282 PolarHBondContact NH2-OD1 3.06Å; R273-D282 IonicContact NH2-OD2 2.79Å; R273-D282 PolarHBondContact NH2-OD2 3.44Å; R273-G287 PolarHBondContact N-O 2.79Å
274	D	94.6	Very high	89.9	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-77.7	140.7	175.5	-92.9	1.9	0	0	0	110.9	R88 V122 K216 R271 Q272 W279	R88-D274 IonicContact NH2-OD1 2.72Å; V122-D274 HydrophobicContact CG1-CB 4.48Å; K216-D274 IonicContact NZ-OD2 3.69Å; K216-D274 PolarHBondContact NZ-OD2 2.87Å; R271-D274 IonicContact CZ-OD1 2.66Å; R271-D274 IonicContact CZ-OD2 2.89Å; R271-D274 IonicContact NH1-OD1 3.3Å; R271-D274 PolarHBondContact NH1-OD1 2.79Å; R271-D274 IonicContact NH1-OD2 3.14Å; R271-D274 IonicContact NH2-OD1 2.75Å; R271-D274 PolarHBondContact NH2-OD1 3.33Å; R271-D274 IonicContact NH2-OD2 3.58Å; R271-D274 PolarHBondContact NH2-OD2 2.95Å; Q272-D274 PolarHBondContact O-N 2.61Å; D274-W279 VanDerWaalsContact O-CA 3.26Å; D274-W279 WeakPolarHBondContact O-CA 3.48Å; D274-W279 PolarHBondContact O-N 3.14Å
275	P	95.5	Very high	90.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-76.7	-16.5	179.4	32.1	-36.8	0	0	0	114.9	K89 Q119 V122 W181 Q186 Y249	K89-P275 HydrophobicContact CB-CB 4.48Å; K89-P275 HydrophobicContact CB-CG 4.1Å; K89-P275 HydrophobicContact CD-CB 4.04Å; K89-P275 HydrophobicContact CD-CG 4.29Å; K89-P275 HydrophobicContact CG-CB 4.16Å; K89-P275 HydrophobicContact CG-CG 3.85Å; Q119-P275 HydrophobicContact CG-CG 4.42Å; V122-P275 HydrophobicContact CG2-CG 3.84Å; W181-P275 HydrophobicContact CZ2-CB 4.12Å; Q186-P275 VanDerWaalsContact CG-O 3.24Å; Q186-P275 WeakPolarHBondContact CG-O 3.49Å; Y249-P275 PolarHBondContact OH-O 3.27Å
276	S	95.1	Very high	90.9	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.021	23%	0.23	C	C	.	.	S	Bend	trans	-86.5	-151.4	179.9	-176.4	0	0	0	0	110.6	E210 G278 W279	E210-S276 PolarHBondContact OE1-OG 3.39Å; S276-G278 PolarHBondContact O-N 2.92Å; S276-W279 VanDerWaalsContact O-CB 3.31Å; S276-W279 WeakPolarHBondContact O-CB 3.41Å; S276-W279 PolarHBondContact O-N 2.89Å
277	V	96.5	Very high	91.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-51.5	-32.7	178.1	-167.4	0	0	0	0	112.7	M190 I203 T206 L207 M228 F232 W279 I280	M190-V277 HydrophobicContact SD-CG2 4.39Å; I203-V277 HydrophobicContact CG2-CB 4.45Å; I203-V277 HydrophobicContact CG2-CG1 3.63Å; I203-V277 HydrophobicContact CG2-CG2 3.89Å; T206-V277 HydrophobicContact CG2-CG2 3.79Å; L207-V277 HydrophobicContact CD1-CG1 4.31Å; L207-V277 HydrophobicContact CD2-CB 4.04Å; L207-V277 HydrophobicContact CD2-CG1 3.96Å; L207-V277 HydrophobicContact CD2-CG2 4.21Å; L207-V277 HydrophobicContact CG-CG1 4.21Å; L207-V277 HydrophobicContact CG-CG2 4.29Å; M228-V277 HydrophobicContact CE-CG1 4.01Å; M228-V277 HydrophobicContact CG-CG1 4.28Å; M228-V277 HydrophobicContact SD-CG1 4.32Å; F232-V277 HydrophobicContact CB-CG1 4.42Å; F232-V277 HydrophobicContact CD2-CB 4.37Å; F232-V277 HydrophobicContact CD2-CG1 3.89Å; F232-V277 HydrophobicContact CG-CG1 4.38Å; V277-W279 PolarHBondContact O-N 3.02Å; V277-I280 WeakPolarHBondContact O-CG1 3.3Å
278	G	95.5	Very high	92.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-65.2	-0.7	176.2	0	0	0	0	0	115.7	S276 I280 L281	S276-G278 PolarHBondContact O-N 2.92Å; G278-I280 PolarHBondContact O-N 2.79Å; G278-L281 PolarHBondContact O-N 2.87Å
279	W	96.4	Very high	93.3	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58	-35.7	174.2	-173.5	-88.1	0	0	0	112.7	F236 I253 D256 I257 M260 R273 D274 S276 V277 L281	F236-W279 AromaticContact CZ-CD1 3.6Å; F236-W279 HydrophobicContact CZ-CG 4.15Å; I253-W279 HydrophobicContact CB-CZ2 4.46Å; I253-W279 HydrophobicContact CG1-CZ2 4.21Å; I253-W279 HydrophobicContact CG2-CH2 4.19Å; I253-W279 HydrophobicContact CG2-CZ2 4.24Å; D256-W279 HydrophobicContact CB-CZ2 3.82Å; D256-W279 PolarHBondContact OD2-NE1 3.36Å; I257-W279 HydrophobicContact CD1-CH2 4.4Å; I257-W279 HydrophobicContact CG1-CH2 3.99Å; I257-W279 HydrophobicContact CG1-CZ2 4.35Å; M260-W279 HydrophobicContact CE-CH2 3.62Å; M260-W279 HydrophobicContact CE-CZ2 3.78Å; R273-W279 WeakPolarHBondContact CD-O 3.45Å; R273-W279 HydrophobicContact CG-CD2 4.23Å; R273-W279 HydrophobicContact CG-CE3 4.03Å; D274-W279 VanDerWaalsContact O-CA 3.26Å; D274-W279 WeakPolarHBondContact O-CA 3.48Å; D274-W279 PolarHBondContact O-N 3.14Å; S276-W279 VanDerWaalsContact O-CB 3.31Å; S276-W279 WeakPolarHBondContact O-CB 3.41Å; S276-W279 PolarHBondContact O-N 2.89Å; V277-W279 PolarHBondContact O-N 3.02Å; W279-L281 PolarHBondContact O-N 2.91Å
280	I	95.6	Very high	93.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-75.8	-5.4	-176.4	69.2	-168.7	0	0	0	114.2	M228 Y231 F232 Y235 F236 V277 G278 F283 F301	M228-I280 HydrophobicContact CE-CD1 4.18Å; M228-I280 HydrophobicContact CE-CG1 4.34Å; M228-I280 HydrophobicContact CG-CD1 3.83Å; M228-I280 WeakPolarHBondContact O-CD1 3.44Å; Y231-I280 HydrophobicContact CD1-CB 3.96Å; Y231-I280 HydrophobicContact CD1-CD1 3.94Å; Y231-I280 HydrophobicContact CD1-CG1 4.23Å; Y231-I280 HydrophobicContact CD1-CG2 4.39Å; Y231-I280 HydrophobicContact CE1-CB 4Å; F232-I280 HydrophobicContact CB-CD1 3.94Å; F232-I280 HydrophobicContact CB-CG2 4.48Å; F232-I280 HydrophobicContact CD2-CD1 4.33Å; F232-I280 HydrophobicContact CD2-CG2 3.83Å; F232-I280 HydrophobicContact CG-CG2 4.45Å; Y235-I280 HydrophobicContact CD1-CG2 4.03Å; Y235-I280 HydrophobicContact CD2-CG2 4.39Å; Y235-I280 HydrophobicContact CG-CG2 3.92Å; F236-I280 HydrophobicContact CE2-CG2 4.09Å; V277-I280 WeakPolarHBondContact O-CG1 3.3Å; G278-I280 PolarHBondContact O-N 2.79Å; I280-F283 WeakPolarHBondContact O-CE1 3.35Å; I280-F301 HydrophobicContact CD1-CE1 4.21Å; I280-F301 HydrophobicContact CD1-CZ 4.03Å; I280-F301 HydrophobicContact CG1-CE1 4.22Å; I280-F301 HydrophobicContact CG1-CZ 4.03Å
281	L	95.4	Very high	93.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-84.9	-11.4	-176.4	-68.7	168.4	0	0	0	113.8	Y218 I223 M228 G278 W279 F283 V289 L294 A297 F301	Y218-L281 HydrophobicContact CD1-CD1 3.82Å; Y218-L281 HydrophobicContact CE1-CD1 3.44Å; Y218-L281 VanDerWaalsContact CE1-CD1 3.44Å; I223-L281 HydrophobicContact CD1-CD2 4.17Å; M228-L281 HydrophobicContact CE-CD1 3.85Å; M228-L281 HydrophobicContact CE-CD2 4.2Å; M228-L281 HydrophobicContact CE-CG 3.96Å; G278-L281 PolarHBondContact O-N 2.87Å; W279-L281 PolarHBondContact O-N 2.91Å; L281-F283 WeakPolarHBondContact O-CD2 3.48Å; L281-F283 PolarHBondContact O-N 3.14Å; L281-V289 HydrophobicContact CB-CG1 4Å; L281-V289 HydrophobicContact CB-CG2 4.03Å; L281-L294 HydrophobicContact CD1-CD2 4.02Å; L281-L294 HydrophobicContact CD2-CD2 4.41Å; L281-A297 HydrophobicContact CD2-CB 3.88Å; L281-F301 HydrophobicContact CD2-CE2 4.06Å; L281-F301 HydrophobicContact CD2-CZ 3.64Å
282	D	94.5	Very high	93.9	Very high	5 Å²	5	28 Å²	28	3%	0.027	14%	0.136	C	C	.	.			trans	-95.4	86.6	175.4	170.5	-5.5	0	0	0	107.5	R273 N284 G285 D286 G287 F288 V289	R273-D282 HydrophobicContact CB-CB 4.48Å; R273-D282 HydrophobicContact CG-CB 4.16Å; R273-D282 IonicContact CZ-OD2 3.97Å; R273-D282 IonicContact NE-OD2 3.01Å; R273-D282 PolarHBondContact NE-OD2 2.92Å; R273-D282 VanDerWaalsContact NH2-CB 3.32Å; R273-D282 PolarHBondContact NH2-O 2.78Å; R273-D282 IonicContact NH2-OD1 3.74Å; R273-D282 PolarHBondContact NH2-OD1 3.06Å; R273-D282 IonicContact NH2-OD2 2.79Å; R273-D282 PolarHBondContact NH2-OD2 3.44Å; D282-N284 PolarHBondContact OD1-OD1 2.93Å; D282-G285 VanDerWaalsContact OD1-CA 3.27Å; D282-G285 WeakPolarHBondContact OD1-CA 3.1Å; D282-G285 PolarHBondContact OD1-N 3.38Å; D282-D286 PolarHBondContact OD1-N 2.87Å; D282-G287 WeakPolarHBondContact OD2-CA 3.49Å; D282-G287 PolarHBondContact OD2-N 2.62Å; D282-F288 PolarHBondContact OD2-N 3.22Å; D282-V289 HydrophobicContact CB-CG2 3.72Å
283	F	92.7	Very high	93.9	Very high	53 Å²	53	24.2 Å²	24.2	23%	0.232	12%	0.118	C	C	.	.	S	Bend	trans	-75.7	-28.9	-172.8	-60.7	-62.9	0	0	0	111.7	Y231 I280 L281 E293 A297 I300 F301	Y231-F283 HydrophobicContact CE1-CE1 4.43Å; I280-F283 WeakPolarHBondContact O-CE1 3.35Å; L281-F283 WeakPolarHBondContact O-CD2 3.48Å; L281-F283 PolarHBondContact O-N 3.14Å; F283-E293 HydrophobicContact CD2-CB 3.98Å; F283-E293 HydrophobicContact CD2-CG 4.2Å; F283-E293 HydrophobicContact CE2-CB 4.42Å; F283-E293 WeakPolarHBondContact CE2-O 3.38Å; F283-E293 PolarHBondContact N-OE1 3.04Å; F283-A297 HydrophobicContact CE2-CB 3.91Å; F283-A297 HydrophobicContact CZ-CB 3.87Å; F283-I300 HydrophobicContact CD1-CD1 4.03Å; F283-I300 HydrophobicContact CD1-CG2 4.1Å; F283-I300 HydrophobicContact CD2-CD1 3.59Å; F283-I300 HydrophobicContact CE1-CB 4.26Å; F283-I300 HydrophobicContact CE1-CD1 4.04Å; F283-I300 HydrophobicContact CE1-CG2 3.63Å; F283-I300 HydrophobicContact CE2-CD1 3.61Å; F283-I300 HydrophobicContact CG-CD1 3.81Å; F283-I300 HydrophobicContact CZ-CB 4.2Å; F283-I300 HydrophobicContact CZ-CD1 3.84Å; F283-I300 HydrophobicContact CZ-CG2 4.08Å; F283-F301 AromaticContact CE1-CE1 3.85Å; F283-F301 HydrophobicContact CE1-CE1 3.85Å; F283-F301 HydrophobicContact CZ-CD1 4.5Å; F283-F301 AromaticContact CZ-CE1 3.76Å; F283-F301 HydrophobicContact CZ-CE1 3.76Å; F283-F301 HydrophobicContact CZ-CZ 4.09Å
284	N	90.5	Very high	93.8	Very high	43 Å²	43	25.3 Å²	25.3	23%	0.23	12%	0.124	C	C	.	.	S	Bend	trans	-85.4	-9.1	179.7	75.9	34.4	0	0	0	112.9	R263 D282 D286 E293	R263-N284 WeakPolarHBondContact CD-O 3.49Å; R263-N284 PolarHBondContact NH1-O 3.36Å; D282-N284 PolarHBondContact OD1-OD1 2.93Å; N284-D286 VanDerWaalsContact C-N 3.35Å; N284-D286 PolarHBondContact ND2-OD2 3.43Å; N284-D286 PolarHBondContact O-N 3.31Å; N284-D286 WeakPolarHBondContact OD1-CB 3.48Å; N284-D286 PolarHBondContact OD1-N 2.94Å; N284-D286 PolarHBondContact OD1-OD1 3.28Å; N284-D286 PolarHBondContact OD1-OD2 2.64Å; N284-E293 PolarHBondContact N-OE1 3.43Å; N284-E293 PolarHBondContact ND2-OE1 2.91Å
285	G	91.9	Very high	93.7	Very high	5 Å²	5	28.5 Å²	28.5	5%	0.052	14%	0.144	C	C	.	.			trans	74	18.1	174.3	0	0	0	0	0	114.9	M260 D282	M260-G285 VanDerWaalsContact CA-O 3.27Å; M260-G285 WeakPolarHBondContact CA-O 3.43Å; M260-G285 WeakPolarHBondContact CG-O 3.32Å; D282-G285 VanDerWaalsContact OD1-CA 3.27Å; D282-G285 WeakPolarHBondContact OD1-CA 3.1Å; D282-G285 PolarHBondContact OD1-N 3.38Å
286	D	91.8	Very high	93.6	Very high	16 Å²	16	29.9 Å²	29.9	9%	0.086	16%	0.155	C	C	.	.	S	Bend	trans	-90.8	-3.6	-174.7	77.3	13.9	0	0	0	114.5	R263 K265 D282 N284 F288	R263-D286 HydrophobicContact CB-CB 4.35Å; K265-D286 WeakPolarHBondContact CE-OD2 3.28Å; K265-D286 IonicContact NZ-OD2 3.76Å; K265-D286 PolarHBondContact NZ-OD2 2.89Å; D282-D286 PolarHBondContact OD1-N 2.87Å; N284-D286 VanDerWaalsContact C-N 3.35Å; N284-D286 PolarHBondContact ND2-OD2 3.43Å; N284-D286 PolarHBondContact O-N 3.31Å; N284-D286 WeakPolarHBondContact OD1-CB 3.48Å; N284-D286 PolarHBondContact OD1-N 2.94Å; N284-D286 PolarHBondContact OD1-OD1 3.28Å; N284-D286 PolarHBondContact OD1-OD2 2.64Å; D286-F288 PolarHBondContact OD1-N 2.83Å
287	G	93.2	Very high	93.5	Very high	11 Å²	11	29.7 Å²	29.7	11%	0.113	15%	0.154	C	C	.	.	S	Bend	trans	92.6	2.4	178	0	0	0	0	0	114.4	M260 Q272 R273 D282	M260-G287 WeakPolarHBondContact SD-CA 2.99Å; Q272-G287 WeakPolarHBondContact CA-O 3.15Å; R273-G287 PolarHBondContact N-O 2.79Å; D282-G287 WeakPolarHBondContact OD2-CA 3.49Å; D282-G287 PolarHBondContact OD2-N 2.62Å
288	F	94	Very high	93.3	Very high	40 Å²	40	35.3 Å²	35.3	18%	0.175	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.6	177.4	-61.7	-95.3	0	0	0	110.5	V268 S269 R271 Q272 D282 D286	V268-F288 HydrophobicContact CB-CE1 4.34Å; V268-F288 HydrophobicContact CB-CE2 4.32Å; V268-F288 HydrophobicContact CB-CZ 4.22Å; V268-F288 HydrophobicContact CG1-CB 4.29Å; V268-F288 HydrophobicContact CG1-CD1 3.15Å; V268-F288 HydrophobicContact CG1-CD2 3.63Å; V268-F288 HydrophobicContact CG1-CE1 3.14Å; V268-F288 HydrophobicContact CG1-CE2 3.64Å; V268-F288 HydrophobicContact CG1-CG 3.41Å; V268-F288 VanDerWaalsContact CG1-CG 3.41Å; V268-F288 HydrophobicContact CG1-CZ 3.4Å; V268-F288 VanDerWaalsContact CG1-CZ 3.4Å; V268-F288 HydrophobicContact CG2-CD2 4.18Å; V268-F288 HydrophobicContact CG2-CE1 4.42Å; V268-F288 HydrophobicContact CG2-CE2 3.67Å; V268-F288 HydrophobicContact CG2-CZ 3.81Å; S269-F288 WeakPolarHBondContact O-CB 3.42Å; R271-F288 CarbonylContact O-C 3.56Å; R271-F288 WeakPolarHBondContact O-CA 3.29Å; Q272-F288 HydrophobicContact CB-CD1 4.32Å; Q272-F288 HydrophobicContact CB-CE1 4.22Å; Q272-F288 HydrophobicContact CG-CD1 3.72Å; Q272-F288 HydrophobicContact CG-CE1 3.17Å; Q272-F288 HydrophobicContact CG-CZ 3.82Å; D282-F288 PolarHBondContact OD2-N 3.22Å; D286-F288 PolarHBondContact OD1-N 2.83Å
289	V	93.6	Very high	93.1	Very high	15 Å²	15	41 Å²	41	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.4	176	179.9	0	0	0	0	106.7	G270 R271 L281 D282 E293 L294	G270-V289 CarbonylContact C-O 3.52Å; G270-V289 VanDerWaalsContact CA-O 3.26Å; G270-V289 WeakPolarHBondContact CA-O 3.47Å; R271-V289 PolarHBondContact N-O 3.49Å; R271-V289 PolarHBondContact O-N 2.73Å; L281-V289 HydrophobicContact CB-CG1 4Å; L281-V289 HydrophobicContact CB-CG2 4.03Å; D282-V289 HydrophobicContact CB-CG2 3.72Å; V289-E293 VanDerWaalsContact CA-OE2 3.29Å; V289-E293 WeakPolarHBondContact CA-OE2 3.28Å; V289-E293 HydrophobicContact CG1-CB 4.43Å; V289-L294 HydrophobicContact CG1-CD1 4.26Å; V289-L294 HydrophobicContact CG1-CD2 3.77Å; V289-L294 HydrophobicContact CG1-CG 3.71Å
290	D	93.4	Very high	92.8	Very high	33 Å²	33	42 Å²	42	18%	0.176	21%	0.21	C	C	.	.			trans	-92	178.9	176.2	77	29.5	0	0	0	113.1	N292 E293 L294	D290-N292 VanDerWaalsContact C-N 3.33Å; D290-N292 WeakPolarHBondContact OD1-CA 3.43Å; D290-N292 WeakPolarHBondContact OD1-CB 3.37Å; D290-N292 PolarHBondContact OD1-N 2.85Å; D290-E293 PolarHBondContact N-OE2 3.4Å; D290-E293 PolarHBondContact OD1-N 3.39Å; D290-L294 WeakPolarHBondContact O-CG 3.43Å; D290-L294 PolarHBondContact O-N 3.06Å
291	Y	91.9	Very high	92.7	Very high	162 Å²	162	42.5 Å²	42.5	64%	0.635	21%	0.212	S	C	*	.	H	α-helix	trans	-67.9	-33.1	-178.9	179.9	-96.8	0	0	0	112.8	F221 L294 T295	F221-Y291 HydrophobicContact CE1-CD2 4.1Å; F221-Y291 AromaticContact CE1-CE2 3.93Å; F221-Y291 HydrophobicContact CE1-CE2 3.93Å; Y291-L294 PolarHBondContact O-N 3.29Å; Y291-T295 WeakPolarHBondContact O-CB 3.49Å; Y291-T295 PolarHBondContact O-N 3.38Å; Y291-T295 PolarHBondContact O-OG1 3.37Å
292	N	92.4	Very high	92.3	Very high	91 Å²	91	49.1 Å²	49.1	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-70.3	-41.9	-179.2	-64.3	-15.1	0	0	0	109.6	D290 L294 T295 A296 L314	D290-N292 VanDerWaalsContact C-N 3.33Å; D290-N292 WeakPolarHBondContact OD1-CA 3.43Å; D290-N292 WeakPolarHBondContact OD1-CB 3.37Å; D290-N292 PolarHBondContact OD1-N 2.85Å; N292-L294 PolarHBondContact O-N 3.19Å; N292-T295 PolarHBondContact O-N 3.2Å; N292-A296 WeakPolarHBondContact O-CB 3.5Å; N292-A296 PolarHBondContact O-N 3.23Å; N292-L314 HydrophobicContact CB-CD2 4.25Å
293	E	93.4	Very high	91.6	Very high	14 Å²	14	51 Å²	51	7%	0.065	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-44.5	174.1	-69.6	178	120	0	0	111.7	F283 N284 V289 D290 T295 A296 A297	F283-E293 HydrophobicContact CD2-CB 3.98Å; F283-E293 HydrophobicContact CD2-CG 4.2Å; F283-E293 HydrophobicContact CE2-CB 4.42Å; F283-E293 WeakPolarHBondContact CE2-O 3.38Å; F283-E293 PolarHBondContact N-OE1 3.04Å; N284-E293 PolarHBondContact N-OE1 3.43Å; N284-E293 PolarHBondContact ND2-OE1 2.91Å; V289-E293 VanDerWaalsContact CA-OE2 3.29Å; V289-E293 WeakPolarHBondContact CA-OE2 3.28Å; V289-E293 HydrophobicContact CG1-CB 4.43Å; D290-E293 PolarHBondContact N-OE2 3.4Å; D290-E293 PolarHBondContact OD1-N 3.39Å; E293-T295 VanDerWaalsContact C-N 3.29Å; E293-T295 PolarHBondContact O-N 3.39Å; E293-A296 PolarHBondContact O-N 2.97Å; E293-A297 WeakPolarHBondContact O-CB 3.04Å; E293-A297 PolarHBondContact O-N 3.38Å
294	L	93	Very high	90.7	Very high	30 Å²	30	49 Å²	49	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-36.3	177.1	-70.7	168.8	0	0	0	112.9	F221 L281 V289 D290 Y291 N292 A297	F221-L294 WeakPolarHBondContact CB-O 3.5Å; F221-L294 HydrophobicContact CD1-CB 3.69Å; F221-L294 HydrophobicContact CD2-CB 4.19Å; F221-L294 HydrophobicContact CD2-CD2 4.37Å; F221-L294 HydrophobicContact CE1-CB 3.74Å; F221-L294 HydrophobicContact CE1-CD1 4.04Å; F221-L294 HydrophobicContact CE1-CG 4.48Å; F221-L294 HydrophobicContact CE2-CB 4.24Å; F221-L294 HydrophobicContact CE2-CD1 3.86Å; F221-L294 HydrophobicContact CE2-CD2 4.31Å; F221-L294 HydrophobicContact CE2-CG 4.37Å; F221-L294 HydrophobicContact CG-CB 3.93Å; F221-L294 HydrophobicContact CZ-CB 4.03Å; F221-L294 HydrophobicContact CZ-CD1 3.56Å; F221-L294 HydrophobicContact CZ-CG 4.31Å; L281-L294 HydrophobicContact CD1-CD2 4.02Å; L281-L294 HydrophobicContact CD2-CD2 4.41Å; V289-L294 HydrophobicContact CG1-CD1 4.26Å; V289-L294 HydrophobicContact CG1-CD2 3.77Å; V289-L294 HydrophobicContact CG1-CG 3.71Å; D290-L294 WeakPolarHBondContact O-CG 3.43Å; D290-L294 PolarHBondContact O-N 3.06Å; Y291-L294 PolarHBondContact O-N 3.29Å; N292-L294 PolarHBondContact O-N 3.19Å; L294-A297 WeakPolarHBondContact O-CB 3.22Å
295	T	92.5	Very high	89.4	Confident	70 Å²	70	50.5 Å²	50.5	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-76.1	-37.3	-179.4	-54.5	0	0	0	0	111.5	Y291 N292 E293 A297	Y291-T295 WeakPolarHBondContact O-CB 3.49Å; Y291-T295 PolarHBondContact O-N 3.38Å; Y291-T295 PolarHBondContact O-OG1 3.37Å; N292-T295 PolarHBondContact O-N 3.2Å; E293-T295 VanDerWaalsContact C-N 3.29Å; E293-T295 PolarHBondContact O-N 3.39Å; T295-A297 VanDerWaalsContact C-N 3.32Å
296	A	92.6	Very high	87.7	Confident	28 Å²	28	56.9 Å²	56.9	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-74	-20.5	176.5	0	0	0	0	0	113.4	N292 E293 K298 E299 I300	N292-A296 WeakPolarHBondContact O-CB 3.5Å; N292-A296 PolarHBondContact O-N 3.23Å; E293-A296 PolarHBondContact O-N 2.97Å; A296-K298 VanDerWaalsContact C-N 3.26Å; A296-K298 PolarHBondContact O-N 3.16Å; A296-K298 VanDerWaalsContact O-N 3.16Å; A296-E299 PolarHBondContact O-N 3.24Å; A296-E299 VanDerWaalsContact O-N 3.08Å; A296-I300 HydrophobicContact CB-CD1 3.99Å; A296-I300 WeakPolarHBondContact O-CG1 3.5Å; A296-I300 PolarHBondContact O-N 3.44Å
297	A	93.3	Very high	85.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-54.7	-38	-174.4	0	0	0	0	0	113.7	I223 L281 F283 E293 L294 T295 E299 I300 F301	I223-A297 HydrophobicContact CD1-CB 3.61Å; I223-A297 HydrophobicContact CG1-CB 3.86Å; L281-A297 HydrophobicContact CD2-CB 3.88Å; F283-A297 HydrophobicContact CE2-CB 3.91Å; F283-A297 HydrophobicContact CZ-CB 3.87Å; E293-A297 WeakPolarHBondContact O-CB 3.04Å; E293-A297 PolarHBondContact O-N 3.38Å; L294-A297 WeakPolarHBondContact O-CB 3.22Å; T295-A297 VanDerWaalsContact C-N 3.32Å; A297-E299 PolarHBondContact O-N 3.32Å; A297-I300 PolarHBondContact O-N 3.5Å; A297-F301 HydrophobicContact CB-CD2 4.43Å; A297-F301 HydrophobicContact CB-CE2 3.96Å; A297-F301 HydrophobicContact CB-CZ 4.15Å; A297-F301 WeakPolarHBondContact O-CB 3.38Å; A297-F301 VanDerWaalsContact O-CD2 3.28Å; A297-F301 WeakPolarHBondContact O-CD2 3.41Å; A297-F301 WeakPolarHBondContact O-CG 3.19Å; A297-F301 PolarHBondContact O-N 3.04Å
298	K	91.6	Very high	83.7	Confident	117 Å²	117	60.1 Å²	60.1	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-50.3	177	180	-170	174.1	-167	0	111.4	A296 H302	A296-K298 VanDerWaalsContact C-N 3.26Å; A296-K298 PolarHBondContact O-N 3.16Å; A296-K298 VanDerWaalsContact O-N 3.16Å; K298-H302 WeakPolarHBondContact O-CB 3.45Å; K298-H302 PolarHBondContact O-N 3.39Å; K298-H302 VanDerWaalsContact O-N 3.11Å
299	E	91.3	Very high	81.3	Confident	122 Å²	122	66.7 Å²	66.7	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-69.1	-37.4	-178	-63.6	-179.7	170	0	0	111.4	A296 A297 G303	A296-E299 PolarHBondContact O-N 3.24Å; A296-E299 VanDerWaalsContact O-N 3.08Å; A297-E299 PolarHBondContact O-N 3.32Å; E299-G303 PolarHBondContact O-N 3.19Å
300	I	91.6	Very high	78.5	Confident	22 Å²	22	68.5 Å²	68.5	11%	0.113	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-43.1	178.2	-66	168.2	0	0	0	111.4	Y231 F283 A296 A297 G304	Y231-I300 HydrophobicContact CE2-CG2 3.92Å; F283-I300 HydrophobicContact CD1-CD1 4.03Å; F283-I300 HydrophobicContact CD1-CG2 4.1Å; F283-I300 HydrophobicContact CD2-CD1 3.59Å; F283-I300 HydrophobicContact CE1-CB 4.26Å; F283-I300 HydrophobicContact CE1-CD1 4.04Å; F283-I300 HydrophobicContact CE1-CG2 3.63Å; F283-I300 HydrophobicContact CE2-CD1 3.61Å; F283-I300 HydrophobicContact CG-CD1 3.81Å; F283-I300 HydrophobicContact CZ-CB 4.2Å; F283-I300 HydrophobicContact CZ-CD1 3.84Å; F283-I300 HydrophobicContact CZ-CG2 4.08Å; A296-I300 HydrophobicContact CB-CD1 3.99Å; A296-I300 WeakPolarHBondContact O-CG1 3.5Å; A296-I300 PolarHBondContact O-N 3.44Å; A297-I300 PolarHBondContact O-N 3.5Å; I300-G304 WeakPolarHBondContact O-CA 3.45Å; I300-G304 PolarHBondContact O-N 3.31Å
301	F	92	Very high	75.9	Confident	12 Å²	12	76.5 Å²	76.5	5%	0.053	40%	0.398	C	S	.	.	H	α-helix	trans	-68.6	-39.8	179.3	-62	-21.8	0	0	0	111.7	I223 E227 M228 Y231 I280 L281 F283 A297	I223-F301 HydrophobicContact CG1-CE2 4.47Å; I223-F301 HydrophobicContact CG2-CD2 3.91Å; I223-F301 HydrophobicContact CG2-CE2 3.74Å; E227-F301 HydrophobicContact CB-CB 4.06Å; M228-F301 HydrophobicContact CB-CD2 4.11Å; M228-F301 HydrophobicContact CB-CE2 3.94Å; M228-F301 HydrophobicContact CG-CD2 4.41Å; M228-F301 HydrophobicContact CG-CE2 3.75Å; M228-F301 HydrophobicContact CG-CZ 4.14Å; Y231-F301 AromaticContact CD1-CD1 3.87Å; Y231-F301 HydrophobicContact CD1-CD1 3.87Å; Y231-F301 AromaticContact CD1-CE1 3.65Å; Y231-F301 HydrophobicContact CD1-CE1 3.65Å; Y231-F301 AromaticContact CD2-CD1 3.62Å; Y231-F301 HydrophobicContact CD2-CD1 3.62Å; Y231-F301 HydrophobicContact CD2-CE1 4.24Å; Y231-F301 HydrophobicContact CE1-CD1 4.36Å; Y231-F301 HydrophobicContact CE1-CE1 4.02Å; Y231-F301 HydrophobicContact CE2-CD1 4.14Å; Y231-F301 AromaticContact CG-CD1 3.45Å; Y231-F301 HydrophobicContact CG-CD1 3.45Å; Y231-F301 VanDerWaalsContact CG-CD1 3.45Å; Y231-F301 AromaticContact CG-CE1 3.75Å; Y231-F301 HydrophobicContact CG-CE1 3.75Å; Y231-F301 HydrophobicContact CG-CG 4.43Å; I280-F301 HydrophobicContact CD1-CE1 4.21Å; I280-F301 HydrophobicContact CD1-CZ 4.03Å; I280-F301 HydrophobicContact CG1-CE1 4.22Å; I280-F301 HydrophobicContact CG1-CZ 4.03Å; L281-F301 HydrophobicContact CD2-CE2 4.06Å; L281-F301 HydrophobicContact CD2-CZ 3.64Å; F283-F301 AromaticContact CE1-CE1 3.85Å; F283-F301 HydrophobicContact CE1-CE1 3.85Å; F283-F301 HydrophobicContact CZ-CD1 4.5Å; F283-F301 AromaticContact CZ-CE1 3.76Å; F283-F301 HydrophobicContact CZ-CE1 3.76Å; F283-F301 HydrophobicContact CZ-CZ 4.09Å; A297-F301 HydrophobicContact CB-CD2 4.43Å; A297-F301 HydrophobicContact CB-CE2 3.96Å; A297-F301 HydrophobicContact CB-CZ 4.15Å; A297-F301 WeakPolarHBondContact O-CB 3.38Å; A297-F301 VanDerWaalsContact O-CD2 3.28Å; A297-F301 WeakPolarHBondContact O-CD2 3.41Å; A297-F301 WeakPolarHBondContact O-CG 3.19Å; A297-F301 PolarHBondContact O-N 3.04Å
302	H	86.5	Confident	73.2	Confident	142 Å²	142	72.8 Å²	72.8	66%	0.657	40%	0.395	S	S	*	.	H	α-helix	trans	-66.3	-45.5	175.6	-167.9	72.2	0	0	0	112.8	E227 K298 G304	E227-H302 IonicContact OE1-CE1 3.5Å; E227-H302 IonicContact OE1-CG 2.79Å; E227-H302 IonicContact OE1-ND1 3.99Å; E227-H302 PolarHBondContact OE1-ND1 3.05Å; K298-H302 WeakPolarHBondContact O-CB 3.45Å; K298-H302 PolarHBondContact O-N 3.39Å; K298-H302 VanDerWaalsContact O-N 3.11Å; H302-G304 VanDerWaalsContact C-N 3.34Å
303	G	80.7	Confident	70.7	Confident	46 Å²	46	75.7 Å²	75.7	47%	0.474	40%	0.404	S	S	.	.	H	α-helix	trans	-79.6	-11.5	-179.2	0	0	0	0	0	114.9	E299	E299-G303 PolarHBondContact O-N 3.19Å
304	G	73.9	Confident	68.1	Low	10 Å²	10	81.6 Å²	81.6	10%	0.103	44%	0.435	C	S	.	.			trans	67.8	-170.3	-174.7	0	0	0	0	0	113.7	I300 H302 N306 A307	I300-G304 WeakPolarHBondContact O-CA 3.45Å; I300-G304 PolarHBondContact O-N 3.31Å; H302-G304 VanDerWaalsContact C-N 3.34Å; G304-N306 PolarHBondContact O-N 3.18Å; G304-A307 WeakPolarHBondContact O-CB 3.28Å; G304-A307 PolarHBondContact O-N 2.95Å
305	F	63.9	Low	65.5	Low	74 Å²	74	89.4 Å²	89.4	33%	0.325	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.2	-174.1	-73.3	-71.1	0	0	0	115	Y231 R234 Y235 A307 S308	Y231-F305 HydrophobicContact CD1-CZ 4.41Å; Y231-F305 HydrophobicContact CD2-CZ 4.29Å; Y231-F305 AromaticContact CE1-CE1 3.9Å; Y231-F305 HydrophobicContact CE1-CE1 3.9Å; Y231-F305 HydrophobicContact CE1-CZ 4.03Å; Y231-F305 HydrophobicContact CE2-CD1 4.04Å; Y231-F305 AromaticContact CE2-CE1 3.74Å; Y231-F305 HydrophobicContact CE2-CE1 3.74Å; Y231-F305 HydrophobicContact CE2-CE2 4.39Å; Y231-F305 HydrophobicContact CE2-CG 4.46Å; Y231-F305 AromaticContact CE2-CZ 3.9Å; Y231-F305 HydrophobicContact CE2-CZ 3.9Å; Y231-F305 AromaticContact CZ-CD1 3.93Å; Y231-F305 AromaticContact CZ-CE1 3.36Å; Y231-F305 AromaticContact CZ-CZ 3.77Å; Y231-F305 VanDerWaalsContact OH-CE1 3.24Å; Y231-F305 WeakPolarHBondContact OH-CE1 3.28Å; R234-F305 HydrophobicContact CB-CE2 3.64Å; R234-F305 HydrophobicContact CB-CZ 4.4Å; Y235-F305 VanDerWaalsContact CA-CZ 3.5Å; Y235-F305 AromaticContact CD2-CE1 3.77Å; Y235-F305 HydrophobicContact CD2-CE1 3.77Å; Y235-F305 HydrophobicContact CD2-CZ 4.04Å; Y235-F305 HydrophobicContact CG-CZ 4.42Å; F305-A307 VanDerWaalsContact C-N 3.27Å; F305-A307 PolarHBondContact O-N 3.23Å; F305-S308 PolarHBondContact O-N 3.08Å; F305-S308 PolarHBondContact O-OG 2.87Å
306	N	54.7	Low	62.6	Low	139 Å²	139	94.8 Å²	94.8	74%	0.743	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.2	-178.8	-68.1	-25.5	0	0	0	113	G304	G304-N306 PolarHBondContact O-N 3.18Å
307	A	51.6	Low	59.8	Low	34 Å²	34	103.2 Å²	103.2	28%	0.281	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-67.7	-35.8	177.1	0	0	0	0	0	112.5	G304 F305 K309 S310	G304-A307 WeakPolarHBondContact O-CB 3.28Å; G304-A307 PolarHBondContact O-N 2.95Å; F305-A307 VanDerWaalsContact C-N 3.27Å; F305-A307 PolarHBondContact O-N 3.23Å; A307-K309 PolarHBondContact O-N 3.13Å; A307-S310 PolarHBondContact O-N 2.79Å; A307-S310 PolarHBondContact O-OG 3.25Å; A307-S310 VanDerWaalsContact O-OG 3.04Å
308	S	49.7	Very low	57.1	Low	62 Å²	62	114.8 Å²	114.8	43%	0.434	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-67.5	-17.1	-176	69.1	0	0	0	0	115	F305	F305-S308 PolarHBondContact O-N 3.08Å; F305-S308 PolarHBondContact O-OG 2.87Å
309	K	43.7	Very low	55.3	Low	177 Å²	177	114.7 Å²	114.7	77%	0.77	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-85.7	-6.3	179.9	-76.1	-176.2	178.8	175	0	114.1	A307 E311	A307-K309 PolarHBondContact O-N 3.13Å; K309-E311 PolarHBondContact O-N 3.12Å; K309-E311 VanDerWaalsContact O-N 3.15Å
310	S	34.5	Very low	53.4	Low	53 Å²	53	114.3 Å²	114.3	37%	0.371	59%	0.588	S	S	.	*			trans	-81.6	90.7	171.5	66.2	0	0	0	0	109.6	A307 S312	A307-S310 PolarHBondContact O-N 2.79Å; A307-S310 PolarHBondContact O-OG 3.25Å; A307-S310 VanDerWaalsContact O-OG 3.04Å; S310-S312 PolarHBondContact O-N 3.28Å
311	E	38.9	Very low	51.3	Low	202 Å²	202	119.4 Å²	119.4	94%	0.944	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	14.2	171.3	-90.3	-177.1	153.9	0	0	114.2	K309	K309-E311 PolarHBondContact O-N 3.12Å; K309-E311 VanDerWaalsContact O-N 3.15Å
312	S	36.4	Very low	48.9	Very low	83 Å²	83	125.8 Å²	125.8	58%	0.58	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-7.1	-174.9	60	0	0	0	0	115.5	S310	S310-S312 PolarHBondContact O-N 3.28Å
313	F	39.3	Very low	46.6	Very low	152 Å²	152	124.8 Å²	124.8	67%	0.667	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	0.2	-174.4	-99.9	-87.9	0	0	0	116.3
314	L	38.8	Very low	44.3	Very low	138 Å²	138	130 Å²	130	72%	0.723	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	20.1	-177.6	-74.8	167.5	0	0	0	114.3	N292	N292-L314 HydrophobicContact CB-CD2 4.25Å
315	K	37.2	Very low	42.2	Very low	195 Å²	195	138.6 Å²	138.6	85%	0.848	70%	0.698	S	S	*	*	S	Bend	trans	-126.9	2.2	179	-79.2	-170.8	178.3	176.9	0	116.3
316	E	33	Very low	40.5	Very low	183 Å²	183	143.5 Å²	143.5	86%	0.855	73%	0.727	S	S	*	*	S	Bend	trans	-114.3	81.6	171.1	-84.1	-179.3	150.4	0	0	109.5
317	E	34	Very low	39.3	Very low	205 Å²	205	143.9 Å²	143.9	96%	0.958	73%	0.725	S	S	*	*			trans	173.4	89.1	145.7	-96.6	-177	-173.7	0	0	107.2
318	L	35	Very low	38.2	Very low	243 Å²	243	153.9 Å²	153.9	100%	1.272	77%	0.765	S	S	*	*			trans	-118.3	0	169.7	-139.8	161.1	0	0	0	107.5

Retrieved 318 of 318 residues in 162.9 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).