A0A077ZHZ9_TRITR Loading...

ZSWIM3 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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	44	Very low	49.8	Very low	248 Å²	248	157.1 Å²	157.1	100%	1.222	88%	0.877	S	S	*	*				0	143.7	0	-69.9	-178.7	167.2	0	0	107.8
2	T	48.9	Very low	49.8	Very low	148 Å²	148	158.8 Å²	158.8	91%	0.908	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-57.2	136.7	-150.1	35	0	0	0	0	117.4
3	T	56	Low	49.5	Very low	135 Å²	135	154.2 Å²	154.2	83%	0.828	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-72.6	131.1	173.6	42.6	0	0	0	0	112.7
4	D	45.8	Very low	49.7	Very low	163 Å²	163	155.5 Å²	155.5	87%	0.872	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-81	130.9	169.5	-160.2	-6.5	0	0	0	110.1
5	R	55.1	Low	49.5	Very low	228 Å²	228	155.2 Å²	155.2	86%	0.86	84%	0.842	S	S	*	*			trans	-129	99.5	178.7	-111.2	-173.8	170.2	-171	-2.4	108.8
6	S	50.9	Low	49.5	Very low	121 Å²	121	154.5 Å²	154.5	85%	0.846	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-60.3	128	168.7	179.3	0	0	0	0	111.2
7	V	55	Low	49	Very low	135 Å²	135	153.2 Å²	153.2	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-96.3	116.6	178.2	176.4	0	0	0	0	108.8
8	A	52.1	Low	48.6	Very low	84 Å²	84	151.2 Å²	151.2	69%	0.694	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-77.3	149.8	172.4	0	0	0	0	0	111.5
9	P	50.8	Low	48.2	Very low	123 Å²	123	153.1 Å²	153.1	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-78.6	143.9	-169.5	31	-33.9	0	0	0	113.6	L11	P9-L11 PolarHBondContact O-N 3.45Å
10	L	42.9	Very low	48.6	Very low	178 Å²	178	149.1 Å²	149.1	93%	0.932	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-64.5	118.9	178.5	-142.3	88.2	0	0	0	111.3
11	L	46.8	Very low	48.6	Very low	165 Å²	165	148.2 Å²	148.2	86%	0.864	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-70.4	125.1	172.8	-84.2	156.3	0	0	0	111	P9	P9-L11 PolarHBondContact O-N 3.45Å
12	Q	49.4	Very low	49	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-65.9	144.4	174.2	-78	176.7	-5.4	0	0	112	Q14	Q12-Q14 PolarHBondContact O-N 3.38Å
13	P	45.3	Very low	49.1	Very low	100 Å²	100	143.4 Å²	143.4	65%	0.649	77%	0.773	S	S	*	*			trans	-70.6	114.4	174.6	-2.7	17.4	0	0	0	110.2	Q15	P13-Q15 PolarHBondContact O-N 3.22Å
14	Q	53.4	Low	48.4	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.804	76%	0.762	S	S	*	*			trans	-65.7	124.1	175.1	-65.8	-177.5	-2.9	0	0	110.7	Q12	Q12-Q14 PolarHBondContact O-N 3.38Å
15	Q	45.5	Very low	48.4	Very low	151 Å²	151	139.4 Å²	139.4	71%	0.706	75%	0.75	S	S	*	*			trans	-72.2	122.4	165.5	-73.2	-170.7	-4.2	0	0	109.2	P13 Q17	P13-Q15 PolarHBondContact O-N 3.22Å; Q15-Q17 PolarHBondContact O-N 3.47Å
16	L	49.4	Very low	47.7	Very low	144 Å²	144	134.1 Å²	134.1	75%	0.754	74%	0.738	S	S	*	*			trans	-84.9	106.6	167.8	-81.3	161	0	0	0	108.9
17	Q	42.2	Very low	47.6	Very low	133 Å²	133	134.8 Å²	134.8	62%	0.621	73%	0.731	S	S	*	*			trans	-85.4	114.2	165.3	-78	-167.2	8.1	0	0	109.6	Q15	Q15-Q17 PolarHBondContact O-N 3.47Å
18	L	42.2	Very low	47.1	Very low	117 Å²	117	138.6 Å²	138.6	61%	0.613	73%	0.731	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.8	113.1	161.8	-108.7	110.7	0	0	0	108.8	V20	L18-V20 PolarHBondContact O-N 3.43Å
19	K	40.8	Very low	46.8	Very low	186 Å²	186	143.5 Å²	143.5	81%	0.809	73%	0.731	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.3	100.9	175.2	-158.3	163.3	-173.8	174.4	0	108.8
20	V	56.5	Low	46.9	Very low	74 Å²	74	143.6 Å²	143.6	45%	0.448	73%	0.732	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	135	168.7	-167.9	0	0	0	0	107.4	L18 G22 R23	L18-V20 PolarHBondContact O-N 3.43Å; V20-G22 PolarHBondContact O-N 3.49Å; V20-G22 VanDerWaalsContact O-N 3.13Å; V20-R23 PolarHBondContact O-N 3.43Å
21	P	48.6	Very low	47	Very low	131 Å²	131	143.7 Å²	143.7	85%	0.851	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	121	175.2	-18.6	29.2	0	0	0	109.9
22	G	50.8	Low	46.8	Very low	82 Å²	82	141.3 Å²	141.3	85%	0.845	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	101	-19.1	174.5	0	0	0	0	0	117.1	V20	V20-G22 PolarHBondContact O-N 3.49Å; V20-G22 VanDerWaalsContact O-N 3.13Å
23	R	51.9	Low	46.5	Very low	212 Å²	212	139.5 Å²	139.5	80%	0.8	72%	0.718	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-152.7	129.2	173.8	-74.1	-172.5	172	159.2	-3.7	111.9	V20	V20-R23 PolarHBondContact O-N 3.43Å
24	T	42.3	Very low	46.1	Very low	96 Å²	96	143.1 Å²	143.1	59%	0.589	72%	0.724	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.8	116.6	170.1	-56.6	0	0	0	0	109.4	L26	T24-L26 HydrophobicContact CG2-CG 4.4Å
25	L	44.2	Very low	45.4	Very low	118 Å²	118	140.9 Å²	140.9	62%	0.618	73%	0.726	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96	112.1	168.7	-76.3	167.7	0	0	0	108.9
26	L	41.1	Very low	45.4	Very low	117 Å²	117	141.2 Å²	141.2	61%	0.613	73%	0.727	S	S	*	*			trans	-88.9	103.9	170.5	-76.3	169.2	0	0	0	109	T24 R28	T24-L26 HydrophobicContact CG2-CG 4.4Å; L26-R28 PolarHBondContact O-N 2.93Å
27	I	49.4	Very low	44.8	Very low	135 Å²	135	139.7 Å²	139.7	69%	0.692	73%	0.729	S	S	*	*			trans	-85.3	99.6	170.7	-56.5	175.7	0	0	0	107.3
28	R	43.3	Very low	44.8	Very low	216 Å²	216	145.5 Å²	145.5	82%	0.815	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-78.8	124.7	168.9	-79.7	-172.9	169.6	-173	-2.5	109.1	L26	L26-R28 PolarHBondContact O-N 2.93Å
29	R	47	Very low	44.8	Very low	187 Å²	187	143.3 Å²	143.3	71%	0.706	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.6	129.1	162.9	-75.8	-178.1	165.7	-179.7	-4.6	108.4	F31	R29-F31 PolarHBondContact O-N 2.7Å
30	P	53.2	Low	44.9	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.8	129.3	167.8	26.6	-28.3	0	0	0	108.5	S32	P30-S32 PolarHBondContact O-N 3.48Å
31	F	43.8	Very low	44.3	Very low	180 Å²	180	144.9 Å²	144.9	79%	0.789	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-63.4	126.9	171	-89.5	-99.3	0	0	0	109.2	R29 N33	R29-F31 PolarHBondContact O-N 2.7Å; F31-N33 PolarHBondContact O-N 3.27Å
32	S	43.8	Very low	44.2	Very low	115 Å²	115	144 Å²	144	80%	0.804	77%	0.772	S	S	*	*			trans	-69.3	94	162.3	57.3	0	0	0	0	108.4	P30 F34	P30-S32 PolarHBondContact O-N 3.48Å; S32-F34 PolarHBondContact O-N 2.93Å
33	N	42.1	Very low	43.9	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	78%	0.776	S	S	*	*			trans	-85.5	93.4	168.2	-75.6	-16.4	0	0	0	108.8	F31 C35	F31-N33 PolarHBondContact O-N 3.27Å; N33-C35 PolarHBondContact O-N 2.78Å
34	F	37.3	Very low	43.8	Very low	175 Å²	175	145.1 Å²	145.1	77%	0.768	78%	0.775	S	S	*	*			trans	-62.7	105.8	156.7	-168.1	-100.1	0	0	0	107.5	S32 Q36	S32-F34 PolarHBondContact O-N 2.93Å; F34-Q36 HydrophobicContact CD1-CG 4.02Å; F34-Q36 HydrophobicContact CE1-CG 3.61Å; F34-Q36 HydrophobicContact CZ-CG 4.46Å
35	C	39	Very low	43.7	Very low	125 Å²	125	145.8 Å²	145.8	85%	0.845	78%	0.783	S	S	*	*			trans	-121.3	112.7	170.8	-131.3	0	0	0	0	108.8	N33	N33-C35 PolarHBondContact O-N 2.78Å
36	Q	44.6	Very low	43.6	Very low	158 Å²	158	149 Å²	149	74%	0.738	80%	0.797	S	S	*	*			trans	-69.1	147.1	-178.9	-63.4	171.7	21.1	0	0	110.8	F34	F34-Q36 HydrophobicContact CD1-CG 4.02Å; F34-Q36 HydrophobicContact CE1-CG 3.61Å; F34-Q36 HydrophobicContact CZ-CG 4.46Å
37	S	37.7	Very low	43.7	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	80%	0.804	S	S	*	*			trans	-62.1	136.4	174.1	30.8	0	0	0	0	113.8
38	R	41.8	Very low	43	Very low	254 Å²	254	151.5 Å²	151.5	96%	0.958	81%	0.808	S	S	*	*			trans	172.3	108	152	-95	163.7	-167.6	-138.1	4.6	104.8
39	G	41.6	Very low	42.9	Very low	72 Å²	72	147.7 Å²	147.7	74%	0.742	81%	0.809	S	S	*	*				95.9	87.7	62.5	0	0	0	0	0	108.9
40	N	44	Very low	42.4	Very low	173 Å²	173	147.9 Å²	147.9	93%	0.925	82%	0.815	S	S	*	*			trans	-175.1	136.7	136	-109.4	2.8	0	0	0	113.3
41	S	43.4	Very low	41.6	Very low	119 Å²	119	147.9 Å²	147.9	83%	0.832	82%	0.817	S	S	*	*			trans	-65.7	138.2	175.1	-65.6	0	0	0	0	113.4
42	S	46.3	Very low	41.5	Very low	114 Å²	114	148.1 Å²	148.1	80%	0.797	82%	0.818	S	S	*	*			trans	-169	115.1	142.7	36.5	0	0	0	0	108.3
43	Q	43.7	Very low	41.9	Very low	196 Å²	196	150.9 Å²	150.9	92%	0.916	82%	0.816	S	S	*	*			trans	-62.7	152.4	174.1	-64.5	-174.6	-64	0	0	111
44	P	49.6	Very low	42.9	Very low	120 Å²	120	150.4 Å²	150.4	78%	0.779	81%	0.809	S	S	*	*			trans	-114.8	130.5	148.5	28.5	-14.4	0	0	0	111.5
45	S	41.8	Very low	45	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	79%	0.787	S	S	*	*			trans	-31.2	149.1	160.6	48.3	0	0	0	0	117.1
46	M	41.2	Very low	47.4	Very low	185 Å²	185	138.7 Å²	138.7	91%	0.911	75%	0.749	S	S	*	*			trans	-52.8	127.1	163.9	-53.7	-132.3	-129.6	0	0	111.2
47	D	42.4	Very low	49.7	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	74%	0.743	S	S	*	*			trans	-161.7	136.8	146.7	-117.2	-28.7	0	0	0	113.6
48	E	35.9	Very low	52.4	Low	164 Å²	164	138.7 Å²	138.7	77%	0.766	73%	0.733	S	S	*	*			trans	9.7	115.5	158.4	-71.3	-178.7	75.7	0	0	121
49	T	41.3	Very low	54.8	Low	137 Å²	137	128.1 Å²	128.1	84%	0.84	70%	0.702	S	S	*	*			trans	-167.2	86.1	131.6	11.4	0	0	0	0	109.7
50	K	36.2	Very low	57.3	Low	191 Å²	191	127.5 Å²	127.5	83%	0.83	68%	0.682	S	S	*	*				64.1	94.5	92.2	-151.8	171	-167.4	170.1	0	112.5	K52	K50-K52 PolarHBondContact O-N 2.94Å
51	S	35.7	Very low	59.7	Low	124 Å²	124	126.2 Å²	126.2	87%	0.867	66%	0.664	S	S	*	*			trans	-22.6	97.5	171.6	-60.8	0	0	0	0	115.6	K53	S51-K53 PolarHBondContact O-N 3.32Å
52	K	42.3	Very low	62.2	Low	186 Å²	186	120.9 Å²	120.9	81%	0.809	63%	0.626	S	S	*	*			trans	-70.9	117.9	149.2	-85.3	175.4	178.2	170	0	106.2	K50 E54	K50-K52 PolarHBondContact O-N 2.94Å; K52-E54 PolarHBondContact O-N 3.37Å
53	K	52.5	Low	64.5	Low	173 Å²	173	119.3 Å²	119.3	75%	0.752	62%	0.615	S	S	*	*			trans	-59.3	93.4	161.6	-97.9	-176.3	172	-175.2	0	107	S51 S55	S51-K53 PolarHBondContact O-N 3.32Å; K53-S55 PolarHBondContact O-N 3.45Å
54	E	62.6	Low	67	Low	129 Å²	129	111.3 Å²	111.3	60%	0.603	58%	0.58	S	S	*	*			trans	-69.1	86.9	175.5	-72.9	176.6	178.5	0	0	108.2	K52 L71	K52-E54 PolarHBondContact O-N 3.37Å; E54-L71 HydrophobicContact CB-CD1 3.97Å; E54-L71 HydrophobicContact CB-CD2 4.29Å; E54-L71 VanDerWaalsContact O-CD1 3.28Å; E54-L71 WeakPolarHBondContact O-CD1 3.5Å
55	S	82.3	Confident	69.2	Low	44 Å²	44	105.8 Å²	105.8	31%	0.308	54%	0.544	S	S	.	.			trans	-70.2	141.3	168.2	60.7	0	0	0	0	109.1	K53 R57	K53-S55 PolarHBondContact O-N 3.45Å; S55-R57 PolarHBondContact O-N 3.44Å; S55-R57 PolarHBondContact OG-NE 3.5Å; S55-R57 PolarHBondContact OG-NH2 3.01Å
56	L	89.7	Confident	71.8	Confident	9 Å²	9	104 Å²	104	5%	0.047	53%	0.531	C	S	.	.			trans	-60	132.5	173.3	-65.7	175.5	0	0	0	111.3	L60 F62 L71 F72 W75 L139 L152 L155	L56-L60 HydrophobicContact CD2-CD1 4.49Å; L56-F62 HydrophobicContact CD2-CZ 4.05Å; L56-L71 HydrophobicContact CD2-CD2 3.69Å; L56-L71 HydrophobicContact CD2-CG 4.03Å; L56-F72 HydrophobicContact CD1-CD2 3.74Å; L56-W75 HydrophobicContact CD1-CB 3.92Å; L56-W75 HydrophobicContact CD1-CD2 3.47Å; L56-W75 VanDerWaalsContact CD1-CD2 3.47Å; L56-W75 HydrophobicContact CD1-CE3 3.51Å; L56-W75 HydrophobicContact CD1-CG 3.65Å; L56-W75 HydrophobicContact CD1-CZ3 4.14Å; L56-W75 HydrophobicContact CG-CB 4.2Å; L56-W75 HydrophobicContact CG-CD2 4.22Å; L56-W75 HydrophobicContact CG-CG 3.98Å; L56-L139 HydrophobicContact CD1-CD1 4.04Å; L56-L152 HydrophobicContact CB-CD2 4.16Å; L56-L152 HydrophobicContact CD2-CD2 4.4Å; L56-L155 HydrophobicContact CB-CD2 4.18Å; L56-L155 VanDerWaalsContact O-CD2 3.29Å; L56-L155 WeakPolarHBondContact O-CD2 3.4Å
57	R	91.3	Very high	74.3	Confident	161 Å²	161	98.9 Å²	98.9	61%	0.608	51%	0.505	S	S	*	.			trans	-140.8	150.8	176.3	-56.5	-177.7	-155.8	-90	1.4	110.4	S55 G59 L60 L152	S55-R57 PolarHBondContact O-N 3.44Å; S55-R57 PolarHBondContact OG-NE 3.5Å; S55-R57 PolarHBondContact OG-NH2 3.01Å; R57-G59 PolarHBondContact O-N 3.15Å; R57-L60 HydrophobicContact CB-CD1 4.42Å; R57-L60 HydrophobicContact CB-CG 4.3Å; R57-L60 VanDerWaalsContact N-CD1 3.3Å; R57-L60 WeakPolarHBondContact O-CB 3.33Å; R57-L60 VanDerWaalsContact O-CG 3.3Å; R57-L60 WeakPolarHBondContact O-CG 3.46Å; R57-L60 PolarHBondContact O-N 3.41Å; R57-L152 VanDerWaalsContact O-CD2 3.29Å; R57-L152 WeakPolarHBondContact O-CD2 3.43Å
58	I	94.1	Very high	76.9	Confident	111 Å²	111	92.1 Å²	92.1	57%	0.569	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	135	174.7	-58.5	175.9	0	0	0	109.3	L155	I58-L155 HydrophobicContact CD1-CB 4.38Å; I58-L155 HydrophobicContact CG1-CB 3.71Å
59	G	92.6	Very high	79.7	Confident	31 Å²	31	87.7 Å²	87.7	32%	0.32	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-6.5	-179.8	0	0	0	0	0	115.2	R57 L152	R57-G59 PolarHBondContact O-N 3.15Å; G59-L152 PolarHBondContact N-O 2.91Å
60	L	94	Very high	82.2	Confident	59 Å²	59	84.8 Å²	84.8	31%	0.309	43%	0.431	S	S	.	.			trans	-57.4	144.3	170.6	-73.6	-180	0	0	0	111	L56 R57 F62 R151 L152	L56-L60 HydrophobicContact CD2-CD1 4.49Å; R57-L60 HydrophobicContact CB-CD1 4.42Å; R57-L60 HydrophobicContact CB-CG 4.3Å; R57-L60 VanDerWaalsContact N-CD1 3.3Å; R57-L60 WeakPolarHBondContact O-CB 3.33Å; R57-L60 VanDerWaalsContact O-CG 3.3Å; R57-L60 WeakPolarHBondContact O-CG 3.46Å; R57-L60 PolarHBondContact O-N 3.41Å; L60-F62 HydrophobicContact CB-CE2 4.11Å; L60-F62 HydrophobicContact CB-CZ 4.1Å; L60-F62 HydrophobicContact CD1-CZ 4.33Å; L60-R151 WeakPolarHBondContact O-CA 3.23Å; L60-L152 HydrophobicContact CB-CB 4.49Å; L60-L152 PolarHBondContact O-N 3.13Å
61	R	95.3	Very high	85	Confident	147 Å²	147	76.3 Å²	76.3	56%	0.555	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.6	-177.1	-55.1	179.5	178.5	174.8	-10.4	108.3	E147 A149 L150 R151	R61-E147 VanDerWaalsContact CD-OE2 3.23Å; R61-E147 WeakPolarHBondContact CD-OE2 3.48Å; R61-E147 IonicContact CZ-OE1 3.27Å; R61-E147 VanDerWaalsContact CZ-OE1 3.26Å; R61-E147 IonicContact CZ-OE2 3.56Å; R61-E147 IonicContact NE-OE1 3.1Å; R61-E147 IonicContact NE-OE2 3.98Å; R61-E147 PolarHBondContact NE-OE2 2.87Å; R61-E147 IonicContact NH1-OE2 3.26Å; R61-E147 IonicContact NH2-OE1 3.1Å; R61-E147 PolarHBondContact NH2-OE1 3.48Å; R61-E147 IonicContact NH2-OE2 3Å; R61-E147 PolarHBondContact NH2-OE2 2.94Å; R61-A149 HydrophobicContact CB-CB 4.26Å; R61-L150 CarbonylContact C-O 3.52Å; R61-L150 WeakPolarHBondContact CA-O 3.4Å; R61-R151 HydrophobicContact CG-CG 4.32Å
62	F	95.7	Very high	87.8	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.8	178	-55.4	-83.3	0	0	0	109.3	L56 L60 S64 E67 F68 L71 L141 A149 L150 L152	L56-F62 HydrophobicContact CD2-CZ 4.05Å; L60-F62 HydrophobicContact CB-CE2 4.11Å; L60-F62 HydrophobicContact CB-CZ 4.1Å; L60-F62 HydrophobicContact CD1-CZ 4.33Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-E67 HydrophobicContact CD1-CG 4.11Å; F62-F68 HydrophobicContact CB-CB 4.14Å; F62-F68 HydrophobicContact CD1-CB 3.89Å; F62-F68 HydrophobicContact CD2-CB 3.93Å; F62-F68 HydrophobicContact CD2-CD2 4.07Å; F62-F68 HydrophobicContact CD2-CG 4.37Å; F62-F68 HydrophobicContact CE1-CB 4.26Å; F62-F68 HydrophobicContact CE1-CD2 4.35Å; F62-F68 HydrophobicContact CE2-CB 4.32Å; F62-F68 AromaticContact CE2-CD2 3.67Å; F62-F68 HydrophobicContact CE2-CD2 3.67Å; F62-F68 HydrophobicContact CE2-CG 4.41Å; F62-F68 HydrophobicContact CG-CB 3.7Å; F62-F68 HydrophobicContact CZ-CB 4.47Å; F62-F68 AromaticContact CZ-CD2 3.83Å; F62-F68 HydrophobicContact CZ-CD2 3.83Å; F62-L71 HydrophobicContact CE1-CD2 3.73Å; F62-L71 HydrophobicContact CZ-CD2 4.09Å; F62-L141 HydrophobicContact CD2-CD2 4.42Å; F62-A149 WeakPolarHBondContact O-CA 3.43Å; F62-L150 HydrophobicContact CB-CB 4.19Å; F62-L150 PolarHBondContact N-O 3.21Å; F62-L150 PolarHBondContact O-N 3.35Å; F62-L152 HydrophobicContact CE2-CB 4.41Å
63	S	94.2	Very high	90.2	Very high	81 Å²	81	64.4 Å²	64.4	57%	0.566	33%	0.328	S	S	*	.	S	Bend	trans	-76.4	-19.5	177.9	65.7	0	0	0	0	112.7	E67 V101 F102	S63-E67 WeakPolarHBondContact CB-OE2 3.48Å; S63-E67 PolarHBondContact N-OE2 3.49Å; S63-E67 PolarHBondContact OG-OE2 2.91Å; S63-V101 WeakPolarHBondContact O-CG1 3.47Å; S63-F102 WeakPolarHBondContact O-CE1 3.35Å; S63-F102 WeakPolarHBondContact O-CZ 3.32Å
64	S	95.6	Very high	92.1	Very high	28 Å²	28	62.3 Å²	62.3	20%	0.196	32%	0.315	C	S	.	.	S	Bend	trans	-149.8	161.9	175.1	69	0	0	0	0	111.9	F62 S66 E67 F68	F62-S64 VanDerWaalsContact C-N 3.29Å; S64-S66 VanDerWaalsContact C-N 3.3Å; S64-E67 WeakPolarHBondContact OG-CB 3.35Å; S64-E67 PolarHBondContact OG-N 3.45Å; S64-F68 PolarHBondContact O-N 3.48Å
65	F	96.4	Very high	93.5	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.022	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-34.1	172.5	-176	-99.9	0	0	0	112.4	E67 F68 E69 V101 F102 K103 Y104 I107 L150	F65-E67 VanDerWaalsContact C-N 3.35Å; F65-E67 PolarHBondContact O-N 3Å; F65-F68 HydrophobicContact CD2-CD1 4.26Å; F65-F68 HydrophobicContact CE2-CD1 4.01Å; F65-F68 HydrophobicContact CE2-CE1 4.32Å; F65-F68 PolarHBondContact O-N 3.43Å; F65-E69 HydrophobicContact CD1-CB 4.41Å; F65-E69 HydrophobicContact CE1-CB 4.14Å; F65-E69 HydrophobicContact CE1-CG 4.39Å; F65-E69 VanDerWaalsContact O-CB 3.31Å; F65-E69 WeakPolarHBondContact O-CB 3.41Å; F65-E69 PolarHBondContact O-N 2.95Å; F65-V101 WeakPolarHBondContact CB-O 3.36Å; F65-V101 PolarHBondContact N-O 3.28Å; F65-F102 WeakPolarHBondContact CB-O 3.4Å; F65-K103 HydrophobicContact CB-CD 4.41Å; F65-K103 HydrophobicContact CB-CG 4.38Å; F65-K103 HydrophobicContact CD1-CD 3.77Å; F65-K103 HydrophobicContact CE1-CD 4.39Å; F65-K103 HydrophobicContact CG-CB 4.5Å; F65-K103 HydrophobicContact CG-CD 4.24Å; F65-Y104 HydrophobicContact CD1-CE2 4.5Å; F65-Y104 AromaticContact CD2-CD2 3.7Å; F65-Y104 HydrophobicContact CD2-CD2 3.7Å; F65-Y104 HydrophobicContact CD2-CE2 4.1Å; F65-Y104 HydrophobicContact CE1-CE2 4.04Å; F65-Y104 AromaticContact CE2-CD2 3.5Å; F65-Y104 HydrophobicContact CE2-CD2 3.5Å; F65-Y104 AromaticContact CE2-CE2 3.61Å; F65-Y104 HydrophobicContact CE2-CE2 3.61Å; F65-Y104 HydrophobicContact CG-CD2 4.33Å; F65-Y104 AromaticContact CZ-CD2 3.99Å; F65-Y104 HydrophobicContact CZ-CD2 3.99Å; F65-Y104 AromaticContact CZ-CE2 3.57Å; F65-Y104 HydrophobicContact CZ-CE2 3.57Å; F65-I107 HydrophobicContact CE2-CD1 4.4Å; F65-I107 HydrophobicContact CE2-CG2 4.44Å; F65-L150 HydrophobicContact CB-CD1 4.08Å; F65-L150 HydrophobicContact CD2-CD1 4.19Å
66	S	96	Very high	94	Very high	71 Å²	71	55.7 Å²	55.7	50%	0.497	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-40.1	179.3	-171.6	0	0	0	0	112.3	S64 E69 T70	S64-S66 VanDerWaalsContact C-N 3.3Å; S66-E69 PolarHBondContact O-N 3Å; S66-T70 WeakPolarHBondContact O-CB 3.36Å; S66-T70 PolarHBondContact O-N 3.45Å; S66-T70 PolarHBondContact O-OG1 2.93Å
67	E	95.1	Very high	94	Very high	78 Å²	78	57.4 Å²	57.4	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-49.7	175.1	-175.2	-169.8	174.2	0	0	111.1	F62 S63 S64 F65 L71	F62-E67 HydrophobicContact CD1-CG 4.11Å; S63-E67 WeakPolarHBondContact CB-OE2 3.48Å; S63-E67 PolarHBondContact N-OE2 3.49Å; S63-E67 PolarHBondContact OG-OE2 2.91Å; S64-E67 WeakPolarHBondContact OG-CB 3.35Å; S64-E67 PolarHBondContact OG-N 3.45Å; F65-E67 VanDerWaalsContact C-N 3.35Å; F65-E67 PolarHBondContact O-N 3Å; E67-L71 PolarHBondContact O-N 3.26Å
68	F	95.6	Very high	93.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-49.2	174.4	164.9	-105.7	0	0	0	111.9	F62 S64 F65 T70 L71 F72 Y109 L139 L141	F62-F68 HydrophobicContact CB-CB 4.14Å; F62-F68 HydrophobicContact CD1-CB 3.89Å; F62-F68 HydrophobicContact CD2-CB 3.93Å; F62-F68 HydrophobicContact CD2-CD2 4.07Å; F62-F68 HydrophobicContact CD2-CG 4.37Å; F62-F68 HydrophobicContact CE1-CB 4.26Å; F62-F68 HydrophobicContact CE1-CD2 4.35Å; F62-F68 HydrophobicContact CE2-CB 4.32Å; F62-F68 AromaticContact CE2-CD2 3.67Å; F62-F68 HydrophobicContact CE2-CD2 3.67Å; F62-F68 HydrophobicContact CE2-CG 4.41Å; F62-F68 HydrophobicContact CG-CB 3.7Å; F62-F68 HydrophobicContact CZ-CB 4.47Å; F62-F68 AromaticContact CZ-CD2 3.83Å; F62-F68 HydrophobicContact CZ-CD2 3.83Å; S64-F68 PolarHBondContact O-N 3.48Å; F65-F68 HydrophobicContact CD2-CD1 4.26Å; F65-F68 HydrophobicContact CE2-CD1 4.01Å; F65-F68 HydrophobicContact CE2-CE1 4.32Å; F65-F68 PolarHBondContact O-N 3.43Å; F68-T70 VanDerWaalsContact C-N 3.33Å; F68-T70 PolarHBondContact O-N 2.89Å; F68-L71 PolarHBondContact O-N 3.25Å; F68-F72 HydrophobicContact CD2-CB 4.28Å; F68-F72 HydrophobicContact CE1-CB 4.16Å; F68-F72 HydrophobicContact CE1-CD1 4.25Å; F68-F72 HydrophobicContact CE1-CG 4.22Å; F68-F72 HydrophobicContact CE2-CB 3.79Å; F68-F72 HydrophobicContact CE2-CD2 4.2Å; F68-F72 HydrophobicContact CE2-CG 4.06Å; F68-F72 HydrophobicContact CZ-CB 3.73Å; F68-F72 HydrophobicContact CZ-CD1 4Å; F68-F72 AromaticContact CZ-CD2 3.95Å; F68-F72 HydrophobicContact CZ-CD2 3.95Å; F68-F72 AromaticContact CZ-CG 3.63Å; F68-F72 HydrophobicContact CZ-CG 3.63Å; F68-F72 WeakPolarHBondContact O-CB 2.99Å; F68-F72 PolarHBondContact O-N 3.26Å; F68-Y109 AromaticContact CE1-CE2 3.88Å; F68-Y109 HydrophobicContact CE1-CE2 3.88Å; F68-Y109 HydrophobicContact CZ-CE2 4.03Å; F68-L139 HydrophobicContact CE2-CD2 4.29Å; F68-L139 HydrophobicContact CZ-CD2 3.91Å; F68-L141 HydrophobicContact CB-CD2 4.15Å; F68-L141 HydrophobicContact CD1-CD2 3.54Å; F68-L141 HydrophobicContact CD2-CD1 4.02Å; F68-L141 HydrophobicContact CD2-CD2 3.53Å; F68-L141 HydrophobicContact CD2-CG 4.37Å; F68-L141 HydrophobicContact CE1-CD1 4.15Å; F68-L141 HydrophobicContact CE1-CD2 3.76Å; F68-L141 HydrophobicContact CE2-CD1 3.41Å; F68-L141 VanDerWaalsContact CE2-CD1 3.41Å; F68-L141 HydrophobicContact CE2-CD2 3.75Å; F68-L141 HydrophobicContact CE2-CG 4.22Å; F68-L141 HydrophobicContact CG-CD2 3.41Å; F68-L141 VanDerWaalsContact CG-CD2 3.41Å; F68-L141 HydrophobicContact CZ-CD1 3.48Å; F68-L141 VanDerWaalsContact CZ-CD1 3.48Å; F68-L141 HydrophobicContact CZ-CD2 3.85Å; F68-L141 HydrophobicContact CZ-CG 4.33Å
69	E	95.2	Very high	93.6	Very high	70 Å²	70	52.1 Å²	52.1	33%	0.327	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-43.7	-175.3	-176.1	165.8	-133.4	0	0	111.2	F65 S66 L71 F72 E73	F65-E69 HydrophobicContact CD1-CB 4.41Å; F65-E69 HydrophobicContact CE1-CB 4.14Å; F65-E69 HydrophobicContact CE1-CG 4.39Å; F65-E69 VanDerWaalsContact O-CB 3.31Å; F65-E69 WeakPolarHBondContact O-CB 3.41Å; F65-E69 PolarHBondContact O-N 2.95Å; S66-E69 PolarHBondContact O-N 3Å; E69-L71 PolarHBondContact O-N 3.03Å; E69-F72 PolarHBondContact O-N 2.98Å; E69-E73 HydrophobicContact CG-CG 4.36Å; E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 VanDerWaalsContact O-CG 3.31Å; E69-E73 WeakPolarHBondContact O-CG 3.41Å; E69-E73 PolarHBondContact O-N 3.11Å
70	T	94.3	Very high	93.6	Very high	77 Å²	77	55.2 Å²	55.2	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-45.9	176.6	-58.4	0	0	0	0	111.8	S66 F68 R74	S66-T70 WeakPolarHBondContact O-CB 3.36Å; S66-T70 PolarHBondContact O-N 3.45Å; S66-T70 PolarHBondContact O-OG1 2.93Å; F68-T70 VanDerWaalsContact C-N 3.33Å; F68-T70 PolarHBondContact O-N 2.89Å; T70-R74 PolarHBondContact O-N 3.18Å
71	L	94.2	Very high	93.4	Very high	12 Å²	12	53 Å²	53	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-40.9	178.4	-169.1	63.4	0	0	0	111.8	E54 L56 F62 E67 F68 E69 R74 W75	E54-L71 HydrophobicContact CB-CD1 3.97Å; E54-L71 HydrophobicContact CB-CD2 4.29Å; E54-L71 VanDerWaalsContact O-CD1 3.28Å; E54-L71 WeakPolarHBondContact O-CD1 3.5Å; L56-L71 HydrophobicContact CD2-CD2 3.69Å; L56-L71 HydrophobicContact CD2-CG 4.03Å; F62-L71 HydrophobicContact CE1-CD2 3.73Å; F62-L71 HydrophobicContact CZ-CD2 4.09Å; E67-L71 PolarHBondContact O-N 3.26Å; F68-L71 PolarHBondContact O-N 3.25Å; E69-L71 PolarHBondContact O-N 3.03Å; L71-R74 PolarHBondContact O-N 3.48Å; L71-W75 WeakPolarHBondContact O-CB 3.46Å; L71-W75 PolarHBondContact O-N 3.4Å
72	F	94.7	Very high	93.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68	-44.1	-178.6	-179.4	-119.7	0	0	0	112.1	L56 F68 E69 R74 W75 K76 F83 Y109 L139	L56-F72 HydrophobicContact CD1-CD2 3.74Å; F68-F72 HydrophobicContact CD2-CB 4.28Å; F68-F72 HydrophobicContact CE1-CB 4.16Å; F68-F72 HydrophobicContact CE1-CD1 4.25Å; F68-F72 HydrophobicContact CE1-CG 4.22Å; F68-F72 HydrophobicContact CE2-CB 3.79Å; F68-F72 HydrophobicContact CE2-CD2 4.2Å; F68-F72 HydrophobicContact CE2-CG 4.06Å; F68-F72 HydrophobicContact CZ-CB 3.73Å; F68-F72 HydrophobicContact CZ-CD1 4Å; F68-F72 AromaticContact CZ-CD2 3.95Å; F68-F72 HydrophobicContact CZ-CD2 3.95Å; F68-F72 AromaticContact CZ-CG 3.63Å; F68-F72 HydrophobicContact CZ-CG 3.63Å; F68-F72 WeakPolarHBondContact O-CB 2.99Å; F68-F72 PolarHBondContact O-N 3.26Å; E69-F72 PolarHBondContact O-N 2.98Å; F72-R74 VanDerWaalsContact C-N 3.35Å; F72-W75 HydrophobicContact CD2-CE3 4.04Å; F72-W75 HydrophobicContact CD2-CZ3 4.36Å; F72-W75 HydrophobicContact CE2-CE3 4.04Å; F72-W75 AromaticContact CE2-CZ3 3.94Å; F72-W75 HydrophobicContact CE2-CZ3 3.94Å; F72-W75 PolarHBondContact O-N 3.4Å; F72-K76 HydrophobicContact CD1-CD 4.12Å; F72-K76 HydrophobicContact CD2-CG 4.3Å; F72-K76 HydrophobicContact CE1-CD 3.6Å; F72-K76 HydrophobicContact CE1-CG 4.32Å; F72-K76 HydrophobicContact CE2-CD 4.1Å; F72-K76 HydrophobicContact CE2-CG 3.99Å; F72-K76 HydrophobicContact CZ-CD 3.61Å; F72-K76 HydrophobicContact CZ-CG 4.03Å; F72-K76 WeakPolarHBondContact O-CB 3.19Å; F72-K76 VanDerWaalsContact O-CG 3.31Å; F72-K76 WeakPolarHBondContact O-CG 3.17Å; F72-K76 PolarHBondContact O-N 3.15Å; F72-F83 HydrophobicContact CE2-CD2 4.33Å; F72-F83 HydrophobicContact CZ-CB 3.79Å; F72-F83 HydrophobicContact CZ-CD2 4.27Å; F72-F83 HydrophobicContact CZ-CG 4.08Å; F72-Y109 HydrophobicContact CD1-CE1 4.4Å; F72-Y109 AromaticContact CE1-CD1 3.65Å; F72-Y109 HydrophobicContact CE1-CD1 3.65Å; F72-Y109 HydrophobicContact CE1-CD2 4.31Å; F72-Y109 AromaticContact CE1-CE1 3.53Å; F72-Y109 HydrophobicContact CE1-CE1 3.53Å; F72-Y109 HydrophobicContact CE1-CE2 4.2Å; F72-Y109 HydrophobicContact CE1-CG 4.03Å; F72-Y109 AromaticContact CE1-CZ 3.82Å; F72-Y109 AromaticContact CZ-CD1 3.79Å; F72-Y109 HydrophobicContact CZ-CD1 3.79Å; F72-Y109 HydrophobicContact CZ-CD2 4.2Å; F72-Y109 HydrophobicContact CZ-CE1 4.16Å; F72-Y109 AromaticContact CZ-CG 3.8Å; F72-Y109 HydrophobicContact CZ-CG 3.8Å; F72-L139 HydrophobicContact CD2-CD1 4.1Å; F72-L139 HydrophobicContact CE2-CD1 3.82Å; F72-L139 HydrophobicContact CE2-CD2 4.46Å
73	E	92.9	Very high	93	Very high	61 Å²	61	47 Å²	47	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-40.8	176	-70.1	-61.5	156.6	0	0	111.6	E69 K76 A77 R176	E69-E73 HydrophobicContact CG-CG 4.36Å; E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 VanDerWaalsContact O-CG 3.31Å; E69-E73 WeakPolarHBondContact O-CG 3.41Å; E69-E73 PolarHBondContact O-N 3.11Å; E73-K76 PolarHBondContact O-N 3.1Å; E73-K76 WeakPolarHBondContact OE1-CE 3.37Å; E73-K76 IonicContact OE1-NZ 3.85Å; E73-K76 PolarHBondContact OE1-NZ 3.34Å; E73-K76 WeakPolarHBondContact OE2-CE 3.36Å; E73-K76 IonicContact OE2-NZ 3.35Å; E73-K76 PolarHBondContact OE2-NZ 3.41Å; E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 3.13Å; E73-R176 IonicContact OE1-NH1 3.89Å
74	R	92.2	Very high	92.9	Very high	129 Å²	129	48.6 Å²	48.6	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-49.9	173	-172.7	-174.9	-58.6	120.6	2.5	111.5	T70 L71 F72 K76 A77 E78	T70-R74 PolarHBondContact O-N 3.18Å; L71-R74 PolarHBondContact O-N 3.48Å; F72-R74 VanDerWaalsContact C-N 3.35Å; R74-K76 VanDerWaalsContact C-N 3.33Å; R74-K76 PolarHBondContact O-N 3.43Å; R74-A77 PolarHBondContact O-N 3.48Å; R74-A77 VanDerWaalsContact O-N 3.16Å; R74-E78 HydrophobicContact CG-CG 4.49Å; R74-E78 WeakPolarHBondContact O-CG 3.47Å; R74-E78 PolarHBondContact O-N 2.86Å
75	W	92.8	Very high	92.9	Very high	22 Å²	22	50.1 Å²	50.1	8%	0.083	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-40.3	179.7	176.5	80.5	0	0	0	112.5	L56 L71 F72 E78 N79 H81 F83 L155 A157	L56-W75 HydrophobicContact CD1-CB 3.92Å; L56-W75 HydrophobicContact CD1-CD2 3.47Å; L56-W75 VanDerWaalsContact CD1-CD2 3.47Å; L56-W75 HydrophobicContact CD1-CE3 3.51Å; L56-W75 HydrophobicContact CD1-CG 3.65Å; L56-W75 HydrophobicContact CD1-CZ3 4.14Å; L56-W75 HydrophobicContact CG-CB 4.2Å; L56-W75 HydrophobicContact CG-CD2 4.22Å; L56-W75 HydrophobicContact CG-CG 3.98Å; L71-W75 WeakPolarHBondContact O-CB 3.46Å; L71-W75 PolarHBondContact O-N 3.4Å; F72-W75 HydrophobicContact CD2-CE3 4.04Å; F72-W75 HydrophobicContact CD2-CZ3 4.36Å; F72-W75 HydrophobicContact CE2-CE3 4.04Å; F72-W75 AromaticContact CE2-CZ3 3.94Å; F72-W75 HydrophobicContact CE2-CZ3 3.94Å; F72-W75 PolarHBondContact O-N 3.4Å; W75-E78 PolarHBondContact O-N 3.37Å; W75-N79 PolarHBondContact NE1-ND2 3.48Å; W75-N79 PolarHBondContact O-N 3.01Å; W75-N79 VanDerWaalsContact O-N 3.08Å; W75-N79 PolarHBondContact O-ND2 3.16Å; W75-H81 AromaticContact CE2-ND1 3.97Å; W75-H81 AromaticContact CE3-ND1 3.99Å; W75-H81 AromaticContact CH2-CE1 3.53Å; W75-H81 AromaticContact CH2-ND1 3.01Å; W75-H81 WeakPolarHBondContact CH2-ND1 3.32Å; W75-H81 AromaticContact CZ2-CE1 3.45Å; W75-H81 VanDerWaalsContact CZ2-CE1 3.45Å; W75-H81 WeakPolarHBondContact CZ2-CE1 3.36Å; W75-H81 AromaticContact CZ2-ND1 3.34Å; W75-H81 VanDerWaalsContact CZ2-ND1 3.34Å; W75-H81 WeakPolarHBondContact CZ2-ND1 3.38Å; W75-H81 AromaticContact CZ3-ND1 3.36Å; W75-H81 WeakPolarHBondContact CZ3-ND1 3.47Å; W75-F83 HydrophobicContact CH2-CD2 4.49Å; W75-F83 AromaticContact CH2-CE2 3.64Å; W75-F83 HydrophobicContact CH2-CE2 3.64Å; W75-F83 HydrophobicContact CH2-CZ 4.28Å; W75-F83 AromaticContact CZ3-CD2 3.84Å; W75-F83 HydrophobicContact CZ3-CD2 3.84Å; W75-F83 AromaticContact CZ3-CE2 3.43Å; W75-F83 HydrophobicContact CZ3-CE2 3.43Å; W75-F83 VanDerWaalsContact CZ3-CE2 3.43Å; W75-F83 HydrophobicContact CZ3-CZ 4.35Å; W75-L155 HydrophobicContact CH2-CD1 4.03Å; W75-L155 HydrophobicContact CZ2-CD1 4.25Å; W75-A157 HydrophobicContact CH2-CB 4.27Å; W75-A157 HydrophobicContact CZ2-CB 3.84Å
76	K	91.3	Very high	92.8	Very high	12 Å²	12	51.9 Å²	51.9	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-41.1	174.2	-76.3	-172	-59.3	169.2	0	112.5	F72 E73 R74 Y80 H81 F83 Y169	F72-K76 HydrophobicContact CD1-CD 4.12Å; F72-K76 HydrophobicContact CD2-CG 4.3Å; F72-K76 HydrophobicContact CE1-CD 3.6Å; F72-K76 HydrophobicContact CE1-CG 4.32Å; F72-K76 HydrophobicContact CE2-CD 4.1Å; F72-K76 HydrophobicContact CE2-CG 3.99Å; F72-K76 HydrophobicContact CZ-CD 3.61Å; F72-K76 HydrophobicContact CZ-CG 4.03Å; F72-K76 WeakPolarHBondContact O-CB 3.19Å; F72-K76 VanDerWaalsContact O-CG 3.31Å; F72-K76 WeakPolarHBondContact O-CG 3.17Å; F72-K76 PolarHBondContact O-N 3.15Å; E73-K76 PolarHBondContact O-N 3.1Å; E73-K76 WeakPolarHBondContact OE1-CE 3.37Å; E73-K76 IonicContact OE1-NZ 3.85Å; E73-K76 PolarHBondContact OE1-NZ 3.34Å; E73-K76 WeakPolarHBondContact OE2-CE 3.36Å; E73-K76 IonicContact OE2-NZ 3.35Å; E73-K76 PolarHBondContact OE2-NZ 3.41Å; R74-K76 VanDerWaalsContact C-N 3.33Å; R74-K76 PolarHBondContact O-N 3.43Å; K76-Y80 CarbonylContact O-C 3.57Å; K76-Y80 VanDerWaalsContact O-CA 3.29Å; K76-Y80 WeakPolarHBondContact O-CA 3.43Å; K76-Y80 PolarHBondContact O-N 3.42Å; K76-H81 HydrophobicContact CG-CB 4.44Å; K76-H81 PolarHBondContact O-N 3.43Å; K76-F83 HydrophobicContact CD-CB 3.88Å; K76-F83 HydrophobicContact CD-CD2 4.37Å; K76-F83 HydrophobicContact CG-CD2 4.19Å; K76-Y169 HydrophobicContact CB-CE2 4.15Å
77	A	89.5	Confident	92.8	Very high	45 Å²	45	50.8 Å²	50.8	37%	0.372	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-38.5	178.9	0	0	0	0	0	112.3	E73 R74 Y80 Y169	E73-A77 WeakPolarHBondContact O-CB 3.49Å; E73-A77 PolarHBondContact O-N 3.13Å; R74-A77 PolarHBondContact O-N 3.48Å; R74-A77 VanDerWaalsContact O-N 3.16Å; A77-Y80 WeakPolarHBondContact O-CD1 3.28Å; A77-Y80 WeakPolarHBondContact O-CE1 3.29Å; A77-Y169 HydrophobicContact CB-CE1 4.21Å; A77-Y169 PolarHBondContact N-OH 3.02Å
78	E	89.8	Confident	92.9	Very high	98 Å²	98	49.7 Å²	49.7	46%	0.458	26%	0.256	S	S	.	.	H	α-helix	trans	-69.2	-36.3	177.8	-73.1	178.9	-174	0	0	113	R74 W75	R74-E78 HydrophobicContact CG-CG 4.49Å; R74-E78 WeakPolarHBondContact O-CG 3.47Å; R74-E78 PolarHBondContact O-N 2.86Å; W75-E78 PolarHBondContact O-N 3.37Å
79	N	88.9	Confident	92.9	Very high	63 Å²	63	53.1 Å²	53.1	34%	0.337	27%	0.272	S	S	.	.	H	α-helix	trans	-102	2.1	-177.2	-59.7	-86.3	0	0	0	113.4	W75 H81	W75-N79 PolarHBondContact NE1-ND2 3.48Å; W75-N79 PolarHBondContact O-N 3.01Å; W75-N79 VanDerWaalsContact O-N 3.08Å; W75-N79 PolarHBondContact O-ND2 3.16Å; N79-H81 VanDerWaalsContact C-N 3.26Å; N79-H81 WeakPolarHBondContact CB-NE2 3.26Å; N79-H81 PolarHBondContact O-CD2 3.05Å; N79-H81 PolarHBondContact O-N 3.23Å
80	Y	91.1	Very high	92.9	Very high	96 Å²	96	52.2 Å²	52.2	38%	0.376	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	36.4	-178.4	-47.7	-58	0	0	0	113.8	K76 A77 P82 P166 Y169	K76-Y80 CarbonylContact O-C 3.57Å; K76-Y80 VanDerWaalsContact O-CA 3.29Å; K76-Y80 WeakPolarHBondContact O-CA 3.43Å; K76-Y80 PolarHBondContact O-N 3.42Å; A77-Y80 WeakPolarHBondContact O-CD1 3.28Å; A77-Y80 WeakPolarHBondContact O-CE1 3.29Å; Y80-P82 VanDerWaalsContact O-CD 3.32Å; Y80-P82 WeakPolarHBondContact O-CD 3.49Å; Y80-P166 HydrophobicContact CD1-CB 3.91Å; Y80-P166 HydrophobicContact CE1-CB 3.63Å; Y80-P166 HydrophobicContact CE1-CG 4.49Å; Y80-P166 HydrophobicContact CE2-CB 4.47Å; Y80-P166 HydrophobicContact CG-CB 4.45Å; Y80-Y169 HydrophobicContact CD1-CD1 4.47Å; Y80-Y169 HydrophobicContact CD1-CG 4.48Å
81	H	90	Very high	92.9	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.056	25%	0.25	C	S	.	.			trans	-87.4	114.7	-174.7	-67.9	175.1	0	0	0	112.5	W75 K76 N79 F83 H159 Y169	W75-H81 AromaticContact CE2-ND1 3.97Å; W75-H81 AromaticContact CE3-ND1 3.99Å; W75-H81 AromaticContact CH2-CE1 3.53Å; W75-H81 AromaticContact CH2-ND1 3.01Å; W75-H81 WeakPolarHBondContact CH2-ND1 3.32Å; W75-H81 AromaticContact CZ2-CE1 3.45Å; W75-H81 VanDerWaalsContact CZ2-CE1 3.45Å; W75-H81 WeakPolarHBondContact CZ2-CE1 3.36Å; W75-H81 AromaticContact CZ2-ND1 3.34Å; W75-H81 VanDerWaalsContact CZ2-ND1 3.34Å; W75-H81 WeakPolarHBondContact CZ2-ND1 3.38Å; W75-H81 AromaticContact CZ3-ND1 3.36Å; W75-H81 WeakPolarHBondContact CZ3-ND1 3.47Å; K76-H81 HydrophobicContact CG-CB 4.44Å; K76-H81 PolarHBondContact O-N 3.43Å; N79-H81 VanDerWaalsContact C-N 3.26Å; N79-H81 WeakPolarHBondContact CB-NE2 3.26Å; N79-H81 PolarHBondContact O-CD2 3.05Å; N79-H81 PolarHBondContact O-N 3.23Å; H81-F83 VanDerWaalsContact C-N 3.25Å; H81-F83 HydrophobicContact CB-CD2 3.53Å; H81-F83 HydrophobicContact CB-CE2 3.56Å; H81-F83 AromaticContact CG-CE2 3.89Å; H81-F83 AromaticContact ND1-CE2 3.65Å; H81-F83 PolarHBondContact O-N 3.01Å; H81-H159 AromaticContact CD2-CD2 3.49Å; H81-H159 PolarHBondContact CD2-CD2 2.65Å; H81-H159 VanDerWaalsContact CD2-CD2 3.49Å; H81-H159 AromaticContact CD2-NE2 3.2Å; H81-H159 PolarHBondContact CD2-NE2 3.49Å; H81-H159 AromaticContact CE1-NE2 4Å; H81-H159 AromaticContact CG-NE2 3.39Å; H81-H159 AromaticContact ND1-NE2 3.9Å; H81-H159 AromaticContact NE2-CD2 3.56Å; H81-H159 AromaticContact NE2-NE2 3.64Å; H81-Y169 WeakPolarHBondContact O-CE2 3.46Å
82	P	90.3	Very high	92.9	Very high	11 Å²	11	54.6 Å²	54.6	7%	0.071	27%	0.271	C	S	.	.			trans	-83.7	62.7	-177.8	35.6	-36.5	0	0	0	111.6	Y80 A112 F172	Y80-P82 VanDerWaalsContact O-CD 3.32Å; Y80-P82 WeakPolarHBondContact O-CD 3.49Å; P82-A112 HydrophobicContact CB-CB 4.04Å; P82-A112 HydrophobicContact CG-CB 4.29Å; P82-A112 WeakPolarHBondContact O-CB 3.45Å; P82-A112 PolarHBondContact O-N 3.37Å; P82-F172 HydrophobicContact CB-CB 3.97Å; P82-F172 HydrophobicContact CB-CD1 4.41Å; P82-F172 HydrophobicContact CB-CD2 3.48Å; P82-F172 VanDerWaalsContact CB-CD2 3.48Å; P82-F172 HydrophobicContact CB-CE2 4.1Å; P82-F172 HydrophobicContact CB-CG 3.69Å; P82-F172 HydrophobicContact CG-CD2 4.24Å; P82-F172 HydrophobicContact CG-CE2 4.44Å
83	F	93.1	Very high	92.7	Very high	17 Å²	17	57.6 Å²	57.6	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.3	177.1	-78.9	-75.7	0	0	0	112.5	F72 W75 K76 H81 H110 A137	F72-F83 HydrophobicContact CE2-CD2 4.33Å; F72-F83 HydrophobicContact CZ-CB 3.79Å; F72-F83 HydrophobicContact CZ-CD2 4.27Å; F72-F83 HydrophobicContact CZ-CG 4.08Å; W75-F83 HydrophobicContact CH2-CD2 4.49Å; W75-F83 AromaticContact CH2-CE2 3.64Å; W75-F83 HydrophobicContact CH2-CE2 3.64Å; W75-F83 HydrophobicContact CH2-CZ 4.28Å; W75-F83 AromaticContact CZ3-CD2 3.84Å; W75-F83 HydrophobicContact CZ3-CD2 3.84Å; W75-F83 AromaticContact CZ3-CE2 3.43Å; W75-F83 HydrophobicContact CZ3-CE2 3.43Å; W75-F83 VanDerWaalsContact CZ3-CE2 3.43Å; W75-F83 HydrophobicContact CZ3-CZ 4.35Å; K76-F83 HydrophobicContact CD-CB 3.88Å; K76-F83 HydrophobicContact CD-CD2 4.37Å; K76-F83 HydrophobicContact CG-CD2 4.19Å; H81-F83 VanDerWaalsContact C-N 3.25Å; H81-F83 HydrophobicContact CB-CD2 3.53Å; H81-F83 HydrophobicContact CB-CE2 3.56Å; H81-F83 AromaticContact CG-CE2 3.89Å; H81-F83 AromaticContact ND1-CE2 3.65Å; H81-F83 PolarHBondContact O-N 3.01Å; F83-H110 WeakPolarHBondContact CA-O 3.35Å; F83-H110 VanDerWaalsContact CD1-C 3.45Å; F83-A137 HydrophobicContact CE1-CB 4.26Å; F83-A137 HydrophobicContact CZ-CB 3.97Å
84	R	92.4	Very high	92.6	Very high	113 Å²	113	61.4 Å²	61.4	43%	0.426	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.1	170.8	64.6	179.1	-178.5	91.7	-1.2	110.4	A86 Y109 H110	R84-A86 PolarHBondContact O-N 3.45Å; R84-Y109 CarbonylContact O-C 3.58Å; R84-Y109 VanDerWaalsContact O-CA 3.26Å; R84-Y109 WeakPolarHBondContact O-CA 3.31Å; R84-H110 PolarHBondContact N-O 3.39Å; R84-H110 PolarHBondContact O-N 2.97Å
85	V	95	Very high	92.6	Very high	61 Å²	61	60.4 Å²	60.4	37%	0.37	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127	172.8	-176.7	0	0	0	0	108.9	I107 Y109	V85-I107 HydrophobicContact CG1-CD1 4.26Å; V85-I107 HydrophobicContact CG1-CG1 4.23Å; V85-I107 HydrophobicContact CG2-CD1 4.16Å; V85-Y109 HydrophobicContact CG2-CD1 4.13Å; V85-Y109 HydrophobicContact CG2-CE1 3.63Å
86	A	94.5	Very high	92.4	Very high	41 Å²	41	61.1 Å²	61.1	34%	0.339	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-45.6	177.8	0	0	0	0	0	111.7	R84 V108 H110	R84-A86 PolarHBondContact O-N 3.45Å; A86-V108 HydrophobicContact CB-CG1 4.38Å; A86-V108 PolarHBondContact N-O 2.92Å; A86-H110 HydrophobicContact CB-CB 3.94Å; A86-H110 VanDerWaalsContact CB-CG 3.43Å; A86-H110 VanDerWaalsContact CB-ND1 3.27Å; A86-H110 WeakPolarHBondContact CB-ND1 3.39Å
87	S	95.6	Very high	92.5	Very high	49 Å²	49	63.9 Å²	63.9	34%	0.343	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149.4	176.3	57.8	0	0	0	0	110	V108	S87-V108 PolarHBondContact N-O 3.25Å; S87-V108 PolarHBondContact O-N 3.15Å; S87-V108 WeakPolarHBondContact OG-CB 3.15Å; S87-V108 WeakPolarHBondContact OG-CG2 3.12Å
88	S	96.6	Very high	92.7	Very high	55 Å²	55	65 Å²	65	39%	0.385	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	147.1	178.6	56.2	0	0	0	0	110.7	Y106	S88-Y106 WeakPolarHBondContact CA-O 3.33Å
89	E	95.9	Very high	92.9	Very high	71 Å²	71	61.3 Å²	61.3	33%	0.332	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.9	168.6	-176.2	-178.4	177.2	0	0	108.1	Y104 R105 Y106	E89-Y104 CarbonylContact O-C 3.58Å; E89-Y104 VanDerWaalsContact O-CA 3.25Å; E89-Y104 WeakPolarHBondContact O-CA 3.4Å; E89-R105 HydrophobicContact CB-CB 4.42Å; E89-R105 HydrophobicContact CG-CB 4.36Å; E89-R105 PolarHBondContact O-N 2.88Å; E89-R105 IonicContact OE1-NH1 3.84Å; E89-R105 PolarHBondContact OE1-NH1 2.84Å; E89-R105 VanDerWaalsContact OE1-NH1 3.1Å; E89-R105 IonicContact OE2-CZ 2.67Å; E89-R105 IonicContact OE2-NH1 3.57Å; E89-R105 PolarHBondContact OE2-NH1 3.48Å; E89-Y106 HydrophobicContact CB-CD1 3.64Å; E89-Y106 HydrophobicContact CB-CE1 3.27Å; E89-Y106 HydrophobicContact CB-CE2 4.27Å; E89-Y106 HydrophobicContact CB-CG 4.29Å; E89-Y106 HydrophobicContact CG-CE1 4.22Å; E89-Y106 PolarHBondContact N-O 3.47Å; E89-Y106 PolarHBondContact O-N 3.38Å; E89-Y106 WeakPolarHBondContact OE2-CD1 3.4Å; E89-Y106 WeakPolarHBondContact OE2-CE1 3.46Å
90	T	96.1	Very high	93.1	Very high	52 Å²	52	63.1 Å²	63.1	32%	0.319	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.7	179.6	52.7	0	0	0	0	111.4	R92 V98 K103 Y104	T90-R92 PolarHBondContact O-N 3.28Å; T90-V98 HydrophobicContact CG2-CG2 4.44Å; T90-K103 VanDerWaalsContact CA-O 3.3Å; T90-K103 WeakPolarHBondContact CA-O 3.49Å; T90-Y104 HydrophobicContact CG2-CD1 4.42Å; T90-Y104 HydrophobicContact CG2-CE1 4.45Å
91	L	94.4	Very high	93.3	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.026	36%	0.356	C	S	.	.			trans	-79.9	115.1	173.1	-172.7	64.2	0	0	0	108	V98 D99 F102 K103 R105 Y143 W145	L91-V98 WeakPolarHBondContact O-CA 3.42Å; L91-D99 HydrophobicContact CB-CB 4.07Å; L91-D99 HydrophobicContact CD2-CB 3.81Å; L91-D99 HydrophobicContact CG-CB 4Å; L91-D99 PolarHBondContact O-N 3.06Å; L91-F102 HydrophobicContact CD2-CB 3.81Å; L91-F102 HydrophobicContact CD2-CD2 4.18Å; L91-F102 HydrophobicContact CD2-CG 4.36Å; L91-K103 PolarHBondContact N-O 3.24Å; L91-R105 HydrophobicContact CD1-CB 4.14Å; L91-R105 HydrophobicContact CD1-CG 4.49Å; L91-Y143 HydrophobicContact CD1-CD1 3.84Å; L91-Y143 HydrophobicContact CD1-CE1 4.17Å; L91-Y143 HydrophobicContact CD1-CG 4.42Å; L91-Y143 HydrophobicContact CD2-CD1 3.94Å; L91-Y143 HydrophobicContact CD2-CD2 4.12Å; L91-Y143 HydrophobicContact CD2-CE1 3.89Å; L91-Y143 HydrophobicContact CD2-CE2 4.12Å; L91-Y143 HydrophobicContact CD2-CG 4.03Å; L91-W145 HydrophobicContact CD1-CH2 3.54Å; L91-W145 HydrophobicContact CD1-CZ2 3.38Å; L91-W145 HydrophobicContact CG-CH2 4.49Å
92	R	93.9	Very high	93.5	Very high	134 Å²	134	61.8 Å²	61.8	51%	0.506	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-101.7	130.7	178.6	-63	-175	-176.1	-170.1	-3.3	111	T90 T97	T90-R92 PolarHBondContact O-N 3.28Å; R92-T97 CarbonylContact C-O 3.45Å; R92-T97 VanDerWaalsContact CA-O 3.25Å; R92-T97 WeakPolarHBondContact CA-O 3.46Å
93	L	91.2	Very high	93.8	Very high	63 Å²	63	65.3 Å²	65.3	33%	0.33	37%	0.37	S	S	.	.			trans	-72.5	167.3	171.2	-72.4	172.8	0	0	0	110.4	D95 G96 T97 D99	L93-D95 WeakPolarHBondContact CB-OD1 3.47Å; L93-D95 PolarHBondContact O-N 2.9Å; L93-G96 WeakPolarHBondContact O-CA 3.49Å; L93-G96 PolarHBondContact O-N 3.48Å; L93-T97 PolarHBondContact N-O 3.29Å; L93-D99 HydrophobicContact CG-CB 4.27Å
94	P	90.8	Very high	93.9	Very high	141 Å²	141	67.2 Å²	67.2	92%	0.916	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.6	-179.4	-25.4	35.5	0	0	0	114.5	G96	P94-G96 PolarHBondContact O-N 2.78Å
95	D	90.7	Very high	94.1	Very high	108 Å²	108	65 Å²	65	58%	0.578	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.2	173.5	65.3	-11.8	0	0	0	113.3	L93 T97	L93-D95 WeakPolarHBondContact CB-OD1 3.47Å; L93-D95 PolarHBondContact O-N 2.9Å; D95-T97 VanDerWaalsContact C-N 3.31Å; D95-T97 PolarHBondContact OD1-N 3.44Å; D95-T97 PolarHBondContact OD1-OG1 2.91Å; D95-T97 WeakPolarHBondContact OD2-CG2 2.96Å; D95-T97 PolarHBondContact OD2-OG1 3.42Å
96	G	90.5	Very high	94.2	Very high	37 Å²	37	65.2 Å²	65.2	38%	0.381	36%	0.363	S	S	.	.	S	Bend	trans	83.9	-2.6	-177.3	0	0	0	0	0	114.6	L93 P94	L93-G96 WeakPolarHBondContact O-CA 3.49Å; L93-G96 PolarHBondContact O-N 3.48Å; P94-G96 PolarHBondContact O-N 2.78Å
97	T	93.3	Very high	94.3	Very high	70 Å²	70	63.2 Å²	63.2	43%	0.429	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-75.9	159.8	176.7	68.7	0	0	0	0	110.9	R92 L93 D95	R92-T97 CarbonylContact C-O 3.45Å; R92-T97 VanDerWaalsContact CA-O 3.25Å; R92-T97 WeakPolarHBondContact CA-O 3.46Å; L93-T97 PolarHBondContact N-O 3.29Å; D95-T97 VanDerWaalsContact C-N 3.31Å; D95-T97 PolarHBondContact OD1-N 3.44Å; D95-T97 PolarHBondContact OD1-OG1 2.91Å; D95-T97 WeakPolarHBondContact OD2-CG2 2.96Å; D95-T97 PolarHBondContact OD2-OG1 3.42Å
98	V	93.5	Very high	94.4	Very high	69 Å²	69	61.5 Å²	61.5	42%	0.418	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-80.9	131.7	176.7	177.5	0	0	0	0	108.8	T90 L91 P100 K103	T90-V98 HydrophobicContact CG2-CG2 4.44Å; L91-V98 WeakPolarHBondContact O-CA 3.42Å; V98-P100 WeakPolarHBondContact O-CD 3.23Å; V98-K103 WeakPolarHBondContact CG1-O 3.48Å
99	D	93.3	Very high	94.4	Very high	20 Å²	20	59.5 Å²	59.5	11%	0.107	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-57.9	119.2	175.9	-173.2	-61.4	0	0	0	110.2	L91 L93 V101 F102 K103	L91-D99 HydrophobicContact CB-CB 4.07Å; L91-D99 HydrophobicContact CD2-CB 3.81Å; L91-D99 HydrophobicContact CG-CB 4Å; L91-D99 PolarHBondContact O-N 3.06Å; L93-D99 HydrophobicContact CG-CB 4.27Å; D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.3Å; D99-V101 WeakPolarHBondContact OD1-CA 3.39Å; D99-V101 WeakPolarHBondContact OD1-CB 3.26Å; D99-V101 PolarHBondContact OD1-N 3.17Å; D99-F102 PolarHBondContact OD1-N 3.16Å; D99-K103 WeakPolarHBondContact O-CA 3.3Å; D99-K103 PolarHBondContact O-N 3.07Å
100	P	93.5	Very high	94.4	Very high	101 Å²	101	57.8 Å²	57.8	66%	0.656	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.3	-174.6	27.8	-34.3	0	0	0	113.2	V98	V98-P100 WeakPolarHBondContact O-CD 3.23Å
101	V	95.1	Very high	94.3	Very high	70 Å²	70	55.3 Å²	55.3	42%	0.424	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-52.5	-175.9	-180	0	0	0	0	110.4	S63 F65 D99	S63-V101 WeakPolarHBondContact O-CG1 3.47Å; F65-V101 WeakPolarHBondContact CB-O 3.36Å; F65-V101 PolarHBondContact N-O 3.28Å; D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.3Å; D99-V101 WeakPolarHBondContact OD1-CA 3.39Å; D99-V101 WeakPolarHBondContact OD1-CB 3.26Å; D99-V101 PolarHBondContact OD1-N 3.17Å
102	F	95.3	Very high	94.1	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.039	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-27.5	-175	-63.4	-67.1	0	0	0	113.6	S63 F65 L91 D99 Y104 Y143 N148 L150	S63-F102 WeakPolarHBondContact O-CE1 3.35Å; S63-F102 WeakPolarHBondContact O-CZ 3.32Å; F65-F102 WeakPolarHBondContact CB-O 3.4Å; L91-F102 HydrophobicContact CD2-CB 3.81Å; L91-F102 HydrophobicContact CD2-CD2 4.18Å; L91-F102 HydrophobicContact CD2-CG 4.36Å; D99-F102 PolarHBondContact OD1-N 3.16Å; F102-Y104 PolarHBondContact O-N 2.91Å; F102-Y143 HydrophobicContact CB-CD2 4.18Å; F102-Y143 HydrophobicContact CB-CE2 4.4Å; F102-Y143 AromaticContact CD1-CD2 3.97Å; F102-Y143 HydrophobicContact CD1-CD2 3.97Å; F102-Y143 AromaticContact CD1-CE2 3.97Å; F102-Y143 HydrophobicContact CD1-CE2 3.97Å; F102-Y143 HydrophobicContact CD2-CD2 4.05Å; F102-Y143 AromaticContact CD2-CE2 3.42Å; F102-Y143 HydrophobicContact CD2-CE2 3.42Å; F102-Y143 VanDerWaalsContact CD2-CE2 3.42Å; F102-Y143 HydrophobicContact CE1-CD2 4.36Å; F102-Y143 HydrophobicContact CE1-CE2 4.05Å; F102-Y143 HydrophobicContact CE2-CD2 4.46Å; F102-Y143 AromaticContact CE2-CE2 3.54Å; F102-Y143 HydrophobicContact CE2-CE2 3.54Å; F102-Y143 AromaticContact CG-CD2 3.78Å; F102-Y143 HydrophobicContact CG-CD2 3.78Å; F102-Y143 AromaticContact CG-CE2 3.65Å; F102-Y143 HydrophobicContact CG-CE2 3.65Å; F102-Y143 AromaticContact CZ-CE2 3.85Å; F102-Y143 HydrophobicContact CZ-CE2 3.85Å; F102-N148 WeakPolarHBondContact CE2-OD1 3.42Å; F102-N148 WeakPolarHBondContact CZ-O 3.4Å; F102-L150 HydrophobicContact CB-CD1 4.42Å; F102-L150 HydrophobicContact CB-CG 4.49Å; F102-L150 HydrophobicContact CD1-CD1 3.9Å; F102-L150 HydrophobicContact CD1-CG 3.73Å
103	K	95	Very high	94	Very high	86 Å²	86	50.3 Å²	50.3	37%	0.374	28%	0.278	S	S	.	.			trans	60.1	-41.5	-178.8	-57.4	-176.4	-177.4	174.6	0	116.1	F65 T90 L91 V98 D99	F65-K103 HydrophobicContact CB-CD 4.41Å; F65-K103 HydrophobicContact CB-CG 4.38Å; F65-K103 HydrophobicContact CD1-CD 3.77Å; F65-K103 HydrophobicContact CE1-CD 4.39Å; F65-K103 HydrophobicContact CG-CB 4.5Å; F65-K103 HydrophobicContact CG-CD 4.24Å; T90-K103 VanDerWaalsContact CA-O 3.3Å; T90-K103 WeakPolarHBondContact CA-O 3.49Å; L91-K103 PolarHBondContact N-O 3.24Å; V98-K103 WeakPolarHBondContact CG1-O 3.48Å; D99-K103 WeakPolarHBondContact O-CA 3.3Å; D99-K103 PolarHBondContact O-N 3.07Å
104	Y	96.1	Very high	94	Very high	57 Å²	57	50.8 Å²	50.8	22%	0.224	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.8	-171.6	-60.3	-77.2	0	0	0	111.5	F65 E89 T90 F102 I107	F65-Y104 HydrophobicContact CD1-CE2 4.5Å; F65-Y104 AromaticContact CD2-CD2 3.7Å; F65-Y104 HydrophobicContact CD2-CD2 3.7Å; F65-Y104 HydrophobicContact CD2-CE2 4.1Å; F65-Y104 HydrophobicContact CE1-CE2 4.04Å; F65-Y104 AromaticContact CE2-CD2 3.5Å; F65-Y104 HydrophobicContact CE2-CD2 3.5Å; F65-Y104 AromaticContact CE2-CE2 3.61Å; F65-Y104 HydrophobicContact CE2-CE2 3.61Å; F65-Y104 HydrophobicContact CG-CD2 4.33Å; F65-Y104 AromaticContact CZ-CD2 3.99Å; F65-Y104 HydrophobicContact CZ-CD2 3.99Å; F65-Y104 AromaticContact CZ-CE2 3.57Å; F65-Y104 HydrophobicContact CZ-CE2 3.57Å; E89-Y104 CarbonylContact O-C 3.58Å; E89-Y104 VanDerWaalsContact O-CA 3.25Å; E89-Y104 WeakPolarHBondContact O-CA 3.4Å; T90-Y104 HydrophobicContact CG2-CD1 4.42Å; T90-Y104 HydrophobicContact CG2-CE1 4.45Å; F102-Y104 PolarHBondContact O-N 2.91Å; Y104-I107 HydrophobicContact CD1-CD1 4.48Å; Y104-I107 HydrophobicContact CD2-CD1 4.15Å; Y104-I107 HydrophobicContact CE1-CD1 4.29Å; Y104-I107 HydrophobicContact CE2-CD1 3.96Å; Y104-I107 HydrophobicContact CG-CB 4.25Å; Y104-I107 HydrophobicContact CG-CD1 4.4Å
105	R	95.9	Very high	94	Very high	65 Å²	65	45.3 Å²	45.3	25%	0.245	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-41.6	164.7	-178.6	-177.2	175.9	-165.4	1.1	110	E89 L91 Y143 D249	E89-R105 HydrophobicContact CB-CB 4.42Å; E89-R105 HydrophobicContact CG-CB 4.36Å; E89-R105 PolarHBondContact O-N 2.88Å; E89-R105 IonicContact OE1-NH1 3.84Å; E89-R105 PolarHBondContact OE1-NH1 2.84Å; E89-R105 VanDerWaalsContact OE1-NH1 3.1Å; E89-R105 IonicContact OE2-CZ 2.67Å; E89-R105 IonicContact OE2-NH1 3.57Å; E89-R105 PolarHBondContact OE2-NH1 3.48Å; L91-R105 HydrophobicContact CD1-CB 4.14Å; L91-R105 HydrophobicContact CD1-CG 4.49Å; R105-Y143 WeakPolarHBondContact O-CB 3.4Å; R105-Y143 PolarHBondContact O-N 2.86Å; R105-D249 IonicContact NH2-OD2 2.68Å
106	Y	97.1	Very high	93.7	Very high	66 Å²	66	43.8 Å²	43.8	26%	0.259	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.8	166.4	70.5	-103.4	0	0	0	110.5	S88 E89 V108 L141 N142	S88-Y106 WeakPolarHBondContact CA-O 3.33Å; E89-Y106 HydrophobicContact CB-CD1 3.64Å; E89-Y106 HydrophobicContact CB-CE1 3.27Å; E89-Y106 HydrophobicContact CB-CE2 4.27Å; E89-Y106 HydrophobicContact CB-CG 4.29Å; E89-Y106 HydrophobicContact CG-CE1 4.22Å; E89-Y106 PolarHBondContact N-O 3.47Å; E89-Y106 PolarHBondContact O-N 3.38Å; E89-Y106 WeakPolarHBondContact OE2-CD1 3.4Å; E89-Y106 WeakPolarHBondContact OE2-CE1 3.46Å; Y106-V108 HydrophobicContact CD2-CG2 4.26Å; Y106-L141 VanDerWaalsContact CA-O 3.23Å; Y106-L141 WeakPolarHBondContact CA-O 3.3Å; Y106-L141 WeakPolarHBondContact CB-O 3.23Å; Y106-N142 WeakPolarHBondContact CB-OD1 3.47Å
107	I	97.8	Very high	93.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.7	169.6	-173.2	161.8	0	0	0	109.9	F65 V85 Y104 Y109 L141	F65-I107 HydrophobicContact CE2-CD1 4.4Å; F65-I107 HydrophobicContact CE2-CG2 4.44Å; V85-I107 HydrophobicContact CG1-CD1 4.26Å; V85-I107 HydrophobicContact CG1-CG1 4.23Å; V85-I107 HydrophobicContact CG2-CD1 4.16Å; Y104-I107 HydrophobicContact CD1-CD1 4.48Å; Y104-I107 HydrophobicContact CD2-CD1 4.15Å; Y104-I107 HydrophobicContact CE1-CD1 4.29Å; Y104-I107 HydrophobicContact CE2-CD1 3.96Å; Y104-I107 HydrophobicContact CG-CB 4.25Å; Y104-I107 HydrophobicContact CG-CD1 4.4Å; I107-Y109 HydrophobicContact CB-CE2 4.39Å; I107-Y109 HydrophobicContact CD1-CE1 4.49Å; I107-Y109 HydrophobicContact CD1-CE2 3.82Å; I107-Y109 WeakPolarHBondContact CD1-OH 3.48Å; I107-Y109 HydrophobicContact CG1-CD2 4.24Å; I107-Y109 HydrophobicContact CG1-CE2 3.67Å; I107-Y109 HydrophobicContact CG2-CE2 3.89Å; I107-L141 HydrophobicContact CG2-CB 3.76Å; I107-L141 PolarHBondContact N-O 3.47Å; I107-L141 PolarHBondContact O-N 3.43Å
108	V	97.3	Very high	92.7	Very high	12 Å²	12	50.9 Å²	50.9	7%	0.073	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.1	179.5	-173.2	0	0	0	0	108.6	A86 S87 Y106 H110 M138 L139 R140	A86-V108 HydrophobicContact CB-CG1 4.38Å; A86-V108 PolarHBondContact N-O 2.92Å; S87-V108 PolarHBondContact N-O 3.25Å; S87-V108 PolarHBondContact O-N 3.15Å; S87-V108 WeakPolarHBondContact OG-CB 3.15Å; S87-V108 WeakPolarHBondContact OG-CG2 3.12Å; Y106-V108 HydrophobicContact CD2-CG2 4.26Å; V108-H110 WeakPolarHBondContact CG1-NE2 3.34Å; V108-M138 HydrophobicContact CG1-CE 4.22Å; V108-L139 CarbonylContact C-O 3.52Å; V108-L139 WeakPolarHBondContact CA-O 3.18Å; V108-R140 HydrophobicContact CG2-CB 4.41Å; V108-R140 HydrophobicContact CG2-CG 3.97Å
109	Y	97	Very high	91.7	Very high	14 Å²	14	54 Å²	54	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.6	173.3	-66.6	-92.8	0	0	0	109.5	F68 F72 R84 V85 I107 M138 L139	F68-Y109 AromaticContact CE1-CE2 3.88Å; F68-Y109 HydrophobicContact CE1-CE2 3.88Å; F68-Y109 HydrophobicContact CZ-CE2 4.03Å; F72-Y109 HydrophobicContact CD1-CE1 4.4Å; F72-Y109 AromaticContact CE1-CD1 3.65Å; F72-Y109 HydrophobicContact CE1-CD1 3.65Å; F72-Y109 HydrophobicContact CE1-CD2 4.31Å; F72-Y109 AromaticContact CE1-CE1 3.53Å; F72-Y109 HydrophobicContact CE1-CE1 3.53Å; F72-Y109 HydrophobicContact CE1-CE2 4.2Å; F72-Y109 HydrophobicContact CE1-CG 4.03Å; F72-Y109 AromaticContact CE1-CZ 3.82Å; F72-Y109 AromaticContact CZ-CD1 3.79Å; F72-Y109 HydrophobicContact CZ-CD1 3.79Å; F72-Y109 HydrophobicContact CZ-CD2 4.2Å; F72-Y109 HydrophobicContact CZ-CE1 4.16Å; F72-Y109 AromaticContact CZ-CG 3.8Å; F72-Y109 HydrophobicContact CZ-CG 3.8Å; R84-Y109 CarbonylContact O-C 3.58Å; R84-Y109 VanDerWaalsContact O-CA 3.26Å; R84-Y109 WeakPolarHBondContact O-CA 3.31Å; V85-Y109 HydrophobicContact CG2-CD1 4.13Å; V85-Y109 HydrophobicContact CG2-CE1 3.63Å; I107-Y109 HydrophobicContact CB-CE2 4.39Å; I107-Y109 HydrophobicContact CD1-CE1 4.49Å; I107-Y109 HydrophobicContact CD1-CE2 3.82Å; I107-Y109 WeakPolarHBondContact CD1-OH 3.48Å; I107-Y109 HydrophobicContact CG1-CD2 4.24Å; I107-Y109 HydrophobicContact CG1-CE2 3.67Å; I107-Y109 HydrophobicContact CG2-CE2 3.89Å; Y109-M138 CarbonylContact O-C 3.59Å; Y109-M138 VanDerWaalsContact O-CA 3.24Å; Y109-M138 WeakPolarHBondContact O-CA 3.42Å; Y109-L139 HydrophobicContact CD2-CD2 3.66Å; Y109-L139 HydrophobicContact CE2-CD2 4.35Å; Y109-L139 HydrophobicContact CG-CD2 4.46Å; Y109-L139 PolarHBondContact N-O 3.41Å; Y109-L139 PolarHBondContact O-N 3.33Å
110	H	94.7	Very high	90.8	Very high	34 Å²	34	63.1 Å²	63.1	16%	0.157	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.1	171.4	-70.1	171.2	0	0	0	109.3	F83 R84 A86 V108 Y114	F83-H110 WeakPolarHBondContact CA-O 3.35Å; F83-H110 VanDerWaalsContact CD1-C 3.45Å; R84-H110 PolarHBondContact N-O 3.39Å; R84-H110 PolarHBondContact O-N 2.97Å; A86-H110 HydrophobicContact CB-CB 3.94Å; A86-H110 VanDerWaalsContact CB-CG 3.43Å; A86-H110 VanDerWaalsContact CB-ND1 3.27Å; A86-H110 WeakPolarHBondContact CB-ND1 3.39Å; V108-H110 WeakPolarHBondContact CG1-NE2 3.34Å; H110-Y114 HydrophobicContact CB-CD1 4.09Å; H110-Y114 HydrophobicContact CB-CD2 3.95Å; H110-Y114 HydrophobicContact CB-CG 3.62Å; H110-Y114 AromaticContact CE1-CD1 3.9Å; H110-Y114 AromaticContact CE1-CE1 3.51Å; H110-Y114 AromaticContact CE1-CZ 3.82Å; H110-Y114 AromaticContact CG-CD1 3.74Å; H110-Y114 AromaticContact CG-CD2 3.88Å; H110-Y114 AromaticContact CG-CG 3.67Å; H110-Y114 AromaticContact ND1-CD1 3.31Å; H110-Y114 VanDerWaalsContact ND1-CD1 3.31Å; H110-Y114 WeakPolarHBondContact ND1-CD1 3.5Å; H110-Y114 AromaticContact ND1-CE1 3.44Å; H110-Y114 WeakPolarHBondContact ND1-CE1 3.5Å; H110-Y114 AromaticContact ND1-CG 3.76Å; H110-Y114 AromaticContact ND1-CZ 3.98Å; H110-Y114 AromaticContact NE2-CZ 3.95Å
111	C	93.9	Very high	89.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	147.1	165.6	-178.6	0	0	0	0	110.6	H113 Y114 C135 A137 H159 H162	C111-H113 PolarHBondContact O-N 2.82Å; C111-H113 PolarHBondContact SG-N 3.43Å; C111-H113 VanDerWaalsContact SG-N 3.38Å; C111-Y114 WeakPolarHBondContact O-CB 3.01Å; C111-Y114 PolarHBondContact O-N 3.35Å; C111-C135 HydrophobicContact CB-CB 4.2Å; C111-C135 VanDerWaalsContact SG-SG 3.7Å; C111-A137 HydrophobicContact CB-CB 4.08Å; C111-A137 PolarHBondContact N-O 3.47Å; C111-H159 VanDerWaalsContact SG-CE1 3.54Å; C111-H159 PolarHBondContact SG-ND1 3.3Å; C111-H162 PolarHBondContact SG-NE2 3.01Å
112	A	91.2	Very high	88.7	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.033	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-39.1	170.4	0	0	0	0	0	111.6	P82 Y114 L131 F172	P82-A112 HydrophobicContact CB-CB 4.04Å; P82-A112 HydrophobicContact CG-CB 4.29Å; P82-A112 WeakPolarHBondContact O-CB 3.45Å; P82-A112 PolarHBondContact O-N 3.37Å; A112-Y114 VanDerWaalsContact C-N 3.31Å; A112-Y114 PolarHBondContact O-N 3.3Å; A112-L131 HydrophobicContact CB-CD1 4.42Å; A112-L131 HydrophobicContact CB-CD2 4.12Å; A112-L131 HydrophobicContact CB-CG 4.45Å; A112-L131 WeakPolarHBondContact O-CD2 3.48Å; A112-L131 WeakPolarHBondContact O-CG 3.3Å; A112-F172 HydrophobicContact CB-CD1 3.87Å; A112-F172 HydrophobicContact CB-CE1 3.59Å; A112-F172 HydrophobicContact CB-CZ 4.03Å
113	H	91	Very high	87.6	Confident	30 Å²	30	66.5 Å²	66.5	14%	0.139	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	12.3	179.5	-57.9	-77.7	0	0	0	114.7	C111 L131 P132 C133 C135 H162 F172	C111-H113 PolarHBondContact O-N 2.82Å; C111-H113 PolarHBondContact SG-N 3.43Å; C111-H113 VanDerWaalsContact SG-N 3.38Å; H113-L131 WeakPolarHBondContact CA-O 3.2Å; H113-L131 VanDerWaalsContact CE1-CD1 3.47Å; H113-L131 WeakPolarHBondContact CE1-CD1 3.39Å; H113-L131 PolarHBondContact ND1-O 2.85Å; H113-P132 WeakPolarHBondContact O-CA 3.42Å; H113-C133 VanDerWaalsContact CB-SG 3.59Å; H113-C133 PolarHBondContact O-N 2.83Å; H113-C135 HydrophobicContact CB-CB 3.96Å; H113-C135 WeakPolarHBondContact O-CB 3.44Å; H113-C135 PolarHBondContact O-N 3.48Å; H113-H162 AromaticContact CD2-CD2 3.69Å; H113-H162 AromaticContact CD2-CE1 3.74Å; H113-H162 AromaticContact CD2-CG 3.64Å; H113-H162 AromaticContact CD2-ND1 3.68Å; H113-H162 AromaticContact CD2-NE2 3.75Å; H113-H162 AromaticContact CG-CD2 3.79Å; H113-H162 AromaticContact CG-CG 3.98Å; H113-F172 AromaticContact CE1-CZ 3.83Å; H113-F172 AromaticContact NE2-CE2 3.56Å; H113-F172 AromaticContact NE2-CZ 3.4Å; H113-F172 WeakPolarHBondContact NE2-CZ 3.38Å
114	Y	91.3	Very high	86.3	Confident	74 Å²	74	72 Å²	72	29%	0.29	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-67.3	137.5	-174.2	-176.7	-85.1	0	0	0	113.6	H110 C111 A112 C135 M138	H110-Y114 HydrophobicContact CB-CD1 4.09Å; H110-Y114 HydrophobicContact CB-CD2 3.95Å; H110-Y114 HydrophobicContact CB-CG 3.62Å; H110-Y114 AromaticContact CE1-CD1 3.9Å; H110-Y114 AromaticContact CE1-CE1 3.51Å; H110-Y114 AromaticContact CE1-CZ 3.82Å; H110-Y114 AromaticContact CG-CD1 3.74Å; H110-Y114 AromaticContact CG-CD2 3.88Å; H110-Y114 AromaticContact CG-CG 3.67Å; H110-Y114 AromaticContact ND1-CD1 3.31Å; H110-Y114 VanDerWaalsContact ND1-CD1 3.31Å; H110-Y114 WeakPolarHBondContact ND1-CD1 3.5Å; H110-Y114 AromaticContact ND1-CE1 3.44Å; H110-Y114 WeakPolarHBondContact ND1-CE1 3.5Å; H110-Y114 AromaticContact ND1-CG 3.76Å; H110-Y114 AromaticContact ND1-CZ 3.98Å; H110-Y114 AromaticContact NE2-CZ 3.95Å; C111-Y114 WeakPolarHBondContact O-CB 3.01Å; C111-Y114 PolarHBondContact O-N 3.35Å; A112-Y114 VanDerWaalsContact C-N 3.31Å; A112-Y114 PolarHBondContact O-N 3.3Å; Y114-C135 VanDerWaalsContact CA-O 3.29Å; Y114-C135 WeakPolarHBondContact CA-O 3.5Å; Y114-C135 WeakPolarHBondContact CD2-O 3.27Å; Y114-M138 HydrophobicContact CE2-CB 4.1Å
115	G	89.9	Confident	84.9	Confident	25 Å²	25	79.1 Å²	79.1	26%	0.258	41%	0.405	S	S	.	.	S	Bend	trans	82.9	170.2	175.6	0	0	0	0	0	113.9	P132 G134 C135	G115-P132 VanDerWaalsContact O-CB 3.25Å; G115-P132 WeakPolarHBondContact O-CB 3.03Å; G115-G134 VanDerWaalsContact O-CA 3.31Å; G115-G134 WeakPolarHBondContact O-CA 3.29Å; G115-G134 PolarHBondContact O-N 2.84Å; G115-C135 PolarHBondContact N-O 2.74Å
116	A	85.2	Confident	83.5	Confident	77 Å²	77	88.7 Å²	88.7	64%	0.636	44%	0.441	S	S	*	.			trans	-70.5	145.3	-177.4	0	0	0	0	0	112.3	R118	A116-R118 PolarHBondContact O-N 2.94Å
117	P	83.9	Confident	81.9	Confident	60 Å²	60	91.6 Å²	91.6	39%	0.39	46%	0.461	S	S	.	.			trans	-54	125.1	170.7	-17.7	23.5	0	0	0	111.2	I119 Y130 P132	P117-I119 PolarHBondContact O-N 2.87Å; P117-I119 VanDerWaalsContact O-N 3.16Å; P117-Y130 HydrophobicContact CB-CG 4.34Å; P117-P132 VanDerWaalsContact CG-O 3.27Å; P117-P132 WeakPolarHBondContact CG-O 3.48Å
118	R	79.6	Confident	80.3	Confident	196 Å²	196	94.9 Å²	94.9	74%	0.74	48%	0.477	S	S	*	.			trans	-81.8	94	175.1	-69.3	-176.4	-178.5	173.7	-0.4	109.7	A116 R120 Y130	A116-R118 PolarHBondContact O-N 2.94Å; R118-R120 PolarHBondContact O-N 3.46Å; R118-Y130 WeakPolarHBondContact O-CE1 3.25Å; R118-Y130 PolarHBondContact O-OH 3.37Å
119	I	72.1	Confident	78.7	Confident	135 Å²	135	101.3 Å²	101.3	69%	0.692	51%	0.51	S	S	*	.			trans	-78.9	113.3	173.7	-55.7	172.4	0	0	0	108	P117	P117-I119 PolarHBondContact O-N 2.87Å; P117-I119 VanDerWaalsContact O-N 3.16Å
120	R	73.9	Confident	77.3	Confident	210 Å²	210	104.8 Å²	104.8	79%	0.792	52%	0.524	S	S	*	.			trans	-116.3	110	171	-70	-168.3	178.2	-160.8	-0.4	108.2	R118	R118-R120 PolarHBondContact O-N 3.46Å
121	G	73.7	Confident	76.5	Confident	57 Å²	57	106.6 Å²	106.6	59%	0.588	53%	0.534	S	S	*	.	S	Bend	trans	77.3	163.3	-179.5	0	0	0	0	0	114.3	G123	G121-G123 VanDerWaalsContact C-N 3.29Å
122	C	70.4	Confident	76.1	Confident	140 Å²	140	108.2 Å²	108.2	95%	0.946	55%	0.545	S	S	*	.	S	Bend	trans	-86	2	179.7	-53.1	0	0	0	0	113.3	K124	C122-K124 PolarHBondContact O-N 3.28Å
123	G	72.7	Confident	75.9	Confident	54 Å²	54	110.2 Å²	110.2	56%	0.557	56%	0.559	S	S	*	*			trans	-73.4	111.6	-175.2	0	0	0	0	0	111.8	G121 R125 Q128	G121-G123 VanDerWaalsContact C-N 3.29Å; G123-R125 PolarHBondContact O-N 3.03Å; G123-Q128 PolarHBondContact O-OE1 3Å
124	K	66.8	Low	75.8	Confident	203 Å²	203	110.4 Å²	110.4	88%	0.883	57%	0.568	S	S	*	*			trans	-74.3	109.8	168.2	-67.8	-179.6	-179.5	178.4	0	108.9	C122	C122-K124 PolarHBondContact O-N 3.28Å
125	R	68	Low	75.9	Confident	206 Å²	206	107 Å²	107	78%	0.777	56%	0.555	S	S	*	*			trans	-86.5	138.2	164.6	-69.3	-176.4	-179.6	171.6	0	108.3	G123 N127 Q128	G123-R125 PolarHBondContact O-N 3.03Å; R125-N127 PolarHBondContact O-N 3.47Å; R125-Q128 HydrophobicContact CB-CB 4.29Å; R125-Q128 WeakPolarHBondContact O-CB 3.46Å; R125-Q128 PolarHBondContact O-N 2.9Å
126	R	66.4	Low	76	Confident	265 Å²	265	112 Å²	112	100%	1	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-17.5	-179.9	65.2	-179.3	175.7	-149.5	-0.8	115.3
127	N	63.4	Low	76.4	Confident	127 Å²	127	108.4 Å²	108.4	68%	0.679	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	58.7	178.2	-172	5.3	0	0	0	110.5	R125 N129	R125-N127 PolarHBondContact O-N 3.47Å; N127-N129 PolarHBondContact O-N 2.95Å
128	Q	62.9	Low	77	Confident	70 Å²	70	107.5 Å²	107.5	33%	0.327	53%	0.533	S	S	.	.			trans	-96.2	69.9	-180	-165.9	168.4	23.2	0	0	110.2	G123 R125 Y130	G123-Q128 PolarHBondContact O-OE1 3Å; R125-Q128 HydrophobicContact CB-CB 4.29Å; R125-Q128 WeakPolarHBondContact O-CB 3.46Å; R125-Q128 PolarHBondContact O-N 2.9Å; Q128-Y130 HydrophobicContact CG-CD2 3.95Å; Q128-Y130 HydrophobicContact CG-CE2 3.41Å; Q128-Y130 VanDerWaalsContact CG-CE2 3.41Å; Q128-Y130 PolarHBondContact NE2-OH 2.9Å; Q128-Y130 PolarHBondContact O-N 3.27Å
129	N	65.2	Low	77.8	Confident	146 Å²	146	98.1 Å²	98.1	78%	0.781	50%	0.498	S	S	*	.			trans	-82	94.7	173.3	-73.1	-1.9	0	0	0	109.2	N127 L131	N127-N129 PolarHBondContact O-N 2.95Å; N129-L131 PolarHBondContact O-N 3.13Å
130	Y	66.5	Low	78.9	Confident	88 Å²	88	94.7 Å²	94.7	35%	0.345	48%	0.476	S	S	.	.			trans	-69.5	114.6	168.7	-73.4	-71	0	0	0	109.2	P117 R118 Q128	P117-Y130 HydrophobicContact CB-CG 4.34Å; R118-Y130 WeakPolarHBondContact O-CE1 3.25Å; R118-Y130 PolarHBondContact O-OH 3.37Å; Q128-Y130 HydrophobicContact CG-CD2 3.95Å; Q128-Y130 HydrophobicContact CG-CE2 3.41Å; Q128-Y130 VanDerWaalsContact CG-CE2 3.41Å; Q128-Y130 PolarHBondContact NE2-OH 2.9Å; Q128-Y130 PolarHBondContact O-N 3.27Å
131	L	79	Confident	80	Confident	71 Å²	71	84.7 Å²	84.7	37%	0.372	44%	0.438	S	S	.	.	S	Bend	trans	-65	-47.5	176.1	-175.1	70.6	0	0	0	111.8	A112 H113 N129 C133 F172	A112-L131 HydrophobicContact CB-CD1 4.42Å; A112-L131 HydrophobicContact CB-CD2 4.12Å; A112-L131 HydrophobicContact CB-CG 4.45Å; A112-L131 WeakPolarHBondContact O-CD2 3.48Å; A112-L131 WeakPolarHBondContact O-CG 3.3Å; H113-L131 WeakPolarHBondContact CA-O 3.2Å; H113-L131 VanDerWaalsContact CE1-CD1 3.47Å; H113-L131 WeakPolarHBondContact CE1-CD1 3.39Å; H113-L131 PolarHBondContact ND1-O 2.85Å; N129-L131 PolarHBondContact O-N 3.13Å; L131-C133 PolarHBondContact O-N 2.81Å; L131-F172 HydrophobicContact CD1-CE1 3.54Å; L131-F172 HydrophobicContact CD1-CZ 3.53Å; L131-F172 HydrophobicContact CD2-CE1 4.34Å
132	P	85.5	Confident	81.2	Confident	34 Å²	34	83.7 Å²	83.7	22%	0.221	42%	0.419	C	S	.	.			trans	-65.6	128.2	176.9	-20.3	34.7	0	0	0	111.8	H113 G115 P117	H113-P132 WeakPolarHBondContact O-CA 3.42Å; G115-P132 VanDerWaalsContact O-CB 3.25Å; G115-P132 WeakPolarHBondContact O-CB 3.03Å; P117-P132 VanDerWaalsContact CG-O 3.27Å; P117-P132 WeakPolarHBondContact CG-O 3.48Å
133	C	87.1	Confident	82.4	Confident	47 Å²	47	78.2 Å²	78.2	32%	0.318	38%	0.379	S	S	.	.			trans	-127.8	16.4	178.5	70.6	0	0	0	0	113.5	H113 L131 G161	H113-C133 VanDerWaalsContact CB-SG 3.59Å; H113-C133 PolarHBondContact O-N 2.83Å; L131-C133 PolarHBondContact O-N 2.81Å; C133-G161 VanDerWaalsContact SG-C 3.58Å; C133-G161 PolarHBondContact SG-O 3.18Å
134	G	88.2	Confident	83.5	Confident	33 Å²	33	76.6 Å²	76.6	34%	0.34	36%	0.359	S	S	.	.	S	Bend	trans	88.9	19.6	-178.1	0	0	0	0	0	114.1	G115 T160	G115-G134 VanDerWaalsContact O-CA 3.31Å; G115-G134 WeakPolarHBondContact O-CA 3.29Å; G115-G134 PolarHBondContact O-N 2.84Å; G134-T160 PolarHBondContact O-OG1 3.25Å
135	C	92.5	Very high	84.7	Confident	2 Å²	2	70 Å²	70	1%	0.014	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-65.6	137.7	175.4	-170.4	0	0	0	0	110.8	C111 H113 Y114 G115 H159 T160 H162	C111-C135 HydrophobicContact CB-CB 4.2Å; C111-C135 VanDerWaalsContact SG-SG 3.7Å; H113-C135 HydrophobicContact CB-CB 3.96Å; H113-C135 WeakPolarHBondContact O-CB 3.44Å; H113-C135 PolarHBondContact O-N 3.48Å; Y114-C135 VanDerWaalsContact CA-O 3.29Å; Y114-C135 WeakPolarHBondContact CA-O 3.5Å; Y114-C135 WeakPolarHBondContact CD2-O 3.27Å; G115-C135 PolarHBondContact N-O 2.74Å; C135-H159 PolarHBondContact SG-ND1 2.61Å; C135-T160 WeakPolarHBondContact CA-O 3.28Å; C135-T160 WeakPolarHBondContact CA-OG1 3.42Å; C135-T160 WeakPolarHBondContact CB-O 3.17Å; C135-H162 PolarHBondContact SG-NE2 3.34Å; C135-H162 VanDerWaalsContact SG-NE2 3.36Å
136	Q	93	Very high	85.9	Confident	132 Å²	132	65 Å²	65	62%	0.617	33%	0.325	S	S	*	.			trans	-104.6	-3	178.5	-65.5	-174.8	-20.5	0	0	113.5	M138 T160	Q136-M138 PolarHBondContact O-N 2.93Å; Q136-M138 VanDerWaalsContact O-N 3.15Å; Q136-T160 PolarHBondContact N-OG1 2.67Å
137	A	94.1	Very high	87.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.			trans	-61.2	120.7	-179.5	0	0	0	0	0	110.6	F83 C111 C156 H159	F83-A137 HydrophobicContact CE1-CB 4.26Å; F83-A137 HydrophobicContact CZ-CB 3.97Å; C111-A137 HydrophobicContact CB-CB 4.08Å; C111-A137 PolarHBondContact N-O 3.47Å; A137-C156 VanDerWaalsContact CA-O 3.29Å; A137-C156 WeakPolarHBondContact CA-O 3.42Å; A137-H159 VanDerWaalsContact CB-CE1 3.48Å; A137-H159 WeakPolarHBondContact CB-CE1 3.29Å
138	M	95.7	Very high	88.6	Confident	41 Å²	41	54.1 Å²	54.1	20%	0.202	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.6	-176.5	66.9	166.5	-67	0	0	111.7	V108 Y109 Y114 Q136 T154 C156	V108-M138 HydrophobicContact CG1-CE 4.22Å; Y109-M138 CarbonylContact O-C 3.59Å; Y109-M138 VanDerWaalsContact O-CA 3.24Å; Y109-M138 WeakPolarHBondContact O-CA 3.42Å; Y114-M138 HydrophobicContact CE2-CB 4.1Å; Q136-M138 PolarHBondContact O-N 2.93Å; Q136-M138 VanDerWaalsContact O-N 3.15Å; M138-T154 HydrophobicContact CE-CG2 4.08Å; M138-T154 HydrophobicContact CG-CG2 4.49Å; M138-T154 HydrophobicContact SD-CG2 4.4Å; M138-C156 HydrophobicContact CG-CB 4.19Å; M138-C156 PolarHBondContact N-O 2.79Å; M138-C156 VanDerWaalsContact N-O 3.12Å; M138-C156 PolarHBondContact O-N 2.84Å
139	L	96	Very high	90.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.4	178.1	176	151.3	0	0	0	109.4	L56 F68 F72 V108 Y109 L141 L152 T154 L155	L56-L139 HydrophobicContact CD1-CD1 4.04Å; F68-L139 HydrophobicContact CE2-CD2 4.29Å; F68-L139 HydrophobicContact CZ-CD2 3.91Å; F72-L139 HydrophobicContact CD2-CD1 4.1Å; F72-L139 HydrophobicContact CE2-CD1 3.82Å; F72-L139 HydrophobicContact CE2-CD2 4.46Å; V108-L139 CarbonylContact C-O 3.52Å; V108-L139 WeakPolarHBondContact CA-O 3.18Å; Y109-L139 HydrophobicContact CD2-CD2 3.66Å; Y109-L139 HydrophobicContact CE2-CD2 4.35Å; Y109-L139 HydrophobicContact CG-CD2 4.46Å; Y109-L139 PolarHBondContact N-O 3.41Å; Y109-L139 PolarHBondContact O-N 3.33Å; L139-L141 HydrophobicContact CD2-CD1 3.28Å; L139-L141 HydrophobicContact CG-CD1 4.3Å; L139-L152 HydrophobicContact CD1-CD1 3.82Å; L139-L152 HydrophobicContact CD1-CD2 4.39Å; L139-L152 HydrophobicContact CD2-CD1 4.02Å; L139-L152 HydrophobicContact CG-CD1 3.54Å; L139-T154 CarbonylContact C-O 3.54Å; L139-T154 VanDerWaalsContact CA-O 3.3Å; L139-T154 WeakPolarHBondContact CA-O 3.17Å; L139-L155 HydrophobicContact CB-CD1 4.46Å; L139-L155 HydrophobicContact CD1-CD1 3.68Å; L139-L155 HydrophobicContact CG-CD1 4.35Å
140	R	97	Very high	91.6	Very high	63 Å²	63	44.3 Å²	44.3	24%	0.238	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.6	178.6	-179.2	173.5	178.6	178.6	0.3	111.4	V108 N142 L152 T153 T154	V108-R140 HydrophobicContact CG2-CB 4.41Å; V108-R140 HydrophobicContact CG2-CG 3.97Å; R140-N142 WeakPolarHBondContact CG-ND2 3.42Å; R140-N142 PolarHBondContact NE-ND2 3.21Å; R140-N142 VanDerWaalsContact NE-ND2 3.18Å; R140-N142 PolarHBondContact NE-OD1 3.16Å; R140-N142 PolarHBondContact NH2-OD1 3.11Å; R140-L152 WeakPolarHBondContact O-CD1 3.25Å; R140-T153 PolarHBondContact O-N 3.24Å; R140-T153 PolarHBondContact O-OG1 2.94Å; R140-T154 PolarHBondContact N-O 2.8Å; R140-T154 PolarHBondContact O-N 3.07Å
141	L	96.7	Very high	93	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.4	167.9	-91.6	73	0	0	0	109.9	F62 F68 Y106 I107 L139 L150 R151 L152	F62-L141 HydrophobicContact CD2-CD2 4.42Å; F68-L141 HydrophobicContact CB-CD2 4.15Å; F68-L141 HydrophobicContact CD1-CD2 3.54Å; F68-L141 HydrophobicContact CD2-CD1 4.02Å; F68-L141 HydrophobicContact CD2-CD2 3.53Å; F68-L141 HydrophobicContact CD2-CG 4.37Å; F68-L141 HydrophobicContact CE1-CD1 4.15Å; F68-L141 HydrophobicContact CE1-CD2 3.76Å; F68-L141 HydrophobicContact CE2-CD1 3.41Å; F68-L141 VanDerWaalsContact CE2-CD1 3.41Å; F68-L141 HydrophobicContact CE2-CD2 3.75Å; F68-L141 HydrophobicContact CE2-CG 4.22Å; F68-L141 HydrophobicContact CG-CD2 3.41Å; F68-L141 VanDerWaalsContact CG-CD2 3.41Å; F68-L141 HydrophobicContact CZ-CD1 3.48Å; F68-L141 VanDerWaalsContact CZ-CD1 3.48Å; F68-L141 HydrophobicContact CZ-CD2 3.85Å; F68-L141 HydrophobicContact CZ-CG 4.33Å; Y106-L141 VanDerWaalsContact CA-O 3.23Å; Y106-L141 WeakPolarHBondContact CA-O 3.3Å; Y106-L141 WeakPolarHBondContact CB-O 3.23Å; I107-L141 HydrophobicContact CG2-CB 3.76Å; I107-L141 PolarHBondContact N-O 3.47Å; I107-L141 PolarHBondContact O-N 3.43Å; L139-L141 HydrophobicContact CD2-CD1 3.28Å; L139-L141 HydrophobicContact CG-CD1 4.3Å; L141-L150 HydrophobicContact CD2-CB 4.2Å; L141-R151 WeakPolarHBondContact CA-O 3.36Å; L141-L152 HydrophobicContact CD1-CB 4.49Å; L141-L152 HydrophobicContact CD1-CD1 3.8Å
142	N	97.1	Very high	93.9	Very high	36 Å²	36	40.9 Å²	40.9	19%	0.193	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.3	170.2	-65.4	-82.7	0	0	0	109.2	Y106 R140 R151 T153	Y106-N142 WeakPolarHBondContact CB-OD1 3.47Å; R140-N142 WeakPolarHBondContact CG-ND2 3.42Å; R140-N142 PolarHBondContact NE-ND2 3.21Å; R140-N142 VanDerWaalsContact NE-ND2 3.18Å; R140-N142 PolarHBondContact NE-OD1 3.16Å; R140-N142 PolarHBondContact NH2-OD1 3.11Å; N142-R151 PolarHBondContact N-O 3.47Å; N142-R151 PolarHBondContact O-N 3.43Å; N142-T153 HydrophobicContact CB-CG2 4.06Å; N142-T153 VanDerWaalsContact ND2-CG2 3.31Å; N142-T153 WeakPolarHBondContact ND2-CG2 3.3Å; N142-T153 PolarHBondContact ND2-OG1 2.81Å
143	Y	97.1	Very high	94.3	Very high	24 Å²	24	41.7 Å²	41.7	9%	0.094	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.9	170.8	178.7	-105.8	0	0	0	110	L91 F102 R105 W145 N148	L91-Y143 HydrophobicContact CD1-CD1 3.84Å; L91-Y143 HydrophobicContact CD1-CE1 4.17Å; L91-Y143 HydrophobicContact CD1-CG 4.42Å; L91-Y143 HydrophobicContact CD2-CD1 3.94Å; L91-Y143 HydrophobicContact CD2-CD2 4.12Å; L91-Y143 HydrophobicContact CD2-CE1 3.89Å; L91-Y143 HydrophobicContact CD2-CE2 4.12Å; L91-Y143 HydrophobicContact CD2-CG 4.03Å; F102-Y143 HydrophobicContact CB-CD2 4.18Å; F102-Y143 HydrophobicContact CB-CE2 4.4Å; F102-Y143 AromaticContact CD1-CD2 3.97Å; F102-Y143 HydrophobicContact CD1-CD2 3.97Å; F102-Y143 AromaticContact CD1-CE2 3.97Å; F102-Y143 HydrophobicContact CD1-CE2 3.97Å; F102-Y143 HydrophobicContact CD2-CD2 4.05Å; F102-Y143 AromaticContact CD2-CE2 3.42Å; F102-Y143 HydrophobicContact CD2-CE2 3.42Å; F102-Y143 VanDerWaalsContact CD2-CE2 3.42Å; F102-Y143 HydrophobicContact CE1-CD2 4.36Å; F102-Y143 HydrophobicContact CE1-CE2 4.05Å; F102-Y143 HydrophobicContact CE2-CD2 4.46Å; F102-Y143 AromaticContact CE2-CE2 3.54Å; F102-Y143 HydrophobicContact CE2-CE2 3.54Å; F102-Y143 AromaticContact CG-CD2 3.78Å; F102-Y143 HydrophobicContact CG-CD2 3.78Å; F102-Y143 AromaticContact CG-CE2 3.65Å; F102-Y143 HydrophobicContact CG-CE2 3.65Å; F102-Y143 AromaticContact CZ-CE2 3.85Å; F102-Y143 HydrophobicContact CZ-CE2 3.85Å; R105-Y143 WeakPolarHBondContact O-CB 3.4Å; R105-Y143 PolarHBondContact O-N 2.86Å; Y143-W145 HydrophobicContact CD1-CD2 4.03Å; Y143-W145 AromaticContact CD1-CE2 3.73Å; Y143-W145 HydrophobicContact CD1-CG 4.32Å; Y143-W145 HydrophobicContact CD1-CH2 4.48Å; Y143-W145 AromaticContact CD1-CZ2 3.95Å; Y143-W145 HydrophobicContact CD1-CZ2 3.95Å; Y143-W145 AromaticContact CD1-NE1 3.97Å; Y143-W145 AromaticContact CE1-CD2 3.55Å; Y143-W145 HydrophobicContact CE1-CD2 3.55Å; Y143-W145 AromaticContact CE1-CE2 3.67Å; Y143-W145 AromaticContact CE1-CE3 3.67Å; Y143-W145 HydrophobicContact CE1-CE3 3.67Å; Y143-W145 HydrophobicContact CE1-CG 4.03Å; Y143-W145 AromaticContact CE1-CH2 4Å; Y143-W145 HydrophobicContact CE1-CH2 4Å; Y143-W145 AromaticContact CE1-CZ2 3.87Å; Y143-W145 HydrophobicContact CE1-CZ2 3.87Å; Y143-W145 AromaticContact CE1-CZ3 3.91Å; Y143-W145 HydrophobicContact CE1-CZ3 3.91Å; Y143-N148 PolarHBondContact OH-OD1 2.86Å
144	S	95.2	Very high	94.7	Very high	20 Å²	20	41.8 Å²	41.8	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.2	176.1	179.3	0	0	0	0	109.7	S146 E147 N148 A149	S144-S146 VanDerWaalsContact C-N 3.34Å; S144-S146 PolarHBondContact O-N 3.24Å; S144-S146 PolarHBondContact OG-OG 3.24Å; S144-S146 VanDerWaalsContact OG-OG 3.07Å; S144-E147 PolarHBondContact O-N 3.07Å; S144-N148 WeakPolarHBondContact O-CA 3.35Å; S144-N148 PolarHBondContact O-N 2.82Å; S144-A149 PolarHBondContact N-O 3.1Å; S144-A149 PolarHBondContact O-N 3.4Å
145	W	92.1	Very high	95	Very high	65 Å²	65	41.9 Å²	41.9	25%	0.246	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-38.8	177.7	-64.1	89.8	0	0	0	112.7	L91 Y143 E147 N148 D249 R253	L91-W145 HydrophobicContact CD1-CH2 3.54Å; L91-W145 HydrophobicContact CD1-CZ2 3.38Å; L91-W145 HydrophobicContact CG-CH2 4.49Å; Y143-W145 HydrophobicContact CD1-CD2 4.03Å; Y143-W145 AromaticContact CD1-CE2 3.73Å; Y143-W145 HydrophobicContact CD1-CG 4.32Å; Y143-W145 HydrophobicContact CD1-CH2 4.48Å; Y143-W145 AromaticContact CD1-CZ2 3.95Å; Y143-W145 HydrophobicContact CD1-CZ2 3.95Å; Y143-W145 AromaticContact CD1-NE1 3.97Å; Y143-W145 AromaticContact CE1-CD2 3.55Å; Y143-W145 HydrophobicContact CE1-CD2 3.55Å; Y143-W145 AromaticContact CE1-CE2 3.67Å; Y143-W145 AromaticContact CE1-CE3 3.67Å; Y143-W145 HydrophobicContact CE1-CE3 3.67Å; Y143-W145 HydrophobicContact CE1-CG 4.03Å; Y143-W145 AromaticContact CE1-CH2 4Å; Y143-W145 HydrophobicContact CE1-CH2 4Å; Y143-W145 AromaticContact CE1-CZ2 3.87Å; Y143-W145 HydrophobicContact CE1-CZ2 3.87Å; Y143-W145 AromaticContact CE1-CZ3 3.91Å; Y143-W145 HydrophobicContact CE1-CZ3 3.91Å; W145-E147 VanDerWaalsContact C-N 3.3Å; W145-E147 PolarHBondContact O-N 3.07Å; W145-N148 PolarHBondContact O-N 3.04Å; W145-D249 VanDerWaalsContact CD1-OD1 3.29Å; W145-D249 VanDerWaalsContact CD1-OD2 3.25Å; W145-D249 HydrophobicContact CG-CB 4.34Å; W145-D249 PolarHBondContact NE1-OD2 3.23Å; W145-R253 VanDerWaalsContact CE2-NH2 3.28Å; W145-R253 VanDerWaalsContact CH2-NH2 3.34Å
146	S	93.7	Very high	95.1	Very high	101 Å²	101	43.7 Å²	43.7	71%	0.706	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.3	-178.5	52.3	0	0	0	0	113.4	S144	S144-S146 VanDerWaalsContact C-N 3.34Å; S144-S146 PolarHBondContact O-N 3.24Å; S144-S146 PolarHBondContact OG-OG 3.24Å; S144-S146 VanDerWaalsContact OG-OG 3.07Å
147	E	92.2	Very high	95	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.318	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-7.1	-177.2	-61.8	178.7	-178.8	0	0	112.2	R61 S144 W145 A149 R151	R61-E147 VanDerWaalsContact CD-OE2 3.23Å; R61-E147 WeakPolarHBondContact CD-OE2 3.48Å; R61-E147 IonicContact CZ-OE1 3.27Å; R61-E147 VanDerWaalsContact CZ-OE1 3.26Å; R61-E147 IonicContact CZ-OE2 3.56Å; R61-E147 IonicContact NE-OE1 3.1Å; R61-E147 IonicContact NE-OE2 3.98Å; R61-E147 PolarHBondContact NE-OE2 2.87Å; R61-E147 IonicContact NH1-OE2 3.26Å; R61-E147 IonicContact NH2-OE1 3.1Å; R61-E147 PolarHBondContact NH2-OE1 3.48Å; R61-E147 IonicContact NH2-OE2 3Å; R61-E147 PolarHBondContact NH2-OE2 2.94Å; S144-E147 PolarHBondContact O-N 3.07Å; W145-E147 VanDerWaalsContact C-N 3.3Å; W145-E147 PolarHBondContact O-N 3.07Å; E147-A149 HydrophobicContact CB-CB 4.21Å; E147-A149 PolarHBondContact O-N 3.12Å; E147-R151 VanDerWaalsContact OE2-CD 3.26Å; E147-R151 WeakPolarHBondContact OE2-CD 3.41Å; E147-R151 IonicContact OE2-NE 3.34Å
148	N	93.8	Very high	94.8	Very high	96 Å²	96	44.1 Å²	44.1	51%	0.513	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	51.2	-169.1	-169	28	0	0	0	111.8	F102 Y143 S144 W145	F102-N148 WeakPolarHBondContact CE2-OD1 3.42Å; F102-N148 WeakPolarHBondContact CZ-O 3.4Å; Y143-N148 PolarHBondContact OH-OD1 2.86Å; S144-N148 WeakPolarHBondContact O-CA 3.35Å; S144-N148 PolarHBondContact O-N 2.82Å; W145-N148 PolarHBondContact O-N 3.04Å
149	A	95.6	Very high	94.6	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.9	-173.3	0	0	0	0	0	111.9	R61 F62 S144 E147	R61-A149 HydrophobicContact CB-CB 4.26Å; F62-A149 WeakPolarHBondContact O-CA 3.43Å; S144-A149 PolarHBondContact N-O 3.1Å; S144-A149 PolarHBondContact O-N 3.4Å; E147-A149 HydrophobicContact CB-CB 4.21Å; E147-A149 PolarHBondContact O-N 3.12Å
150	L	95.8	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.3	167.8	-79.7	166.4	0	0	0	109.3	R61 F62 F65 F102 L141	R61-L150 CarbonylContact C-O 3.52Å; R61-L150 WeakPolarHBondContact CA-O 3.4Å; F62-L150 HydrophobicContact CB-CB 4.19Å; F62-L150 PolarHBondContact N-O 3.21Å; F62-L150 PolarHBondContact O-N 3.35Å; F65-L150 HydrophobicContact CB-CD1 4.08Å; F65-L150 HydrophobicContact CD2-CD1 4.19Å; F102-L150 HydrophobicContact CB-CD1 4.42Å; F102-L150 HydrophobicContact CB-CG 4.49Å; F102-L150 HydrophobicContact CD1-CD1 3.9Å; F102-L150 HydrophobicContact CD1-CG 3.73Å; L141-L150 HydrophobicContact CD2-CB 4.2Å
151	R	96.6	Very high	93.6	Very high	87 Å²	87	46.3 Å²	46.3	33%	0.328	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.9	179.7	-63.8	-175.7	70.1	-132.7	-0.9	110.9	L60 R61 L141 N142 E147 T153	L60-R151 WeakPolarHBondContact O-CA 3.23Å; R61-R151 HydrophobicContact CG-CG 4.32Å; L141-R151 WeakPolarHBondContact CA-O 3.36Å; N142-R151 PolarHBondContact N-O 3.47Å; N142-R151 PolarHBondContact O-N 3.43Å; E147-R151 VanDerWaalsContact OE2-CD 3.26Å; E147-R151 WeakPolarHBondContact OE2-CD 3.41Å; E147-R151 IonicContact OE2-NE 3.34Å; R151-T153 PolarHBondContact O-N 2.85Å
152	L	96.1	Very high	93.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	102.4	169	177.3	53.1	0	0	0	109.2	L56 R57 G59 L60 F62 L139 R140 L141 T154 L155	L56-L152 HydrophobicContact CB-CD2 4.16Å; L56-L152 HydrophobicContact CD2-CD2 4.4Å; R57-L152 VanDerWaalsContact O-CD2 3.29Å; R57-L152 WeakPolarHBondContact O-CD2 3.43Å; G59-L152 PolarHBondContact N-O 2.91Å; L60-L152 HydrophobicContact CB-CB 4.49Å; L60-L152 PolarHBondContact O-N 3.13Å; F62-L152 HydrophobicContact CE2-CB 4.41Å; L139-L152 HydrophobicContact CD1-CD1 3.82Å; L139-L152 HydrophobicContact CD1-CD2 4.39Å; L139-L152 HydrophobicContact CD2-CD1 4.02Å; L139-L152 HydrophobicContact CG-CD1 3.54Å; R140-L152 WeakPolarHBondContact O-CD1 3.25Å; L141-L152 HydrophobicContact CD1-CB 4.49Å; L141-L152 HydrophobicContact CD1-CD1 3.8Å; L152-T154 VanDerWaalsContact CD1-O 3.27Å; L152-T154 WeakPolarHBondContact CD1-O 3.44Å; L152-L155 HydrophobicContact CD1-CB 4.47Å; L152-L155 HydrophobicContact CD2-CB 4.45Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å
153	T	95.3	Very high	92.6	Very high	50 Å²	50	54.3 Å²	54.3	31%	0.307	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-30.6	-175	58.5	0	0	0	0	113.1	R140 N142 R151	R140-T153 PolarHBondContact O-N 3.24Å; R140-T153 PolarHBondContact O-OG1 2.94Å; N142-T153 HydrophobicContact CB-CG2 4.06Å; N142-T153 VanDerWaalsContact ND2-CG2 3.31Å; N142-T153 WeakPolarHBondContact ND2-CG2 3.3Å; N142-T153 PolarHBondContact ND2-OG1 2.81Å; R151-T153 PolarHBondContact O-N 2.85Å
154	T	95.1	Very high	92.2	Very high	50 Å²	50	55.7 Å²	55.7	31%	0.307	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.4	-176.6	-46.4	0	0	0	0	108.8	M138 L139 R140 L152	M138-T154 HydrophobicContact CE-CG2 4.08Å; M138-T154 HydrophobicContact CG-CG2 4.49Å; M138-T154 HydrophobicContact SD-CG2 4.4Å; L139-T154 CarbonylContact C-O 3.54Å; L139-T154 VanDerWaalsContact CA-O 3.3Å; L139-T154 WeakPolarHBondContact CA-O 3.17Å; R140-T154 PolarHBondContact N-O 2.8Å; R140-T154 PolarHBondContact O-N 3.07Å; L152-T154 VanDerWaalsContact CD1-O 3.27Å; L152-T154 WeakPolarHBondContact CD1-O 3.44Å
155	L	94.9	Very high	91.8	Very high	35 Å²	35	56.6 Å²	56.6	18%	0.183	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	109.2	174.2	177.2	68.2	0	0	0	108.8	L56 I58 W75 L139 L152	L56-L155 HydrophobicContact CB-CD2 4.18Å; L56-L155 VanDerWaalsContact O-CD2 3.29Å; L56-L155 WeakPolarHBondContact O-CD2 3.4Å; I58-L155 HydrophobicContact CD1-CB 4.38Å; I58-L155 HydrophobicContact CG1-CB 3.71Å; W75-L155 HydrophobicContact CH2-CD1 4.03Å; W75-L155 HydrophobicContact CZ2-CD1 4.25Å; L139-L155 HydrophobicContact CB-CD1 4.46Å; L139-L155 HydrophobicContact CD1-CD1 3.68Å; L139-L155 HydrophobicContact CG-CD1 4.35Å; L152-L155 HydrophobicContact CD1-CB 4.47Å; L152-L155 HydrophobicContact CD2-CB 4.45Å; L152-L155 HydrophobicContact CD2-CD2 4.42Å
156	C	93.6	Very high	91.5	Very high	39 Å²	39	56.3 Å²	56.3	26%	0.264	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	101.2	166.2	-176.7	0	0	0	0	107.5	A137 M138	A137-C156 VanDerWaalsContact CA-O 3.29Å; A137-C156 WeakPolarHBondContact CA-O 3.42Å; M138-C156 HydrophobicContact CG-CB 4.19Å; M138-C156 PolarHBondContact N-O 2.79Å; M138-C156 VanDerWaalsContact N-O 3.12Å; M138-C156 PolarHBondContact O-N 2.84Å
157	A	90.8	Very high	91.1	Very high	41 Å²	41	57.9 Å²	57.9	34%	0.339	33%	0.332	S	S	.	.			trans	-87.3	-9.9	-179.7	0	0	0	0	0	112.9	W75 H159	W75-A157 HydrophobicContact CH2-CB 4.27Å; W75-A157 HydrophobicContact CZ2-CB 3.84Å; A157-H159 PolarHBondContact O-CD2 2.83Å; A157-H159 PolarHBondContact O-N 2.92Å
158	V	90.5	Very high	90.7	Very high	100 Å²	100	56 Å²	56	61%	0.606	33%	0.328	S	S	*	.			trans	-81.6	120.4	-176.4	-178.6	0	0	0	0	109.4
159	H	91.7	Very high	90.3	Very high	29 Å²	29	53 Å²	53	13%	0.134	31%	0.31	C	S	.	.			trans	-89.9	134.4	174	-73.2	-95.4	0	0	0	110.4	H81 C111 C135 A137 A157 H162 T164	H81-H159 AromaticContact CD2-CD2 3.49Å; H81-H159 PolarHBondContact CD2-CD2 2.65Å; H81-H159 VanDerWaalsContact CD2-CD2 3.49Å; H81-H159 AromaticContact CD2-NE2 3.2Å; H81-H159 PolarHBondContact CD2-NE2 3.49Å; H81-H159 AromaticContact CE1-NE2 4Å; H81-H159 AromaticContact CG-NE2 3.39Å; H81-H159 AromaticContact ND1-NE2 3.9Å; H81-H159 AromaticContact NE2-CD2 3.56Å; H81-H159 AromaticContact NE2-NE2 3.64Å; C111-H159 VanDerWaalsContact SG-CE1 3.54Å; C111-H159 PolarHBondContact SG-ND1 3.3Å; C135-H159 PolarHBondContact SG-ND1 2.61Å; A137-H159 VanDerWaalsContact CB-CE1 3.48Å; A137-H159 WeakPolarHBondContact CB-CE1 3.29Å; A157-H159 PolarHBondContact O-CD2 2.83Å; A157-H159 PolarHBondContact O-N 2.92Å; H159-H162 AromaticContact CG-CE1 3.79Å; H159-H162 AromaticContact CG-NE2 3.73Å; H159-H162 AromaticContact ND1-CE1 3.18Å; H159-H162 PolarHBondContact ND1-CE1 2.85Å; H159-H162 AromaticContact ND1-NE2 2.99Å; H159-H162 PolarHBondContact ND1-NE2 3.2Å; H159-T164 HydrophobicContact CB-CG2 3.92Å
160	T	89.2	Confident	89.8	Confident	54 Å²	54	58.8 Å²	58.8	33%	0.331	34%	0.335	S	S	.	.			trans	-122.3	136.7	179.4	52.1	0	0	0	0	109.9	G134 C135 Q136 H162	G134-T160 PolarHBondContact O-OG1 3.25Å; C135-T160 WeakPolarHBondContact CA-O 3.28Å; C135-T160 WeakPolarHBondContact CA-OG1 3.42Å; C135-T160 WeakPolarHBondContact CB-O 3.17Å; Q136-T160 PolarHBondContact N-OG1 2.67Å; T160-H162 VanDerWaalsContact C-N 3.33Å; T160-H162 PolarHBondContact O-N 2.93Å
161	G	83.4	Confident	89	Confident	68 Å²	68	64.7 Å²	64.7	70%	0.701	36%	0.363	S	S	*	.	S	Bend	trans	79.9	3.9	174.9	0	0	0	0	0	116.1	C133	C133-G161 VanDerWaalsContact SG-C 3.58Å; C133-G161 PolarHBondContact SG-O 3.18Å
162	H	87.6	Confident	88	Confident	38 Å²	38	63.5 Å²	63.5	18%	0.176	36%	0.36	C	S	.	.	S	Bend	trans	-154.2	158.5	169.8	72.9	90	0	0	0	111	C111 H113 C135 H159 T160	C111-H162 PolarHBondContact SG-NE2 3.01Å; H113-H162 AromaticContact CD2-CD2 3.69Å; H113-H162 AromaticContact CD2-CE1 3.74Å; H113-H162 AromaticContact CD2-CG 3.64Å; H113-H162 AromaticContact CD2-ND1 3.68Å; H113-H162 AromaticContact CD2-NE2 3.75Å; H113-H162 AromaticContact CG-CD2 3.79Å; H113-H162 AromaticContact CG-CG 3.98Å; C135-H162 PolarHBondContact SG-NE2 3.34Å; C135-H162 VanDerWaalsContact SG-NE2 3.36Å; H159-H162 AromaticContact CG-CE1 3.79Å; H159-H162 AromaticContact CG-NE2 3.73Å; H159-H162 AromaticContact ND1-CE1 3.18Å; H159-H162 PolarHBondContact ND1-CE1 2.85Å; H159-H162 AromaticContact ND1-NE2 2.99Å; H159-H162 PolarHBondContact ND1-NE2 3.2Å; T160-H162 VanDerWaalsContact C-N 3.33Å; T160-H162 PolarHBondContact O-N 2.93Å
163	E	85.3	Confident	87	Confident	165 Å²	165	65.7 Å²	65.7	77%	0.771	38%	0.375	S	S	*	.			trans	-85.2	148.8	174.6	-64	180	179.1	0	0	111.2
164	T	87.4	Confident	85.2	Confident	54 Å²	54	65.1 Å²	65.1	33%	0.331	38%	0.38	S	S	.	.			trans	-104.2	85	171.8	49.9	0	0	0	0	108.4	H159	H159-T164 HydrophobicContact CB-CG2 3.92Å
165	S	86.2	Confident	83.2	Confident	38 Å²	38	70.5 Å²	70.5	27%	0.266	40%	0.399	S	S	.	.			trans	-103.8	153.3	177.5	73.7	0	0	0	0	111.1	E167 A168 Y169	S165-E167 PolarHBondContact O-N 2.93Å; S165-A168 PolarHBondContact O-N 2.81Å; S165-A168 WeakPolarHBondContact OG-CB 3.31Å; S165-A168 PolarHBondContact OG-N 3.25Å; S165-A168 VanDerWaalsContact OG-N 3.14Å; S165-Y169 PolarHBondContact O-N 2.88Å
166	P	86.7	Confident	80.9	Confident	60 Å²	60	78 Å²	78	39%	0.39	43%	0.425	S	S	.	.	H	α-helix	trans	-56.7	-37.2	174.5	20	-31.7	0	0	0	112.4	Y80 Y169 Q170	Y80-P166 HydrophobicContact CD1-CB 3.91Å; Y80-P166 HydrophobicContact CE1-CB 3.63Å; Y80-P166 HydrophobicContact CE1-CG 4.49Å; Y80-P166 HydrophobicContact CE2-CB 4.47Å; Y80-P166 HydrophobicContact CG-CB 4.45Å; P166-Y169 PolarHBondContact O-N 2.68Å; P166-Q170 WeakPolarHBondContact O-CG 3.29Å; P166-Q170 PolarHBondContact O-N 2.97Å
167	E	85.5	Confident	78.4	Confident	134 Å²	134	82 Å²	82	63%	0.626	45%	0.448	S	S	*	.	H	α-helix	trans	-65.1	-47	177.9	-171.5	-177.4	174.2	0	0	111.6	S165 Y169 Q170 Q171	S165-E167 PolarHBondContact O-N 2.93Å; E167-Y169 VanDerWaalsContact C-N 3.32Å; E167-Y169 PolarHBondContact O-N 3.42Å; E167-Q170 PolarHBondContact O-N 2.89Å; E167-Q171 PolarHBondContact O-N 3.22Å
168	A	82.8	Confident	75.8	Confident	28 Å²	28	85 Å²	85	23%	0.231	46%	0.462	C	S	.	.	H	α-helix	trans	-60.4	-44.2	175.6	0	0	0	0	0	110.9	S165 Q170 Q171 F172	S165-A168 PolarHBondContact O-N 2.81Å; S165-A168 WeakPolarHBondContact OG-CB 3.31Å; S165-A168 PolarHBondContact OG-N 3.25Å; S165-A168 VanDerWaalsContact OG-N 3.14Å; A168-Q170 VanDerWaalsContact C-N 3.32Å; A168-Q170 PolarHBondContact O-N 3.37Å; A168-Q171 PolarHBondContact O-N 3.4Å; A168-F172 WeakPolarHBondContact O-CD2 3.29Å; A168-F172 PolarHBondContact O-N 2.76Å
169	Y	87.3	Confident	73.1	Confident	33 Å²	33	91.4 Å²	91.4	13%	0.129	48%	0.475	C	S	.	.	H	α-helix	trans	-61.3	-37.1	178.3	-177.4	-104.8	0	0	0	113.2	K76 A77 Y80 H81 S165 P166 E167 Q171 F172 S173	K76-Y169 HydrophobicContact CB-CE2 4.15Å; A77-Y169 HydrophobicContact CB-CE1 4.21Å; A77-Y169 PolarHBondContact N-OH 3.02Å; Y80-Y169 HydrophobicContact CD1-CD1 4.47Å; Y80-Y169 HydrophobicContact CD1-CG 4.48Å; H81-Y169 WeakPolarHBondContact O-CE2 3.46Å; S165-Y169 PolarHBondContact O-N 2.88Å; P166-Y169 PolarHBondContact O-N 2.68Å; E167-Y169 VanDerWaalsContact C-N 3.32Å; E167-Y169 PolarHBondContact O-N 3.42Å; Y169-Q171 PolarHBondContact O-N 2.88Å; Y169-F172 PolarHBondContact O-N 2.76Å; Y169-S173 WeakPolarHBondContact O-CB 3.24Å; Y169-S173 PolarHBondContact O-N 2.85Å; Y169-S173 PolarHBondContact O-OG 3.43Å
170	Q	85.1	Confident	70.5	Confident	130 Å²	130	96 Å²	96	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-63.5	-39.5	175.4	-75	174.8	23.9	0	0	112.3	P166 E167 A168 F172 S173 G174	P166-Q170 WeakPolarHBondContact O-CG 3.29Å; P166-Q170 PolarHBondContact O-N 2.97Å; E167-Q170 PolarHBondContact O-N 2.89Å; A168-Q170 VanDerWaalsContact C-N 3.32Å; A168-Q170 PolarHBondContact O-N 3.37Å; Q170-F172 PolarHBondContact O-N 3.27Å; Q170-S173 WeakPolarHBondContact CA-OG 3.26Å; Q170-S173 PolarHBondContact O-N 3.42Å; Q170-S173 PolarHBondContact O-OG 2.79Å; Q170-G174 WeakPolarHBondContact O-CA 3.19Å; Q170-G174 PolarHBondContact O-N 2.62Å
171	Q	78.8	Confident	67.9	Low	125 Å²	125	98.3 Å²	98.3	58%	0.584	54%	0.535	S	S	*	.	H	α-helix	trans	-63.3	-29.8	177.4	-63.8	179.9	16.4	0	0	112.8	E167 A168 Y169	E167-Q171 PolarHBondContact O-N 3.22Å; A168-Q171 PolarHBondContact O-N 3.4Å; Y169-Q171 PolarHBondContact O-N 2.88Å
172	F	75.7	Confident	65.7	Low	61 Å²	61	99.3 Å²	99.3	27%	0.268	53%	0.531	S	S	.	.	H	α-helix	trans	-85.7	-39.5	176.7	-69.9	-70.6	0	0	0	113.5	P82 A112 H113 L131 A168 Y169 Q170	P82-F172 HydrophobicContact CB-CB 3.97Å; P82-F172 HydrophobicContact CB-CD1 4.41Å; P82-F172 HydrophobicContact CB-CD2 3.48Å; P82-F172 VanDerWaalsContact CB-CD2 3.48Å; P82-F172 HydrophobicContact CB-CE2 4.1Å; P82-F172 HydrophobicContact CB-CG 3.69Å; P82-F172 HydrophobicContact CG-CD2 4.24Å; P82-F172 HydrophobicContact CG-CE2 4.44Å; A112-F172 HydrophobicContact CB-CD1 3.87Å; A112-F172 HydrophobicContact CB-CE1 3.59Å; A112-F172 HydrophobicContact CB-CZ 4.03Å; H113-F172 AromaticContact CE1-CZ 3.83Å; H113-F172 AromaticContact NE2-CE2 3.56Å; H113-F172 AromaticContact NE2-CZ 3.4Å; H113-F172 WeakPolarHBondContact NE2-CZ 3.38Å; L131-F172 HydrophobicContact CD1-CE1 3.54Å; L131-F172 HydrophobicContact CD1-CZ 3.53Å; L131-F172 HydrophobicContact CD2-CE1 4.34Å; A168-F172 WeakPolarHBondContact O-CD2 3.29Å; A168-F172 PolarHBondContact O-N 2.76Å; Y169-F172 PolarHBondContact O-N 2.76Å; Q170-F172 PolarHBondContact O-N 3.27Å
173	S	74.4	Confident	63.5	Low	47 Å²	47	105.6 Å²	105.6	33%	0.329	56%	0.564	S	S	.	*	H	α-helix	trans	-78	-34.8	-178.6	54.4	0	0	0	0	112.8	Y169 Q170 K175 R176	Y169-S173 WeakPolarHBondContact O-CB 3.24Å; Y169-S173 PolarHBondContact O-N 2.85Å; Y169-S173 PolarHBondContact O-OG 3.43Å; Q170-S173 WeakPolarHBondContact CA-OG 3.26Å; Q170-S173 PolarHBondContact O-N 3.42Å; Q170-S173 PolarHBondContact O-OG 2.79Å; S173-K175 PolarHBondContact O-N 2.83Å; S173-K175 VanDerWaalsContact O-N 3.14Å; S173-R176 PolarHBondContact O-N 3.44Å
174	G	57.6	Low	61.4	Low	39 Å²	39	104.4 Å²	104.4	40%	0.402	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-65.2	-17	-175.8	0	0	0	0	0	115.3	Q170 R176 V177	Q170-G174 WeakPolarHBondContact O-CA 3.19Å; Q170-G174 PolarHBondContact O-N 2.62Å; G174-R176 PolarHBondContact O-N 2.92Å; G174-R176 VanDerWaalsContact O-N 3.13Å; G174-V177 PolarHBondContact O-N 2.98Å
175	K	52.7	Low	58.9	Low	163 Å²	163	106.2 Å²	106.2	71%	0.709	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-69.3	-7	176.3	-67.4	-179	-175.8	174.6	0	113.8	S173	S173-K175 PolarHBondContact O-N 2.83Å; S173-K175 VanDerWaalsContact O-N 3.14Å
176	R	47.1	Very low	56.8	Low	192 Å²	192	111.2 Å²	111.2	73%	0.725	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-92.2	-9	177.3	-75.3	-174.6	178.1	178	-2.3	115.2	E73 S173 G174	E73-R176 IonicContact OE1-NH1 3.89Å; S173-R176 PolarHBondContact O-N 3.44Å; G174-R176 PolarHBondContact O-N 2.92Å; G174-R176 VanDerWaalsContact O-N 3.13Å
177	V	40.6	Very low	54.6	Low	124 Å²	124	117.9 Å²	117.9	75%	0.752	65%	0.646	S	S	*	*	S	Bend	trans	-107.6	-5.2	-170.7	-178	0	0	0	0	114.7	G174	G174-V177 PolarHBondContact O-N 2.98Å
178	V	37.2	Very low	52.3	Low	104 Å²	104	114.3 Å²	114.3	63%	0.63	64%	0.644	S	S	*	*	S	Bend	trans	-124.9	74.5	-176.4	-167.5	0	0	0	0	112.2
179	R	34	Very low	50.6	Low	233 Å²	233	118.4 Å²	118.4	88%	0.879	67%	0.671	S	S	*	*	S	Bend	trans	-142.9	10.5	160.4	-84.9	-158.6	166.9	85.7	0.7	115.5
180	S	36.5	Very low	48.6	Very low	127 Å²	127	128.6 Å²	128.6	89%	0.888	71%	0.71	S	S	*	*	S	Bend	trans	-134.1	11.2	-177.1	-48	0	0	0	0	115.3
181	A	35	Very low	46.7	Very low	101 Å²	101	127.8 Å²	127.8	84%	0.835	72%	0.718	S	S	*	*	S	Bend	trans	-142.2	23.1	-173.6	0	0	0	0	0	116
182	S	36.6	Very low	45.1	Very low	89 Å²	89	127.9 Å²	127.9	62%	0.622	73%	0.733	S	S	*	*			trans	-141.2	61.4	177.6	68.6	0	0	0	0	113.1
183	I	42.1	Very low	43.4	Very low	170 Å²	170	129 Å²	129	87%	0.872	76%	0.761	S	S	*	*	S	Bend	trans	-118.4	26.4	162.4	-78	177.5	0	0	0	109.7
184	V	39.8	Very low	41.9	Very low	140 Å²	140	131.5 Å²	131.5	85%	0.848	78%	0.779	S	S	*	*	S	Bend	trans	-147.6	51.4	-177.8	-155.4	0	0	0	0	112.2
185	A	35.4	Very low	41.3	Very low	93 Å²	93	136 Å²	136	77%	0.769	79%	0.794	S	S	*	*			trans	-167.4	48.2	172.3	0	0	0	0	0	115.3
186	V	42.5	Very low	41.2	Very low	143 Å²	143	136.7 Å²	136.7	87%	0.867	80%	0.799	S	S	*	*			trans	-145	68.6	155.7	-172.9	0	0	0	0	108.5
187	M	40.4	Very low	40.8	Very low	200 Å²	200	134.6 Å²	134.6	99%	0.985	80%	0.798	S	S	*	*			trans	-86.8	118	152.8	-83	178.8	157.5	0	0	106.1
188	G	36.6	Very low	40.9	Very low	58 Å²	58	135.2 Å²	135.2	60%	0.598	80%	0.797	S	S	*	*			trans	151.1	95	170.7	0	0	0	0	0	114.5
189	S	46.8	Very low	41	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	80%	0.804	S	S	*	*			trans	77	97	144.3	-46.4	0	0	0	0	117.5
190	R	45.7	Very low	41.5	Very low	248 Å²	248	132.7 Å²	132.7	94%	0.936	80%	0.798	S	S	*	*				172.6	143.5	101.5	-91.2	168.1	169.8	-140.7	-3.8	112.5
191	S	44.2	Very low	41.5	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	80%	0.795	S	S	*	*			trans	-85.3	166.2	-161.8	-42.8	0	0	0	0	115.5
192	S	46.3	Very low	42.1	Very low	128 Å²	128	136.5 Å²	136.5	90%	0.895	79%	0.794	S	S	*	*			trans	87.7	115.7	146.8	-60.2	0	0	0	0	119.4
193	G	39.1	Very low	42.9	Very low	84 Å²	84	137.7 Å²	137.7	87%	0.866	80%	0.8	S	S	*	*			trans	160.1	108.1	163.2	0	0	0	0	0	110.8
194	S	42.8	Very low	43.3	Very low	100 Å²	100	135 Å²	135	70%	0.699	79%	0.793	S	S	*	*			trans	-96.7	163.1	-157.3	55.8	0	0	0	0	115.6
195	D	46.2	Very low	43.9	Very low	134 Å²	134	134.5 Å²	134.5	72%	0.717	79%	0.793	S	S	*	*			trans	88.7	123.3	145.2	-55.5	-42.7	0	0	0	123.1
196	Q	50.5	Low	44.8	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	80%	0.796	S	S	*	*			trans	70.6	142.9	150.6	-71.3	175	51.9	0	0	118.6
197	E	38.4	Very low	44.5	Very low	148 Å²	148	137.9 Å²	137.9	69%	0.692	80%	0.795	S	S	*	*			cis	-174.2	157.8	-16.1	-168.5	179.9	84.9	0	0	104.3
198	N	43.4	Very low	44.7	Very low	137 Å²	137	136.1 Å²	136.1	73%	0.733	79%	0.789	S	S	*	*			trans	85.5	103.2	164.3	-62.9	-46.8	0	0	0	120
199	Q	39.5	Very low	44.7	Very low	165 Å²	165	137.9 Å²	137.9	77%	0.771	79%	0.79	S	S	*	*			trans	-89.1	155.9	147.1	-96.4	-147.7	48.2	0	0	109.4
200	P	43.7	Very low	43.9	Very low	119 Å²	119	138.3 Å²	138.3	77%	0.773	79%	0.791	S	S	*	*				-143	145.2	96.9	31.8	-13.1	0	0	0	116
201	E	37.2	Very low	43.6	Very low	174 Å²	174	134.9 Å²	134.9	81%	0.813	79%	0.786	S	S	*	*			trans	3.2	132.9	154	-53	-160.7	128.2	0	0	120.2
202	T	47.6	Very low	43.3	Very low	134 Å²	134	134.2 Å²	134.2	82%	0.822	78%	0.781	S	S	*	*			trans	-137.6	133.1	165.1	-48.9	0	0	0	0	109.8
203	P	53.6	Low	42.8	Very low	114 Å²	114	133 Å²	133	74%	0.74	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-83	171.4	-162.5	35.6	-37.6	0	0	0	113.9
204	P	49.3	Very low	42.8	Very low	113 Å²	113	135.5 Å²	135.5	73%	0.734	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-75.4	152.8	-168	31.8	-34.4	0	0	0	112.6	Q206	P204-Q206 PolarHBondContact O-N 3.4Å
205	P	52.5	Low	42.3	Very low	131 Å²	131	133.9 Å²	133.9	85%	0.851	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-75.6	128.6	-176.5	29.4	-30.6	0	0	0	111.5
206	Q	54.4	Low	41.9	Very low	178 Å²	178	136.4 Å²	136.4	83%	0.832	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.7	152.7	173.5	-68.3	-177.7	-21.8	0	0	112.3	P204	P204-Q206 PolarHBondContact O-N 3.4Å
207	P	36.7	Very low	41	Very low	129 Å²	129	139 Å²	139	84%	0.838	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.6	131.6	-176	30.6	-32.9	0	0	0	111.7
208	L	45.4	Very low	40.9	Very low	162 Å²	162	137.4 Å²	137.4	85%	0.848	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.9	150.5	176.6	-74.1	171.9	0	0	0	112.4
209	P	36.5	Very low	40.6	Very low	96 Å²	96	138.1 Å²	138.1	62%	0.623	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.1	144.7	-167.7	-4.1	23	0	0	0	112.6	H211	P209-H211 PolarHBondContact O-CE1 2.7Å; P209-H211 PolarHBondContact O-ND1 2.88Å
210	C	28.6	Very low	40.3	Very low	123 Å²	123	138.7 Å²	138.7	83%	0.831	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-54.6	129.9	172.7	48.5	0	0	0	0	113
211	H	39.5	Very low	40	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.815	78%	0.782	S	S	*	*			trans	-102.8	110.3	168.3	-15	-67.8	0	0	0	108.5	P209	P209-H211 PolarHBondContact O-CE1 2.7Å; P209-H211 PolarHBondContact O-ND1 2.88Å
212	S	37.2	Very low	40	Very low	98 Å²	98	139 Å²	139	69%	0.685	77%	0.771	S	S	*	*			trans	-62.7	136.9	172.5	-49.7	0	0	0	0	111	T214	S212-T214 PolarHBondContact O-N 2.91Å; S212-T214 VanDerWaalsContact O-N 3.07Å
213	P	37.5	Very low	39.6	Very low	102 Å²	102	139.8 Å²	139.8	66%	0.662	77%	0.771	S	S	*	*			trans	-84.7	86.2	-178.7	33.2	-30.4	0	0	0	110
214	T	37.9	Very low	39.1	Very low	137 Å²	137	142.1 Å²	142.1	84%	0.84	77%	0.772	S	S	*	*			trans	-114.5	117.6	166.2	-32.6	0	0	0	0	108.2	S212	S212-T214 PolarHBondContact O-N 2.91Å; S212-T214 VanDerWaalsContact O-N 3.07Å
215	G	32.3	Very low	38.7	Very low	65 Å²	65	144.6 Å²	144.6	67%	0.67	78%	0.779	S	S	*	*			trans	129.5	96.7	165.6	0	0	0	0	0	113.6	R217	G215-R217 PolarHBondContact O-N 2.87Å
216	F	37.2	Very low	38.2	Very low	187 Å²	187	142.2 Å²	142.2	82%	0.82	78%	0.778	S	S	*	*			trans	-50.5	93.6	142.9	-98.1	-95.3	0	0	0	107.6	C218	F216-C218 PolarHBondContact O-N 2.83Å
217	R	32.6	Very low	37.9	Very low	230 Å²	230	139 Å²	139	87%	0.868	78%	0.775	S	S	*	*			trans	-73.9	87	169.8	-167.8	174.1	-171.3	179.7	2.3	106.4	G215 Q219	G215-R217 PolarHBondContact O-N 2.87Å; R217-Q219 VanDerWaalsContact C-N 3.34Å; R217-Q219 PolarHBondContact O-N 3.36Å
218	C	35.3	Very low	38.7	Very low	115 Å²	115	140.2 Å²	140.2	78%	0.777	78%	0.775	S	S	*	*			trans	-53.1	108.2	157.9	-166.4	0	0	0	0	105	F216 Q220	F216-C218 PolarHBondContact O-N 2.83Å; C218-Q220 VanDerWaalsContact C-N 3.28Å; C218-Q220 PolarHBondContact O-N 2.81Å
219	Q	39	Very low	39.6	Very low	152 Å²	152	135.9 Å²	135.9	71%	0.71	75%	0.753	S	S	*	*			trans	-59	106.7	169.5	-70.8	-174.1	26.7	0	0	104.7	R217 W221	R217-Q219 VanDerWaalsContact C-N 3.34Å; R217-Q219 PolarHBondContact O-N 3.36Å; Q219-W221 VanDerWaalsContact C-N 3.32Å; Q219-W221 PolarHBondContact O-N 2.96Å
220	Q	32.3	Very low	41	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	77%	0.765	S	S	*	*			trans	-55.2	103.3	173.1	-173.4	171.7	4.6	0	0	105.4	C218 S222	C218-Q220 VanDerWaalsContact C-N 3.28Å; C218-Q220 PolarHBondContact O-N 2.81Å; Q220-S222 PolarHBondContact O-N 2.99Å
221	W	37.9	Very low	43.4	Very low	215 Å²	215	140.7 Å²	140.7	81%	0.814	75%	0.749	S	S	*	*			trans	-67.5	89.7	170.3	-69.1	-0.8	0	0	0	105	Q219 N223	Q219-W221 VanDerWaalsContact C-N 3.32Å; Q219-W221 PolarHBondContact O-N 2.96Å; W221-N223 PolarHBondContact O-N 2.95Å; W221-N223 VanDerWaalsContact O-N 3.13Å
222	S	36	Very low	45.3	Very low	84 Å²	84	135 Å²	135	59%	0.587	73%	0.729	S	S	*	*			trans	-57.6	116	162.4	46.4	0	0	0	0	105.7	Q220 Q224	Q220-S222 PolarHBondContact O-N 2.99Å; S222-Q224 PolarHBondContact O-N 2.92Å
223	N	40.3	Very low	47.1	Very low	150 Å²	150	135.6 Å²	135.6	80%	0.802	72%	0.724	S	S	*	*			trans	-62.1	78.2	163.3	-63.9	-42.2	0	0	0	107.1	W221	W221-N223 PolarHBondContact O-N 2.95Å; W221-N223 VanDerWaalsContact O-N 3.13Å
224	Q	42.5	Very low	49	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.762	72%	0.72	S	S	*	*			trans	-97.3	104	160.5	-84.5	-174	13	0	0	105.8	S222 G226	S222-Q224 PolarHBondContact O-N 2.92Å; Q224-G226 PolarHBondContact O-N 3.11Å
225	D	41.4	Very low	50.8	Low	165 Å²	165	133.7 Å²	133.7	88%	0.882	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.2	131	173.8	-70	-50	0	0	0	110.9
226	G	42.7	Very low	53	Low	82 Å²	82	135.6 Å²	135.6	85%	0.845	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.6	5.4	148.6	0	0	0	0	0	119.4	Q224	Q224-G226 PolarHBondContact O-N 3.11Å
227	S	47.7	Very low	55	Low	109 Å²	109	133 Å²	133	76%	0.762	68%	0.675	S	S	*	*			trans	-86.4	117.3	167.4	63.4	0	0	0	0	110.6	D229	S227-D229 PolarHBondContact O-N 3.18Å
228	D	53.6	Low	57.1	Low	155 Å²	155	127 Å²	127	83%	0.829	66%	0.657	S	S	*	*			trans	-58	103.5	171.9	-127.2	-17.1	0	0	0	108.1	Q230	D228-Q230 VanDerWaalsContact C-N 3.28Å; D228-Q230 PolarHBondContact O-N 2.97Å
229	D	63.6	Low	59.1	Low	72 Å²	72	125.1 Å²	125.1	39%	0.385	64%	0.638	S	S	.	*			trans	-67	88.3	176.9	-177.9	25.7	0	0	0	107.8	S227 R231 R236	S227-D229 PolarHBondContact O-N 3.18Å; D229-R231 PolarHBondContact O-N 2.86Å; D229-R231 WeakPolarHBondContact OD1-CD 3.44Å; D229-R231 WeakPolarHBondContact OD1-CG 3.37Å; D229-R231 IonicContact OD1-NE 3.99Å; D229-R236 IonicContact OD2-CZ 3.88Å; D229-R236 IonicContact OD2-NE 3.9Å; D229-R236 PolarHBondContact OD2-NE 2.84Å; D229-R236 IonicContact OD2-NH2 2.91Å; D229-R236 PolarHBondContact OD2-NH2 3.15Å
230	Q	66.8	Low	61.1	Low	190 Å²	190	122.1 Å²	122.1	89%	0.888	63%	0.626	S	S	*	*			trans	-65.3	10	-178	-75.7	-172.8	3.2	0	0	114.5	D228 S232	D228-Q230 VanDerWaalsContact C-N 3.28Å; D228-Q230 PolarHBondContact O-N 2.97Å; Q230-S232 PolarHBondContact O-N 2.78Å
231	R	77.3	Confident	63.2	Low	130 Å²	130	119.5 Å²	119.5	49%	0.491	61%	0.613	S	S	.	*			trans	-67.5	134	175.3	-72.1	-178.4	-173.3	-154.9	3.8	109.4	D229 D235 R236 M239	D229-R231 PolarHBondContact O-N 2.86Å; D229-R231 WeakPolarHBondContact OD1-CD 3.44Å; D229-R231 WeakPolarHBondContact OD1-CG 3.37Å; D229-R231 IonicContact OD1-NE 3.99Å; R231-D235 HydrophobicContact CB-CB 4.09Å; R231-R236 HydrophobicContact CB-CG 4.13Å; R231-M239 PolarHBondContact NH1-SD 3.45Å
232	S	80.7	Confident	65.1	Low	56 Å²	56	111.6 Å²	111.6	39%	0.392	59%	0.593	S	S	.	*			trans	-60.7	154.1	173	67.9	0	0	0	0	109.7	Q230 E234 D235 R236	Q230-S232 PolarHBondContact O-N 2.78Å; S232-E234 PolarHBondContact O-N 3.39Å; S232-E234 VanDerWaalsContact O-N 3.16Å; S232-D235 WeakPolarHBondContact CB-OD2 3.31Å; S232-D235 PolarHBondContact N-OD2 3.2Å; S232-D235 VanDerWaalsContact N-OD2 3.13Å; S232-D235 WeakPolarHBondContact O-CB 3.42Å; S232-D235 PolarHBondContact O-N 3.34Å; S232-D235 VanDerWaalsContact O-N 3.07Å; S232-D235 PolarHBondContact OG-N 3.22Å; S232-D235 VanDerWaalsContact OG-N 3.12Å; S232-D235 PolarHBondContact OG-OD2 3.4Å; S232-R236 WeakPolarHBondContact O-CG 3.36Å; S232-R236 PolarHBondContact O-N 3.49Å
233	D	75.5	Confident	67.3	Low	111 Å²	111	111.6 Å²	111.6	59%	0.594	59%	0.59	S	S	*	*	H	α-helix	trans	-54.9	-33.7	173.7	-74.2	-26.8	0	0	0	110.9	R236 F237	D233-R236 WeakPolarHBondContact O-CB 3.27Å; D233-R236 PolarHBondContact O-N 3.19Å; D233-F237 HydrophobicContact CB-CD2 4.38Å; D233-F237 HydrophobicContact CB-CE2 4.16Å; D233-F237 WeakPolarHBondContact O-CD2 3.34Å; D233-F237 PolarHBondContact O-N 3.34Å
234	E	76.5	Confident	69.3	Low	123 Å²	123	109.1 Å²	109.1	58%	0.575	58%	0.576	S	S	*	*	H	α-helix	trans	-62.3	-48.6	174.9	-163.4	62.4	-150.5	0	0	112.2	S232 R236 F237 E238	S232-E234 PolarHBondContact O-N 3.39Å; S232-E234 VanDerWaalsContact O-N 3.16Å; E234-R236 PolarHBondContact O-N 3.12Å; E234-F237 PolarHBondContact O-N 3.17Å; E234-F237 VanDerWaalsContact O-N 3.11Å; E234-E238 WeakPolarHBondContact O-CG 3.34Å; E234-E238 PolarHBondContact O-N 2.83Å
235	D	75.6	Confident	71	Confident	76 Å²	76	105.7 Å²	105.7	41%	0.406	56%	0.56	S	S	.	*	H	α-helix	trans	-58.7	-35.9	175.6	-64.5	-53.8	0	0	0	111.5	R231 S232 M239	R231-D235 HydrophobicContact CB-CB 4.09Å; S232-D235 WeakPolarHBondContact CB-OD2 3.31Å; S232-D235 PolarHBondContact N-OD2 3.2Å; S232-D235 VanDerWaalsContact N-OD2 3.13Å; S232-D235 WeakPolarHBondContact O-CB 3.42Å; S232-D235 PolarHBondContact O-N 3.34Å; S232-D235 VanDerWaalsContact O-N 3.07Å; S232-D235 PolarHBondContact OG-N 3.22Å; S232-D235 VanDerWaalsContact OG-N 3.12Å; S232-D235 PolarHBondContact OG-OD2 3.4Å; D235-M239 VanDerWaalsContact O-CB 3.32Å; D235-M239 WeakPolarHBondContact O-CB 3.45Å; D235-M239 PolarHBondContact O-N 2.78Å
236	R	78.2	Confident	72.8	Confident	105 Å²	105	98.7 Å²	98.7	40%	0.396	53%	0.527	S	S	.	.	H	α-helix	trans	-68.1	-45.6	176	-66.9	176.5	130.7	-176.2	1	111.1	D229 R231 S232 D233 E234 M239 I240	D229-R236 IonicContact OD2-CZ 3.88Å; D229-R236 IonicContact OD2-NE 3.9Å; D229-R236 PolarHBondContact OD2-NE 2.84Å; D229-R236 IonicContact OD2-NH2 2.91Å; D229-R236 PolarHBondContact OD2-NH2 3.15Å; R231-R236 HydrophobicContact CB-CG 4.13Å; S232-R236 WeakPolarHBondContact O-CG 3.36Å; S232-R236 PolarHBondContact O-N 3.49Å; D233-R236 WeakPolarHBondContact O-CB 3.27Å; D233-R236 PolarHBondContact O-N 3.19Å; E234-R236 PolarHBondContact O-N 3.12Å; R236-M239 PolarHBondContact O-N 2.81Å; R236-I240 WeakPolarHBondContact O-CD1 3.42Å; R236-I240 VanDerWaalsContact O-CG1 3.23Å; R236-I240 WeakPolarHBondContact O-CG1 3.31Å; R236-I240 PolarHBondContact O-N 2.81Å
237	F	78.7	Confident	74.7	Confident	131 Å²	131	97.3 Å²	97.3	58%	0.575	50%	0.5	S	S	*	.	H	α-helix	trans	-63.6	-42.4	176.3	-76.5	-62.6	0	0	0	112	D233 E234 M239 I240 H241	D233-F237 HydrophobicContact CB-CD2 4.38Å; D233-F237 HydrophobicContact CB-CE2 4.16Å; D233-F237 WeakPolarHBondContact O-CD2 3.34Å; D233-F237 PolarHBondContact O-N 3.34Å; E234-F237 PolarHBondContact O-N 3.17Å; E234-F237 VanDerWaalsContact O-N 3.11Å; F237-M239 VanDerWaalsContact C-N 3.34Å; F237-M239 PolarHBondContact O-N 2.97Å; F237-I240 PolarHBondContact O-N 3.07Å; F237-H241 WeakPolarHBondContact O-CB 3.31Å; F237-H241 PolarHBondContact O-N 2.79Å
238	E	78.7	Confident	76.1	Confident	106 Å²	106	94.9 Å²	94.9	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-43.2	175.7	-74.4	-161.3	165.3	0	0	111.7	E234 H241 A242	E234-E238 WeakPolarHBondContact O-CG 3.34Å; E234-E238 PolarHBondContact O-N 2.83Å; E238-H241 PolarHBondContact O-N 3.26Å; E238-A242 WeakPolarHBondContact O-CB 3.01Å; E238-A242 PolarHBondContact O-N 2.96Å
239	M	76.5	Confident	77.3	Confident	75 Å²	75	87.8 Å²	87.8	37%	0.369	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-44.1	177	-174.5	175.5	60.1	0	0	111.4	R231 D235 R236 F237 H241 A242 V243	R231-M239 PolarHBondContact NH1-SD 3.45Å; D235-M239 VanDerWaalsContact O-CB 3.32Å; D235-M239 WeakPolarHBondContact O-CB 3.45Å; D235-M239 PolarHBondContact O-N 2.78Å; R236-M239 PolarHBondContact O-N 2.81Å; F237-M239 VanDerWaalsContact C-N 3.34Å; F237-M239 PolarHBondContact O-N 2.97Å; M239-H241 VanDerWaalsContact C-N 3.35Å; M239-A242 PolarHBondContact O-N 3.48Å; M239-V243 VanDerWaalsContact O-CG2 3.3Å; M239-V243 WeakPolarHBondContact O-CG2 3.44Å; M239-V243 PolarHBondContact O-N 3.34Å
240	I	81.3	Confident	78	Confident	89 Å²	89	87 Å²	87	46%	0.456	44%	0.439	S	S	.	.	H	α-helix	trans	-60.4	-46.7	175.1	-69.3	164.1	0	0	0	110.1	R236 F237 A242 V243 L244	R236-I240 WeakPolarHBondContact O-CD1 3.42Å; R236-I240 VanDerWaalsContact O-CG1 3.23Å; R236-I240 WeakPolarHBondContact O-CG1 3.31Å; R236-I240 PolarHBondContact O-N 2.81Å; F237-I240 PolarHBondContact O-N 3.07Å; I240-A242 PolarHBondContact O-N 3.39Å; I240-V243 PolarHBondContact O-N 2.92Å; I240-L244 HydrophobicContact CG2-CD1 3.76Å; I240-L244 HydrophobicContact CG2-CG 4.21Å; I240-L244 WeakPolarHBondContact O-CB 3.46Å; I240-L244 VanDerWaalsContact O-CG 3.32Å; I240-L244 WeakPolarHBondContact O-CG 3.48Å; I240-L244 PolarHBondContact O-N 2.86Å
241	H	76.4	Confident	78.7	Confident	122 Å²	122	79.3 Å²	79.3	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-63.4	-42.1	-179.8	-168.1	-75.9	0	0	0	111.8	F237 E238 M239 V243 L244 Q245	F237-H241 WeakPolarHBondContact O-CB 3.31Å; F237-H241 PolarHBondContact O-N 2.79Å; E238-H241 PolarHBondContact O-N 3.26Å; M239-H241 VanDerWaalsContact C-N 3.35Å; H241-V243 VanDerWaalsContact C-N 3.34Å; H241-V243 PolarHBondContact O-N 2.81Å; H241-L244 PolarHBondContact O-N 3.37Å; H241-Q245 VanDerWaalsContact O-CB 3.26Å; H241-Q245 WeakPolarHBondContact O-CB 3.01Å; H241-Q245 PolarHBondContact O-N 3.32Å
242	A	77.6	Confident	78.8	Confident	49 Å²	49	79 Å²	79	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-41.5	176.3	0	0	0	0	0	112.1	E238 M239 I240 G246	E238-A242 WeakPolarHBondContact O-CB 3.01Å; E238-A242 PolarHBondContact O-N 2.96Å; M239-A242 PolarHBondContact O-N 3.48Å; I240-A242 PolarHBondContact O-N 3.39Å; A242-G246 PolarHBondContact O-N 2.99Å
243	V	81.5	Confident	78.7	Confident	84 Å²	84	82.3 Å²	82.3	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-47.6	175.8	172.3	0	0	0	0	110.9	M239 I240 H241 Q245 G246 L247	M239-V243 VanDerWaalsContact O-CG2 3.3Å; M239-V243 WeakPolarHBondContact O-CG2 3.44Å; M239-V243 PolarHBondContact O-N 3.34Å; I240-V243 PolarHBondContact O-N 2.92Å; H241-V243 VanDerWaalsContact C-N 3.34Å; H241-V243 PolarHBondContact O-N 2.81Å; V243-Q245 PolarHBondContact O-N 3.48Å; V243-G246 PolarHBondContact O-N 2.99Å; V243-L247 HydrophobicContact CG1-CD1 4.15Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.18Å
244	L	83.2	Confident	78.8	Confident	99 Å²	99	79 Å²	79	52%	0.518	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-40.3	179.2	-71.6	177	0	0	0	112.4	I240 H241 L247 S248	I240-L244 HydrophobicContact CG2-CD1 3.76Å; I240-L244 HydrophobicContact CG2-CG 4.21Å; I240-L244 WeakPolarHBondContact O-CB 3.46Å; I240-L244 VanDerWaalsContact O-CG 3.32Å; I240-L244 WeakPolarHBondContact O-CG 3.48Å; I240-L244 PolarHBondContact O-N 2.86Å; H241-L244 PolarHBondContact O-N 3.37Å; L244-L247 PolarHBondContact O-N 2.85Å; L244-S248 WeakPolarHBondContact O-CB 3.49Å; L244-S248 PolarHBondContact O-N 3.47Å; L244-S248 PolarHBondContact O-OG 3.19Å
245	Q	77.9	Confident	78.6	Confident	90 Å²	90	81.4 Å²	81.4	42%	0.421	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-46.3	174.3	-172.6	65.2	46.9	0	0	110.4	H241 V243 L247 S248 D249	H241-Q245 VanDerWaalsContact O-CB 3.26Å; H241-Q245 WeakPolarHBondContact O-CB 3.01Å; H241-Q245 PolarHBondContact O-N 3.32Å; V243-Q245 PolarHBondContact O-N 3.48Å; Q245-L247 VanDerWaalsContact C-N 3.32Å; Q245-L247 PolarHBondContact O-N 3.47Å; Q245-S248 WeakPolarHBondContact O-CB 3.33Å; Q245-S248 PolarHBondContact O-N 3.17Å; Q245-S248 VanDerWaalsContact O-N 3.15Å; Q245-D249 PolarHBondContact NE2-OD1 2.9Å; Q245-D249 WeakPolarHBondContact O-CB 3.41Å; Q245-D249 PolarHBondContact O-N 3.23Å
246	G	79.5	Confident	78.5	Confident	18 Å²	18	80.1 Å²	80.1	19%	0.186	41%	0.413	C	S	.	.	H	α-helix	trans	-61.8	-37.4	177.5	0	0	0	0	0	113.7	A242 V243 H250	A242-G246 PolarHBondContact O-N 2.99Å; V243-G246 PolarHBondContact O-N 2.99Å; G246-H250 WeakPolarHBondContact O-CB 3.45Å; G246-H250 PolarHBondContact O-N 3.38Å
247	L	81.5	Confident	78.1	Confident	54 Å²	54	80.9 Å²	80.9	28%	0.283	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-43.2	172.7	-72.5	172.9	0	0	0	111.5	V243 L244 Q245 H250 L251	V243-L247 HydrophobicContact CG1-CD1 4.15Å; V243-L247 WeakPolarHBondContact O-CG 3.44Å; V243-L247 PolarHBondContact O-N 3.18Å; L244-L247 PolarHBondContact O-N 2.85Å; Q245-L247 VanDerWaalsContact C-N 3.32Å; Q245-L247 PolarHBondContact O-N 3.47Å; L247-H250 PolarHBondContact O-N 3.45Å; L247-L251 WeakPolarHBondContact O-CB 3.31Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.25Å; L247-L251 PolarHBondContact O-N 2.86Å
248	S	77.7	Confident	78	Confident	57 Å²	57	77.3 Å²	77.3	40%	0.399	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-45.4	177.6	-56.9	0	0	0	0	111.2	L244 Q245 H250 L251 L252	L244-S248 WeakPolarHBondContact O-CB 3.49Å; L244-S248 PolarHBondContact O-N 3.47Å; L244-S248 PolarHBondContact O-OG 3.19Å; Q245-S248 WeakPolarHBondContact O-CB 3.33Å; Q245-S248 PolarHBondContact O-N 3.17Å; Q245-S248 VanDerWaalsContact O-N 3.15Å; S248-H250 VanDerWaalsContact C-N 3.31Å; S248-H250 PolarHBondContact O-N 3.42Å; S248-L251 PolarHBondContact O-N 3.39Å; S248-L252 WeakPolarHBondContact O-CB 3.06Å; S248-L252 VanDerWaalsContact O-CG 3.28Å; S248-L252 WeakPolarHBondContact O-CG 3.46Å; S248-L252 PolarHBondContact O-N 3.45Å
249	D	79	Confident	78	Confident	7 Å²	7	75.6 Å²	75.6	4%	0.037	41%	0.41	C	S	.	.	H	α-helix	trans	-61	-40.4	176	-64.7	-14	0	0	0	111.5	R105 W145 Q245 L252 R253	R105-D249 IonicContact NH2-OD2 2.68Å; W145-D249 VanDerWaalsContact CD1-OD1 3.29Å; W145-D249 VanDerWaalsContact CD1-OD2 3.25Å; W145-D249 HydrophobicContact CG-CB 4.34Å; W145-D249 PolarHBondContact NE1-OD2 3.23Å; Q245-D249 PolarHBondContact NE2-OD1 2.9Å; Q245-D249 WeakPolarHBondContact O-CB 3.41Å; Q245-D249 PolarHBondContact O-N 3.23Å; D249-L252 PolarHBondContact O-N 2.95Å; D249-R253 WeakPolarHBondContact O-CG 3.32Å; D249-R253 PolarHBondContact O-N 3.36Å
250	H	78.7	Confident	78.1	Confident	56 Å²	56	76.6 Å²	76.6	26%	0.259	42%	0.417	S	S	.	.	H	α-helix	trans	-66.9	-44.5	177.2	-176.8	58.1	0	0	0	111.4	G246 L247 S248 L252 R253	G246-H250 WeakPolarHBondContact O-CB 3.45Å; G246-H250 PolarHBondContact O-N 3.38Å; L247-H250 PolarHBondContact O-N 3.45Å; S248-H250 VanDerWaalsContact C-N 3.31Å; S248-H250 PolarHBondContact O-N 3.42Å; H250-L252 VanDerWaalsContact C-N 3.31Å; H250-L252 PolarHBondContact O-N 2.99Å; H250-R253 PolarHBondContact O-N 2.78Å; H250-R253 VanDerWaalsContact O-N 3.16Å
251	L	79.9	Confident	78	Confident	28 Å²	28	75.4 Å²	75.4	15%	0.147	42%	0.42	C	S	.	.	H	α-helix	trans	-61.7	-38.7	176.1	-73.5	174.3	0	0	0	111.9	L247 S248 R253 L254 F259 R262 L266	L247-L251 WeakPolarHBondContact O-CB 3.31Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.25Å; L247-L251 PolarHBondContact O-N 2.86Å; S248-L251 PolarHBondContact O-N 3.39Å; L251-R253 PolarHBondContact O-N 2.8Å; L251-L254 PolarHBondContact O-N 3.17Å; L251-F259 HydrophobicContact CB-CD2 4.36Å; L251-F259 HydrophobicContact CB-CE2 4.03Å; L251-F259 HydrophobicContact CD2-CD2 4.25Å; L251-F259 HydrophobicContact CD2-CE2 4.25Å; L251-F259 WeakPolarHBondContact O-CD2 3.43Å; L251-R262 HydrophobicContact CD2-CB 4.16Å; L251-R262 HydrophobicContact CD2-CG 3.89Å; L251-L266 HydrophobicContact CD1-CD1 3.9Å; L251-L266 HydrophobicContact CD2-CD1 4.28Å; L251-L266 HydrophobicContact CG-CD1 4.49Å
252	L	79.6	Confident	78.2	Confident	123 Å²	123	73.1 Å²	73.1	64%	0.644	41%	0.407	S	S	*	.	H	α-helix	trans	-65.3	-21.3	176.8	-75	169.1	0	0	0	113.7	S248 D249 H250	S248-L252 WeakPolarHBondContact O-CB 3.06Å; S248-L252 VanDerWaalsContact O-CG 3.28Å; S248-L252 WeakPolarHBondContact O-CG 3.46Å; S248-L252 PolarHBondContact O-N 3.45Å; D249-L252 PolarHBondContact O-N 2.95Å; H250-L252 VanDerWaalsContact C-N 3.31Å; H250-L252 PolarHBondContact O-N 2.99Å
253	R	78.8	Confident	78.4	Confident	125 Å²	125	73.8 Å²	73.8	47%	0.472	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12	175.8	-67.3	-175.1	-144.4	160.4	12.1	113.7	W145 D249 H250 L251	W145-R253 VanDerWaalsContact CE2-NH2 3.28Å; W145-R253 VanDerWaalsContact CH2-NH2 3.34Å; D249-R253 WeakPolarHBondContact O-CG 3.32Å; D249-R253 PolarHBondContact O-N 3.36Å; H250-R253 PolarHBondContact O-N 2.78Å; H250-R253 VanDerWaalsContact O-N 3.16Å; L251-R253 PolarHBondContact O-N 2.8Å
254	L	77	Confident	78.6	Confident	41 Å²	41	73.8 Å²	73.8	22%	0.215	40%	0.404	C	S	.	.			trans	-92	125	-180	-60.7	177.1	0	0	0	108.9	L251 P258 F259 R262	L251-L254 PolarHBondContact O-N 3.17Å; L254-P258 HydrophobicContact CB-CG 4.41Å; L254-P258 HydrophobicContact CD2-CB 4.19Å; L254-F259 HydrophobicContact CB-CB 3.99Å; L254-R262 HydrophobicContact CD1-CB 4.06Å; L254-R262 HydrophobicContact CD1-CG 4.31Å
255	E	73	Confident	78.7	Confident	175 Å²	175	73.2 Å²	73.2	82%	0.818	40%	0.398	S	S	*	.			trans	-110.3	137.7	172	-67.2	-174	174.4	0	0	110.2	P258	E255-P258 WeakPolarHBondContact O-CD 3.08Å; E255-P258 WeakPolarHBondContact O-CG 3.27Å
256	G	73	Confident	78.9	Confident	49 Å²	49	71 Å²	71	51%	0.505	39%	0.389	S	S	.	.	S	Bend	trans	75	-140.5	173.4	0	0	0	0	0	114.9	F259 D260	G256-F259 WeakPolarHBondContact O-CB 3.29Å; G256-F259 PolarHBondContact O-N 3.25Å; G256-D260 PolarHBondContact O-N 3.16Å
257	T	70.5	Confident	79.1	Confident	120 Å²	120	75.7 Å²	75.7	74%	0.736	41%	0.406	S	S	*	.	H	α-helix	trans	-52	-36.8	-176	59.4	0	0	0	0	116	F259 D260 A261	T257-F259 VanDerWaalsContact C-N 3.3Å; T257-F259 PolarHBondContact O-N 3.39Å; T257-D260 PolarHBondContact O-N 3.35Å; T257-A261 WeakPolarHBondContact O-CB 3.42Å; T257-A261 PolarHBondContact O-N 3.03Å; T257-A261 VanDerWaalsContact O-N 3.15Å
258	P	76.9	Confident	79.2	Confident	57 Å²	57	78.3 Å²	78.3	37%	0.37	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-28.9	176.8	26.7	-37.7	0	0	0	113.3	L254 E255 R262	L254-P258 HydrophobicContact CB-CG 4.41Å; L254-P258 HydrophobicContact CD2-CB 4.19Å; E255-P258 WeakPolarHBondContact O-CD 3.08Å; E255-P258 WeakPolarHBondContact O-CG 3.27Å; P258-R262 WeakPolarHBondContact O-CB 3.32Å; P258-R262 PolarHBondContact O-N 3.49Å; P258-R262 VanDerWaalsContact O-N 3.16Å
259	F	78.3	Confident	79.5	Confident	69 Å²	69	81 Å²	81	30%	0.303	43%	0.426	S	S	.	.	H	α-helix	trans	-66.9	-50.1	176	175.9	-92.7	0	0	0	110.8	L251 L254 G256 T257 A261 R262 L263	L251-F259 HydrophobicContact CB-CD2 4.36Å; L251-F259 HydrophobicContact CB-CE2 4.03Å; L251-F259 HydrophobicContact CD2-CD2 4.25Å; L251-F259 HydrophobicContact CD2-CE2 4.25Å; L251-F259 WeakPolarHBondContact O-CD2 3.43Å; L254-F259 HydrophobicContact CB-CB 3.99Å; G256-F259 WeakPolarHBondContact O-CB 3.29Å; G256-F259 PolarHBondContact O-N 3.25Å; T257-F259 VanDerWaalsContact C-N 3.3Å; T257-F259 PolarHBondContact O-N 3.39Å; F259-A261 PolarHBondContact O-N 3.2Å; F259-R262 PolarHBondContact O-N 2.89Å; F259-L263 HydrophobicContact CE1-CD2 3.97Å; F259-L263 HydrophobicContact CZ-CD2 4.4Å; F259-L263 WeakPolarHBondContact O-CB 3.36Å; F259-L263 PolarHBondContact O-N 2.93Å
260	D	78	Confident	79.6	Confident	97 Å²	97	84.7 Å²	84.7	52%	0.519	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-39.6	-177.8	-69.1	-33.9	0	0	0	112.3	G256 T257 L263 T264	G256-D260 PolarHBondContact O-N 3.16Å; T257-D260 PolarHBondContact O-N 3.35Å; D260-L263 PolarHBondContact O-N 3.46Å; D260-T264 WeakPolarHBondContact O-CB 3.4Å; D260-T264 PolarHBondContact O-N 3.48Å; D260-T264 PolarHBondContact O-OG1 3.4Å
261	A	81.1	Confident	79.7	Confident	63 Å²	63	91.2 Å²	91.2	52%	0.521	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-46.2	174.9	0	0	0	0	0	111.3	T257 F259 T264 E265	T257-A261 WeakPolarHBondContact O-CB 3.42Å; T257-A261 PolarHBondContact O-N 3.03Å; T257-A261 VanDerWaalsContact O-N 3.15Å; F259-A261 PolarHBondContact O-N 3.2Å; A261-T264 PolarHBondContact O-N 3.02Å; A261-E265 PolarHBondContact O-N 3.46Å
262	R	78.8	Confident	79.8	Confident	75 Å²	75	96.4 Å²	96.4	28%	0.283	49%	0.489	S	S	.	.	H	α-helix	trans	-69	-37.6	180	-167.7	60.8	175.3	176.1	2.7	112.4	L251 L254 P258 F259 T264 E265 L266	L251-R262 HydrophobicContact CD2-CB 4.16Å; L251-R262 HydrophobicContact CD2-CG 3.89Å; L254-R262 HydrophobicContact CD1-CB 4.06Å; L254-R262 HydrophobicContact CD1-CG 4.31Å; P258-R262 WeakPolarHBondContact O-CB 3.32Å; P258-R262 PolarHBondContact O-N 3.49Å; P258-R262 VanDerWaalsContact O-N 3.16Å; F259-R262 PolarHBondContact O-N 2.89Å; R262-T264 VanDerWaalsContact C-N 3.32Å; R262-E265 WeakPolarHBondContact CD-OE2 3.38Å; R262-E265 IonicContact CZ-OE1 3.57Å; R262-E265 IonicContact CZ-OE2 2.8Å; R262-E265 IonicContact NE-OE2 2.8Å; R262-E265 IonicContact NH1-OE1 2.65Å; R262-E265 PolarHBondContact NH1-OE1 3.46Å; R262-E265 IonicContact NH1-OE2 3.67Å; R262-E265 PolarHBondContact NH1-OE2 2.91Å; R262-E265 PolarHBondContact O-N 3.29Å; R262-L266 WeakPolarHBondContact O-CG 3.37Å; R262-L266 PolarHBondContact O-N 3.08Å
263	L	83.3	Confident	79.7	Confident	62 Å²	62	97.1 Å²	97.1	33%	0.325	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-39.9	174.6	-171.9	65.5	0	0	0	111.3	F259 D260 L266 H267	F259-L263 HydrophobicContact CE1-CD2 3.97Å; F259-L263 HydrophobicContact CZ-CD2 4.4Å; F259-L263 WeakPolarHBondContact O-CB 3.36Å; F259-L263 PolarHBondContact O-N 2.93Å; D260-L263 PolarHBondContact O-N 3.46Å; L263-L266 PolarHBondContact O-N 3.16Å; L263-H267 PolarHBondContact O-N 2.8Å
264	T	84.3	Confident	79.6	Confident	84 Å²	84	95.7 Å²	95.7	52%	0.515	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-44.2	175.5	-58.2	0	0	0	0	111.6	D260 A261 R262 L266 H267 M268	D260-T264 WeakPolarHBondContact O-CB 3.4Å; D260-T264 PolarHBondContact O-N 3.48Å; D260-T264 PolarHBondContact O-OG1 3.4Å; A261-T264 PolarHBondContact O-N 3.02Å; R262-T264 VanDerWaalsContact C-N 3.32Å; T264-L266 PolarHBondContact O-N 3Å; T264-H267 PolarHBondContact O-N 2.68Å; T264-M268 WeakPolarHBondContact O-CG 3.35Å; T264-M268 PolarHBondContact O-N 3.38Å
265	E	84.9	Confident	79.7	Confident	87 Å²	87	97.3 Å²	97.3	41%	0.407	50%	0.501	S	S	.	.	H	α-helix	trans	-59.5	-45.6	175.1	-171.1	-171.9	163.2	0	0	111.8	A261 R262 H267 M268 M269	A261-E265 PolarHBondContact O-N 3.46Å; R262-E265 WeakPolarHBondContact CD-OE2 3.38Å; R262-E265 IonicContact CZ-OE1 3.57Å; R262-E265 IonicContact CZ-OE2 2.8Å; R262-E265 IonicContact NE-OE2 2.8Å; R262-E265 IonicContact NH1-OE1 2.65Å; R262-E265 PolarHBondContact NH1-OE1 3.46Å; R262-E265 IonicContact NH1-OE2 3.67Å; R262-E265 PolarHBondContact NH1-OE2 2.91Å; R262-E265 PolarHBondContact O-N 3.29Å; E265-H267 PolarHBondContact O-N 3.25Å; E265-M268 WeakPolarHBondContact O-CB 3.47Å; E265-M268 PolarHBondContact O-N 2.72Å; E265-M269 WeakPolarHBondContact O-CG 3.38Å; E265-M269 PolarHBondContact O-N 3.26Å
266	L	84.2	Confident	79.9	Confident	45 Å²	45	99.1 Å²	99.1	24%	0.236	50%	0.501	C	S	.	.	H	α-helix	trans	-61.6	-42.8	175.8	-75.8	172.3	0	0	0	112	L251 R262 L263 T264 M268 M269 L270	L251-L266 HydrophobicContact CD1-CD1 3.9Å; L251-L266 HydrophobicContact CD2-CD1 4.28Å; L251-L266 HydrophobicContact CG-CD1 4.49Å; R262-L266 WeakPolarHBondContact O-CG 3.37Å; R262-L266 PolarHBondContact O-N 3.08Å; L263-L266 PolarHBondContact O-N 3.16Å; T264-L266 PolarHBondContact O-N 3Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.26Å; L266-M269 PolarHBondContact O-N 3Å; L266-L270 PolarHBondContact O-N 3.43Å
267	H	83.1	Confident	79.5	Confident	116 Å²	116	98.2 Å²	98.2	54%	0.537	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-40	173.7	-92.5	-168.1	0	0	0	112.5	L263 T264 E265 L270 R271	L263-H267 PolarHBondContact O-N 2.8Å; T264-H267 PolarHBondContact O-N 2.68Å; E265-H267 PolarHBondContact O-N 3.25Å; H267-L270 PolarHBondContact O-N 3.4Å; H267-R271 WeakPolarHBondContact O-CG 3.37Å; H267-R271 PolarHBondContact O-N 2.75Å
268	M	83.5	Confident	78.9	Confident	109 Å²	109	97.3 Å²	97.3	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-41.3	175.1	-71.9	-173.5	73.7	0	0	112	T264 E265 L266 R271 K272	T264-M268 WeakPolarHBondContact O-CG 3.35Å; T264-M268 PolarHBondContact O-N 3.38Å; E265-M268 WeakPolarHBondContact O-CB 3.47Å; E265-M268 PolarHBondContact O-N 2.72Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.26Å; M268-R271 PolarHBondContact O-N 3.43Å; M268-K272 WeakPolarHBondContact O-CG 3.33Å; M268-K272 PolarHBondContact O-N 2.78Å
269	M	83.3	Confident	78	Confident	112 Å²	112	103 Å²	103	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-63	-44	175.1	-71.4	-178.2	66.7	0	0	111.9	E265 L266 R271 K272 W273	E265-M269 WeakPolarHBondContact O-CG 3.38Å; E265-M269 PolarHBondContact O-N 3.26Å; L266-M269 PolarHBondContact O-N 3Å; M269-R271 PolarHBondContact O-N 2.89Å; M269-K272 PolarHBondContact O-N 3.37Å; M269-W273 WeakPolarHBondContact O-CB 3.37Å; M269-W273 PolarHBondContact O-N 2.96Å
270	L	80.7	Confident	76.8	Confident	85 Å²	85	107.5 Å²	107.5	45%	0.445	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-44.5	177.4	-176.6	64.6	0	0	0	111.4	L266 H267 K272 W273 Q274	L266-L270 PolarHBondContact O-N 3.43Å; H267-L270 PolarHBondContact O-N 3.4Å; L270-K272 PolarHBondContact O-N 3.24Å; L270-W273 HydrophobicContact CD1-CE3 4.3Å; L270-W273 PolarHBondContact O-N 3.3Å; L270-Q274 WeakPolarHBondContact O-CB 3.4Å; L270-Q274 WeakPolarHBondContact O-CG 3.09Å; L270-Q274 PolarHBondContact O-N 3.39Å
271	R	81.2	Confident	75.6	Confident	193 Å²	193	110.3 Å²	110.3	73%	0.728	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-43.5	175	-77.4	-171.3	177.8	179.6	1.4	112.2	H267 M268 M269 W273 Q274 A275	H267-R271 WeakPolarHBondContact O-CG 3.37Å; H267-R271 PolarHBondContact O-N 2.75Å; M268-R271 PolarHBondContact O-N 3.43Å; M269-R271 PolarHBondContact O-N 2.89Å; R271-W273 VanDerWaalsContact C-N 3.34Å; R271-W273 PolarHBondContact O-N 3.26Å; R271-Q274 PolarHBondContact O-N 2.83Å; R271-A275 WeakPolarHBondContact O-CB 3.35Å; R271-A275 PolarHBondContact O-N 3.5Å
272	K	82.7	Confident	74	Confident	138 Å²	138	113.8 Å²	113.8	60%	0.6	54%	0.541	S	S	*	.	H	α-helix	trans	-61.3	-41.7	175.4	-74.8	176.8	-179.5	-179.5	0	111.6	M268 M269 L270 A275 R276	M268-K272 WeakPolarHBondContact O-CG 3.33Å; M268-K272 PolarHBondContact O-N 2.78Å; M269-K272 PolarHBondContact O-N 3.37Å; L270-K272 PolarHBondContact O-N 3.24Å; K272-A275 PolarHBondContact O-N 3.41Å; K272-R276 WeakPolarHBondContact O-CG 3.42Å; K272-R276 PolarHBondContact O-N 3.25Å; K272-R276 VanDerWaalsContact O-N 3.11Å
273	W	76.8	Confident	72.3	Confident	138 Å²	138	114.9 Å²	114.9	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-43.5	177.5	179.9	83	0	0	0	112.4	M269 L270 R271 A275 R276 S277 F280	M269-W273 WeakPolarHBondContact O-CB 3.37Å; M269-W273 PolarHBondContact O-N 2.96Å; L270-W273 HydrophobicContact CD1-CE3 4.3Å; L270-W273 PolarHBondContact O-N 3.3Å; R271-W273 VanDerWaalsContact C-N 3.34Å; R271-W273 PolarHBondContact O-N 3.26Å; W273-A275 VanDerWaalsContact C-N 3.28Å; W273-A275 PolarHBondContact O-N 3.28Å; W273-R276 PolarHBondContact O-N 3.13Å; W273-R276 VanDerWaalsContact O-N 3.15Å; W273-S277 WeakPolarHBondContact O-CB 3.32Å; W273-S277 PolarHBondContact O-N 3.14Å; W273-S277 PolarHBondContact O-OG 3.19Å; W273-S277 VanDerWaalsContact O-OG 3.1Å; W273-F280 HydrophobicContact CH2-CD2 4.32Å
274	Q	76.7	Confident	70.2	Confident	94 Å²	94	115.8 Å²	115.8	44%	0.439	59%	0.587	S	S	.	*	H	α-helix	trans	-63.4	-33	174.5	-73.5	176.4	-19.1	0	0	112.6	L270 R271	L270-Q274 WeakPolarHBondContact O-CB 3.4Å; L270-Q274 WeakPolarHBondContact O-CG 3.09Å; L270-Q274 PolarHBondContact O-N 3.39Å; R271-Q274 PolarHBondContact O-N 2.83Å
275	A	79.4	Confident	68.2	Low	76 Å²	76	118.2 Å²	118.2	63%	0.628	60%	0.602	S	S	*	*	H	α-helix	trans	-70.2	-33.1	174.1	0	0	0	0	0	112.5	R271 K272 W273	R271-A275 WeakPolarHBondContact O-CB 3.35Å; R271-A275 PolarHBondContact O-N 3.5Å; K272-A275 PolarHBondContact O-N 3.41Å; W273-A275 VanDerWaalsContact C-N 3.28Å; W273-A275 PolarHBondContact O-N 3.28Å
276	R	77	Confident	66.3	Low	213 Å²	213	123 Å²	123	80%	0.804	62%	0.621	S	S	*	*	H	α-helix	trans	-82.4	-19.1	177.8	-75.8	-179.9	134.2	-165.5	-4.5	114.5	K272 W273 P278	K272-R276 WeakPolarHBondContact O-CG 3.42Å; K272-R276 PolarHBondContact O-N 3.25Å; K272-R276 VanDerWaalsContact O-N 3.11Å; W273-R276 PolarHBondContact O-N 3.13Å; W273-R276 VanDerWaalsContact O-N 3.15Å; R276-P278 WeakPolarHBondContact O-CD 3.47Å
277	S	64.1	Low	64.4	Low	30 Å²	30	126.4 Å²	126.4	21%	0.21	64%	0.644	C	S	.	*			trans	-109.5	75	-176.6	-54.7	0	0	0	0	111.3	W273 Q279 F280	W273-S277 WeakPolarHBondContact O-CB 3.32Å; W273-S277 PolarHBondContact O-N 3.14Å; W273-S277 PolarHBondContact O-OG 3.19Å; W273-S277 VanDerWaalsContact O-OG 3.1Å; S277-Q279 PolarHBondContact O-N 3.18Å; S277-F280 PolarHBondContact O-N 3.4Å
278	P	57.8	Low	62.3	Low	100 Å²	100	124.8 Å²	124.8	65%	0.649	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-64.5	-7.6	-179.1	24.2	-32.2	0	0	0	114.1	R276	R276-P278 WeakPolarHBondContact O-CD 3.47Å
279	Q	59.4	Low	60.4	Low	176 Å²	176	125.7 Å²	125.7	82%	0.822	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-84.2	-12.9	-177.2	-63.9	-163.2	14.1	0	0	115.5	S277	S277-Q279 PolarHBondContact O-N 3.18Å
280	F	53.4	Low	58.3	Low	165 Å²	165	127 Å²	127	72%	0.724	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-97.3	2	-179.7	-86.1	-81.7	0	0	0	114.6	W273 S277 N282	W273-F280 HydrophobicContact CH2-CD2 4.32Å; S277-F280 PolarHBondContact O-N 3.4Å; F280-N282 VanDerWaalsContact C-N 3.34Å; F280-N282 PolarHBondContact O-N 3.42Å
281	K	52.8	Low	56.7	Low	156 Å²	156	134.9 Å²	134.9	68%	0.678	70%	0.704	S	S	*	*	S	Bend	trans	-77.6	-14	-174.3	-77.1	-171	175.8	-178.1	0	115.1
282	N	46.3	Very low	54.8	Low	135 Å²	135	136.9 Å²	136.9	72%	0.722	71%	0.711	S	S	*	*	S	Bend	trans	-133.7	129.4	173.3	-66	-29.2	0	0	0	107.5	F280 S284	F280-N282 VanDerWaalsContact C-N 3.34Å; F280-N282 PolarHBondContact O-N 3.42Å; N282-S284 PolarHBondContact O-N 3.25Å
283	G	44.2	Very low	53	Low	98 Å²	98	141.7 Å²	141.7	100%	1.01	73%	0.725	S	S	*	*	S	Bend	trans	-65.8	41.5	-179.7	0	0	0	0	0	115.2
284	S	38.1	Very low	51.3	Low	81 Å²	81	140.8 Å²	140.8	57%	0.566	74%	0.741	S	S	*	*			trans	-112.2	97.9	176.1	-170.2	0	0	0	0	108	N282 K286	N282-S284 PolarHBondContact O-N 3.25Å; S284-K286 PolarHBondContact O-N 3.14Å
285	V	43.1	Very low	50	Low	136 Å²	136	141.3 Å²	141.3	82%	0.824	76%	0.761	S	S	*	*			trans	-57.3	102	161	176	0	0	0	0	106.6	T287	V285-T287 PolarHBondContact O-N 3.33Å
286	K	44.3	Very low	48.4	Very low	187 Å²	187	141.5 Å²	141.5	81%	0.813	76%	0.762	S	S	*	*			trans	-83	105.9	165.8	-76	-171.7	176.8	-176.7	0	106.8	S284 G288	S284-K286 PolarHBondContact O-N 3.14Å; K286-G288 PolarHBondContact O-N 3.27Å
287	T	45.4	Very low	46.8	Very low	116 Å²	116	140.2 Å²	140.2	71%	0.712	76%	0.763	S	S	*	*			trans	-58	106.3	164.8	47.4	0	0	0	0	108.2	V285 T289	V285-T287 PolarHBondContact O-N 3.33Å; T287-T289 VanDerWaalsContact C-N 3.28Å; T287-T289 PolarHBondContact O-N 3.38Å
288	G	39.1	Very low	46.1	Very low	82 Å²	82	146.5 Å²	146.5	85%	0.845	79%	0.789	S	S	*	*			trans	-79.8	70.3	-178.9	0	0	0	0	0	112.2	K286	K286-G288 PolarHBondContact O-N 3.27Å
289	T	43.2	Very low	45.7	Very low	128 Å²	128	156.7 Å²	156.7	79%	0.785	81%	0.814	S	S	*	*			trans	-86.7	91.7	152.8	47.6	0	0	0	0	107.7	T287	T287-T289 VanDerWaalsContact C-N 3.28Å; T287-T289 PolarHBondContact O-N 3.38Å
290	D	39	Very low	45	Very low	139 Å²	139	155.8 Å²	155.8	74%	0.743	81%	0.814	S	S	*	*			trans	178.2	105.9	139.4	-133.7	-34.3	0	0	0	110	R292	D290-R292 PolarHBondContact OD1-N 2.95Å
291	R	45.9	Very low	44.6	Very low	252 Å²	252	155.3 Å²	155.3	95%	0.951	82%	0.818	S	S	*	*			trans	-130.9	52	166.2	-131	-178.9	-172.3	179.7	1.5	108.9	R293	R291-R293 PolarHBondContact O-N 3.28Å
292	R	42.2	Very low	44.1	Very low	234 Å²	234	155.2 Å²	155.2	88%	0.883	83%	0.826	S	S	*	*			trans	-77.8	102.8	151.5	-86.4	-172.1	-178	-146.3	1.3	108.3	D290	D290-R292 PolarHBondContact OD1-N 2.95Å
293	R	44.6	Very low	44	Very low	239 Å²	239	156.4 Å²	156.4	90%	0.902	83%	0.832	S	S	*	*			trans	-131.6	111.2	155.3	-121.1	-177.1	-175.8	-153.3	0.7	108.8	R291	R291-R293 PolarHBondContact O-N 3.28Å
294	S	42.3	Very low	44	Very low	120 Å²	120	160.1 Å²	160.1	84%	0.839	82%	0.821	S	S	*	*			trans	-45.1	127.9	170.7	-50.2	0	0	0	0	111.9
295	A	48.3	Very low	44.4	Very low	104 Å²	104	165.3 Å²	165.3	86%	0.86	84%	0.838	S	S	*	*			trans	-100.4	95.3	149.2	0	0	0	0	0	106.5
296	A	45.5	Very low	44.5	Very low	80 Å²	80	167.4 Å²	167.4	66%	0.661	84%	0.839	S	S	*	*			trans	-78	129.3	150.5	0	0	0	0	0	106
297	F	44	Very low	44.5	Very low	187 Å²	187	165.9 Å²	165.9	82%	0.82	84%	0.841	S	S	*	*			trans	-173.6	124.8	140.2	-100.8	-63.2	0	0	0	111.6
298	H	49.7	Very low	44.4	Very low	162 Å²	162	170.1 Å²	170.1	75%	0.75	85%	0.852	S	S	*	*			trans	68.4	108.3	152.5	-74	-58.7	0	0	0	122.1
299	R	49.3	Very low	44.9	Very low	314 Å²	314	178.1 Å²	178.1	100%	1.185	85%	0.853	S	S	*	*			trans	53.7	0	146.8	-76	-169.7	-176.5	-149.4	2.2	119.4

Retrieved 299 of 299 residues in 887.7 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).