A0A077Z538_TRITR Loading...

Rhodanese domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z538, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	54.6	Low	245 Å²	245	140.5 Å²	140.5	100%	1.207	65%	0.649	S	S	*	*				0	116.3	0	-73.5	-165.9	165.9	0	0	107.5
2	L	49.3	Very low	54.6	Low	101 Å²	101	138.8 Å²	138.8	53%	0.529	64%	0.641	S	S	.	*			trans	-70.4	138.6	175.8	-70.8	161.8	0	0	0	108.4	E6	L2-E6 HydrophobicContact CB-CB 4.47Å; L2-E6 WeakPolarHBondContact CD2-OE2 3.13Å
3	K	56.3	Low	54.4	Low	160 Å²	160	139.7 Å²	139.7	70%	0.696	64%	0.642	S	S	*	*			trans	-61.3	143.3	178.4	-70.6	179	178.6	178.6	0	108.2	S5 E6	K3-S5 PolarHBondContact O-N 3.45Å; K3-E6 PolarHBondContact N-OE2 3.22Å; K3-E6 PolarHBondContact O-N 3.49Å
4	Q	63.8	Low	53.9	Low	177 Å²	177	140.1 Å²	140.1	83%	0.827	65%	0.651	S	S	*	*	H	α-helix	trans	-52.2	-28.2	179.4	-79.9	-177.6	-17.6	0	0	112.9	E6 I7 Y8	Q4-E6 VanDerWaalsContact C-N 3.34Å; Q4-E6 PolarHBondContact O-N 3.34Å; Q4-I7 PolarHBondContact O-N 3.4Å; Q4-Y8 PolarHBondContact O-N 3.13Å
5	S	56.3	Low	53.4	Low	81 Å²	81	139.4 Å²	139.4	57%	0.566	65%	0.654	S	S	*	*	H	α-helix	trans	-63.7	-31.2	173.8	55	0	0	0	0	114.3	K3 Y9	K3-S5 PolarHBondContact O-N 3.45Å; S5-Y9 PolarHBondContact O-N 3.47Å
6	E	59.3	Low	52.8	Low	97 Å²	97	135.8 Å²	135.8	45%	0.453	66%	0.655	S	S	.	*	H	α-helix	trans	-79	-24.7	177.9	-72.1	177.7	130.1	0	0	113	L2 K3 Q4 R10	L2-E6 HydrophobicContact CB-CB 4.47Å; L2-E6 WeakPolarHBondContact CD2-OE2 3.13Å; K3-E6 PolarHBondContact N-OE2 3.22Å; K3-E6 PolarHBondContact O-N 3.49Å; Q4-E6 VanDerWaalsContact C-N 3.34Å; Q4-E6 PolarHBondContact O-N 3.34Å; E6-R10 PolarHBondContact O-N 3.44Å
7	I	58.8	Low	51.9	Low	86 Å²	86	138.4 Å²	138.4	44%	0.441	67%	0.668	S	S	.	*	H	α-helix	trans	-71.6	-41.4	175.4	-61.8	175.1	0	0	0	109.9	Q4 Y9 R10 Q11	Q4-I7 PolarHBondContact O-N 3.4Å; I7-Y9 PolarHBondContact O-N 3.35Å; I7-R10 PolarHBondContact O-N 2.84Å; I7-Q11 PolarHBondContact O-N 2.98Å; I7-Q11 VanDerWaalsContact O-N 3.13Å
8	Y	51	Low	51.2	Low	136 Å²	136	140.2 Å²	140.2	53%	0.533	68%	0.676	S	S	.	*	H	α-helix	trans	-62.2	-41.6	176.4	-171.7	-103.8	0	0	0	112.2	Q4 R10 H12	Q4-Y8 PolarHBondContact O-N 3.13Å; Y8-R10 PolarHBondContact O-N 3.39Å; Y8-H12 AromaticContact CE2-CD2 3.72Å; Y8-H12 AromaticContact CE2-NE2 3.69Å; Y8-H12 AromaticContact CZ-CD2 3.84Å; Y8-H12 AromaticContact CZ-NE2 3.92Å; Y8-H12 PolarHBondContact O-N 3.34Å
9	Y	52.3	Low	50.4	Low	151 Å²	151	142.9 Å²	142.9	59%	0.592	69%	0.685	S	S	*	*	H	α-helix	trans	-71.2	-29.6	179.6	-160.1	-94.2	0	0	0	113.4	S5 I7 K13	S5-Y9 PolarHBondContact O-N 3.47Å; I7-Y9 PolarHBondContact O-N 3.35Å; Y9-K13 HydrophobicContact CE1-CD 4.26Å
10	R	54.4	Low	49.8	Very low	180 Å²	180	142.8 Å²	142.8	68%	0.679	69%	0.693	S	S	*	*	H	α-helix	trans	-78.6	-31.7	176.3	-79.7	-170	177.7	-163.4	0.7	113.7	E6 I7 Y8	E6-R10 PolarHBondContact O-N 3.44Å; I7-R10 PolarHBondContact O-N 2.84Å; Y8-R10 PolarHBondContact O-N 3.39Å
11	Q	52.6	Low	49.3	Very low	131 Å²	131	141.5 Å²	141.5	61%	0.612	70%	0.696	S	S	*	*	H	α-helix	trans	-74.5	-32.7	177.9	-85.2	170.3	-37.6	0	0	112.9	I7	I7-Q11 PolarHBondContact O-N 2.98Å; I7-Q11 VanDerWaalsContact O-N 3.13Å
12	H	55	Low	48.8	Very low	121 Å²	121	136 Å²	136	56%	0.56	68%	0.679	S	S	*	*	H	α-helix	trans	-84.7	-14.6	-177.8	-85.8	-81.6	0	0	0	115.5	Y8	Y8-H12 AromaticContact CE2-CD2 3.72Å; Y8-H12 AromaticContact CE2-NE2 3.69Å; Y8-H12 AromaticContact CZ-CD2 3.84Å; Y8-H12 AromaticContact CZ-NE2 3.92Å; Y8-H12 PolarHBondContact O-N 3.34Å
13	K	52.5	Low	48.5	Very low	150 Å²	150	143.2 Å²	143.2	65%	0.652	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-10.2	-179.1	-151.5	168.6	-175.5	172.9	0	114.4	Y9	Y9-K13 HydrophobicContact CE1-CD 4.26Å
14	L	47.1	Very low	47.6	Very low	146 Å²	146	144 Å²	144	76%	0.764	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-8.2	-179.7	-78.1	160.7	0	0	0	114.3
15	N	46.2	Very low	46.4	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	71%	0.708	S	S	*	*	S	Bend	trans	-110	17	-176.9	-69.6	-18.6	0	0	0	114.6
16	A	43.2	Very low	46	Very low	82 Å²	82	141.2 Å²	141.2	68%	0.678	72%	0.722	S	S	*	*			trans	-98.6	5.5	179.3	0	0	0	0	0	114.6
17	M	38	Very low	45.1	Very low	179 Å²	179	144.9 Å²	144.9	88%	0.882	74%	0.737	S	S	*	*			trans	-101.8	86.4	171.7	-86.4	179.9	146.4	0	0	109.7
18	Q	40.1	Very low	44.3	Very low	171 Å²	171	152.8 Å²	152.8	80%	0.799	76%	0.761	S	S	*	*	S	Bend	trans	-167.2	110	156.7	-105.4	160.3	20.4	0	0	111.3
19	F	34.5	Very low	43.9	Very low	193 Å²	193	154.2 Å²	154.2	85%	0.846	77%	0.77	S	S	*	*			trans	44.9	109.3	150.9	-64.3	-93.1	0	0	0	120.2
20	V	39.1	Very low	43.4	Very low	140 Å²	140	156.1 Å²	156.1	85%	0.848	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-99.5	122.1	153.6	-166.4	0	0	0	0	108
21	P	39.4	Very low	42.9	Very low	116 Å²	116	155 Å²	155	75%	0.753	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-81.5	121.7	175.3	29.7	-29.7	0	0	0	111.4
22	C	35.9	Very low	42.3	Very low	128 Å²	128	154 Å²	154	87%	0.865	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.8	125.6	168.8	-77.3	0	0	0	0	111
23	R	41.8	Very low	42.1	Very low	253 Å²	253	156.3 Å²	156.3	96%	0.955	81%	0.808	S	S	*	*			trans	-91	110.3	163.3	-79.7	-172.9	-165	-146.8	3.3	110
24	L	38.3	Very low	41.7	Very low	177 Å²	177	154 Å²	154	93%	0.927	81%	0.808	S	S	*	*			trans	-72.4	133.5	166.6	-77	155.3	0	0	0	110.3
25	G	38.7	Very low	41.8	Very low	74 Å²	74	157.8 Å²	157.8	76%	0.763	81%	0.813	S	S	*	*			trans	-156.3	90.8	176	0	0	0	0	0	114.4
26	S	48.4	Very low	41.8	Very low	125 Å²	125	157.2 Å²	157.2	87%	0.874	81%	0.814	S	S	*	*			trans	61.2	109.3	151.1	-82.1	0	0	0	0	123.2
27	F	40.7	Very low	42.3	Very low	174 Å²	174	160.4 Å²	160.4	76%	0.763	82%	0.818	S	S	*	*			trans	-34.9	143.8	154.2	-77.2	-103.4	0	0	0	117.2
28	R	41.5	Very low	42.9	Very low	252 Å²	252	156 Å²	156	95%	0.951	81%	0.81	S	S	*	*				-161.4	133.8	111.2	-101.4	168.7	-168.5	-112.5	2.8	111.7
29	K	43.3	Very low	43.5	Very low	167 Å²	167	152.5 Å²	152.5	73%	0.726	81%	0.811	S	S	*	*			trans	-74.8	160.5	-179.4	-63.3	169.4	176.3	176.4	0	112
30	F	40.7	Very low	44.2	Very low	191 Å²	191	147.2 Å²	147.2	84%	0.838	80%	0.797	S	S	*	*			trans	166.3	92.4	131	-93.9	-74.3	0	0	0	107.9
31	L	43.3	Very low	44.8	Very low	157 Å²	157	149.1 Å²	149.1	82%	0.822	80%	0.797	S	S	*	*				82.7	135.1	96.5	-83.2	174.1	0	0	0	115.8
32	P	41.7	Very low	45.6	Very low	108 Å²	108	148.7 Å²	148.7	70%	0.701	80%	0.797	S	S	*	*			trans	-110.2	165	-164	41.6	-32.2	0	0	0	114
33	I	49.5	Very low	46.1	Very low	171 Å²	171	150.2 Å²	150.2	88%	0.877	80%	0.796	S	S	*	*			trans	-147.7	143.4	155.3	-57.3	-176	0	0	0	111.2
34	P	44.8	Very low	46	Very low	101 Å²	101	148.3 Å²	148.3	66%	0.656	80%	0.795	S	S	*	*			trans	-120.5	-172.6	-162.7	42	-26.1	0	0	0	115.6
35	R	47.9	Very low	46.2	Very low	225 Å²	225	150.6 Å²	150.6	85%	0.849	79%	0.792	S	S	*	*			trans	76	145.2	156.9	-66.3	-178.6	-171.4	-150	2.3	115.5
36	T	47.8	Very low	46.1	Very low	117 Å²	117	157.6 Å²	157.6	72%	0.718	80%	0.796	S	S	*	*			cis	-175	162.7	7.5	17.7	0	0	0	0	104.5
37	I	53.6	Low	46.2	Very low	150 Å²	150	156.1 Å²	156.1	77%	0.769	79%	0.791	S	S	*	*				164.7	130.8	91.1	-76.7	-177.1	0	0	0	108
38	A	50.9	Low	46.5	Very low	85 Å²	85	153.5 Å²	153.5	70%	0.702	79%	0.792	S	S	*	*			trans	48.2	125.4	139	0	0	0	0	0	122
39	A	51	Low	46.8	Very low	99 Å²	99	145.3 Å²	145.3	82%	0.818	79%	0.786	S	S	*	*				89.2	153.1	94.2	0	0	0	0	0	111.8
40	S	50.5	Low	46.8	Very low	81 Å²	81	146.4 Å²	146.4	57%	0.566	80%	0.796	S	S	*	*			cis	-175.8	134.7	-6.4	142.3	0	0	0	0	104.4
41	H	50.9	Low	47.1	Very low	180 Å²	180	146.2 Å²	146.2	83%	0.833	80%	0.798	S	S	*	*			trans	55.1	121.2	143.9	-50.5	176.2	0	0	0	119.9
42	S	55.8	Low	46.7	Very low	108 Å²	108	146.5 Å²	146.5	76%	0.755	80%	0.799	S	S	*	*				-179	117.2	109.4	57.6	0	0	0	0	112.4
43	N	47	Very low	46.9	Very low	160 Å²	160	147.9 Å²	147.9	86%	0.856	81%	0.805	S	S	*	*			trans	28	116.9	136.4	-57.1	-34.2	0	0	0	119.4
44	F	39	Very low	46.4	Very low	213 Å²	213	146.5 Å²	146.5	93%	0.934	80%	0.796	S	S	*	*			trans	-131.1	133.7	140.3	-161.3	-102.7	0	0	0	110.6
45	R	44.2	Very low	46	Very low	225 Å²	225	148.5 Å²	148.5	85%	0.849	79%	0.794	S	S	*	*			trans	-79.3	146.5	-166.2	-71.4	172.5	176.3	171.6	-1.9	111.8
46	Y	34.6	Very low	45.6	Very low	221 Å²	221	148 Å²	148	87%	0.867	80%	0.798	S	S	*	*			trans	-88	140.2	159.3	-149.3	-93.3	0	0	0	108.9
47	A	52.4	Low	45.2	Very low	93 Å²	93	150.9 Å²	150.9	77%	0.769	80%	0.803	S	S	*	*			trans	-136	130.3	162.2	0	0	0	0	0	108.9
48	P	45.3	Very low	44.2	Very low	119 Å²	119	150.1 Å²	150.1	77%	0.773	81%	0.81	S	S	*	*			trans	-93.4	154.2	-178.4	36.7	-31.5	0	0	0	111.7
49	G	47.8	Very low	43.7	Very low	81 Å²	81	150.3 Å²	150.3	84%	0.835	81%	0.811	S	S	*	*			trans	-161.6	117	175.2	0	0	0	0	0	111.7
50	M	45.1	Very low	43.5	Very low	190 Å²	190	150.2 Å²	150.2	94%	0.936	81%	0.81	S	S	*	*			trans	-75.6	145.7	176.2	-64.4	-157.4	159.1	0	0	112.2
51	Q	45.7	Very low	43.5	Very low	186 Å²	186	154.5 Å²	154.5	87%	0.869	82%	0.821	S	S	*	*				-174	131.4	118.5	-116.1	168.3	-0.1	0	0	112.2
52	L	34.2	Very low	42.8	Very low	163 Å²	163	151.9 Å²	151.9	85%	0.853	82%	0.82	S	S	*	*			trans	-81.1	126	164.4	-112.8	154.9	0	0	0	108.1
53	V	47	Very low	42.5	Very low	137 Å²	137	153 Å²	153	83%	0.83	82%	0.822	S	S	*	*			trans	-144.9	124	157	-103.4	0	0	0	0	109.2
54	E	38.8	Very low	42.4	Very low	143 Å²	143	152.3 Å²	152.3	67%	0.668	82%	0.818	S	S	*	*			trans	-74.4	152.7	-179.6	-87.3	-164.7	130.3	0	0	113.3
55	K	37.5	Very low	42.4	Very low	142 Å²	142	150.6 Å²	150.6	62%	0.617	82%	0.817	S	S	*	*			trans	73.7	105.7	146.8	-71.9	159.5	-175	151.8	0	118.7
56	F	39.1	Very low	42.1	Very low	216 Å²	216	148.8 Å²	148.8	95%	0.947	81%	0.81	S	S	*	*			trans	-126.9	118.5	139.3	-75.5	-81.9	0	0	0	109.5
57	H	38.9	Very low	42.5	Very low	177 Å²	177	142.5 Å²	142.5	82%	0.819	80%	0.799	S	S	*	*			trans	-73.6	134.9	165.4	-79.5	71	0	0	0	108.5
58	C	32.1	Very low	42	Very low	134 Å²	134	147.4 Å²	147.4	91%	0.905	80%	0.799	S	S	*	*			trans	-134.8	121.9	156.3	-155.5	0	0	0	0	109.1
59	A	41.6	Very low	42	Very low	89 Å²	89	150.1 Å²	150.1	74%	0.736	80%	0.799	S	S	*	*			trans	-85.8	155.4	179	0	0	0	0	0	111.5
60	A	46.1	Very low	42	Very low	96 Å²	96	154.3 Å²	154.3	79%	0.793	79%	0.794	S	S	*	*			trans	71.1	128.2	167.2	0	0	0	0	0	114.6
61	Q	50.4	Low	41.8	Very low	172 Å²	172	151.1 Å²	151.1	80%	0.804	79%	0.787	S	S	*	*			cis	-155.9	161.4	43.3	-76	-177.1	-14.9	0	0	111.1	T63	Q61-T63 PolarHBondContact O-N 3.09Å
62	P	37.3	Very low	42	Very low	125 Å²	125	148.7 Å²	148.7	81%	0.812	78%	0.779	S	S	*	*			trans	-82.4	119.9	-171	33	-29	0	0	0	110
63	T	47.7	Very low	42.5	Very low	130 Å²	130	148 Å²	148	80%	0.798	78%	0.775	S	S	*	*			trans	-127.1	93	167.2	52.8	0	0	0	0	108.9	Q61	Q61-T63 PolarHBondContact O-N 3.09Å
64	I	45.6	Very low	42.3	Very low	147 Å²	147	147.3 Å²	147.3	75%	0.754	78%	0.776	S	S	*	*			trans	38.5	102.9	146	-53.8	-176.6	0	0	0	113.4	R66	I64-R66 HydrophobicContact CG2-CB 4.29Å; I64-R66 PolarHBondContact O-N 3.08Å
65	L	38.9	Very low	42.7	Very low	176 Å²	176	146.2 Å²	146.2	92%	0.921	78%	0.779	S	S	*	*			trans	-54.1	81.5	150.6	-88.9	160.1	0	0	0	107.8	S67	L65-S67 PolarHBondContact O-N 3.43Å
66	R	38.5	Very low	43.7	Very low	188 Å²	188	146.4 Å²	146.4	71%	0.709	78%	0.78	S	S	*	*			trans	-74.7	92.3	164.1	-153.5	176.5	-168.6	-153.5	2.7	102.9	I64 Y68	I64-R66 HydrophobicContact CG2-CB 4.29Å; I64-R66 PolarHBondContact O-N 3.08Å; R66-Y68 VanDerWaalsContact C-N 3.32Å; R66-Y68 VanDerWaalsContact O-CD2 3.25Å; R66-Y68 WeakPolarHBondContact O-CD2 3.35Å; R66-Y68 PolarHBondContact O-N 3.32Å
67	S	41.7	Very low	44.5	Very low	89 Å²	89	144.2 Å²	144.2	62%	0.622	77%	0.773	S	S	*	*			trans	-49.4	103.3	171.3	50	0	0	0	0	107	L65 F69	L65-S67 PolarHBondContact O-N 3.43Å; S67-F69 PolarHBondContact O-N 2.94Å
68	Y	41.9	Very low	45.3	Very low	196 Å²	196	140.2 Å²	140.2	77%	0.769	75%	0.753	S	S	*	*			trans	-73.4	52.9	163.2	-69.6	-84.3	0	0	0	108.1	R66 K70	R66-Y68 VanDerWaalsContact C-N 3.32Å; R66-Y68 VanDerWaalsContact O-CD2 3.25Å; R66-Y68 WeakPolarHBondContact O-CD2 3.35Å; R66-Y68 PolarHBondContact O-N 3.32Å; Y68-K70 PolarHBondContact O-N 3.44Å
69	F	46.2	Very low	46.5	Very low	176 Å²	176	136.6 Å²	136.6	77%	0.772	73%	0.727	S	S	*	*			trans	-69.5	81.9	148.5	-99.6	-88.7	0	0	0	105.1	S67	S67-F69 PolarHBondContact O-N 2.94Å
70	K	47.8	Very low	47.3	Very low	169 Å²	169	137.1 Å²	137.1	74%	0.735	73%	0.725	S	S	*	*			trans	-58	125.5	153.9	-71.6	-176.7	177.5	179.7	0	104.7	Y68 I72	Y68-K70 PolarHBondContact O-N 3.44Å; K70-I72 PolarHBondContact O-N 3.4Å; K70-I72 VanDerWaalsContact O-N 3.07Å
71	P	41.8	Very low	47.8	Very low	122 Å²	122	137.5 Å²	137.5	79%	0.792	71%	0.713	S	S	*	*			trans	-53.1	126.6	175.4	22.2	-30	0	0	0	107.1	L73	P71-L73 PolarHBondContact O-N 3.33Å
72	I	49.7	Very low	48.1	Very low	135 Å²	135	131.6 Å²	131.6	69%	0.692	69%	0.687	S	S	*	*			trans	-42.6	131.7	167.7	-84.7	168	0	0	0	107.1	K70 V75	K70-I72 PolarHBondContact O-N 3.4Å; K70-I72 VanDerWaalsContact O-N 3.07Å; I72-V75 HydrophobicContact CG2-CG2 4.33Å
73	L	43.1	Very low	49	Very low	150 Å²	150	127.2 Å²	127.2	79%	0.785	66%	0.661	S	S	*	*			trans	-10.6	128.9	167	-79.9	122.3	0	0	0	112.9	P71 V75	P71-L73 PolarHBondContact O-N 3.33Å; L73-V75 VanDerWaalsContact C-N 3.28Å; L73-V75 WeakPolarHBondContact O-CG2 3.48Å; L73-V75 PolarHBondContact O-N 3.17Å
74	S	43.4	Very low	49.6	Very low	122 Å²	122	128.6 Å²	128.6	85%	0.853	66%	0.658	S	S	*	*			trans	-42.9	97.1	166.2	-175.6	0	0	0	0	108.9	K76	S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact O-N 2.92Å
75	V	48.3	Very low	50.9	Low	119 Å²	119	126.5 Å²	126.5	72%	0.721	65%	0.645	S	S	*	*			trans	-73	96.6	176.4	178.7	0	0	0	0	103.1	I72 L73 Q77	I72-V75 HydrophobicContact CG2-CG2 4.33Å; L73-V75 VanDerWaalsContact C-N 3.28Å; L73-V75 WeakPolarHBondContact O-CG2 3.48Å; L73-V75 PolarHBondContact O-N 3.17Å; V75-Q77 PolarHBondContact O-N 3.43Å
76	K	57.3	Low	52.9	Low	146 Å²	146	118.4 Å²	118.4	64%	0.635	60%	0.604	S	S	*	*			trans	-61	110.3	171.1	-157.4	-179.6	-179.7	-165.6	0	105.2	S74 F78	S74-K76 VanDerWaalsContact C-N 3.27Å; S74-K76 PolarHBondContact O-N 2.92Å; K76-F78 PolarHBondContact O-N 3.28Å; K76-F78 VanDerWaalsContact O-N 3.13Å
77	Q	55.7	Low	55.1	Low	171 Å²	171	110.2 Å²	110.2	80%	0.799	58%	0.575	S	S	*	*			trans	-57.6	121.8	177.6	-167.6	168.6	5.3	0	0	106.7	V75 T79	V75-Q77 PolarHBondContact O-N 3.43Å; Q77-T79 WeakPolarHBondContact O-CG2 2.99Å; Q77-T79 PolarHBondContact O-N 2.88Å
78	F	55.9	Low	57.3	Low	93 Å²	93	107.2 Å²	107.2	41%	0.408	55%	0.554	S	S	.	*			trans	-49.6	112.6	179	-173.8	-108.7	0	0	0	108.3	K76 D82 A83 T167	K76-F78 PolarHBondContact O-N 3.28Å; K76-F78 VanDerWaalsContact O-N 3.13Å; F78-D82 HydrophobicContact CD2-CB 3.59Å; F78-D82 HydrophobicContact CE1-CB 4.44Å; F78-D82 HydrophobicContact CE2-CB 3.31Å; F78-D82 HydrophobicContact CG-CB 4.27Å; F78-D82 HydrophobicContact CZ-CB 3.79Å; F78-D82 WeakPolarHBondContact CZ-O 3.24Å; F78-A83 HydrophobicContact CD1-CB 4.3Å; F78-A83 HydrophobicContact CE1-CB 3.45Å; F78-A83 VanDerWaalsContact CE1-CB 3.45Å; F78-A83 HydrophobicContact CZ-CB 4.07Å; F78-T167 HydrophobicContact CD2-CG2 4.16Å; F78-T167 HydrophobicContact CE2-CG2 4.24Å
79	T	58.3	Low	59.3	Low	57 Å²	57	99.5 Å²	99.5	35%	0.35	52%	0.524	S	S	.	.			trans	-81.1	156.7	-176	65.9	0	0	0	0	109	Q77 I81 D82 A83	Q77-T79 WeakPolarHBondContact O-CG2 2.99Å; Q77-T79 PolarHBondContact O-N 2.88Å; T79-I81 PolarHBondContact O-N 3.42Å; T79-D82 PolarHBondContact N-OD2 3.19Å; T79-D82 WeakPolarHBondContact O-CB 2.81Å; T79-D82 PolarHBondContact O-N 3.39Å; T79-D82 PolarHBondContact OG1-OD2 2.83Å; T79-A83 PolarHBondContact O-N 2.9Å
80	S	57.1	Low	61.3	Low	101 Å²	101	97.5 Å²	97.5	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-56	-25.7	176.7	51.7	0	0	0	0	113	A83 E84	S80-A83 WeakPolarHBondContact O-CB 3.32Å; S80-A83 PolarHBondContact O-N 3.25Å; S80-E84 PolarHBondContact O-N 3.02Å; S80-E84 VanDerWaalsContact O-N 3.14Å
81	I	56.5	Low	63.2	Low	103 Å²	103	94.5 Å²	94.5	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-67.4	-38.2	177.1	-57.5	170.5	0	0	0	111	T79 A83 E84 H85	T79-I81 PolarHBondContact O-N 3.42Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 2.98Å; I81-E84 PolarHBondContact O-N 3.35Å; I81-H85 PolarHBondContact O-ND1 3.49Å
82	D	56.5	Low	65.4	Low	49 Å²	49	88.8 Å²	88.8	26%	0.262	47%	0.468	S	S	.	.	H	α-helix	trans	-71.3	-26.6	177.3	-52.7	-55	0	0	0	111.1	F78 T79	F78-D82 HydrophobicContact CD2-CB 3.59Å; F78-D82 HydrophobicContact CE1-CB 4.44Å; F78-D82 HydrophobicContact CE2-CB 3.31Å; F78-D82 HydrophobicContact CG-CB 4.27Å; F78-D82 HydrophobicContact CZ-CB 3.79Å; F78-D82 WeakPolarHBondContact CZ-O 3.24Å; T79-D82 PolarHBondContact N-OD2 3.19Å; T79-D82 WeakPolarHBondContact O-CB 2.81Å; T79-D82 PolarHBondContact O-N 3.39Å; T79-D82 PolarHBondContact OG1-OD2 2.83Å
83	A	56.3	Low	67.2	Low	33 Å²	33	86 Å²	86	27%	0.273	45%	0.451	S	S	.	.	H	α-helix	trans	-76.9	-29.8	176.3	0	0	0	0	0	113.5	F78 T79 S80 I81 K186	F78-A83 HydrophobicContact CD1-CB 4.3Å; F78-A83 HydrophobicContact CE1-CB 3.45Å; F78-A83 VanDerWaalsContact CE1-CB 3.45Å; F78-A83 HydrophobicContact CZ-CB 4.07Å; T79-A83 PolarHBondContact O-N 2.9Å; S80-A83 WeakPolarHBondContact O-CB 3.32Å; S80-A83 PolarHBondContact O-N 3.25Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 2.98Å; A83-K186 WeakPolarHBondContact O-CE 3.46Å; A83-K186 PolarHBondContact O-NZ 3.47Å
84	E	60.4	Low	69.4	Low	158 Å²	158	81.5 Å²	81.5	74%	0.738	44%	0.435	S	S	*	.	H	α-helix	trans	-73.8	-31.1	-176.8	-162.6	175	-170.8	0	0	111.9	S80 I81	S80-E84 PolarHBondContact O-N 3.02Å; S80-E84 VanDerWaalsContact O-N 3.14Å; I81-E84 PolarHBondContact O-N 3.35Å
85	H	73	Confident	71.6	Confident	103 Å²	103	77.5 Å²	77.5	48%	0.477	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	1.6	178.2	-62.6	87.6	0	0	0	113.7	I81 V87 S183	I81-H85 PolarHBondContact O-ND1 3.49Å; H85-V87 PolarHBondContact O-N 3.41Å; H85-S183 WeakPolarHBondContact O-CB 3.41Å; H85-S183 PolarHBondContact O-OG 2.98Å
86	A	81.7	Confident	73.6	Confident	7 Å²	7	74 Å²	74	6%	0.058	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-82.5	119.3	-177.8	0	0	0	0	0	110.4	S88 P184 K186	A86-S88 PolarHBondContact O-N 3Å; A86-P184 CarbonylContact C-O 3.56Å; A86-P184 VanDerWaalsContact CA-O 3.26Å; A86-P184 WeakPolarHBondContact CA-O 3.3Å; A86-P184 HydrophobicContact CB-CG 3.86Å; A86-K186 HydrophobicContact CB-CD 4.25Å; A86-K186 HydrophobicContact CB-CG 3.82Å; A86-K186 VanDerWaalsContact O-CE 3.25Å; A86-K186 WeakPolarHBondContact O-CE 3Å; A86-K186 PolarHBondContact O-NZ 2.86Å
87	V	85.2	Confident	75.1	Confident	16 Å²	16	73.6 Å²	73.6	10%	0.097	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-68.8	125.4	-176.5	167.2	0	0	0	0	109.1	H85 E91 L92 L95 V157 P184 K186	H85-V87 PolarHBondContact O-N 3.41Å; V87-E91 HydrophobicContact CG1-CB 3.84Å; V87-L92 HydrophobicContact CG1-CB 3.84Å; V87-L95 HydrophobicContact CG1-CD1 4.47Å; V87-V157 HydrophobicContact CG2-CG2 4.48Å; V87-P184 PolarHBondContact N-O 3.38Å; V87-K186 PolarHBondContact O-N 2.96Å
88	S	86.4	Confident	76.7	Confident	26 Å²	26	68.9 Å²	68.9	18%	0.182	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-66.9	161	172.2	63.8	0	0	0	0	111.1	A86 E90 E91 L92	A86-S88 PolarHBondContact O-N 3Å; S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 PolarHBondContact O-N 3.35Å; S88-E91 WeakPolarHBondContact CB-OE2 3.2Å; S88-E91 PolarHBondContact N-OE2 2.77Å; S88-E91 PolarHBondContact O-N 3.12Å; S88-E91 WeakPolarHBondContact OG-CB 3.1Å; S88-E91 WeakPolarHBondContact OG-CG 3.32Å; S88-E91 PolarHBondContact OG-N 2.84Å; S88-E91 PolarHBondContact OG-OE2 2.91Å; S88-L92 WeakPolarHBondContact O-CB 3.48Å; S88-L92 PolarHBondContact O-N 3.11Å
89	Y	84.7	Confident	78.2	Confident	34 Å²	34	74 Å²	74	13%	0.133	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-38.1	178	167.5	-108.7	0	0	0	112.2	L92 K93 V188 E189 Y192	Y89-L92 PolarHBondContact O-N 2.7Å; Y89-K93 VanDerWaalsContact O-CB 3.32Å; Y89-K93 WeakPolarHBondContact O-CB 3.39Å; Y89-K93 PolarHBondContact O-N 3.08Å; Y89-V188 HydrophobicContact CD2-CG1 4.25Å; Y89-V188 HydrophobicContact CE2-CG1 4.17Å; Y89-E189 HydrophobicContact CE1-CG 4.14Å; Y89-E189 WeakPolarHBondContact CE1-OE2 3.49Å; Y89-E189 HydrophobicContact CE2-CB 4.19Å; Y89-E189 HydrophobicContact CE2-CG 4.32Å; Y89-E189 PolarHBondContact OH-OE2 2.68Å; Y89-Y192 AromaticContact CE2-CD2 3.88Å; Y89-Y192 HydrophobicContact CE2-CD2 3.88Å; Y89-Y192 HydrophobicContact CE2-CE2 4.08Å; Y89-Y192 HydrophobicContact CE2-CG 4.32Å; Y89-Y192 AromaticContact CZ-CD2 3.81Å; Y89-Y192 AromaticContact CZ-CE2 3.66Å; Y89-Y192 WeakPolarHBondContact OH-CD2 3.36Å; Y89-Y192 WeakPolarHBondContact OH-CE2 3.48Å
90	E	87.2	Confident	79.6	Confident	133 Å²	133	76.1 Å²	76.1	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-64.2	-42.9	177.1	-63.1	76.1	-167.6	0	0	111.7	S88 K93 A94	S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 PolarHBondContact O-N 3.35Å; E90-K93 PolarHBondContact O-N 3.14Å; E90-A94 WeakPolarHBondContact O-CB 3.15Å; E90-A94 PolarHBondContact O-N 2.94Å
91	E	88.4	Confident	81.2	Confident	106 Å²	106	72.8 Å²	72.8	50%	0.495	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-46	174.6	-73.5	163.5	152.2	0	0	111.2	V87 S88 K93 A94 L95	V87-E91 HydrophobicContact CG1-CB 3.84Å; S88-E91 WeakPolarHBondContact CB-OE2 3.2Å; S88-E91 PolarHBondContact N-OE2 2.77Å; S88-E91 PolarHBondContact O-N 3.12Å; S88-E91 WeakPolarHBondContact OG-CB 3.1Å; S88-E91 WeakPolarHBondContact OG-CG 3.32Å; S88-E91 PolarHBondContact OG-N 2.84Å; S88-E91 PolarHBondContact OG-OE2 2.91Å; E91-K93 VanDerWaalsContact C-N 3.29Å; E91-K93 PolarHBondContact O-N 2.77Å; E91-A94 PolarHBondContact O-N 3.39Å; E91-L95 WeakPolarHBondContact O-CB 2.94Å; E91-L95 VanDerWaalsContact O-CG 3.26Å; E91-L95 WeakPolarHBondContact O-CG 3.18Å; E91-L95 PolarHBondContact O-N 3.42Å
92	L	88.7	Confident	82.9	Confident	2 Å²	2	70 Å²	70	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-59.2	-44.1	176.6	177.8	59.9	0	0	0	111	V87 S88 Y89 L95 I96 V101 L103 V157 V185 V188	V87-L92 HydrophobicContact CG1-CB 3.84Å; S88-L92 WeakPolarHBondContact O-CB 3.48Å; S88-L92 PolarHBondContact O-N 3.11Å; Y89-L92 PolarHBondContact O-N 2.7Å; L92-L95 WeakPolarHBondContact O-CB 3.25Å; L92-L95 PolarHBondContact O-N 3.02Å; L92-I96 HydrophobicContact CD1-CD1 3.93Å; L92-I96 HydrophobicContact CD1-CG1 4.05Å; L92-I96 HydrophobicContact CD2-CD1 4.35Å; L92-I96 HydrophobicContact CG-CD1 3.74Å; L92-I96 HydrophobicContact CG-CG1 4.31Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 PolarHBondContact O-N 2.86Å; L92-V101 HydrophobicContact CD1-CG2 4.45Å; L92-L103 HydrophobicContact CD1-CD1 4.08Å; L92-L103 HydrophobicContact CD1-CD2 4.34Å; L92-L103 HydrophobicContact CD2-CD1 4.39Å; L92-L103 HydrophobicContact CD2-CD2 4.43Å; L92-V157 HydrophobicContact CD1-CG1 4.12Å; L92-V185 HydrophobicContact CD2-CB 4.43Å; L92-V185 HydrophobicContact CD2-CG1 3.67Å; L92-V185 HydrophobicContact CD2-CG2 3.81Å; L92-V188 HydrophobicContact CD2-CG2 3.89Å
93	K	87.6	Confident	84.6	Confident	77 Å²	77	67.9 Å²	67.9	34%	0.335	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-47.4	177.7	-177.9	-175.8	172.5	179.7	0	111.2	Y89 E90 E91 L95 I96 E97 Y192	Y89-K93 VanDerWaalsContact O-CB 3.32Å; Y89-K93 WeakPolarHBondContact O-CB 3.39Å; Y89-K93 PolarHBondContact O-N 3.08Å; E90-K93 PolarHBondContact O-N 3.14Å; E91-K93 VanDerWaalsContact C-N 3.29Å; E91-K93 PolarHBondContact O-N 2.77Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 2.95Å; K93-I96 PolarHBondContact O-N 3.3Å; K93-E97 WeakPolarHBondContact CE-OE1 3.38Å; K93-E97 WeakPolarHBondContact O-CB 3.4Å; K93-E97 WeakPolarHBondContact O-CG 3.47Å; K93-E97 PolarHBondContact O-N 3.38Å; K93-Y192 WeakPolarHBondContact CD-OH 3.4Å; K93-Y192 WeakPolarHBondContact CE-OH 3.37Å; K93-Y192 HydrophobicContact CG-CE1 4.46Å; K93-Y192 PolarHBondContact NZ-OH 2.82Å
94	A	89.7	Confident	86.5	Confident	55 Å²	55	66.4 Å²	66.4	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-41.4	177.1	0	0	0	0	0	111.9	E90 E91 E97 A98	E90-A94 WeakPolarHBondContact O-CB 3.15Å; E90-A94 PolarHBondContact O-N 2.94Å; E91-A94 PolarHBondContact O-N 3.39Å; A94-E97 PolarHBondContact O-N 2.77Å; A94-A98 VanDerWaalsContact O-CB 3.32Å; A94-A98 WeakPolarHBondContact O-CB 3.4Å; A94-A98 PolarHBondContact O-N 2.91Å
95	L	89.5	Confident	88.1	Confident	38 Å²	38	59 Å²	59	20%	0.199	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-42.9	176.4	-77	174.5	0	0	0	112.7	V87 E91 L92 K93 A98 R99 D100 V101	V87-L95 HydrophobicContact CG1-CD1 4.47Å; E91-L95 WeakPolarHBondContact O-CB 2.94Å; E91-L95 VanDerWaalsContact O-CG 3.26Å; E91-L95 WeakPolarHBondContact O-CG 3.18Å; E91-L95 PolarHBondContact O-N 3.42Å; L92-L95 WeakPolarHBondContact O-CB 3.25Å; L92-L95 PolarHBondContact O-N 3.02Å; K93-L95 VanDerWaalsContact C-N 3.31Å; K93-L95 PolarHBondContact O-N 2.95Å; L95-A98 PolarHBondContact O-N 3.28Å; L95-R99 PolarHBondContact O-N 2.9Å; L95-R99 VanDerWaalsContact O-N 3.09Å; L95-D100 PolarHBondContact O-N 3.09Å; L95-D100 VanDerWaalsContact O-N 3.17Å; L95-V101 HydrophobicContact CB-CB 3.86Å; L95-V101 HydrophobicContact CB-CG1 3.84Å; L95-V101 HydrophobicContact CB-CG2 4.4Å; L95-V101 HydrophobicContact CD1-CG2 4.42Å
96	I	88.8	Confident	89.2	Confident	47 Å²	47	54 Å²	54	24%	0.241	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-45	175.8	-68.9	167.6	0	0	0	110.4	L92 K93 A98 R99 V101 L103 I118	L92-I96 HydrophobicContact CD1-CD1 3.93Å; L92-I96 HydrophobicContact CD1-CG1 4.05Å; L92-I96 HydrophobicContact CD2-CD1 4.35Å; L92-I96 HydrophobicContact CG-CD1 3.74Å; L92-I96 HydrophobicContact CG-CG1 4.31Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 PolarHBondContact O-N 2.86Å; K93-I96 PolarHBondContact O-N 3.3Å; I96-A98 VanDerWaalsContact C-N 3.3Å; I96-A98 PolarHBondContact O-N 3.36Å; I96-R99 PolarHBondContact O-N 3.45Å; I96-R99 VanDerWaalsContact O-N 3.08Å; I96-V101 HydrophobicContact CB-CG1 4.5Å; I96-V101 HydrophobicContact CG1-CG1 3.91Å; I96-L103 HydrophobicContact CD1-CD2 3.96Å; I96-I118 HydrophobicContact CD1-CG2 4.45Å
97	E	88.5	Confident	89.9	Confident	137 Å²	137	53.7 Å²	53.7	64%	0.64	27%	0.274	S	S	*	.	H	α-helix	trans	-62.4	-38	177.8	-74	177.2	-179.8	0	0	111.8	K93 A94 R99	K93-E97 WeakPolarHBondContact CE-OE1 3.38Å; K93-E97 WeakPolarHBondContact O-CB 3.4Å; K93-E97 WeakPolarHBondContact O-CG 3.47Å; K93-E97 PolarHBondContact O-N 3.38Å; A94-E97 PolarHBondContact O-N 2.77Å; E97-R99 VanDerWaalsContact C-N 3.27Å; E97-R99 PolarHBondContact O-N 3.18Å
98	A	90.2	Very high	90.3	Very high	71 Å²	71	55.8 Å²	55.8	59%	0.587	29%	0.285	S	S	*	.	H	α-helix	trans	-74.1	-12.4	174.9	0	0	0	0	0	114.1	A94 L95 I96 D100	A94-A98 VanDerWaalsContact O-CB 3.32Å; A94-A98 WeakPolarHBondContact O-CB 3.4Å; A94-A98 PolarHBondContact O-N 2.91Å; L95-A98 PolarHBondContact O-N 3.28Å; I96-A98 VanDerWaalsContact C-N 3.3Å; I96-A98 PolarHBondContact O-N 3.36Å; A98-D100 HydrophobicContact CB-CB 4.29Å; A98-D100 PolarHBondContact O-N 3.43Å
99	R	86.6	Confident	90.7	Very high	201 Å²	201	57.1 Å²	57.1	76%	0.758	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	31.5	-171.6	-55.2	-177.4	179	176.6	1	113.5	L95 I96 E97	L95-R99 PolarHBondContact O-N 2.9Å; L95-R99 VanDerWaalsContact O-N 3.09Å; I96-R99 PolarHBondContact O-N 3.45Å; I96-R99 VanDerWaalsContact O-N 3.08Å; E97-R99 VanDerWaalsContact C-N 3.27Å; E97-R99 PolarHBondContact O-N 3.18Å
100	D	87.9	Confident	91.2	Very high	101 Å²	101	61.8 Å²	61.8	54%	0.54	32%	0.316	S	S	.	.			trans	-111.4	35	-177.3	-167	30.6	0	0	0	111.2	L95 A98 N155	L95-D100 PolarHBondContact O-N 3.09Å; L95-D100 VanDerWaalsContact O-N 3.17Å; A98-D100 HydrophobicContact CB-CB 4.29Å; A98-D100 PolarHBondContact O-N 3.43Å; D100-N155 WeakPolarHBondContact O-CB 3.27Å; D100-N155 PolarHBondContact O-ND2 3.4Å; D100-N155 PolarHBondContact OD2-ND2 3.44Å
101	V	90.4	Very high	91.5	Very high	31 Å²	31	57.6 Å²	57.6	19%	0.188	30%	0.296	C	S	.	.			trans	-145.2	136.2	-178.7	61.9	0	0	0	0	111.4	L92 L95 I96 N155 V157	L92-V101 HydrophobicContact CD1-CG2 4.45Å; L95-V101 HydrophobicContact CB-CB 3.86Å; L95-V101 HydrophobicContact CB-CG1 3.84Å; L95-V101 HydrophobicContact CB-CG2 4.4Å; L95-V101 HydrophobicContact CD1-CG2 4.42Å; I96-V101 HydrophobicContact CB-CG1 4.5Å; I96-V101 HydrophobicContact CG1-CG1 3.91Å; V101-N155 HydrophobicContact CB-CB 4.46Å; V101-N155 WeakPolarHBondContact CG2-O 3.48Å; V101-V157 HydrophobicContact CG2-CB 3.93Å; V101-V157 HydrophobicContact CG2-CG2 3.6Å
102	L	92.8	Very high	91.7	Very high	46 Å²	46	53.1 Å²	53.1	24%	0.241	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	96.5	165	179.9	63	0	0	0	108.4	I104 V122 F146 P149 N155 V156 V157	L102-I104 HydrophobicContact CD2-CD1 4.15Å; L102-I104 HydrophobicContact CD2-CG1 4.41Å; L102-I104 HydrophobicContact CG-CD1 4.31Å; L102-I104 HydrophobicContact CG-CG1 4.03Å; L102-V122 HydrophobicContact CD1-CG2 3.99Å; L102-F146 HydrophobicContact CD1-CD2 4.03Å; L102-F146 HydrophobicContact CD1-CE2 4.05Å; L102-F146 HydrophobicContact CD2-CE2 4.18Å; L102-P149 HydrophobicContact CD2-CB 3.71Å; L102-P149 HydrophobicContact CD2-CG 4.33Å; L102-N155 PolarHBondContact N-O 2.77Å; L102-V156 HydrophobicContact CD2-CG2 4.35Å; L102-V157 PolarHBondContact O-N 3.32Å
103	L	93.4	Very high	92	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.2	177.1	-178.2	59.3	0	0	0	110.1	L92 I96 I118 A121 V122 V157 H159 V185	L92-L103 HydrophobicContact CD1-CD1 4.08Å; L92-L103 HydrophobicContact CD1-CD2 4.34Å; L92-L103 HydrophobicContact CD2-CD1 4.39Å; L92-L103 HydrophobicContact CD2-CD2 4.43Å; I96-L103 HydrophobicContact CD1-CD2 3.96Å; L103-I118 HydrophobicContact CD2-CB 4.31Å; L103-I118 HydrophobicContact CD2-CD1 4.22Å; L103-I118 HydrophobicContact CD2-CG2 3.76Å; L103-A121 HydrophobicContact CB-CB 4.23Å; L103-A121 HydrophobicContact CD2-CB 3.76Å; L103-A121 HydrophobicContact CG-CB 3.76Å; L103-A121 CarbonylContact O-C 3.51Å; L103-A121 VanDerWaalsContact O-CA 3.27Å; L103-A121 WeakPolarHBondContact O-CA 3.49Å; L103-V122 PolarHBondContact O-N 2.95Å; L103-V157 HydrophobicContact CD1-CB 4.18Å; L103-V157 HydrophobicContact CD1-CG1 3.86Å; L103-H159 HydrophobicContact CD1-CB 3.94Å; L103-V185 HydrophobicContact CD1-CG2 4.32Å
104	I	94.7	Very high	92.2	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.5	178.1	-55.7	176.2	0	0	0	109	L102 V106 V122 V124 P149 V156 V157 F158 H159	L102-I104 HydrophobicContact CD2-CD1 4.15Å; L102-I104 HydrophobicContact CD2-CG1 4.41Å; L102-I104 HydrophobicContact CG-CD1 4.31Å; L102-I104 HydrophobicContact CG-CG1 4.03Å; I104-V106 HydrophobicContact CG2-CG1 4.24Å; I104-V122 CarbonylContact C-O 3.35Å; I104-V122 WeakPolarHBondContact CA-O 3.48Å; I104-V122 HydrophobicContact CG1-CG2 4Å; I104-V124 HydrophobicContact CG2-CB 3.85Å; I104-V124 HydrophobicContact CG2-CG2 4Å; I104-P149 HydrophobicContact CD1-CG 4.21Å; I104-V156 HydrophobicContact CD1-CG1 3.85Å; I104-V157 PolarHBondContact N-O 3.47Å; I104-F158 HydrophobicContact CB-CD1 3.74Å; I104-F158 HydrophobicContact CB-CE1 3.77Å; I104-F158 HydrophobicContact CD1-CD1 4.44Å; I104-F158 HydrophobicContact CD1-CE1 3.65Å; I104-F158 HydrophobicContact CD1-CZ 4.13Å; I104-F158 HydrophobicContact CG1-CE1 4.25Å; I104-F158 HydrophobicContact CG2-CD1 3.96Å; I104-F158 HydrophobicContact CG2-CE1 3.85Å; I104-F158 WeakPolarHBondContact O-CA 3.37Å; I104-H159 PolarHBondContact O-N 2.87Å
105	D	95	Very high	92.2	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.9	173.9	-168	-17	0	0	0	109.8	R107 I112 A121 V122 N123 V124 H159	D105-R107 VanDerWaalsContact C-N 3.34Å; D105-R107 VanDerWaalsContact OD1-CB 3.23Å; D105-R107 WeakPolarHBondContact OD1-CB 2.99Å; D105-R107 WeakPolarHBondContact OD1-CG 3.5Å; D105-R107 IonicContact OD1-CZ 3.97Å; D105-R107 PolarHBondContact OD1-N 2.75Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 IonicContact OD1-NE 2.97Å; D105-R107 PolarHBondContact OD1-NE 3.1Å; D105-R107 IonicContact OD2-CZ 3.29Å; D105-R107 VanDerWaalsContact OD2-CZ 3.29Å; D105-R107 IonicContact OD2-NE 3.04Å; D105-R107 PolarHBondContact OD2-NE 3.19Å; D105-R107 IonicContact OD2-NH2 2.69Å; D105-R107 PolarHBondContact OD2-NH2 3.32Å; D105-I112 HydrophobicContact CB-CD1 4.49Å; D105-A121 HydrophobicContact CB-CB 4.33Å; D105-V122 PolarHBondContact N-O 3.34Å; D105-N123 WeakPolarHBondContact O-CA 3.35Å; D105-N123 PolarHBondContact O-ND2 3.1Å; D105-V124 PolarHBondContact O-N 2.92Å; D105-H159 IonicContact OD1-CD2 3.08Å; D105-H159 IonicContact OD2-CD2 3.37Å
106	V	95.9	Very high	92.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.314	C	S	.	.			trans	-94.3	8.9	-175.2	-50.9	0	0	0	0	113.6	I104 V124 L126 L129 F158 H159 K165 A169	I104-V106 HydrophobicContact CG2-CG1 4.24Å; V106-V124 WeakPolarHBondContact CA-O 3.4Å; V106-L126 HydrophobicContact CB-CB 4.24Å; V106-L126 HydrophobicContact CG2-CB 4.48Å; V106-L126 PolarHBondContact O-N 2.77Å; V106-L129 HydrophobicContact CB-CD1 4.36Å; V106-L129 HydrophobicContact CG1-CD1 3.77Å; V106-F158 HydrophobicContact CG1-CB 4.36Å; V106-F158 HydrophobicContact CG1-CD1 3.59Å; V106-F158 HydrophobicContact CG1-CE1 4.37Å; V106-F158 HydrophobicContact CG1-CG 4.37Å; V106-H159 VanDerWaalsContact CG2-O 3.25Å; V106-H159 WeakPolarHBondContact CG2-O 3.34Å; V106-H159 PolarHBondContact N-O 3.04Å; V106-K165 HydrophobicContact CG2-CB 3.98Å; V106-A169 HydrophobicContact CB-CB 4.44Å; V106-A169 HydrophobicContact CG1-CB 3.78Å; V106-A169 HydrophobicContact CG2-CB 4.28Å
107	R	95.4	Very high	92.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-66.3	153	170.8	-66.5	-177.8	-63.2	162.1	0.9	111.2	D105 E111 I112 G116 N123 L161	D105-R107 VanDerWaalsContact C-N 3.34Å; D105-R107 VanDerWaalsContact OD1-CB 3.23Å; D105-R107 WeakPolarHBondContact OD1-CB 2.99Å; D105-R107 WeakPolarHBondContact OD1-CG 3.5Å; D105-R107 IonicContact OD1-CZ 3.97Å; D105-R107 PolarHBondContact OD1-N 2.75Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 IonicContact OD1-NE 2.97Å; D105-R107 PolarHBondContact OD1-NE 3.1Å; D105-R107 IonicContact OD2-CZ 3.29Å; D105-R107 VanDerWaalsContact OD2-CZ 3.29Å; D105-R107 IonicContact OD2-NE 3.04Å; D105-R107 PolarHBondContact OD2-NE 3.19Å; D105-R107 IonicContact OD2-NH2 2.69Å; D105-R107 PolarHBondContact OD2-NH2 3.32Å; R107-E111 VanDerWaalsContact CA-OE2 3.25Å; R107-E111 WeakPolarHBondContact CA-OE2 3.36Å; R107-E111 HydrophobicContact CB-CB 4.13Å; R107-E111 VanDerWaalsContact CB-OE2 3.32Å; R107-E111 WeakPolarHBondContact CB-OE2 3.36Å; R107-I112 HydrophobicContact CB-CD1 4.22Å; R107-I112 HydrophobicContact CB-CG1 3.82Å; R107-G116 PolarHBondContact NH1-O 2.97Å; R107-G116 PolarHBondContact NH2-O 3.13Å; R107-N123 PolarHBondContact O-ND2 3.29Å; R107-L161 HydrophobicContact CG-CB 4.48Å; R107-L161 HydrophobicContact CG-CG 4.17Å
108	D	95.3	Very high	92.6	Very high	60 Å²	60	57.2 Å²	57.2	32%	0.321	30%	0.295	S	S	.	.			trans	-70.1	147.1	170.2	-60.3	-69	0	0	0	108.9	E110 E111 I112 K165	D108-E110 WeakPolarHBondContact CB-OE2 3.49Å; D108-E110 PolarHBondContact O-N 2.85Å; D108-E110 VanDerWaalsContact O-N 3.13Å; D108-E111 HydrophobicContact CB-CG 4.33Å; D108-E111 PolarHBondContact N-OE2 2.79Å; D108-E111 WeakPolarHBondContact O-CB 3.49Å; D108-E111 PolarHBondContact O-N 3.27Å; D108-I112 PolarHBondContact O-N 3.07Å; D108-K165 IonicContact OD2-NZ 2.92Å; D108-K165 PolarHBondContact OD2-NZ 2.88Å
109	P	94.4	Very high	92.5	Very high	53 Å²	53	58.8 Å²	58.8	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-55.5	-34.2	-175.2	-26.7	36.5	0	0	0	113.4	E111 I112 E113 P125	P109-E111 VanDerWaalsContact C-N 3.33Å; P109-E111 PolarHBondContact O-N 3.07Å; P109-I112 WeakPolarHBondContact O-CB 3.48Å; P109-I112 PolarHBondContact O-N 2.84Å; P109-E113 WeakPolarHBondContact O-CG 3.44Å; P109-E113 PolarHBondContact O-N 3.31Å; P109-P125 HydrophobicContact CG-CG 4.23Å
110	E	94.6	Very high	92.6	Very high	132 Å²	132	52.2 Å²	52.2	62%	0.617	29%	0.287	S	S	*	.	H	α-helix	trans	-65.6	-34.8	178	-56.5	82.2	179.2	0	0	112.3	D108 I112 A114	D108-E110 WeakPolarHBondContact CB-OE2 3.49Å; D108-E110 PolarHBondContact O-N 2.85Å; D108-E110 VanDerWaalsContact O-N 3.13Å; E110-I112 VanDerWaalsContact C-N 3.34Å; E110-A114 WeakPolarHBondContact O-CB 3.48Å; E110-A114 PolarHBondContact O-N 2.91Å; E110-A114 VanDerWaalsContact O-N 3.09Å
111	E	93.2	Very high	92.8	Very high	46 Å²	46	47.4 Å²	47.4	22%	0.215	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-38	174.8	-63.1	173.7	132.4	0	0	110.7	R107 D108 P109 A114 Q115 L161 K165	R107-E111 VanDerWaalsContact CA-OE2 3.25Å; R107-E111 WeakPolarHBondContact CA-OE2 3.36Å; R107-E111 HydrophobicContact CB-CB 4.13Å; R107-E111 VanDerWaalsContact CB-OE2 3.32Å; R107-E111 WeakPolarHBondContact CB-OE2 3.36Å; D108-E111 HydrophobicContact CB-CG 4.33Å; D108-E111 PolarHBondContact N-OE2 2.79Å; D108-E111 WeakPolarHBondContact O-CB 3.49Å; D108-E111 PolarHBondContact O-N 3.27Å; P109-E111 VanDerWaalsContact C-N 3.33Å; P109-E111 PolarHBondContact O-N 3.07Å; E111-A114 PolarHBondContact O-N 2.97Å; E111-Q115 WeakPolarHBondContact O-CB 3.34Å; E111-Q115 PolarHBondContact O-N 2.69Å; E111-Q115 VanDerWaalsContact O-N 3.07Å; E111-L161 HydrophobicContact CB-CD1 4.17Å; E111-L161 HydrophobicContact CG-CD1 4.05Å; E111-L161 WeakPolarHBondContact OE1-CD1 3.26Å; E111-K165 IonicContact OE1-NZ 2.77Å; E111-K165 PolarHBondContact OE1-NZ 3.2Å; E111-K165 IonicContact OE2-NZ 2.67Å; E111-K165 PolarHBondContact OE2-NZ 2.79Å
112	I	93.8	Very high	93.1	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.062	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-43.9	177.4	-61.6	178.3	0	0	0	110.4	D105 R107 D108 P109 E110 A114 G116 R117 N123 V196	D105-I112 HydrophobicContact CB-CD1 4.49Å; R107-I112 HydrophobicContact CB-CD1 4.22Å; R107-I112 HydrophobicContact CB-CG1 3.82Å; D108-I112 PolarHBondContact O-N 3.07Å; P109-I112 WeakPolarHBondContact O-CB 3.48Å; P109-I112 PolarHBondContact O-N 2.84Å; E110-I112 VanDerWaalsContact C-N 3.34Å; I112-A114 VanDerWaalsContact C-N 3.29Å; I112-A114 PolarHBondContact O-N 2.78Å; I112-G116 CarbonylContact O-C 3.56Å; I112-G116 WeakPolarHBondContact O-CA 3.38Å; I112-G116 PolarHBondContact O-N 3.04Å; I112-R117 HydrophobicContact CG2-CB 3.74Å; I112-R117 HydrophobicContact CG2-CG 4.42Å; I112-N123 HydrophobicContact CD1-CB 3.81Å; I112-N123 VanDerWaalsContact CD1-CG 3.41Å; I112-N123 WeakPolarHBondContact CD1-ND2 3.29Å; I112-V196 HydrophobicContact CG2-CG2 3.78Å; I112-V196 VanDerWaalsContact O-CG2 3.25Å; I112-V196 WeakPolarHBondContact O-CG2 3.25Å
113	E	93.6	Very high	93.2	Very high	140 Å²	140	47.2 Å²	47.2	65%	0.654	26%	0.26	S	S	*	.	H	α-helix	trans	-59.4	-39.5	174.8	-73.9	178.9	-178.9	0	0	112	P109	P109-E113 WeakPolarHBondContact O-CG 3.44Å; P109-E113 PolarHBondContact O-N 3.31Å
114	A	92.4	Very high	93.4	Very high	86 Å²	86	47 Å²	47	71%	0.711	26%	0.259	S	S	*	.	H	α-helix	trans	-74.6	-36.4	-178.2	0	0	0	0	0	114.2	E110 E111 I112	E110-A114 WeakPolarHBondContact O-CB 3.48Å; E110-A114 PolarHBondContact O-N 2.91Å; E110-A114 VanDerWaalsContact O-N 3.09Å; E111-A114 PolarHBondContact O-N 2.97Å; I112-A114 VanDerWaalsContact C-N 3.29Å; I112-A114 PolarHBondContact O-N 2.78Å
115	Q	89.6	Confident	93.5	Very high	90 Å²	90	47.2 Å²	47.2	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-111.2	-13.7	-171.4	-63.3	-179.2	-47.5	0	0	114.3	E111 F193	E111-Q115 WeakPolarHBondContact O-CB 3.34Å; E111-Q115 PolarHBondContact O-N 2.69Å; E111-Q115 VanDerWaalsContact O-N 3.07Å; Q115-F193 VanDerWaalsContact O-CB 3.31Å; Q115-F193 WeakPolarHBondContact O-CB 3.47Å
116	G	92.2	Very high	93.5	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.021	27%	0.269	C	S	.	.			trans	94.4	167.3	-172.3	0	0	0	0	0	113.9	R107 I112 F193 Q194	R107-G116 PolarHBondContact NH1-O 2.97Å; R107-G116 PolarHBondContact NH2-O 3.13Å; I112-G116 CarbonylContact O-C 3.56Å; I112-G116 WeakPolarHBondContact O-CA 3.38Å; I112-G116 PolarHBondContact O-N 3.04Å; G116-F193 WeakPolarHBondContact O-CD1 3.18Å; G116-Q194 CarbonylContact C-O 3.33Å; G116-Q194 WeakPolarHBondContact CA-O 3.42Å
117	R	92.2	Very high	93.5	Very high	121 Å²	121	52.1 Å²	52.1	46%	0.457	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.6	-178.6	175.9	173.6	170.5	-171.4	-1.9	111.3	I112 A121 Q194 V196	I112-R117 HydrophobicContact CG2-CB 3.74Å; I112-R117 HydrophobicContact CG2-CG 4.42Å; R117-A121 VanDerWaalsContact CZ-O 3.23Å; R117-A121 PolarHBondContact NE-O 3.37Å; R117-A121 PolarHBondContact NH2-O 3.07Å; R117-Q194 PolarHBondContact N-O 2.68Å; R117-Q194 PolarHBondContact O-N 2.83Å; R117-V196 HydrophobicContact CB-CG2 4.32Å
118	I	90.5	Very high	93.6	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.2	169.7	-54.7	175.4	0	0	0	109.2	I96 L103 G120 A121 H159 V188 F193	I96-I118 HydrophobicContact CD1-CG2 4.45Å; L103-I118 HydrophobicContact CD2-CB 4.31Å; L103-I118 HydrophobicContact CD2-CD1 4.22Å; L103-I118 HydrophobicContact CD2-CG2 3.76Å; I118-G120 PolarHBondContact O-N 3.35Å; I118-A121 HydrophobicContact CB-CB 3.89Å; I118-A121 HydrophobicContact CG2-CB 4.43Å; I118-A121 WeakPolarHBondContact O-CB 3.31Å; I118-A121 PolarHBondContact O-N 2.83Å; I118-A121 VanDerWaalsContact O-N 3.12Å; I118-H159 HydrophobicContact CD1-CB 4.46Å; I118-V188 HydrophobicContact CD1-CB 4.43Å; I118-V188 HydrophobicContact CD1-CG1 4.1Å; I118-V188 HydrophobicContact CD1-CG2 4.19Å; I118-F193 HydrophobicContact CD1-CD1 4.37Å; I118-F193 HydrophobicContact CD1-CE1 3.69Å; I118-F193 HydrophobicContact CD1-CZ 4.39Å; I118-F193 HydrophobicContact CG1-CD1 3.48Å; I118-F193 VanDerWaalsContact CG1-CD1 3.48Å; I118-F193 HydrophobicContact CG1-CE1 3.3Å; I118-F193 HydrophobicContact CG1-CZ 4.34Å
119	I	88.4	Confident	93.6	Very high	104 Å²	104	52.7 Å²	52.7	53%	0.533	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	130	177	-58.8	176.3	0	0	0	109.6	A121 Q194	I119-A121 PolarHBondContact O-N 2.89Å; I119-Q194 HydrophobicContact CD1-CG 3.62Å; I119-Q194 HydrophobicContact CG1-CG 3.5Å
120	G	89.1	Confident	93.6	Very high	63 Å²	63	52.3 Å²	52.3	65%	0.649	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-13.8	-179.8	0	0	0	0	0	114.8	I118	I118-G120 PolarHBondContact O-N 3.35Å
121	A	92.7	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-73.6	141.4	174.3	0	0	0	0	0	111.4	L103 D105 R117 I118 I119	L103-A121 HydrophobicContact CB-CB 4.23Å; L103-A121 HydrophobicContact CD2-CB 3.76Å; L103-A121 HydrophobicContact CG-CB 3.76Å; L103-A121 CarbonylContact O-C 3.51Å; L103-A121 VanDerWaalsContact O-CA 3.27Å; L103-A121 WeakPolarHBondContact O-CA 3.49Å; D105-A121 HydrophobicContact CB-CB 4.33Å; R117-A121 VanDerWaalsContact CZ-O 3.23Å; R117-A121 PolarHBondContact NE-O 3.37Å; R117-A121 PolarHBondContact NH2-O 3.07Å; I118-A121 HydrophobicContact CB-CB 3.89Å; I118-A121 HydrophobicContact CG2-CB 4.43Å; I118-A121 WeakPolarHBondContact O-CB 3.31Å; I118-A121 PolarHBondContact O-N 2.83Å; I118-A121 VanDerWaalsContact O-N 3.12Å; I119-A121 PolarHBondContact O-N 2.89Å
122	V	94.8	Very high	93.8	Very high	26 Å²	26	48.7 Å²	48.7	16%	0.158	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.9	170.3	-66.3	0	0	0	0	109.4	L102 L103 I104 D105 F146	L102-V122 HydrophobicContact CD1-CG2 3.99Å; L103-V122 PolarHBondContact O-N 2.95Å; I104-V122 CarbonylContact C-O 3.35Å; I104-V122 WeakPolarHBondContact CA-O 3.48Å; I104-V122 HydrophobicContact CG1-CG2 4Å; D105-V122 PolarHBondContact N-O 3.34Å; V122-F146 HydrophobicContact CB-CD1 3.74Å; V122-F146 HydrophobicContact CB-CE1 3.8Å; V122-F146 HydrophobicContact CB-CG 4.13Å; V122-F146 HydrophobicContact CB-CZ 4.25Å; V122-F146 HydrophobicContact CG1-CB 4.02Å; V122-F146 HydrophobicContact CG1-CD1 3.92Å; V122-F146 HydrophobicContact CG1-CD2 4.44Å; V122-F146 HydrophobicContact CG1-CE1 4.46Å; V122-F146 HydrophobicContact CG1-CG 3.9Å; V122-F146 HydrophobicContact CG2-CD1 3.9Å; V122-F146 HydrophobicContact CG2-CD2 4.01Å; V122-F146 HydrophobicContact CG2-CE1 3.61Å; V122-F146 HydrophobicContact CG2-CE2 3.76Å; V122-F146 HydrophobicContact CG2-CG 4.09Å; V122-F146 HydrophobicContact CG2-CZ 3.53Å
123	N	96.4	Very high	93.8	Very high	46 Å²	46	49 Å²	49	25%	0.246	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.8	-178.2	175.1	-124.4	0	0	0	111.4	D105 R107 I112	D105-N123 WeakPolarHBondContact O-CA 3.35Å; D105-N123 PolarHBondContact O-ND2 3.1Å; R107-N123 PolarHBondContact O-ND2 3.29Å; I112-N123 HydrophobicContact CD1-CB 3.81Å; I112-N123 VanDerWaalsContact CD1-CG 3.41Å; I112-N123 WeakPolarHBondContact CD1-ND2 3.29Å
124	V	96.8	Very high	93.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	29%	0.287	C	S	.	.			trans	-138.9	99.5	167.2	-175.5	0	0	0	0	107.6	I104 D105 V106 L129 A132 Y144 F146	I104-V124 HydrophobicContact CG2-CB 3.85Å; I104-V124 HydrophobicContact CG2-CG2 4Å; D105-V124 PolarHBondContact O-N 2.92Å; V106-V124 WeakPolarHBondContact CA-O 3.4Å; V124-L129 HydrophobicContact CB-CD2 4.01Å; V124-L129 HydrophobicContact CG1-CD2 3.55Å; V124-L129 HydrophobicContact CG1-CG 4.08Å; V124-A132 HydrophobicContact CG1-CB 3.91Å; V124-Y144 HydrophobicContact CB-CE1 4.28Å; V124-Y144 HydrophobicContact CG1-CD1 4.49Å; V124-Y144 HydrophobicContact CG1-CE1 3.88Å; V124-Y144 HydrophobicContact CG1-CE2 4.43Å; V124-Y144 HydrophobicContact CG2-CD1 3.85Å; V124-Y144 HydrophobicContact CG2-CE1 4.07Å; V124-Y144 HydrophobicContact CG2-CG 4.1Å; V124-F146 HydrophobicContact CG2-CE1 3.65Å; V124-F146 HydrophobicContact CG2-CZ 3.74Å
125	P	96.8	Very high	94	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.032	26%	0.261	C	S	.	.			trans	-55.7	142.5	-174.9	-27.3	35.5	0	0	0	112.6	P109 G127 Q128 L129	P109-P125 HydrophobicContact CG-CG 4.23Å; P125-G127 PolarHBondContact O-N 2.7Å; P125-G127 VanDerWaalsContact O-N 3.09Å; P125-Q128 HydrophobicContact CB-CG 4.44Å; P125-Q128 WeakPolarHBondContact O-CA 3.41Å; P125-Q128 PolarHBondContact O-N 3.49Å; P125-L129 PolarHBondContact O-N 2.98Å
126	L	96.2	Very high	94.3	Very high	35 Å²	35	46.9 Å²	46.9	18%	0.183	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-50.5	-40.9	-175.6	178.5	63.2	0	0	0	113	V106 Q128 L129 K165 A168 A169 I172	V106-L126 HydrophobicContact CB-CB 4.24Å; V106-L126 HydrophobicContact CG2-CB 4.48Å; V106-L126 PolarHBondContact O-N 2.77Å; L126-Q128 VanDerWaalsContact C-N 3.27Å; L126-Q128 PolarHBondContact O-N 2.69Å; L126-L129 HydrophobicContact CD1-CD1 3.95Å; L126-L129 PolarHBondContact O-N 3.46Å; L126-K165 HydrophobicContact CD2-CB 4.25Å; L126-K165 HydrophobicContact CD2-CG 3.99Å; L126-A168 HydrophobicContact CD1-CB 4.04Å; L126-A168 HydrophobicContact CD2-CB 4.11Å; L126-A169 HydrophobicContact CD1-CB 4.02Å; L126-I172 HydrophobicContact CD1-CD1 3.78Å
127	G	95.5	Very high	94.5	Very high	70 Å²	70	52.5 Å²	52.5	72%	0.722	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22.1	179.3	0	0	0	0	0	114.6	P125	P125-G127 PolarHBondContact O-N 2.7Å; P125-G127 VanDerWaalsContact O-N 3.09Å
128	Q	96.2	Very high	94.7	Very high	71 Å²	71	54.8 Å²	54.8	33%	0.332	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-97.5	-9.9	179.2	-58.4	-173.4	25.5	0	0	113	P125 L126 E131 A132 K143 Y144	P125-Q128 HydrophobicContact CB-CG 4.44Å; P125-Q128 WeakPolarHBondContact O-CA 3.41Å; P125-Q128 PolarHBondContact O-N 3.49Å; L126-Q128 VanDerWaalsContact C-N 3.27Å; L126-Q128 PolarHBondContact O-N 2.69Å; Q128-E131 PolarHBondContact O-N 2.79Å; Q128-A132 VanDerWaalsContact O-CB 3.31Å; Q128-A132 WeakPolarHBondContact O-CB 3.44Å; Q128-A132 PolarHBondContact O-N 3.08Å; Q128-K143 VanDerWaalsContact OE1-CE 3.32Å; Q128-Y144 PolarHBondContact OE1-OH 2.75Å
129	L	95.5	Very high	95	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-55.1	-45.3	-179.2	-82.2	174	0	0	0	114.2	V106 V124 P125 L126 E131 A132 F133 F158 A169 I172	V106-L129 HydrophobicContact CB-CD1 4.36Å; V106-L129 HydrophobicContact CG1-CD1 3.77Å; V124-L129 HydrophobicContact CB-CD2 4.01Å; V124-L129 HydrophobicContact CG1-CD2 3.55Å; V124-L129 HydrophobicContact CG1-CG 4.08Å; P125-L129 PolarHBondContact O-N 2.98Å; L126-L129 HydrophobicContact CD1-CD1 3.95Å; L126-L129 PolarHBondContact O-N 3.46Å; L129-E131 PolarHBondContact O-N 3.13Å; L129-A132 WeakPolarHBondContact O-CB 3.43Å; L129-A132 PolarHBondContact O-N 2.79Å; L129-F133 HydrophobicContact CB-CE2 4.27Å; L129-F133 HydrophobicContact CD2-CE1 4.42Å; L129-F133 HydrophobicContact CD2-CE2 4.18Å; L129-F133 HydrophobicContact CD2-CZ 3.81Å; L129-F133 VanDerWaalsContact O-CD2 3.31Å; L129-F133 WeakPolarHBondContact O-CD2 3.23Å; L129-F133 WeakPolarHBondContact O-CG 3.17Å; L129-F133 PolarHBondContact O-N 2.98Å; L129-F158 HydrophobicContact CD1-CE1 4.44Å; L129-F158 HydrophobicContact CD2-CE1 4.06Å; L129-A169 HydrophobicContact CD1-CB 3.53Å; L129-I172 HydrophobicContact CB-CG2 4.23Å
130	P	95.3	Very high	95.4	Very high	45 Å²	45	51.6 Å²	51.6	29%	0.292	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-47.3	179.3	-23.3	33.7	0	0	0	112.4	A132 F133 E134 I172	P130-A132 VanDerWaalsContact C-N 3.33Å; P130-A132 PolarHBondContact O-N 2.67Å; P130-F133 PolarHBondContact O-N 2.71Å; P130-E134 WeakPolarHBondContact O-CG 3.37Å; P130-E134 PolarHBondContact O-N 2.98Å; P130-I172 HydrophobicContact CB-CG2 4.49Å; P130-I172 HydrophobicContact CG-CD1 4.31Å; P130-I172 HydrophobicContact CG-CG2 3.92Å
131	E	96.1	Very high	95.8	Very high	102 Å²	102	53.5 Å²	53.5	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-45.1	175.6	-173.2	-164.7	-175.8	0	0	110.3	Q128 L129 F133 E134 M135 K143	Q128-E131 PolarHBondContact O-N 2.79Å; L129-E131 PolarHBondContact O-N 3.13Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3.3Å; E131-E134 PolarHBondContact O-N 3.01Å; E131-M135 HydrophobicContact CG-CG 4.46Å; E131-M135 VanDerWaalsContact O-CG 3.25Å; E131-M135 WeakPolarHBondContact O-CG 3.29Å; E131-M135 PolarHBondContact O-N 3.29Å; E131-K143 IonicContact OE1-NZ 3.58Å; E131-K143 IonicContact OE2-NZ 3.85Å; E131-K143 PolarHBondContact OE2-NZ 3.38Å; E131-K143 VanDerWaalsContact OE2-NZ 3.08Å
132	A	96	Very high	96	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-38.3	179.9	0	0	0	0	0	112.5	V124 Q128 L129 P130 E134 F140 Y144	V124-A132 HydrophobicContact CG1-CB 3.91Å; Q128-A132 VanDerWaalsContact O-CB 3.31Å; Q128-A132 WeakPolarHBondContact O-CB 3.44Å; Q128-A132 PolarHBondContact O-N 3.08Å; L129-A132 WeakPolarHBondContact O-CB 3.43Å; L129-A132 PolarHBondContact O-N 2.79Å; P130-A132 VanDerWaalsContact C-N 3.33Å; P130-A132 PolarHBondContact O-N 2.67Å; A132-E134 VanDerWaalsContact C-N 3.34Å; A132-F140 HydrophobicContact CB-CD2 4.25Å; A132-F140 HydrophobicContact CB-CE2 3.89Å; A132-F140 VanDerWaalsContact O-CD2 3.29Å; A132-F140 WeakPolarHBondContact O-CD2 3.08Å; A132-Y144 HydrophobicContact CB-CE2 3.62Å
133	F	94.1	Very high	96.1	Very high	18 Å²	18	65.4 Å²	65.4	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-74.3	-21.7	176.1	-64.3	-37.1	0	0	0	113.9	L129 P130 E131 K148 P149 F158 I172 A173 H176 F178	L129-F133 HydrophobicContact CB-CE2 4.27Å; L129-F133 HydrophobicContact CD2-CE1 4.42Å; L129-F133 HydrophobicContact CD2-CE2 4.18Å; L129-F133 HydrophobicContact CD2-CZ 3.81Å; L129-F133 VanDerWaalsContact O-CD2 3.31Å; L129-F133 WeakPolarHBondContact O-CD2 3.23Å; L129-F133 WeakPolarHBondContact O-CG 3.17Å; L129-F133 PolarHBondContact O-N 2.98Å; P130-F133 PolarHBondContact O-N 2.71Å; E131-F133 VanDerWaalsContact C-N 3.28Å; E131-F133 PolarHBondContact O-N 3.3Å; F133-K148 WeakPolarHBondContact O-CE 3.25Å; F133-K148 PolarHBondContact O-NZ 3.4Å; F133-P149 HydrophobicContact CE1-CG 4.13Å; F133-F158 HydrophobicContact CZ-CE1 4.4Å; F133-F158 AromaticContact CZ-CZ 3.87Å; F133-F158 HydrophobicContact CZ-CZ 3.87Å; F133-I172 HydrophobicContact CD2-CG2 4.05Å; F133-I172 HydrophobicContact CE2-CG2 3.98Å; F133-A173 HydrophobicContact CE2-CB 4.09Å; F133-A173 HydrophobicContact CZ-CB 4.23Å; F133-H176 HydrophobicContact CB-CB 3.94Å; F133-H176 HydrophobicContact CD2-CB 3.96Å; F133-H176 AromaticContact CD2-CD2 3.8Å; F133-H176 AromaticContact CD2-CG 3.89Å; F133-H176 HydrophobicContact CG-CB 4.22Å; F133-F178 AromaticContact CD1-CE2 3.68Å; F133-F178 HydrophobicContact CD1-CE2 3.68Å; F133-F178 HydrophobicContact CD1-CZ 4Å; F133-F178 HydrophobicContact CD2-CE2 4.4Å; F133-F178 AromaticContact CE1-CE2 3.64Å; F133-F178 HydrophobicContact CE1-CE2 3.64Å; F133-F178 AromaticContact CE1-CZ 3.76Å; F133-F178 HydrophobicContact CE1-CZ 3.76Å; F133-F178 HydrophobicContact CE2-CE2 4.36Å; F133-F178 HydrophobicContact CG-CE2 4.09Å; F133-F178 HydrophobicContact CZ-CE2 4Å; F133-F178 HydrophobicContact CZ-CZ 4.38Å
134	E	94.1	Very high	96	Very high	147 Å²	147	64.7 Å²	64.7	69%	0.687	33%	0.33	S	S	*	.	H	α-helix	trans	-88.5	-21.9	176.4	-68.8	175.8	-179.2	0	0	113.3	P130 E131 A132 H176	P130-E134 WeakPolarHBondContact O-CG 3.37Å; P130-E134 PolarHBondContact O-N 2.98Å; E131-E134 PolarHBondContact O-N 3.01Å; A132-E134 VanDerWaalsContact C-N 3.34Å; E134-H176 IonicContact OE1-CE1 3.43Å; E134-H176 PolarHBondContact OE1-CE1 3.24Å
135	M	95.1	Very high	95.9	Very high	34 Å²	34	70.8 Å²	70.8	17%	0.167	36%	0.363	C	S	.	.	S	Bend	trans	-59.7	150.4	178.9	-76.8	175	86.9	0	0	113.3	E131 S139 F140 K143 Y144 K148	E131-M135 HydrophobicContact CG-CG 4.46Å; E131-M135 VanDerWaalsContact O-CG 3.25Å; E131-M135 WeakPolarHBondContact O-CG 3.29Å; E131-M135 PolarHBondContact O-N 3.29Å; M135-S139 WeakPolarHBondContact CE-O 3.49Å; M135-F140 HydrophobicContact CB-CB 4.39Å; M135-K143 HydrophobicContact CE-CB 4.1Å; M135-K143 HydrophobicContact CE-CD 3.83Å; M135-K143 HydrophobicContact SD-CD 3.98Å; M135-Y144 HydrophobicContact SD-CE2 4.3Å; M135-K148 PolarHBondContact O-NZ 3.29Å
136	T	96.2	Very high	95.8	Very high	90 Å²	90	71.5 Å²	71.5	55%	0.552	37%	0.365	S	S	*	.			trans	-66	154	167.3	66.5	0	0	0	0	110.9	E138 S139 F140	T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 PolarHBondContact O-N 3.45Å; T136-S139 PolarHBondContact N-OG 2.96Å; T136-S139 PolarHBondContact O-N 2.88Å; T136-S139 PolarHBondContact O-OG 2.78Å; T136-S139 WeakPolarHBondContact OG1-CB 3.42Å; T136-S139 PolarHBondContact OG1-N 3.19Å; T136-S139 PolarHBondContact OG1-OG 2.73Å; T136-F140 WeakPolarHBondContact O-CB 3.33Å; T136-F140 PolarHBondContact O-N 3.3Å
137	E	95.8	Very high	95.7	Very high	121 Å²	121	77.7 Å²	77.7	57%	0.565	39%	0.393	S	S	*	.	H	α-helix	trans	-55.2	-43.3	179.1	-67.4	173.6	-165.5	0	0	112.2	F140 F141 K148 H150	E137-F140 PolarHBondContact O-N 3.1Å; E137-F141 WeakPolarHBondContact O-CB 3.14Å; E137-F141 PolarHBondContact O-N 3.31Å; E137-K148 HydrophobicContact CG-CB 4.41Å; E137-K148 HydrophobicContact CG-CD 4.43Å; E137-H150 IonicContact OE1-CE1 3.91Å; E137-H150 PolarHBondContact OE1-CE1 2.98Å
138	E	96.6	Very high	95.6	Very high	168 Å²	168	76.4 Å²	76.4	79%	0.785	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-46.8	177.8	-63.6	-175.5	173.3	0	0	112.2	T136 F140 K142	T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 PolarHBondContact O-N 3.45Å; E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 3.21Å; E138-K142 WeakPolarHBondContact O-CB 3.49Å; E138-K142 PolarHBondContact O-N 2.98Å
139	S	96.8	Very high	95.4	Very high	38 Å²	38	73.3 Å²	73.3	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-36	178.2	58.7	0	0	0	0	112.5	M135 T136 K143	M135-S139 WeakPolarHBondContact CE-O 3.49Å; T136-S139 PolarHBondContact N-OG 2.96Å; T136-S139 PolarHBondContact O-N 2.88Å; T136-S139 PolarHBondContact O-OG 2.78Å; T136-S139 WeakPolarHBondContact OG1-CB 3.42Å; T136-S139 PolarHBondContact OG1-N 3.19Å; T136-S139 PolarHBondContact OG1-OG 2.73Å; S139-K143 WeakPolarHBondContact O-CB 3.44Å; S139-K143 PolarHBondContact O-N 3.09Å; S139-K143 VanDerWaalsContact O-N 3.1Å
140	F	97.5	Very high	95.2	Very high	2 Å²	2	77.8 Å²	77.8	1%	0.009	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-50.2	178.6	-177.7	-81.3	0	0	0	110.1	A132 M135 T136 E137 E138 K142 K143 Y144 F146 K148	A132-F140 HydrophobicContact CB-CD2 4.25Å; A132-F140 HydrophobicContact CB-CE2 3.89Å; A132-F140 VanDerWaalsContact O-CD2 3.29Å; A132-F140 WeakPolarHBondContact O-CD2 3.08Å; M135-F140 HydrophobicContact CB-CB 4.39Å; T136-F140 WeakPolarHBondContact O-CB 3.33Å; T136-F140 PolarHBondContact O-N 3.3Å; E137-F140 PolarHBondContact O-N 3.1Å; E138-F140 VanDerWaalsContact C-N 3.32Å; E138-F140 PolarHBondContact O-N 3.21Å; F140-K142 VanDerWaalsContact C-N 3.28Å; F140-K142 PolarHBondContact O-N 2.88Å; F140-K143 PolarHBondContact O-N 3.12Å; F140-K143 VanDerWaalsContact O-N 3.07Å; F140-Y144 HydrophobicContact CD1-CD2 4.25Å; F140-Y144 AromaticContact CD2-CD2 3.74Å; F140-Y144 HydrophobicContact CD2-CD2 3.74Å; F140-Y144 AromaticContact CD2-CE2 3.98Å; F140-Y144 HydrophobicContact CD2-CE2 3.98Å; F140-Y144 HydrophobicContact CE1-CD2 4.16Å; F140-Y144 AromaticContact CE2-CD2 3.68Å; F140-Y144 HydrophobicContact CE2-CD2 3.68Å; F140-Y144 AromaticContact CE2-CE2 3.95Å; F140-Y144 HydrophobicContact CE2-CE2 3.95Å; F140-Y144 HydrophobicContact CG-CD2 4.05Å; F140-Y144 AromaticContact CZ-CD2 3.9Å; F140-Y144 HydrophobicContact CZ-CD2 3.9Å; F140-Y144 PolarHBondContact O-N 3.19Å; F140-F146 WeakPolarHBondContact CD1-O 3.25Å; F140-F146 HydrophobicContact CE1-CD1 4.01Å; F140-F146 AromaticContact CE1-CD2 3.99Å; F140-F146 HydrophobicContact CE1-CD2 3.99Å; F140-F146 AromaticContact CE1-CE1 3.69Å; F140-F146 HydrophobicContact CE1-CE1 3.69Å; F140-F146 AromaticContact CE1-CE2 3.65Å; F140-F146 HydrophobicContact CE1-CE2 3.65Å; F140-F146 HydrophobicContact CE1-CG 4.16Å; F140-F146 AromaticContact CE1-CZ 3.52Å; F140-F146 HydrophobicContact CE1-CZ 3.52Å; F140-F146 WeakPolarHBondContact CE1-O 3.32Å; F140-F146 HydrophobicContact CZ-CD1 4.5Å; F140-F146 AromaticContact CZ-CE1 3.73Å; F140-F146 HydrophobicContact CZ-CE1 3.73Å; F140-F146 AromaticContact CZ-CE2 3.74Å; F140-F146 HydrophobicContact CZ-CE2 3.74Å; F140-F146 AromaticContact CZ-CZ 3.3Å; F140-F146 HydrophobicContact CZ-CZ 3.3Å; F140-K148 HydrophobicContact CB-CB 4.15Å; F140-K148 HydrophobicContact CB-CD 4.35Å; F140-K148 HydrophobicContact CB-CG 4.39Å; F140-K148 HydrophobicContact CD1-CB 3.62Å; F140-K148 HydrophobicContact CD1-CG 4.15Å; F140-K148 HydrophobicContact CD2-CB 4.23Å; F140-K148 HydrophobicContact CD2-CD 4.25Å; F140-K148 HydrophobicContact CD2-CG 3.85Å; F140-K148 VanDerWaalsContact CE1-CA 3.46Å; F140-K148 HydrophobicContact CE1-CB 4.02Å; F140-K148 HydrophobicContact CE1-CG 4.4Å; F140-K148 HydrophobicContact CE2-CG 4.07Å; F140-K148 HydrophobicContact CG-CB 3.73Å; F140-K148 HydrophobicContact CG-CD 4.3Å; F140-K148 HydrophobicContact CG-CG 3.87Å; F140-K148 HydrophobicContact CZ-CB 4.44Å; F140-K148 HydrophobicContact CZ-CG 4.34Å
141	F	96.7	Very high	94.8	Very high	104 Å²	104	80 Å²	80	46%	0.456	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-40.7	178.3	-172.3	-92.7	0	0	0	111.3	E137 K143 N145 F146	E137-F141 WeakPolarHBondContact O-CB 3.14Å; E137-F141 PolarHBondContact O-N 3.31Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 3.13Å; F141-N145 WeakPolarHBondContact O-CA 3.4Å; F141-N145 PolarHBondContact O-N 3.35Å; F141-F146 WeakPolarHBondContact CD2-O 3.37Å
142	K	97.2	Very high	94.3	Very high	187 Å²	187	82.3 Å²	82.3	81%	0.813	39%	0.388	S	S	*	.	H	α-helix	trans	-63.3	-35.1	175.7	-173.4	177.7	179	-178.5	0	113.3	E138 F140	E138-K142 WeakPolarHBondContact O-CB 3.49Å; E138-K142 PolarHBondContact O-N 2.98Å; F140-K142 VanDerWaalsContact C-N 3.28Å; F140-K142 PolarHBondContact O-N 2.88Å
143	K	96.5	Very high	93.7	Very high	88 Å²	88	85.2 Å²	85.2	38%	0.383	40%	0.403	S	S	.	.	H	α-helix	trans	-82.6	-47.5	-177.1	-173.5	174.7	177.9	-176	0	112.3	Q128 E131 M135 S139 F140 F141	Q128-K143 VanDerWaalsContact OE1-CE 3.32Å; E131-K143 IonicContact OE1-NZ 3.58Å; E131-K143 IonicContact OE2-NZ 3.85Å; E131-K143 PolarHBondContact OE2-NZ 3.38Å; E131-K143 VanDerWaalsContact OE2-NZ 3.08Å; M135-K143 HydrophobicContact CE-CB 4.1Å; M135-K143 HydrophobicContact CE-CD 3.83Å; M135-K143 HydrophobicContact SD-CD 3.98Å; S139-K143 WeakPolarHBondContact O-CB 3.44Å; S139-K143 PolarHBondContact O-N 3.09Å; S139-K143 VanDerWaalsContact O-N 3.1Å; F140-K143 PolarHBondContact O-N 3.12Å; F140-K143 VanDerWaalsContact O-N 3.07Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 3.13Å
144	Y	95.9	Very high	93	Very high	31 Å²	31	87.3 Å²	87.3	12%	0.122	42%	0.424	C	S	.	.	H	α-helix	trans	-106.1	-9.3	-171.7	-58.4	-71.2	0	0	0	114.5	V124 Q128 A132 M135 F140 F146	V124-Y144 HydrophobicContact CB-CE1 4.28Å; V124-Y144 HydrophobicContact CG1-CD1 4.49Å; V124-Y144 HydrophobicContact CG1-CE1 3.88Å; V124-Y144 HydrophobicContact CG1-CE2 4.43Å; V124-Y144 HydrophobicContact CG2-CD1 3.85Å; V124-Y144 HydrophobicContact CG2-CE1 4.07Å; V124-Y144 HydrophobicContact CG2-CG 4.1Å; Q128-Y144 PolarHBondContact OE1-OH 2.75Å; A132-Y144 HydrophobicContact CB-CE2 3.62Å; M135-Y144 HydrophobicContact SD-CE2 4.3Å; F140-Y144 HydrophobicContact CD1-CD2 4.25Å; F140-Y144 AromaticContact CD2-CD2 3.74Å; F140-Y144 HydrophobicContact CD2-CD2 3.74Å; F140-Y144 AromaticContact CD2-CE2 3.98Å; F140-Y144 HydrophobicContact CD2-CE2 3.98Å; F140-Y144 HydrophobicContact CE1-CD2 4.16Å; F140-Y144 AromaticContact CE2-CD2 3.68Å; F140-Y144 HydrophobicContact CE2-CD2 3.68Å; F140-Y144 AromaticContact CE2-CE2 3.95Å; F140-Y144 HydrophobicContact CE2-CE2 3.95Å; F140-Y144 HydrophobicContact CG-CD2 4.05Å; F140-Y144 AromaticContact CZ-CD2 3.9Å; F140-Y144 HydrophobicContact CZ-CD2 3.9Å; F140-Y144 PolarHBondContact O-N 3.19Å; Y144-F146 VanDerWaalsContact C-N 3.3Å; Y144-F146 VanDerWaalsContact CB-CE1 3.47Å; Y144-F146 HydrophobicContact CG-CE1 4.19Å; Y144-F146 PolarHBondContact O-N 3.45Å
145	N	94.7	Very high	92.6	Very high	130 Å²	130	81.9 Å²	81.9	70%	0.695	40%	0.399	S	S	*	.	S	Bend	trans	60	35.7	177.8	-164.4	70.9	0	0	0	113.9	F141	F141-N145 WeakPolarHBondContact O-CA 3.4Å; F141-N145 PolarHBondContact O-N 3.35Å
146	F	94.5	Very high	92.5	Very high	19 Å²	19	80.3 Å²	80.3	8%	0.083	39%	0.392	C	S	.	.	S	Bend	trans	-149.6	163.7	168.2	76.1	-83.1	0	0	0	110.9	L102 V122 V124 F140 F141 Y144	L102-F146 HydrophobicContact CD1-CD2 4.03Å; L102-F146 HydrophobicContact CD1-CE2 4.05Å; L102-F146 HydrophobicContact CD2-CE2 4.18Å; V122-F146 HydrophobicContact CB-CD1 3.74Å; V122-F146 HydrophobicContact CB-CE1 3.8Å; V122-F146 HydrophobicContact CB-CG 4.13Å; V122-F146 HydrophobicContact CB-CZ 4.25Å; V122-F146 HydrophobicContact CG1-CB 4.02Å; V122-F146 HydrophobicContact CG1-CD1 3.92Å; V122-F146 HydrophobicContact CG1-CD2 4.44Å; V122-F146 HydrophobicContact CG1-CE1 4.46Å; V122-F146 HydrophobicContact CG1-CG 3.9Å; V122-F146 HydrophobicContact CG2-CD1 3.9Å; V122-F146 HydrophobicContact CG2-CD2 4.01Å; V122-F146 HydrophobicContact CG2-CE1 3.61Å; V122-F146 HydrophobicContact CG2-CE2 3.76Å; V122-F146 HydrophobicContact CG2-CG 4.09Å; V122-F146 HydrophobicContact CG2-CZ 3.53Å; V124-F146 HydrophobicContact CG2-CE1 3.65Å; V124-F146 HydrophobicContact CG2-CZ 3.74Å; F140-F146 WeakPolarHBondContact CD1-O 3.25Å; F140-F146 HydrophobicContact CE1-CD1 4.01Å; F140-F146 AromaticContact CE1-CD2 3.99Å; F140-F146 HydrophobicContact CE1-CD2 3.99Å; F140-F146 AromaticContact CE1-CE1 3.69Å; F140-F146 HydrophobicContact CE1-CE1 3.69Å; F140-F146 AromaticContact CE1-CE2 3.65Å; F140-F146 HydrophobicContact CE1-CE2 3.65Å; F140-F146 HydrophobicContact CE1-CG 4.16Å; F140-F146 AromaticContact CE1-CZ 3.52Å; F140-F146 HydrophobicContact CE1-CZ 3.52Å; F140-F146 WeakPolarHBondContact CE1-O 3.32Å; F140-F146 HydrophobicContact CZ-CD1 4.5Å; F140-F146 AromaticContact CZ-CE1 3.73Å; F140-F146 HydrophobicContact CZ-CE1 3.73Å; F140-F146 AromaticContact CZ-CE2 3.74Å; F140-F146 HydrophobicContact CZ-CE2 3.74Å; F140-F146 AromaticContact CZ-CZ 3.3Å; F140-F146 HydrophobicContact CZ-CZ 3.3Å; F141-F146 WeakPolarHBondContact CD2-O 3.37Å; Y144-F146 VanDerWaalsContact C-N 3.3Å; Y144-F146 VanDerWaalsContact CB-CE1 3.47Å; Y144-F146 HydrophobicContact CG-CE1 4.19Å; Y144-F146 PolarHBondContact O-N 3.45Å
147	E	93.5	Very high	92.3	Very high	165 Å²	165	76.1 Å²	76.1	77%	0.771	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-66.7	136.6	179.6	-67.6	-178.4	177	0	0	111.1
148	K	93.6	Very high	92.2	Very high	44 Å²	44	70.3 Å²	70.3	19%	0.191	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.6	128.2	-179.3	-173.6	-178.4	177.8	-172.4	0	109.5	F133 M135 E137 F140 H150	F133-K148 WeakPolarHBondContact O-CE 3.25Å; F133-K148 PolarHBondContact O-NZ 3.4Å; M135-K148 PolarHBondContact O-NZ 3.29Å; E137-K148 HydrophobicContact CG-CB 4.41Å; E137-K148 HydrophobicContact CG-CD 4.43Å; F140-K148 HydrophobicContact CB-CB 4.15Å; F140-K148 HydrophobicContact CB-CD 4.35Å; F140-K148 HydrophobicContact CB-CG 4.39Å; F140-K148 HydrophobicContact CD1-CB 3.62Å; F140-K148 HydrophobicContact CD1-CG 4.15Å; F140-K148 HydrophobicContact CD2-CB 4.23Å; F140-K148 HydrophobicContact CD2-CD 4.25Å; F140-K148 HydrophobicContact CD2-CG 3.85Å; F140-K148 VanDerWaalsContact CE1-CA 3.46Å; F140-K148 HydrophobicContact CE1-CB 4.02Å; F140-K148 HydrophobicContact CE1-CG 4.4Å; F140-K148 HydrophobicContact CE2-CG 4.07Å; F140-K148 HydrophobicContact CG-CB 3.73Å; F140-K148 HydrophobicContact CG-CD 4.3Å; F140-K148 HydrophobicContact CG-CG 3.87Å; F140-K148 HydrophobicContact CZ-CB 4.44Å; F140-K148 HydrophobicContact CZ-CG 4.34Å; K148-H150 PolarHBondContact O-N 2.95Å
149	P	92.8	Very high	92	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.032	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-63.8	130.8	177	25.5	-32.4	0	0	0	110.2	L102 I104 F133 V156 F178	L102-P149 HydrophobicContact CD2-CB 3.71Å; L102-P149 HydrophobicContact CD2-CG 4.33Å; I104-P149 HydrophobicContact CD1-CG 4.21Å; F133-P149 HydrophobicContact CE1-CG 4.13Å; P149-V156 HydrophobicContact CB-CG2 4.37Å; P149-F178 HydrophobicContact CB-CE1 3.93Å; P149-F178 HydrophobicContact CB-CZ 4.01Å; P149-F178 HydrophobicContact CG-CE1 4.38Å; P149-F178 HydrophobicContact CG-CZ 3.99Å; P149-F178 WeakPolarHBondContact O-CZ 3.39Å
150	H	90	Very high	91.8	Very high	96 Å²	96	61.2 Å²	61.2	44%	0.444	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-84.6	153.3	174.3	-67.9	-73.9	0	0	0	111.2	E137 K148 Y152 D153 F178	E137-H150 IonicContact OE1-CE1 3.91Å; E137-H150 PolarHBondContact OE1-CE1 2.98Å; K148-H150 PolarHBondContact O-N 2.95Å; H150-Y152 PolarHBondContact O-N 3.14Å; H150-D153 IonicContact CD2-OD2 4Å; H150-D153 PolarHBondContact N-OD2 2.84Å; H150-D153 WeakPolarHBondContact O-CB 3.22Å; H150-D153 PolarHBondContact O-N 3.03Å; H150-D153 VanDerWaalsContact O-N 3.07Å; H150-F178 VanDerWaalsContact O-CE1 3.29Å; H150-F178 WeakPolarHBondContact O-CE1 3.45Å
151	M	87.4	Confident	91.3	Very high	92 Å²	92	64.8 Å²	64.8	45%	0.453	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.7	-178.8	-65.2	172.9	-173.1	0	0	114.8	H176 G177 T179	M151-H176 WeakPolarHBondContact CE-O 3.34Å; M151-G177 WeakPolarHBondContact CB-O 3.31Å; M151-T179 PolarHBondContact O-N 3.06Å; M151-T179 PolarHBondContact O-OG1 2.96Å
152	Y	84.8	Confident	90.7	Very high	150 Å²	150	62.1 Å²	62.1	59%	0.588	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	5.5	-175.8	-52.9	-68.6	0	0	0	113.5	H150 T179 K180	H150-Y152 PolarHBondContact O-N 3.14Å; Y152-T179 WeakPolarHBondContact CD1-OG1 3.25Å; Y152-K180 WeakPolarHBondContact O-CD 3.36Å; Y152-K180 WeakPolarHBondContact O-CE 3.46Å; Y152-K180 PolarHBondContact O-NZ 3.37Å
153	D	84.2	Confident	90.1	Very high	61 Å²	61	58.9 Å²	58.9	33%	0.326	30%	0.295	S	S	.	.			trans	-65.1	140.3	174.8	-71.1	-15.2	0	0	0	109.4	H150 V156	H150-D153 IonicContact CD2-OD2 4Å; H150-D153 PolarHBondContact N-OD2 2.84Å; H150-D153 WeakPolarHBondContact O-CB 3.22Å; H150-D153 PolarHBondContact O-N 3.03Å; H150-D153 VanDerWaalsContact O-N 3.07Å; D153-V156 HydrophobicContact CB-CG2 4.03Å
154	A	79.8	Confident	89.8	Confident	62 Å²	62	60 Å²	60	51%	0.512	30%	0.304	S	S	.	.	S	Bend	trans	-84.8	158.4	170.9	0	0	0	0	0	109.3	V156	A154-V156 PolarHBondContact O-N 2.92Å
155	N	85.3	Confident	89.6	Confident	32 Å²	32	60.2 Å²	60.2	17%	0.171	31%	0.306	C	S	.	.			trans	60	40.4	168.2	-48.6	-22.5	0	0	0	114	D100 V101 L102	D100-N155 WeakPolarHBondContact O-CB 3.27Å; D100-N155 PolarHBondContact O-ND2 3.4Å; D100-N155 PolarHBondContact OD2-ND2 3.44Å; V101-N155 HydrophobicContact CB-CB 4.46Å; V101-N155 WeakPolarHBondContact CG2-O 3.48Å; L102-N155 PolarHBondContact N-O 2.77Å
156	V	91.8	Very high	89.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.9	167.2	-177.1	0	0	0	0	108.3	L102 I104 P149 D153 A154 F158 V182 S183	L102-V156 HydrophobicContact CD2-CG2 4.35Å; I104-V156 HydrophobicContact CD1-CG1 3.85Å; P149-V156 HydrophobicContact CB-CG2 4.37Å; D153-V156 HydrophobicContact CB-CG2 4.03Å; A154-V156 PolarHBondContact O-N 2.92Å; V156-F158 HydrophobicContact CG1-CE2 4.29Å; V156-F158 HydrophobicContact CG1-CZ 4.1Å; V156-V182 HydrophobicContact CB-CG2 4.5Å; V156-V182 WeakPolarHBondContact O-CA 3.43Å; V156-S183 PolarHBondContact O-N 3.43Å
157	V	92.3	Very high	89.2	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127	-171.1	176.1	0	0	0	0	109.9	V87 L92 V101 L102 L103 I104 V185	V87-V157 HydrophobicContact CG2-CG2 4.48Å; L92-V157 HydrophobicContact CD1-CG1 4.12Å; V101-V157 HydrophobicContact CG2-CB 3.93Å; V101-V157 HydrophobicContact CG2-CG2 3.6Å; L102-V157 PolarHBondContact O-N 3.32Å; L103-V157 HydrophobicContact CD1-CB 4.18Å; L103-V157 HydrophobicContact CD1-CG1 3.86Å; I104-V157 PolarHBondContact N-O 3.47Å; V157-V185 HydrophobicContact CG1-CB 4.49Å; V157-V185 HydrophobicContact CG1-CG2 3.08Å
158	F	94.3	Very high	89.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.8	-180	-69	-68.1	0	0	0	111.6	I104 V106 L129 F133 V156 S166 A169 V170 A173 V182 S183 V185	I104-F158 HydrophobicContact CB-CD1 3.74Å; I104-F158 HydrophobicContact CB-CE1 3.77Å; I104-F158 HydrophobicContact CD1-CD1 4.44Å; I104-F158 HydrophobicContact CD1-CE1 3.65Å; I104-F158 HydrophobicContact CD1-CZ 4.13Å; I104-F158 HydrophobicContact CG1-CE1 4.25Å; I104-F158 HydrophobicContact CG2-CD1 3.96Å; I104-F158 HydrophobicContact CG2-CE1 3.85Å; I104-F158 WeakPolarHBondContact O-CA 3.37Å; V106-F158 HydrophobicContact CG1-CB 4.36Å; V106-F158 HydrophobicContact CG1-CD1 3.59Å; V106-F158 HydrophobicContact CG1-CE1 4.37Å; V106-F158 HydrophobicContact CG1-CG 4.37Å; L129-F158 HydrophobicContact CD1-CE1 4.44Å; L129-F158 HydrophobicContact CD2-CE1 4.06Å; F133-F158 HydrophobicContact CZ-CE1 4.4Å; F133-F158 AromaticContact CZ-CZ 3.87Å; F133-F158 HydrophobicContact CZ-CZ 3.87Å; V156-F158 HydrophobicContact CG1-CE2 4.29Å; V156-F158 HydrophobicContact CG1-CZ 4.1Å; F158-S166 WeakPolarHBondContact O-CB 3.45Å; F158-A169 HydrophobicContact CB-CB 3.84Å; F158-A169 HydrophobicContact CD1-CB 3.81Å; F158-A169 HydrophobicContact CD2-CB 4.06Å; F158-A169 HydrophobicContact CE1-CB 4.42Å; F158-A169 HydrophobicContact CG-CB 3.63Å; F158-V170 HydrophobicContact CD2-CG2 4.03Å; F158-A173 HydrophobicContact CE2-CB 3.76Å; F158-A173 HydrophobicContact CZ-CB 4.16Å; F158-V182 HydrophobicContact CD2-CG1 3.39Å; F158-V182 HydrophobicContact CE2-CG1 3.23Å; F158-V182 HydrophobicContact CZ-CG1 4.49Å; F158-S183 PolarHBondContact N-O 3.32Å; F158-S183 VanDerWaalsContact N-O 3.1Å; F158-V185 PolarHBondContact O-N 2.92Å; F158-V185 VanDerWaalsContact O-N 3.13Å
159	H	93.4	Very high	89.2	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.1	175.8	170.5	68.9	0	0	0	111.1	L103 I104 D105 V106 I118 V185 V188 F193	L103-H159 HydrophobicContact CD1-CB 3.94Å; I104-H159 PolarHBondContact O-N 2.87Å; D105-H159 IonicContact OD1-CD2 3.08Å; D105-H159 IonicContact OD2-CD2 3.37Å; V106-H159 VanDerWaalsContact CG2-O 3.25Å; V106-H159 WeakPolarHBondContact CG2-O 3.34Å; V106-H159 PolarHBondContact N-O 3.04Å; I118-H159 HydrophobicContact CD1-CB 4.46Å; H159-V185 HydrophobicContact CB-CG2 4.31Å; H159-V188 WeakPolarHBondContact ND1-CG2 3.29Å; H159-F193 AromaticContact CE1-CZ 3.84Å; H159-F193 AromaticContact NE2-CE1 3.56Å; H159-F193 AromaticContact NE2-CZ 3.57Å
160	G	91.8	Very high	89.2	Confident	8 Å²	8	46 Å²	46	8%	0.082	24%	0.243	C	C	.	.			trans	-141.4	172.4	170.1	0	0	0	0	0	111.3	S162	G160-S162 PolarHBondContact O-N 3.39Å
161	L	86.7	Confident	89.3	Confident	78 Å²	78	44.9 Å²	44.9	41%	0.408	24%	0.238	S	C	.	.	S	Bend	trans	-60.8	-34	179	-99.7	-177.6	0	0	0	114.2	R107 E111	R107-L161 HydrophobicContact CG-CB 4.48Å; R107-L161 HydrophobicContact CG-CG 4.17Å; E111-L161 HydrophobicContact CB-CD1 4.17Å; E111-L161 HydrophobicContact CG-CD1 4.05Å; E111-L161 WeakPolarHBondContact OE1-CD1 3.26Å
162	S	84.2	Confident	89.6	Confident	48 Å²	48	42 Å²	42	34%	0.336	22%	0.224	S	C	.	.	S	Bend	trans	-125.5	154.9	175.7	63.9	0	0	0	0	108.6	G160 I164 K165	G160-S162 PolarHBondContact O-N 3.39Å; S162-I164 PolarHBondContact O-N 3.24Å; S162-K165 PolarHBondContact O-N 3.38Å
163	H	85.4	Confident	90	Very high	119 Å²	119	34.8 Å²	34.8	55%	0.551	20%	0.196	S	C	*	.	H	α-helix	trans	-53.6	-27.7	171.6	67.6	83.3	0	0	0	111.7	K165 S166 T167	H163-K165 PolarHBondContact O-N 3.29Å; H163-S166 WeakPolarHBondContact CA-OG 3.48Å; H163-S166 PolarHBondContact O-N 3.34Å; H163-S166 PolarHBondContact O-OG 3.42Å; H163-T167 VanDerWaalsContact O-CB 3.28Å; H163-T167 WeakPolarHBondContact O-CB 3.23Å; H163-T167 PolarHBondContact O-N 3.49Å; H163-T167 PolarHBondContact O-OG1 3.07Å
164	I	88.6	Confident	90.4	Very high	111 Å²	111	36.8 Å²	36.8	57%	0.569	20%	0.203	S	C	*	.	H	α-helix	trans	-61	-46.1	178.8	-55.5	175.3	0	0	0	110.8	S162 A168	S162-I164 PolarHBondContact O-N 3.24Å; I164-A168 VanDerWaalsContact O-CB 3.25Å; I164-A168 WeakPolarHBondContact O-CB 3.5Å; I164-A168 PolarHBondContact O-N 2.99Å
165	K	91.8	Very high	91	Very high	36 Å²	36	41.5 Å²	41.5	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-45	-179.2	-77.7	-169.2	165.7	-174.9	0	111.3	V106 D108 E111 L126 S162 H163 A168 A169	V106-K165 HydrophobicContact CG2-CB 3.98Å; D108-K165 IonicContact OD2-NZ 2.92Å; D108-K165 PolarHBondContact OD2-NZ 2.88Å; E111-K165 IonicContact OE1-NZ 2.77Å; E111-K165 PolarHBondContact OE1-NZ 3.2Å; E111-K165 IonicContact OE2-NZ 2.67Å; E111-K165 PolarHBondContact OE2-NZ 2.79Å; L126-K165 HydrophobicContact CD2-CB 4.25Å; L126-K165 HydrophobicContact CD2-CG 3.99Å; S162-K165 PolarHBondContact O-N 3.38Å; H163-K165 PolarHBondContact O-N 3.29Å; K165-A168 PolarHBondContact O-N 2.98Å; K165-A169 PolarHBondContact O-N 3.05Å
166	S	91.2	Very high	91.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-41.9	178.3	52	0	0	0	0	112.3	F158 H163 A169 V170	F158-S166 WeakPolarHBondContact O-CB 3.45Å; H163-S166 WeakPolarHBondContact CA-OG 3.48Å; H163-S166 PolarHBondContact O-N 3.34Å; H163-S166 PolarHBondContact O-OG 3.42Å; S166-A169 WeakPolarHBondContact O-CB 3.26Å; S166-A169 PolarHBondContact O-N 3.22Å; S166-V170 VanDerWaalsContact O-CG2 3.23Å; S166-V170 WeakPolarHBondContact O-CG2 3.43Å; S166-V170 PolarHBondContact O-N 3.04Å; S166-V170 VanDerWaalsContact O-N 3.07Å
167	T	91	Very high	91.3	Very high	20 Å²	20	43.5 Å²	43.5	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-43.2	175.9	-60.8	0	0	0	0	111.1	F78 H163 A169 V170 E171	F78-T167 HydrophobicContact CD2-CG2 4.16Å; F78-T167 HydrophobicContact CE2-CG2 4.24Å; H163-T167 VanDerWaalsContact O-CB 3.28Å; H163-T167 WeakPolarHBondContact O-CB 3.23Å; H163-T167 PolarHBondContact O-N 3.49Å; H163-T167 PolarHBondContact O-OG1 3.07Å; T167-A169 VanDerWaalsContact C-N 3.29Å; T167-A169 PolarHBondContact O-N 3.17Å; T167-V170 WeakPolarHBondContact O-CB 3.25Å; T167-V170 PolarHBondContact O-N 3.05Å; T167-E171 WeakPolarHBondContact O-CG 3.45Å; T167-E171 PolarHBondContact O-N 3.39Å
168	A	92.8	Very high	91.1	Very high	30 Å²	30	44 Å²	44	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-38.2	175.6	0	0	0	0	0	112.2	L126 I164 K165 E171 I172	L126-A168 HydrophobicContact CD1-CB 4.04Å; L126-A168 HydrophobicContact CD2-CB 4.11Å; I164-A168 VanDerWaalsContact O-CB 3.25Å; I164-A168 WeakPolarHBondContact O-CB 3.5Å; I164-A168 PolarHBondContact O-N 2.99Å; K165-A168 PolarHBondContact O-N 2.98Å; A168-E171 PolarHBondContact O-N 3.49Å; A168-I172 VanDerWaalsContact O-CG1 3.29Å; A168-I172 WeakPolarHBondContact O-CG1 3.47Å; A168-I172 PolarHBondContact O-N 2.93Å
169	A	93.8	Very high	90.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175	0	0	0	0	0	112.5	V106 L126 L129 F158 K165 S166 T167 I172 A173	V106-A169 HydrophobicContact CB-CB 4.44Å; V106-A169 HydrophobicContact CG1-CB 3.78Å; V106-A169 HydrophobicContact CG2-CB 4.28Å; L126-A169 HydrophobicContact CD1-CB 4.02Å; L129-A169 HydrophobicContact CD1-CB 3.53Å; F158-A169 HydrophobicContact CB-CB 3.84Å; F158-A169 HydrophobicContact CD1-CB 3.81Å; F158-A169 HydrophobicContact CD2-CB 4.06Å; F158-A169 HydrophobicContact CE1-CB 4.42Å; F158-A169 HydrophobicContact CG-CB 3.63Å; K165-A169 PolarHBondContact O-N 3.05Å; S166-A169 WeakPolarHBondContact O-CB 3.26Å; S166-A169 PolarHBondContact O-N 3.22Å; T167-A169 VanDerWaalsContact C-N 3.29Å; T167-A169 PolarHBondContact O-N 3.17Å; A169-I172 PolarHBondContact O-N 3.35Å; A169-A173 WeakPolarHBondContact O-CB 3.31Å; A169-A173 PolarHBondContact O-N 3.35Å
170	V	92.5	Very high	89	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.085	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-45.4	174.3	176.2	0	0	0	0	110.6	F158 S166 T167 I172 A173 H174 V182 P184	F158-V170 HydrophobicContact CD2-CG2 4.03Å; S166-V170 VanDerWaalsContact O-CG2 3.23Å; S166-V170 WeakPolarHBondContact O-CG2 3.43Å; S166-V170 PolarHBondContact O-N 3.04Å; S166-V170 VanDerWaalsContact O-N 3.07Å; T167-V170 WeakPolarHBondContact O-CB 3.25Å; T167-V170 PolarHBondContact O-N 3.05Å; V170-I172 VanDerWaalsContact C-N 3.32Å; V170-I172 PolarHBondContact O-N 3.05Å; V170-A173 PolarHBondContact O-N 2.89Å; V170-H174 PolarHBondContact O-N 3.21Å; V170-V182 HydrophobicContact CB-CG1 4.21Å; V170-V182 HydrophobicContact CG1-CG1 4.05Å; V170-V182 HydrophobicContact CG2-CG1 3.95Å; V170-P184 HydrophobicContact CG2-CB 3.91Å; V170-P184 HydrophobicContact CG2-CG 4.1Å
171	E	92.2	Very high	87.8	Confident	72 Å²	72	59.5 Å²	59.5	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-39.9	177	-71.1	-173.4	172.4	0	0	112.6	T167 A168 K175	T167-E171 WeakPolarHBondContact O-CG 3.45Å; T167-E171 PolarHBondContact O-N 3.39Å; A168-E171 PolarHBondContact O-N 3.49Å; E171-K175 VanDerWaalsContact O-CG 3.3Å; E171-K175 WeakPolarHBondContact O-CG 3.49Å; E171-K175 PolarHBondContact O-N 2.88Å; E171-K175 VanDerWaalsContact O-N 3.14Å
172	I	93.9	Very high	87.2	Confident	30 Å²	30	56.2 Å²	56.2	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-48.4	174.3	-67.7	165	0	0	0	109.5	L126 L129 P130 F133 A168 A169 V170 H174 K175 H176	L126-I172 HydrophobicContact CD1-CD1 3.78Å; L129-I172 HydrophobicContact CB-CG2 4.23Å; P130-I172 HydrophobicContact CB-CG2 4.49Å; P130-I172 HydrophobicContact CG-CD1 4.31Å; P130-I172 HydrophobicContact CG-CG2 3.92Å; F133-I172 HydrophobicContact CD2-CG2 4.05Å; F133-I172 HydrophobicContact CE2-CG2 3.98Å; A168-I172 VanDerWaalsContact O-CG1 3.29Å; A168-I172 WeakPolarHBondContact O-CG1 3.47Å; A168-I172 PolarHBondContact O-N 2.93Å; A169-I172 PolarHBondContact O-N 3.35Å; V170-I172 VanDerWaalsContact C-N 3.32Å; V170-I172 PolarHBondContact O-N 3.05Å; I172-H174 VanDerWaalsContact C-N 3.33Å; I172-H174 PolarHBondContact O-N 3.14Å; I172-K175 WeakPolarHBondContact O-CB 3.36Å; I172-K175 PolarHBondContact O-N 3.41Å; I172-H176 PolarHBondContact O-CD2 2.91Å; I172-H176 VanDerWaalsContact O-CD2 3.24Å; I172-H176 PolarHBondContact O-N 2.98Å
173	A	93.2	Very high	87	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.8	-45.6	178.3	0	0	0	0	0	112	F133 F158 A169 V170 K175 H176 G177 F178 V182	F133-A173 HydrophobicContact CE2-CB 4.09Å; F133-A173 HydrophobicContact CZ-CB 4.23Å; F158-A173 HydrophobicContact CE2-CB 3.76Å; F158-A173 HydrophobicContact CZ-CB 4.16Å; A169-A173 WeakPolarHBondContact O-CB 3.31Å; A169-A173 PolarHBondContact O-N 3.35Å; V170-A173 PolarHBondContact O-N 2.89Å; A173-K175 VanDerWaalsContact C-N 3.31Å; A173-K175 PolarHBondContact O-N 3.28Å; A173-H176 CarbonylContact O-C 3.44Å; A173-H176 PolarHBondContact O-N 3.21Å; A173-G177 PolarHBondContact O-N 2.89Å; A173-F178 HydrophobicContact CB-CB 4.06Å; A173-F178 HydrophobicContact CB-CD2 3.84Å; A173-F178 HydrophobicContact CB-CG 3.99Å; A173-F178 WeakPolarHBondContact O-CB 3.29Å; A173-F178 VanDerWaalsContact O-CD2 3.29Å; A173-F178 WeakPolarHBondContact O-CD2 3.25Å; A173-F178 PolarHBondContact O-N 3.36Å; A173-F178 VanDerWaalsContact O-N 3.1Å; A173-V182 HydrophobicContact CB-CG1 4.13Å; A173-V182 HydrophobicContact CB-CG2 4.47Å
174	H	91.6	Very high	86.7	Confident	103 Å²	103	49.2 Å²	49.2	48%	0.477	25%	0.253	S	S	.	.	H	α-helix	trans	-59.7	-39.3	175.5	-69.9	170.1	0	0	0	112.6	V170 I172 H176 G177 F178	V170-H174 PolarHBondContact O-N 3.21Å; I172-H174 VanDerWaalsContact C-N 3.33Å; I172-H174 PolarHBondContact O-N 3.14Å; H174-H176 VanDerWaalsContact C-N 3.26Å; H174-H176 PolarHBondContact O-N 3.07Å; H174-G177 PolarHBondContact O-N 3.46Å; H174-G177 VanDerWaalsContact O-N 3.17Å; H174-F178 PolarHBondContact CD2-O 2.98Å
175	K	92.7	Very high	86.2	Confident	160 Å²	160	44.2 Å²	44.2	70%	0.696	23%	0.227	S	C	*	.	H	α-helix	trans	-64.5	-30.7	175	-71.6	168.7	-174.5	168.8	0	112.8	E171 I172 A173 G177	E171-K175 VanDerWaalsContact O-CG 3.3Å; E171-K175 WeakPolarHBondContact O-CG 3.49Å; E171-K175 PolarHBondContact O-N 2.88Å; E171-K175 VanDerWaalsContact O-N 3.14Å; I172-K175 WeakPolarHBondContact O-CB 3.36Å; I172-K175 PolarHBondContact O-N 3.41Å; A173-K175 VanDerWaalsContact C-N 3.31Å; A173-K175 PolarHBondContact O-N 3.28Å; K175-G177 VanDerWaalsContact C-N 3.3Å
176	H	92.6	Very high	85.3	Confident	47 Å²	47	47.4 Å²	47.4	22%	0.218	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	12.9	176.3	-73.2	-87.8	0	0	0	113.6	F133 E134 M151 I172 A173 H174	F133-H176 HydrophobicContact CB-CB 3.94Å; F133-H176 HydrophobicContact CD2-CB 3.96Å; F133-H176 AromaticContact CD2-CD2 3.8Å; F133-H176 AromaticContact CD2-CG 3.89Å; F133-H176 HydrophobicContact CG-CB 4.22Å; E134-H176 IonicContact OE1-CE1 3.43Å; E134-H176 PolarHBondContact OE1-CE1 3.24Å; M151-H176 WeakPolarHBondContact CE-O 3.34Å; I172-H176 PolarHBondContact O-CD2 2.91Å; I172-H176 VanDerWaalsContact O-CD2 3.24Å; I172-H176 PolarHBondContact O-N 2.98Å; A173-H176 CarbonylContact O-C 3.44Å; A173-H176 PolarHBondContact O-N 3.21Å; H174-H176 VanDerWaalsContact C-N 3.26Å; H174-H176 PolarHBondContact O-N 3.07Å
177	G	90.3	Very high	84.2	Confident	29 Å²	29	55.9 Å²	55.9	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	10.7	169.5	0	0	0	0	0	115.5	M151 A173 H174 K175 T179	M151-G177 WeakPolarHBondContact CB-O 3.31Å; A173-G177 PolarHBondContact O-N 2.89Å; H174-G177 PolarHBondContact O-N 3.46Å; H174-G177 VanDerWaalsContact O-N 3.17Å; K175-G177 VanDerWaalsContact C-N 3.3Å; G177-T179 WeakPolarHBondContact O-CG2 3.44Å; G177-T179 PolarHBondContact O-N 3.28Å; G177-T179 VanDerWaalsContact O-N 3.12Å
178	F	88	Confident	83.4	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	28%	0.278	C	S	.	.			trans	-64.2	114	167.8	-74.4	-98.4	0	0	0	109.2	F133 P149 H150 A173 H174 V182	F133-F178 AromaticContact CD1-CE2 3.68Å; F133-F178 HydrophobicContact CD1-CE2 3.68Å; F133-F178 HydrophobicContact CD1-CZ 4Å; F133-F178 HydrophobicContact CD2-CE2 4.4Å; F133-F178 AromaticContact CE1-CE2 3.64Å; F133-F178 HydrophobicContact CE1-CE2 3.64Å; F133-F178 AromaticContact CE1-CZ 3.76Å; F133-F178 HydrophobicContact CE1-CZ 3.76Å; F133-F178 HydrophobicContact CE2-CE2 4.36Å; F133-F178 HydrophobicContact CG-CE2 4.09Å; F133-F178 HydrophobicContact CZ-CE2 4Å; F133-F178 HydrophobicContact CZ-CZ 4.38Å; P149-F178 HydrophobicContact CB-CE1 3.93Å; P149-F178 HydrophobicContact CB-CZ 4.01Å; P149-F178 HydrophobicContact CG-CE1 4.38Å; P149-F178 HydrophobicContact CG-CZ 3.99Å; P149-F178 WeakPolarHBondContact O-CZ 3.39Å; H150-F178 VanDerWaalsContact O-CE1 3.29Å; H150-F178 WeakPolarHBondContact O-CE1 3.45Å; A173-F178 HydrophobicContact CB-CB 4.06Å; A173-F178 HydrophobicContact CB-CD2 3.84Å; A173-F178 HydrophobicContact CB-CG 3.99Å; A173-F178 WeakPolarHBondContact O-CB 3.29Å; A173-F178 VanDerWaalsContact O-CD2 3.29Å; A173-F178 WeakPolarHBondContact O-CD2 3.25Å; A173-F178 PolarHBondContact O-N 3.36Å; A173-F178 VanDerWaalsContact O-N 3.1Å; H174-F178 PolarHBondContact CD2-O 2.98Å; F178-V182 HydrophobicContact CB-CG2 3.75Å; F178-V182 HydrophobicContact CD1-CG2 3.98Å; F178-V182 HydrophobicContact CG-CG2 4.16Å
179	T	74.9	Confident	82.4	Confident	100 Å²	100	59.1 Å²	59.1	61%	0.613	29%	0.29	S	S	*	.			trans	-104.7	-18.4	-171.5	48	0	0	0	0	113.2	M151 Y152 G177	M151-T179 PolarHBondContact O-N 3.06Å; M151-T179 PolarHBondContact O-OG1 2.96Å; Y152-T179 WeakPolarHBondContact CD1-OG1 3.25Å; G177-T179 WeakPolarHBondContact O-CG2 3.44Å; G177-T179 PolarHBondContact O-N 3.28Å; G177-T179 VanDerWaalsContact O-N 3.12Å
180	K	69.1	Low	81.2	Confident	110 Å²	110	64.3 Å²	64.3	48%	0.478	32%	0.322	S	S	.	.	S	Bend	trans	-101.7	175.6	179.8	-66.6	-163	-167.4	160.8	0	111.5	Y152 V182	Y152-K180 WeakPolarHBondContact O-CD 3.36Å; Y152-K180 WeakPolarHBondContact O-CE 3.46Å; Y152-K180 PolarHBondContact O-NZ 3.37Å; K180-V182 VanDerWaalsContact C-N 3.31Å; K180-V182 PolarHBondContact O-N 2.7Å
181	Q	66.2	Low	80.2	Confident	130 Å²	130	67.6 Å²	67.6	61%	0.607	35%	0.35	S	S	*	.			trans	-48.4	90.7	-175.4	-66.3	-177	-3.5	0	0	112.1
182	V	74.4	Confident	79.5	Confident	8 Å²	8	67.8 Å²	67.8	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.7	163.5	174	0	0	0	0	105.4	V156 F158 V170 A173 F178 K180	V156-V182 HydrophobicContact CB-CG2 4.5Å; V156-V182 WeakPolarHBondContact O-CA 3.43Å; F158-V182 HydrophobicContact CD2-CG1 3.39Å; F158-V182 HydrophobicContact CE2-CG1 3.23Å; F158-V182 HydrophobicContact CZ-CG1 4.49Å; V170-V182 HydrophobicContact CB-CG1 4.21Å; V170-V182 HydrophobicContact CG1-CG1 4.05Å; V170-V182 HydrophobicContact CG2-CG1 3.95Å; A173-V182 HydrophobicContact CB-CG1 4.13Å; A173-V182 HydrophobicContact CB-CG2 4.47Å; F178-V182 HydrophobicContact CB-CG2 3.75Å; F178-V182 HydrophobicContact CD1-CG2 3.98Å; F178-V182 HydrophobicContact CG-CG2 4.16Å; K180-V182 VanDerWaalsContact C-N 3.31Å; K180-V182 PolarHBondContact O-N 2.7Å
183	S	80	Confident	79	Confident	10 Å²	10	67.6 Å²	67.6	7%	0.07	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132	-171.7	-70.4	0	0	0	0	111	H85 V156 F158	H85-S183 WeakPolarHBondContact O-CB 3.41Å; H85-S183 PolarHBondContact O-OG 2.98Å; V156-S183 PolarHBondContact O-N 3.43Å; F158-S183 PolarHBondContact N-O 3.32Å; F158-S183 VanDerWaalsContact N-O 3.1Å
184	P	80.4	Confident	78.6	Confident	10 Å²	10	71.3 Å²	71.3	7%	0.065	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	144.2	165.4	29.4	-28.7	0	0	0	109.1	A86 V87 V170	A86-P184 CarbonylContact C-O 3.56Å; A86-P184 VanDerWaalsContact CA-O 3.26Å; A86-P184 WeakPolarHBondContact CA-O 3.3Å; A86-P184 HydrophobicContact CB-CG 3.86Å; V87-P184 PolarHBondContact N-O 3.38Å; V170-P184 HydrophobicContact CG2-CB 3.91Å; V170-P184 HydrophobicContact CG2-CG 4.1Å
185	V	78	Confident	78.2	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.042	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-80.3	129.3	173.1	-176.4	0	0	0	0	110.4	L92 L103 V157 F158 H159 Q187 V188	L92-V185 HydrophobicContact CD2-CB 4.43Å; L92-V185 HydrophobicContact CD2-CG1 3.67Å; L92-V185 HydrophobicContact CD2-CG2 3.81Å; L103-V185 HydrophobicContact CD1-CG2 4.32Å; V157-V185 HydrophobicContact CG1-CB 4.49Å; V157-V185 HydrophobicContact CG1-CG2 3.08Å; F158-V185 PolarHBondContact O-N 2.92Å; F158-V185 VanDerWaalsContact O-N 3.13Å; H159-V185 HydrophobicContact CB-CG2 4.31Å; V185-Q187 PolarHBondContact O-N 3.13Å; V185-V188 HydrophobicContact CB-CG2 4.37Å; V185-V188 HydrophobicContact CG1-CG2 3.43Å; V185-V188 VanDerWaalsContact CG1-CG2 3.43Å
186	K	71.2	Confident	77.8	Confident	103 Å²	103	70.7 Å²	70.7	45%	0.448	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-70.1	116.5	163	-64.9	-179.2	-176.9	161.5	0	107.6	A83 A86 V87	A83-K186 WeakPolarHBondContact O-CE 3.46Å; A83-K186 PolarHBondContact O-NZ 3.47Å; A86-K186 HydrophobicContact CB-CD 4.25Å; A86-K186 HydrophobicContact CB-CG 3.82Å; A86-K186 VanDerWaalsContact O-CE 3.25Å; A86-K186 WeakPolarHBondContact O-CE 3Å; A86-K186 PolarHBondContact O-NZ 2.86Å; V87-K186 PolarHBondContact O-N 2.96Å
187	Q	68.9	Low	77.1	Confident	178 Å²	178	71.9 Å²	71.9	83%	0.832	39%	0.39	S	S	*	.			trans	7.8	109.1	177.5	-171.7	174.4	-12.1	0	0	116	V185	V185-Q187 PolarHBondContact O-N 3.13Å
188	V	74.9	Confident	76.4	Confident	11 Å²	11	74.1 Å²	74.1	7%	0.067	40%	0.395	C	S	.	.			trans	-76.8	135.6	172.9	-175.1	0	0	0	0	109.5	Y89 L92 I118 H159 V185	Y89-V188 HydrophobicContact CD2-CG1 4.25Å; Y89-V188 HydrophobicContact CE2-CG1 4.17Å; L92-V188 HydrophobicContact CD2-CG2 3.89Å; I118-V188 HydrophobicContact CD1-CB 4.43Å; I118-V188 HydrophobicContact CD1-CG1 4.1Å; I118-V188 HydrophobicContact CD1-CG2 4.19Å; H159-V188 WeakPolarHBondContact ND1-CG2 3.29Å; V185-V188 HydrophobicContact CB-CG2 4.37Å; V185-V188 HydrophobicContact CG1-CG2 3.43Å; V185-V188 VanDerWaalsContact CG1-CG2 3.43Å
189	E	71.7	Confident	75.7	Confident	108 Å²	108	77.6 Å²	77.6	51%	0.505	41%	0.414	S	S	.	.			trans	-65.3	138.6	174	-65.5	-172.6	146	0	0	111.6	Y89 A191 Y192	Y89-E189 HydrophobicContact CE1-CG 4.14Å; Y89-E189 WeakPolarHBondContact CE1-OE2 3.49Å; Y89-E189 HydrophobicContact CE2-CB 4.19Å; Y89-E189 HydrophobicContact CE2-CG 4.32Å; Y89-E189 PolarHBondContact OH-OE2 2.68Å; E189-A191 PolarHBondContact O-N 2.95Å; E189-Y192 PolarHBondContact O-N 3.07Å; E189-Y192 VanDerWaalsContact O-N 3.14Å
190	V	69.3	Low	75.8	Confident	109 Å²	109	76.2 Å²	76.2	66%	0.661	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-59.9	-23.7	-177.7	-177.8	0	0	0	0	112.6	Y192 F193	V190-Y192 PolarHBondContact O-N 3.31Å; V190-Y192 VanDerWaalsContact O-N 3.08Å; V190-F193 VanDerWaalsContact CA-CD2 3.48Å; V190-F193 HydrophobicContact CB-CD2 4.18Å; V190-F193 HydrophobicContact CB-CE2 4.4Å; V190-F193 HydrophobicContact CG1-CD2 3.99Å; V190-F193 HydrophobicContact CG2-CE2 4.35Å; V190-F193 WeakPolarHBondContact O-CD2 3.28Å; V190-F193 PolarHBondContact O-N 2.96Å; V190-F193 VanDerWaalsContact O-N 3.11Å
191	A	70.7	Confident	76.2	Confident	83 Å²	83	74.1 Å²	74.1	69%	0.686	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-59.8	-18.8	178.6	0	0	0	0	0	114.4	E189	E189-A191 PolarHBondContact O-N 2.95Å
192	Y	76.5	Confident	76.8	Confident	75 Å²	75	70.4 Å²	70.4	29%	0.294	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-88.2	-12.5	178.5	-91.1	-108.4	0	0	0	114.4	Y89 K93 E189 V190	Y89-Y192 AromaticContact CE2-CD2 3.88Å; Y89-Y192 HydrophobicContact CE2-CD2 3.88Å; Y89-Y192 HydrophobicContact CE2-CE2 4.08Å; Y89-Y192 HydrophobicContact CE2-CG 4.32Å; Y89-Y192 AromaticContact CZ-CD2 3.81Å; Y89-Y192 AromaticContact CZ-CE2 3.66Å; Y89-Y192 WeakPolarHBondContact OH-CD2 3.36Å; Y89-Y192 WeakPolarHBondContact OH-CE2 3.48Å; K93-Y192 WeakPolarHBondContact CD-OH 3.4Å; K93-Y192 WeakPolarHBondContact CE-OH 3.37Å; K93-Y192 HydrophobicContact CG-CE1 4.46Å; K93-Y192 PolarHBondContact NZ-OH 2.82Å; E189-Y192 PolarHBondContact O-N 3.07Å; E189-Y192 VanDerWaalsContact O-N 3.14Å; V190-Y192 PolarHBondContact O-N 3.31Å; V190-Y192 VanDerWaalsContact O-N 3.08Å
193	F	84.9	Confident	77	Confident	26 Å²	26	74.9 Å²	74.9	11%	0.114	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.3	177.8	-59.3	-66.4	0	0	0	110.4	Q115 G116 I118 H159 V190	Q115-F193 VanDerWaalsContact O-CB 3.31Å; Q115-F193 WeakPolarHBondContact O-CB 3.47Å; G116-F193 WeakPolarHBondContact O-CD1 3.18Å; I118-F193 HydrophobicContact CD1-CD1 4.37Å; I118-F193 HydrophobicContact CD1-CE1 3.69Å; I118-F193 HydrophobicContact CD1-CZ 4.39Å; I118-F193 HydrophobicContact CG1-CD1 3.48Å; I118-F193 VanDerWaalsContact CG1-CD1 3.48Å; I118-F193 HydrophobicContact CG1-CE1 3.3Å; I118-F193 HydrophobicContact CG1-CZ 4.34Å; H159-F193 AromaticContact CE1-CZ 3.84Å; H159-F193 AromaticContact NE2-CE1 3.56Å; H159-F193 AromaticContact NE2-CZ 3.57Å; V190-F193 VanDerWaalsContact CA-CD2 3.48Å; V190-F193 HydrophobicContact CB-CD2 4.18Å; V190-F193 HydrophobicContact CB-CE2 4.4Å; V190-F193 HydrophobicContact CG1-CD2 3.99Å; V190-F193 HydrophobicContact CG2-CE2 4.35Å; V190-F193 WeakPolarHBondContact O-CD2 3.28Å; V190-F193 PolarHBondContact O-N 2.96Å; V190-F193 VanDerWaalsContact O-N 3.11Å
194	Q	84.3	Confident	76.8	Confident	79 Å²	79	79.8 Å²	79.8	37%	0.369	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.3	170.3	-62.5	-61	-61	0	0	109.2	G116 R117 I119 V196	G116-Q194 CarbonylContact C-O 3.33Å; G116-Q194 WeakPolarHBondContact CA-O 3.42Å; R117-Q194 PolarHBondContact N-O 2.68Å; R117-Q194 PolarHBondContact O-N 2.83Å; I119-Q194 HydrophobicContact CD1-CG 3.62Å; I119-Q194 HydrophobicContact CG1-CG 3.5Å; Q194-V196 PolarHBondContact O-N 3.44Å
195	P	83.5	Confident	76.5	Confident	112 Å²	112	85.7 Å²	85.7	73%	0.727	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-56.1	141.3	171.9	26.2	-33.6	0	0	0	110.1
196	V	83.8	Confident	76.3	Confident	137 Å²	137	92.8 Å²	92.8	83%	0.83	50%	0.503	S	S	*	.			trans	-71.8	0	178.9	-177.1	0	0	0	0	110.9	I112 R117 Q194	I112-V196 HydrophobicContact CG2-CG2 3.78Å; I112-V196 VanDerWaalsContact O-CG2 3.25Å; I112-V196 WeakPolarHBondContact O-CG2 3.25Å; R117-V196 HydrophobicContact CB-CG2 4.32Å; Q194-V196 PolarHBondContact O-N 3.44Å

Retrieved 196 of 196 residues in 104.7 ms (Link to these results)

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