A0A061INS2_CRIGR Loading...

Ribonuclease pancreatic

Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.

AlphaFold DB , UniProt , Accession A0A061INS2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 213 aa.

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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	44.3	Very low	39.8	Very low	237 Å²	237	154.6 Å²	154.6	100%	1.167	86%	0.859	S	S	*	*				0	96.2	0	-77.8	164	175.3	0	0	108.7
2	H	37.7	Very low	40	Very low	202 Å²	202	161.1 Å²	161.1	94%	0.935	86%	0.861	S	S	*	*			trans	-130.4	108.7	158.8	-77.3	-28.7	0	0	0	106.2
3	A	38.8	Very low	39.6	Very low	98 Å²	98	158.5 Å²	158.5	81%	0.81	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-83.5	122.6	178.8	0	0	0	0	0	108
4	C	38	Very low	39.9	Very low	132 Å²	132	156 Å²	156	89%	0.892	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-77.4	121.7	166.1	-69.1	0	0	0	0	108.4
5	T	41.1	Very low	39.6	Very low	125 Å²	125	151.7 Å²	151.7	77%	0.767	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-76.5	140.2	173	38.3	0	0	0	0	110.4
6	P	37.8	Very low	39.7	Very low	127 Å²	127	151.7 Å²	151.7	83%	0.825	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-76.3	130.8	-179	27.9	-30.6	0	0	0	111.5
7	H	37.6	Very low	39.5	Very low	182 Å²	182	151.5 Å²	151.5	84%	0.843	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-78.4	144.6	166.3	-102.3	-82.4	0	0	0	110.7
8	P	40.8	Very low	39.5	Very low	108 Å²	108	151.9 Å²	151.9	70%	0.701	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-75.1	146.3	-179.1	30	-34	0	0	0	112.3
9	P	40.9	Very low	39.4	Very low	113 Å²	113	151.4 Å²	151.4	73%	0.734	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-72.8	145.9	175.7	29	-33.5	0	0	0	112
10	P	42.6	Very low	39.4	Very low	131 Å²	131	154.1 Å²	154.1	85%	0.851	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.9	149.4	170.9	26.2	-30.7	0	0	0	112.4
11	R	37.8	Very low	39.6	Very low	246 Å²	246	154.5 Å²	154.5	93%	0.928	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.8	128.2	-165.9	-60.5	175.7	-142.4	-142.1	1.4	113.4
12	R	43	Very low	39.2	Very low	232 Å²	232	151 Å²	151	88%	0.875	80%	0.796	S	S	*	*			trans	0.6	131.6	156.6	-47.8	-178.2	-178	178.7	0.6	118.7
13	T	34.8	Very low	39.4	Very low	128 Å²	128	145.8 Å²	145.8	79%	0.785	78%	0.783	S	S	*	*				164.3	174.5	77	42.7	0	0	0	0	108
14	P	42.9	Very low	39.5	Very low	123 Å²	123	150.1 Å²	150.1	80%	0.799	79%	0.786	S	S	*	*	S	Bend	cis	-125.8	173.2	-24.8	31.1	-11.6	0	0	0	113.2
15	A	36.2	Very low	40.1	Very low	92 Å²	92	148 Å²	148	76%	0.76	79%	0.787	S	S	*	*			trans	89.9	57.1	169.8	0	0	0	0	0	117.3	L17	A15-L17 PolarHBondContact O-N 3.35Å
16	E	40.8	Very low	39.9	Very low	151 Å²	151	149.7 Å²	149.7	71%	0.706	79%	0.786	S	S	*	*			trans	-72.5	112.3	146.6	-68.1	-163.2	146.7	0	0	108.5	W18	E16-W18 PolarHBondContact O-N 3.48Å; E16-W18 WeakPolarHBondContact OE2-CZ2 3.35Å; E16-W18 PolarHBondContact OE2-NE1 3.44Å
17	L	36.6	Very low	39.7	Very low	148 Å²	148	148.4 Å²	148.4	78%	0.775	78%	0.776	S	S	*	*			trans	-84.5	91.4	170	-145.5	88.7	0	0	0	107.7	A15 L19	A15-L17 PolarHBondContact O-N 3.35Å; L17-L19 HydrophobicContact CD2-CD1 4.42Å; L17-L19 HydrophobicContact CD2-CG 4.47Å; L17-L19 PolarHBondContact O-N 3.42Å; L17-L19 VanDerWaalsContact O-N 3.08Å
18	W	39.3	Very low	40.1	Very low	159 Å²	159	145.1 Å²	145.1	60%	0.602	77%	0.769	S	S	*	*			trans	-72.6	97.3	170.5	-70.8	94.5	0	0	0	108.9	E16 R20 Y29	E16-W18 PolarHBondContact O-N 3.48Å; E16-W18 WeakPolarHBondContact OE2-CZ2 3.35Å; E16-W18 PolarHBondContact OE2-NE1 3.44Å; W18-R20 PolarHBondContact O-N 2.49Å; W18-Y29 HydrophobicContact CE3-CD1 4.12Å; W18-Y29 HydrophobicContact CH2-CD1 4Å; W18-Y29 AromaticContact CZ3-CD1 3.53Å; W18-Y29 HydrophobicContact CZ3-CD1 3.53Å; W18-Y29 HydrophobicContact CZ3-CE1 4.33Å; W18-Y29 HydrophobicContact CZ3-CG 4.45Å
19	L	38.6	Very low	39.9	Very low	143 Å²	143	148 Å²	148	75%	0.749	77%	0.767	S	S	*	*			trans	-78	105.9	167.6	-88.5	157.6	0	0	0	108.7	L17 L21	L17-L19 HydrophobicContact CD2-CD1 4.42Å; L17-L19 HydrophobicContact CD2-CG 4.47Å; L17-L19 PolarHBondContact O-N 3.42Å; L17-L19 VanDerWaalsContact O-N 3.08Å; L19-L21 PolarHBondContact O-N 3.37Å
20	R	38.4	Very low	40.2	Very low	205 Å²	205	147.6 Å²	147.6	77%	0.774	76%	0.762	S	S	*	*			trans	-76	97.2	174.4	-162.3	-178.9	-163.2	178.8	4	108.7	W18 Q22	W18-R20 PolarHBondContact O-N 2.49Å; R20-Q22 HydrophobicContact CG-CG 4.43Å
21	L	43.4	Very low	40	Very low	162 Å²	162	146.7 Å²	146.7	85%	0.848	76%	0.758	S	S	*	*			trans	-88.4	105.4	165	-80	161	0	0	0	107.9	L19 S23	L19-L21 PolarHBondContact O-N 3.37Å; L21-S23 PolarHBondContact O-N 2.93Å
22	Q	37.1	Very low	40.4	Very low	164 Å²	164	141.3 Å²	141.3	77%	0.766	75%	0.745	S	S	*	*			trans	-81	101	169.2	-78.5	-178.8	-31.7	0	0	108.6	R20	R20-Q22 HydrophobicContact CG-CG 4.43Å
23	S	40.6	Very low	40.4	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	74%	0.741	S	S	*	*			trans	-112.3	110.7	160.5	178.8	0	0	0	0	107.6	L21 G25	L21-S23 PolarHBondContact O-N 2.93Å; S23-G25 PolarHBondContact O-N 3.46Å
24	Q	42.3	Very low	41	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.883	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	40.7	68.4	166.9	-57.3	-157.3	3.5	0	0	117.1	E26	Q24-E26 VanDerWaalsContact C-N 3.33Å; Q24-E26 PolarHBondContact O-N 3.32Å; Q24-E26 VanDerWaalsContact O-N 3.1Å
25	G	49.3	Very low	41.1	Very low	88 Å²	88	137.4 Å²	137.4	91%	0.907	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.6	-2.4	154.9	0	0	0	0	0	118.5	S23	S23-G25 PolarHBondContact O-N 3.46Å
26	E	36.6	Very low	42	Very low	159 Å²	159	136.8 Å²	136.8	74%	0.743	74%	0.738	S	S	*	*			trans	-116	137.5	172.6	-76.6	-177.5	155.8	0	0	111.8	Q24	Q24-E26 VanDerWaalsContact C-N 3.33Å; Q24-E26 PolarHBondContact O-N 3.32Å; Q24-E26 VanDerWaalsContact O-N 3.1Å
27	T	35.3	Very low	42.2	Very low	100 Å²	100	139 Å²	139	61%	0.613	75%	0.745	S	S	*	*			trans	-96.2	99.5	177.5	-39.7	0	0	0	0	108.5	Y29	T27-Y29 HydrophobicContact CG2-CE1 4.31Å; T27-Y29 HydrophobicContact CG2-CE2 3.76Å
28	V	44.3	Very low	42.4	Very low	114 Å²	114	136.8 Å²	136.8	69%	0.691	74%	0.737	S	S	*	*			trans	-95.1	124.3	175.8	-175.3	0	0	0	0	109.3
29	Y	37.1	Very low	42.5	Very low	169 Å²	169	132.9 Å²	132.9	66%	0.663	73%	0.733	S	S	*	*			trans	-101.1	117.3	173.4	-60.8	-87	0	0	0	109	W18 T27	W18-Y29 HydrophobicContact CE3-CD1 4.12Å; W18-Y29 HydrophobicContact CH2-CD1 4Å; W18-Y29 AromaticContact CZ3-CD1 3.53Å; W18-Y29 HydrophobicContact CZ3-CD1 3.53Å; W18-Y29 HydrophobicContact CZ3-CE1 4.33Å; W18-Y29 HydrophobicContact CZ3-CG 4.45Å; T27-Y29 HydrophobicContact CG2-CE1 4.31Å; T27-Y29 HydrophobicContact CG2-CE2 3.76Å
30	T	47.2	Very low	42.8	Very low	103 Å²	103	132.1 Å²	132.1	63%	0.632	73%	0.734	S	S	*	*			trans	-105.1	125.3	175	-39.9	0	0	0	0	109
31	C	39.6	Very low	43	Very low	113 Å²	113	133.6 Å²	133.6	76%	0.764	74%	0.74	S	S	*	*			trans	-88.7	118.6	174.9	-159.9	0	0	0	0	109.3
32	M	45.9	Very low	42.8	Very low	133 Å²	133	135.1 Å²	135.1	66%	0.655	74%	0.743	S	S	*	*			trans	-108.5	121.6	174.6	-69.6	178.2	95.8	0	0	109.5	C39	M32-C39 HydrophobicContact CE-CB 3.68Å; M32-C39 WeakPolarHBondContact CE-SG 3.34Å
33	H	42.5	Very low	42.6	Very low	170 Å²	170	133.5 Å²	133.5	79%	0.787	75%	0.748	S	S	*	*			trans	-89.5	128.8	169.4	-85.6	-83.8	0	0	0	110.4
34	V	48.2	Very low	42.2	Very low	122 Å²	122	137.9 Å²	137.9	74%	0.739	76%	0.761	S	S	*	*			trans	-86.5	117.4	177.5	-178.9	0	0	0	0	109.4
35	C	44.8	Very low	41.7	Very low	108 Å²	108	139.5 Å²	139.5	73%	0.73	76%	0.76	S	S	*	*	B	Isolated β-bridge	trans	-118	118.4	166.3	-152.1	0	0	0	0	108.6	K37 V38	C35-K37 VanDerWaalsContact C-N 3.25Å; C35-K37 PolarHBondContact O-N 3.03Å; C35-V38 PolarHBondContact O-N 3.46Å
36	G	54.9	Low	41.1	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	58	19.8	165.6	0	0	0	0	0	118.6
37	K	45.3	Very low	41	Very low	198 Å²	198	142.6 Å²	142.6	86%	0.861	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.7	23.2	-176.5	-54.3	179.1	177.9	176.7	0	117.2	C35	C35-K37 VanDerWaalsContact C-N 3.25Å; C35-K37 PolarHBondContact O-N 3.03Å
38	V	38.8	Very low	41	Very low	101 Å²	101	149.5 Å²	149.5	61%	0.612	78%	0.776	S	S	*	*	B	Isolated β-bridge	trans	-137.2	139.5	168.2	-178.3	0	0	0	0	109.9	C35 V40	C35-V38 PolarHBondContact O-N 3.46Å; V38-V40 HydrophobicContact CG1-CG2 4.26Å
39	C	43	Very low	41	Very low	77 Å²	77	150 Å²	150	52%	0.52	78%	0.781	S	S	.	*			trans	-89.8	121.9	172.6	-68.7	0	0	0	0	109.6	M32	M32-C39 HydrophobicContact CE-CB 3.68Å; M32-C39 WeakPolarHBondContact CE-SG 3.34Å
40	V	43.7	Very low	41	Very low	127 Å²	127	145.7 Å²	145.7	77%	0.77	79%	0.789	S	S	*	*			trans	-119.5	124.5	177.8	-172	0	0	0	0	108.2	V38	V38-V40 HydrophobicContact CG1-CG2 4.26Å
41	R	42.6	Very low	40.4	Very low	237 Å²	237	145.3 Å²	145.3	89%	0.894	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.4	128.3	168.5	-91.2	-178.9	168.4	-173.8	-3.8	108.2
42	E	40.1	Very low	40.1	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.7	143	174.7	-91.4	179.3	151.3	0	0	112.6
43	C	31.5	Very low	39.7	Very low	129 Å²	129	150.9 Å²	150.9	87%	0.872	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-73.5	130.8	170.6	-54.6	0	0	0	0	110
44	M	34.1	Very low	39.6	Very low	186 Å²	186	148 Å²	148	92%	0.916	81%	0.81	S	S	*	*			trans	-105	121.3	172	-160.6	142.9	70.7	0	0	109.8
45	Y	31.9	Very low	39	Very low	223 Å²	223	150.5 Å²	150.5	88%	0.875	82%	0.818	S	S	*	*			trans	-94	132.6	171.5	-127.8	-83.1	0	0	0	109
46	P	36.3	Very low	38.8	Very low	115 Å²	115	153.9 Å²	153.9	75%	0.747	82%	0.824	S	S	*	*			trans	-108.3	139.5	162.2	9.9	10.1	0	0	0	112.1
47	Q	34.4	Very low	38	Very low	196 Å²	196	157.8 Å²	157.8	92%	0.916	83%	0.825	S	S	*	*			trans	-76.7	141	172.3	-72.4	167.8	-39.2	0	0	111.4
48	R	34.5	Very low	37.8	Very low	245 Å²	245	156.6 Å²	156.6	93%	0.925	82%	0.822	S	S	*	*			trans	-80.7	173.2	164.2	-107.2	-160.6	-105.7	-174.4	-6.3	110.2
49	P	44.6	Very low	38.1	Very low	125 Å²	125	158.9 Å²	158.9	81%	0.812	83%	0.83	S	S	*	*			cis	-140	171.3	14.3	37.4	-17	0	0	0	116.6
50	G	36	Very low	38.3	Very low	79 Å²	79	164 Å²	164	81%	0.814	85%	0.846	S	S	*	*			trans	161.2	121.6	161.3	0	0	0	0	0	113
51	A	36.3	Very low	38.6	Very low	95 Å²	95	163.2 Å²	163.2	79%	0.785	84%	0.842	S	S	*	*			trans	-78.2	152.1	-163.7	0	0	0	0	0	115.8
52	L	32.7	Very low	39	Very low	181 Å²	181	156.2 Å²	156.2	95%	0.948	82%	0.822	S	S	*	*			trans	-173.2	143.9	132.8	-98.5	146.4	0	0	0	110.2
53	E	37.5	Very low	39.9	Very low	182 Å²	182	154.8 Å²	154.8	85%	0.85	82%	0.816	S	S	*	*			trans	-66.7	168	-175	-90.9	-146.7	132.4	0	0	115.2
54	P	41.2	Very low	41.2	Very low	108 Å²	108	151.7 Å²	151.7	70%	0.701	80%	0.795	S	S	*	*			trans	-87.1	145.6	-159.6	33.4	-30.9	0	0	0	113.7
55	L	35.4	Very low	42.3	Very low	175 Å²	175	148.5 Å²	148.5	92%	0.916	78%	0.781	S	S	*	*			trans	-104.7	119.9	149.8	-105.3	99.8	0	0	0	107.6
56	E	40.4	Very low	43.6	Very low	180 Å²	180	143 Å²	143	84%	0.841	77%	0.766	S	S	*	*			trans	-58	131.4	170.1	-77.9	154.5	126.7	0	0	110.8
57	L	37.6	Very low	44.6	Very low	161 Å²	161	143.6 Å²	143.6	84%	0.843	76%	0.759	S	S	*	*			trans	-129.3	103.6	156.9	-149.5	77.9	0	0	0	106.4	L59	L57-L59 PolarHBondContact O-N 3.42Å
58	E	41.9	Very low	45.7	Very low	172 Å²	172	141 Å²	141	80%	0.804	75%	0.747	S	S	*	*			trans	-57.1	120.7	174.6	-71.4	179.9	112.1	0	0	109.6
59	L	43.7	Very low	46.7	Very low	150 Å²	150	136.2 Å²	136.2	79%	0.785	74%	0.737	S	S	*	*			trans	-101.5	100.6	160.2	-131.5	92.4	0	0	0	106.7	L57 V61	L57-L59 PolarHBondContact O-N 3.42Å; L59-V61 PolarHBondContact O-N 3.01Å; L59-V61 VanDerWaalsContact O-N 3.1Å
60	Q	47.8	Very low	47.5	Very low	183 Å²	183	134.7 Å²	134.7	86%	0.855	73%	0.725	S	S	*	*			trans	-65.4	107.2	169.3	-77.7	160.4	-57.8	0	0	108.3
61	V	50.6	Low	48.8	Very low	111 Å²	111	137.7 Å²	137.7	67%	0.673	72%	0.72	S	S	*	*			trans	-86.8	111	166.1	-178.5	0	0	0	0	106.4	L59 E63	L59-V61 PolarHBondContact O-N 3.01Å; L59-V61 VanDerWaalsContact O-N 3.1Å; V61-E63 PolarHBondContact O-N 3.35Å
62	D	50.9	Low	50.1	Low	91 Å²	91	136.7 Å²	136.7	49%	0.487	71%	0.707	S	S	.	*			trans	-66.9	120.1	-177.5	-163.1	-63.4	0	0	0	110.9	S64 L65	D62-S64 PolarHBondContact O-N 3.02Å; D62-S64 VanDerWaalsContact O-N 3.1Å; D62-S64 WeakPolarHBondContact OD1-CB 3.3Å; D62-S64 PolarHBondContact OD1-N 3.01Å; D62-S64 PolarHBondContact OD1-OG 3.37Å; D62-L65 HydrophobicContact CB-CD1 4.23Å; D62-L65 PolarHBondContact O-N 3.42Å; D62-L65 VanDerWaalsContact O-N 3.08Å
63	E	59.4	Low	51.8	Low	164 Å²	164	133 Å²	133	77%	0.766	69%	0.688	S	S	*	*	H	α-helix	trans	-58.4	-22	-178.3	-161.4	155.2	118.3	0	0	112.2	V61 L66	V61-E63 PolarHBondContact O-N 3.35Å; E63-L66 PolarHBondContact O-N 3.35Å
64	S	57.3	Low	53.7	Low	63 Å²	63	125.9 Å²	125.9	44%	0.441	66%	0.663	S	S	.	*	H	α-helix	trans	-71.4	-28.7	176.5	72.7	0	0	0	0	114	D62 L66 E67 E68	D62-S64 PolarHBondContact O-N 3.02Å; D62-S64 VanDerWaalsContact O-N 3.1Å; D62-S64 WeakPolarHBondContact OD1-CB 3.3Å; D62-S64 PolarHBondContact OD1-N 3.01Å; D62-S64 PolarHBondContact OD1-OG 3.37Å; S64-L66 VanDerWaalsContact C-N 3.29Å; S64-L66 PolarHBondContact O-N 3.29Å; S64-E67 PolarHBondContact O-N 3.25Å; S64-E68 WeakPolarHBondContact O-CG 3.45Å; S64-E68 PolarHBondContact O-N 3.06Å
65	L	58	Low	55.4	Low	119 Å²	119	124.2 Å²	124.2	62%	0.623	65%	0.652	S	S	*	*	H	α-helix	trans	-74.2	-22.6	179.8	-74.6	167.8	0	0	0	112.3	D62 M69	D62-L65 HydrophobicContact CB-CD1 4.23Å; D62-L65 PolarHBondContact O-N 3.42Å; D62-L65 VanDerWaalsContact O-N 3.08Å; L65-M69 PolarHBondContact O-N 3.18Å
66	L	58.3	Low	57.3	Low	107 Å²	107	121.2 Å²	121.2	56%	0.56	64%	0.637	S	S	*	*	H	α-helix	trans	-75.3	-35.6	174.4	-75.4	158	0	0	0	111.6	E63 S64 T70	E63-L66 PolarHBondContact O-N 3.35Å; S64-L66 VanDerWaalsContact C-N 3.29Å; S64-L66 PolarHBondContact O-N 3.29Å; L66-T70 WeakPolarHBondContact O-CB 3.17Å; L66-T70 WeakPolarHBondContact O-CG2 3.46Å; L66-T70 PolarHBondContact O-N 3.3Å; L66-T70 PolarHBondContact O-OG1 2.94Å; L66-T70 VanDerWaalsContact O-OG1 3.05Å
67	E	57.6	Low	58.9	Low	129 Å²	129	117.7 Å²	117.7	60%	0.603	62%	0.623	S	S	*	*	H	α-helix	trans	-69.6	-40.6	177.2	-64.5	-167.3	135.9	0	0	112	S64 M69 T70 M71	S64-E67 PolarHBondContact O-N 3.25Å; E67-M69 PolarHBondContact O-N 3.32Å; E67-T70 WeakPolarHBondContact CA-OG1 3.28Å; E67-T70 PolarHBondContact O-N 3.05Å; E67-T70 PolarHBondContact O-OG1 3.44Å; E67-M71 VanDerWaalsContact O-CG 3.3Å; E67-M71 WeakPolarHBondContact O-CG 3.4Å; E67-M71 PolarHBondContact O-N 3.4Å
68	E	58.5	Low	60.6	Low	140 Å²	140	115.5 Å²	115.5	65%	0.654	61%	0.612	S	S	*	*	H	α-helix	trans	-63	-40.3	177	-67.9	-71	148.7	0	0	112.4	S64	S64-E68 WeakPolarHBondContact O-CG 3.45Å; S64-E68 PolarHBondContact O-N 3.06Å
69	M	55.6	Low	62.2	Low	146 Å²	146	112.1 Å²	112.1	72%	0.719	60%	0.602	S	S	*	*	H	α-helix	trans	-74.2	-28.4	-179.8	-133	175.4	-167.9	0	0	112.3	L65 E67 L73	L65-M69 PolarHBondContact O-N 3.18Å; E67-M69 PolarHBondContact O-N 3.32Å; M69-L73 WeakPolarHBondContact O-CB 3.46Å; M69-L73 PolarHBondContact O-N 3.08Å
70	T	60.3	Low	63.5	Low	92 Å²	92	111.9 Å²	111.9	56%	0.564	60%	0.595	S	S	*	*	H	α-helix	trans	-81.4	-33	179.4	56.7	0	0	0	0	113	L66 E67 S72 G74	L66-T70 WeakPolarHBondContact O-CB 3.17Å; L66-T70 WeakPolarHBondContact O-CG2 3.46Å; L66-T70 PolarHBondContact O-N 3.3Å; L66-T70 PolarHBondContact O-OG1 2.94Å; L66-T70 VanDerWaalsContact O-OG1 3.05Å; E67-T70 WeakPolarHBondContact CA-OG1 3.28Å; E67-T70 PolarHBondContact O-N 3.05Å; E67-T70 PolarHBondContact O-OG1 3.44Å; T70-S72 VanDerWaalsContact C-N 3.33Å; T70-S72 PolarHBondContact O-N 3.49Å; T70-G74 PolarHBondContact O-N 3Å
71	M	63.7	Low	64.8	Low	142 Å²	142	108.4 Å²	108.4	70%	0.7	58%	0.58	S	S	*	*	H	α-helix	trans	-70.6	-26.7	177	-70.4	178.7	69.2	0	0	113.5	E67 P75	E67-M71 VanDerWaalsContact O-CG 3.3Å; E67-M71 WeakPolarHBondContact O-CG 3.4Å; E67-M71 PolarHBondContact O-N 3.4Å; M71-P75 WeakPolarHBondContact O-CD 3.46Å; M71-P75 WeakPolarHBondContact O-CG 3.39Å
72	S	64.6	Low	65.7	Low	74 Å²	74	108.6 Å²	108.6	52%	0.517	58%	0.577	S	S	.	*	H	α-helix	trans	-90.1	-42.4	-179.5	167.7	0	0	0	0	113.4	T70	T70-S72 VanDerWaalsContact C-N 3.33Å; T70-S72 PolarHBondContact O-N 3.49Å
73	L	67.1	Low	66.4	Low	105 Å²	105	106.3 Å²	106.3	55%	0.55	58%	0.575	S	S	.	*	H	α-helix	trans	-82.6	-30.6	-174.8	-134.9	74.9	0	0	0	113.1	M69 L76 L77	M69-L73 WeakPolarHBondContact O-CB 3.46Å; M69-L73 PolarHBondContact O-N 3.08Å; L73-L76 PolarHBondContact O-N 3.1Å; L73-L77 WeakPolarHBondContact O-CB 3.2Å; L73-L77 PolarHBondContact O-N 3.11Å
74	G	77.1	Confident	66.4	Low	32 Å²	32	103.3 Å²	103.3	33%	0.33	56%	0.564	S	S	.	*	H	α-helix	trans	-58.7	-50.9	-179.8	0	0	0	0	0	114	T70 L76 L77 L78	T70-G74 PolarHBondContact O-N 3Å; G74-L76 VanDerWaalsContact C-N 3.34Å; G74-L76 PolarHBondContact O-N 3.39Å; G74-L77 PolarHBondContact O-N 3.03Å; G74-L78 PolarHBondContact O-N 2.88Å
75	P	78.1	Confident	66.6	Low	72 Å²	72	107 Å²	107	47%	0.468	58%	0.577	S	S	.	*	H	α-helix	trans	-61.9	-38.5	177.4	-23	33.2	0	0	0	113	M71 L78 V79	M71-P75 WeakPolarHBondContact O-CD 3.46Å; M71-P75 WeakPolarHBondContact O-CG 3.39Å; P75-L78 PolarHBondContact O-N 3.41Å; P75-V79 WeakPolarHBondContact O-CG2 3.12Å; P75-V79 PolarHBondContact O-N 3.25Å
76	L	73.9	Confident	66.6	Low	113 Å²	113	105.7 Å²	105.7	59%	0.592	58%	0.578	S	S	*	*	H	α-helix	trans	-65.1	-40.2	177.5	-74	167.7	0	0	0	112	L73 G74 V79 F80	L73-L76 PolarHBondContact O-N 3.1Å; G74-L76 VanDerWaalsContact C-N 3.34Å; G74-L76 PolarHBondContact O-N 3.39Å; L76-V79 PolarHBondContact O-N 3.07Å; L76-F80 WeakPolarHBondContact O-CB 3.5Å; L76-F80 PolarHBondContact O-N 2.91Å
77	L	74.4	Confident	66.6	Low	105 Å²	105	106.2 Å²	106.2	55%	0.55	58%	0.58	S	S	.	*	H	α-helix	trans	-66.2	-40.3	176.5	-133.7	155.3	0	0	0	111	L73 G74 F80 M81	L73-L77 WeakPolarHBondContact O-CB 3.2Å; L73-L77 PolarHBondContact O-N 3.11Å; G74-L77 PolarHBondContact O-N 3.03Å; L77-F80 PolarHBondContact O-N 3.14Å; L77-M81 HydrophobicContact CD2-CG 4.09Å; L77-M81 VanDerWaalsContact O-CG 3.22Å; L77-M81 WeakPolarHBondContact O-CG 3.38Å; L77-M81 PolarHBondContact O-N 3.24Å
78	L	73.4	Confident	66.7	Low	115 Å²	115	104.8 Å²	104.8	60%	0.602	58%	0.582	S	S	*	*	H	α-helix	trans	-62.4	-44.1	174.3	-82.9	164.1	0	0	0	112.5	G74 P75 F80 M81 L82	G74-L78 PolarHBondContact O-N 2.88Å; P75-L78 PolarHBondContact O-N 3.41Å; L78-F80 VanDerWaalsContact C-N 3.32Å; L78-F80 PolarHBondContact O-N 3.34Å; L78-M81 PolarHBondContact O-N 2.79Å; L78-L82 WeakPolarHBondContact O-CB 3.39Å; L78-L82 WeakPolarHBondContact O-CD1 3.09Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.3Å; L78-L82 PolarHBondContact O-N 3.26Å
79	V	76.1	Confident	66.6	Low	101 Å²	101	104.1 Å²	104.1	61%	0.612	59%	0.59	S	S	*	*	H	α-helix	trans	-63.3	-39.2	176.4	173.8	0	0	0	0	111.2	P75 L76 L82 G83	P75-V79 WeakPolarHBondContact O-CG2 3.12Å; P75-V79 PolarHBondContact O-N 3.25Å; L76-V79 PolarHBondContact O-N 3.07Å; V79-L82 PolarHBondContact O-N 3.46Å; V79-G83 PolarHBondContact O-N 3.33Å
80	F	71.1	Confident	66.5	Low	145 Å²	145	102.9 Å²	102.9	64%	0.636	59%	0.591	S	S	*	*	H	α-helix	trans	-66.2	-41.4	177.1	-162.7	-100.1	0	0	0	112.3	L76 L77 L78 G83 L84	L76-F80 WeakPolarHBondContact O-CB 3.5Å; L76-F80 PolarHBondContact O-N 2.91Å; L77-F80 PolarHBondContact O-N 3.14Å; L78-F80 VanDerWaalsContact C-N 3.32Å; L78-F80 PolarHBondContact O-N 3.34Å; F80-G83 PolarHBondContact O-N 3.39Å; F80-L84 HydrophobicContact CD1-CD1 3.97Å; F80-L84 HydrophobicContact CE1-CD1 3.91Å; F80-L84 WeakPolarHBondContact O-CG 3.46Å; F80-L84 PolarHBondContact O-N 2.84Å
81	M	74.2	Confident	66.4	Low	110 Å²	110	102.2 Å²	102.2	54%	0.542	58%	0.584	S	S	.	*	H	α-helix	trans	-69.4	-35.6	177.1	-65.9	-62.7	-83.5	0	0	112.4	L77 L78 L84	L77-M81 HydrophobicContact CD2-CG 4.09Å; L77-M81 VanDerWaalsContact O-CG 3.22Å; L77-M81 WeakPolarHBondContact O-CG 3.38Å; L77-M81 PolarHBondContact O-N 3.24Å; L78-M81 PolarHBondContact O-N 2.79Å; M81-L84 HydrophobicContact SD-CD1 4.42Å
82	L	69.8	Low	66.1	Low	115 Å²	115	98.8 Å²	98.8	60%	0.602	57%	0.574	S	S	*	*	H	α-helix	trans	-70.9	-33	173.8	-72.2	164.1	0	0	0	112.3	L78 V79 I85	L78-L82 WeakPolarHBondContact O-CB 3.39Å; L78-L82 WeakPolarHBondContact O-CD1 3.09Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.3Å; L78-L82 PolarHBondContact O-N 3.26Å; V79-L82 PolarHBondContact O-N 3.46Å; L82-I85 PolarHBondContact O-N 3.46Å
83	G	65.5	Low	66.2	Low	44 Å²	44	101.2 Å²	101.2	45%	0.454	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-32.1	177.2	0	0	0	0	0	114.1	V79 F80 I85 S86	V79-G83 PolarHBondContact O-N 3.33Å; F80-G83 PolarHBondContact O-N 3.39Å; G83-I85 PolarHBondContact O-N 3.37Å; G83-S86 PolarHBondContact O-N 3.34Å
84	L	60.3	Low	66.7	Low	100 Å²	100	102.5 Å²	102.5	52%	0.524	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-70.4	-17.7	178.7	-74.5	163.2	0	0	0	113.7	F80 M81 S86	F80-L84 HydrophobicContact CD1-CD1 3.97Å; F80-L84 HydrophobicContact CE1-CD1 3.91Å; F80-L84 WeakPolarHBondContact O-CG 3.46Å; F80-L84 PolarHBondContact O-N 2.84Å; M81-L84 HydrophobicContact SD-CD1 4.42Å; L84-S86 VanDerWaalsContact C-N 3.35Å
85	I	61	Low	67.4	Low	140 Å²	140	102.3 Å²	102.3	72%	0.718	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-84.8	-10.8	-179.6	-64.9	166.7	0	0	0	111.9	L82 G83	L82-I85 PolarHBondContact O-N 3.46Å; G83-I85 PolarHBondContact O-N 3.37Å
86	S	58.9	Low	68.2	Low	93 Å²	93	103.3 Å²	103.3	65%	0.65	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-98.3	10.7	-172.6	-56.5	0	0	0	0	114.9	G83 L84 P88	G83-S86 PolarHBondContact O-N 3.34Å; L84-S86 VanDerWaalsContact C-N 3.35Å; S86-P88 WeakPolarHBondContact O-CD 3.5Å
87	I	57.2	Low	69.3	Low	117 Å²	117	104.5 Å²	104.5	60%	0.6	58%	0.579	S	S	*	*			trans	-84.7	106.4	174.4	-52.5	175.8	0	0	0	107.4
88	P	59	Low	70.4	Confident	99 Å²	99	99.8 Å²	99.8	64%	0.643	55%	0.554	S	S	*	*			trans	-56.3	139.8	171.3	24.3	-32.7	0	0	0	108.2	S86 T90	S86-P88 WeakPolarHBondContact O-CD 3.5Å; P88-T90 PolarHBondContact O-N 3.26Å
89	P	57.4	Low	71.5	Confident	127 Å²	127	98.5 Å²	98.5	83%	0.825	55%	0.547	S	S	*	.			trans	-54.7	112	177.9	22.1	-31.5	0	0	0	107.6	L91	P89-L91 PolarHBondContact O-N 2.93Å
90	T	53.1	Low	72.6	Confident	119 Å²	119	97.1 Å²	97.1	73%	0.73	54%	0.538	S	S	*	.			trans	-62	111.5	176.8	54.3	0	0	0	0	106.2	P88 S92	P88-T90 PolarHBondContact O-N 3.26Å; T90-S92 PolarHBondContact O-N 3.46Å
91	L	59	Low	73.9	Confident	79 Å²	79	90.3 Å²	90.3	41%	0.414	51%	0.508	S	S	.	.			trans	-45.5	104.3	168.1	-99.9	155	0	0	0	107.2	P89 Q93 N200 L202	P89-L91 PolarHBondContact O-N 2.93Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.41Å; L91-N200 WeakPolarHBondContact CD2-O 3.22Å; L91-L202 HydrophobicContact CD2-CD1 4.38Å; L91-L202 HydrophobicContact CD2-CD2 3.83Å; L91-L202 HydrophobicContact CD2-CG 3.77Å
92	S	58	Low	75	Confident	70 Å²	70	86.2 Å²	86.2	49%	0.49	49%	0.488	S	S	.	.			trans	-67.7	93.2	-175.2	-176.6	0	0	0	0	107.7	T90 N94 D95 L202	T90-S92 PolarHBondContact O-N 3.46Å; S92-N94 PolarHBondContact O-N 2.97Å; S92-D95 PolarHBondContact O-N 3.1Å; S92-L202 WeakPolarHBondContact O-CD1 3.26Å
93	Q	64.8	Low	76.4	Confident	125 Å²	125	84 Å²	84	58%	0.584	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.1	175.2	-63.2	-170.5	42.1	0	0	112.3	L91 D95	L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.41Å; Q93-D95 VanDerWaalsContact C-N 3.33Å
94	N	78.3	Confident	78	Confident	131 Å²	131	84.4 Å²	84.4	70%	0.701	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	12.2	178.4	-62.5	-34.8	0	0	0	113.1	S92 P96	S92-N94 PolarHBondContact O-N 2.97Å; N94-P96 VanDerWaalsContact O-CD 3.3Å; N94-P96 WeakPolarHBondContact O-CD 3.3Å
95	D	92.3	Very high	79.8	Confident	29 Å²	29	80 Å²	80	16%	0.155	44%	0.444	C	S	.	.			trans	-62.8	119.1	173	-171.8	-58	0	0	0	110.8	S92 Q93 R97 Y98 I99 L202	S92-D95 PolarHBondContact O-N 3.1Å; Q93-D95 VanDerWaalsContact C-N 3.33Å; D95-R97 PolarHBondContact O-N 3.05Å; D95-R97 WeakPolarHBondContact OD1-CA 3.18Å; D95-R97 VanDerWaalsContact OD1-CB 3.3Å; D95-R97 WeakPolarHBondContact OD1-CB 3.42Å; D95-R97 PolarHBondContact OD1-N 2.92Å; D95-Y98 PolarHBondContact O-N 2.84Å; D95-Y98 PolarHBondContact OD1-N 3.44Å; D95-I99 WeakPolarHBondContact O-CG1 3.49Å; D95-I99 PolarHBondContact O-N 3.03Å; D95-L202 HydrophobicContact CB-CD1 3.97Å
96	P	95.7	Very high	81.6	Confident	93 Å²	93	74.9 Å²	74.9	60%	0.604	42%	0.416	S	S	*	.	H	α-helix	trans	-59.7	-30.6	-178.1	-24.9	34.8	0	0	0	114.3	N94 T100	N94-P96 VanDerWaalsContact O-CD 3.3Å; N94-P96 WeakPolarHBondContact O-CD 3.3Å; P96-T100 WeakPolarHBondContact O-CB 3.44Å; P96-T100 PolarHBondContact O-N 2.89Å; P96-T100 PolarHBondContact O-OG1 2.93Å
97	R	96.8	Very high	83.5	Confident	138 Å²	138	71.8 Å²	71.8	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-75.5	-39.9	-179.9	-51.4	-173.8	90.2	-174	1.3	110.4	D95 T100 F101 E199 V204	D95-R97 PolarHBondContact O-N 3.05Å; D95-R97 WeakPolarHBondContact OD1-CA 3.18Å; D95-R97 VanDerWaalsContact OD1-CB 3.3Å; D95-R97 WeakPolarHBondContact OD1-CB 3.42Å; D95-R97 PolarHBondContact OD1-N 2.92Å; R97-T100 WeakPolarHBondContact O-CB 3.31Å; R97-T100 PolarHBondContact O-N 3.37Å; R97-F101 WeakPolarHBondContact O-CB 3.36Å; R97-F101 PolarHBondContact O-N 3.44Å; R97-E199 WeakPolarHBondContact CD-OE2 3.29Å; R97-E199 IonicContact CZ-OE1 3.8Å; R97-E199 IonicContact CZ-OE2 3.64Å; R97-E199 IonicContact NH1-OE1 3.07Å; R97-E199 PolarHBondContact NH1-OE1 3.19Å; R97-E199 IonicContact NH1-OE2 2.72Å; R97-E199 PolarHBondContact NH1-OE2 2.83Å; R97-V204 HydrophobicContact CB-CB 3.97Å; R97-V204 HydrophobicContact CB-CG1 3.72Å
98	Y	96.9	Very high	85.4	Confident	6 Å²	6	67.3 Å²	67.3	2%	0.024	37%	0.373	C	S	.	.	H	α-helix	trans	-62.8	-43.2	171.4	174.9	-120.8	0	0	0	112.1	D95 T100 F101 L102 K146 L202 P203	D95-Y98 PolarHBondContact O-N 2.84Å; D95-Y98 PolarHBondContact OD1-N 3.44Å; Y98-T100 VanDerWaalsContact C-N 3.29Å; Y98-T100 PolarHBondContact O-N 2.67Å; Y98-F101 WeakPolarHBondContact O-CB 3.36Å; Y98-F101 PolarHBondContact O-N 3.23Å; Y98-L102 HydrophobicContact CD1-CD1 4.35Å; Y98-L102 HydrophobicContact CD2-CG 4.27Å; Y98-L102 HydrophobicContact CE1-CD1 3.7Å; Y98-L102 HydrophobicContact CE1-CG 4.32Å; Y98-L102 HydrophobicContact CE2-CD1 4.04Å; Y98-L102 HydrophobicContact CE2-CD2 3.87Å; Y98-L102 HydrophobicContact CE2-CG 3.79Å; Y98-L102 WeakPolarHBondContact O-CG 3.5Å; Y98-L102 PolarHBondContact O-N 3.16Å; Y98-K146 HydrophobicContact CE2-CG 4.46Å; Y98-K146 WeakPolarHBondContact OH-CE 3.39Å; Y98-L202 HydrophobicContact CD1-CD1 4.23Å; Y98-L202 HydrophobicContact CD1-CD2 4.25Å; Y98-L202 HydrophobicContact CD2-CB 4.17Å; Y98-L202 HydrophobicContact CD2-CD2 4.3Å; Y98-L202 HydrophobicContact CE1-CD2 4.32Å; Y98-L202 HydrophobicContact CE2-CD2 4.38Å; Y98-L202 HydrophobicContact CG-CB 4.16Å; Y98-L202 HydrophobicContact CG-CD1 4.16Å; Y98-L202 HydrophobicContact CG-CD2 4.24Å; Y98-L202 HydrophobicContact CG-CG 4.43Å; Y98-P203 HydrophobicContact CD2-CG 3.7Å; Y98-P203 WeakPolarHBondContact CD2-O 3.39Å; Y98-P203 HydrophobicContact CE2-CG 3.6Å
99	I	97.1	Very high	87.1	Confident	88 Å²	88	70.6 Å²	70.6	45%	0.451	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-43.2	174.8	-67	165.5	0	0	0	110.4	D95 L102 N103	D95-I99 WeakPolarHBondContact O-CG1 3.49Å; D95-I99 PolarHBondContact O-N 3.03Å; I99-L102 PolarHBondContact O-N 2.76Å; I99-N103 WeakPolarHBondContact O-CB 3.16Å; I99-N103 PolarHBondContact O-N 3.25Å
100	T	98	Very high	88.9	Confident	71 Å²	71	66 Å²	66	44%	0.436	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-45.3	175.9	-60.6	0	0	0	0	111.3	P96 R97 Y98 L102 N103 Q104	P96-T100 WeakPolarHBondContact O-CB 3.44Å; P96-T100 PolarHBondContact O-N 2.89Å; P96-T100 PolarHBondContact O-OG1 2.93Å; R97-T100 WeakPolarHBondContact O-CB 3.31Å; R97-T100 PolarHBondContact O-N 3.37Å; Y98-T100 VanDerWaalsContact C-N 3.29Å; Y98-T100 PolarHBondContact O-N 2.67Å; T100-L102 PolarHBondContact O-N 3.29Å; T100-N103 PolarHBondContact O-N 2.86Å; T100-Q104 HydrophobicContact CG2-CG 4.32Å; T100-Q104 WeakPolarHBondContact O-CG 3.33Å; T100-Q104 PolarHBondContact O-N 3.33Å
101	F	98.4	Very high	90.9	Very high	3 Å²	3	66.2 Å²	66.2	1%	0.013	35%	0.351	C	S	.	.	H	α-helix	trans	-55.4	-49.2	175.2	173.8	-86.5	0	0	0	111.2	R97 Y98 N103 Q104 H105 I138 I145 I196 P203 L206	R97-F101 WeakPolarHBondContact O-CB 3.36Å; R97-F101 PolarHBondContact O-N 3.44Å; Y98-F101 WeakPolarHBondContact O-CB 3.36Å; Y98-F101 PolarHBondContact O-N 3.23Å; F101-N103 PolarHBondContact O-N 2.87Å; F101-Q104 PolarHBondContact O-N 2.86Å; F101-H105 AromaticContact CD2-CD2 3.97Å; F101-H105 HydrophobicContact CE2-CB 4.41Å; F101-H105 HydrophobicContact CZ-CB 4.39Å; F101-H105 WeakPolarHBondContact O-CB 3.32Å; F101-H105 PolarHBondContact O-N 3.47Å; F101-I138 HydrophobicContact CZ-CD1 4.04Å; F101-I145 HydrophobicContact CE1-CG2 3.91Å; F101-I145 HydrophobicContact CZ-CG2 4.04Å; F101-I196 HydrophobicContact CE2-CG2 4.14Å; F101-I196 HydrophobicContact CZ-CG2 4.26Å; F101-P203 WeakPolarHBondContact CB-O 3.42Å; F101-P203 HydrophobicContact CD1-CB 3.98Å; F101-P203 HydrophobicContact CD1-CG 3.78Å; F101-P203 HydrophobicContact CD2-CB 4.27Å; F101-P203 HydrophobicContact CE1-CB 3.75Å; F101-P203 HydrophobicContact CE1-CG 3.68Å; F101-P203 HydrophobicContact CE2-CB 4.02Å; F101-P203 HydrophobicContact CG-CB 4.25Å; F101-P203 HydrophobicContact CG-CG 4.43Å; F101-P203 WeakPolarHBondContact CG-O 3.36Å; F101-P203 HydrophobicContact CZ-CB 3.77Å; F101-P203 HydrophobicContact CZ-CG 4.21Å; F101-L206 HydrophobicContact CE2-CB 3.98Å
102	L	98.3	Very high	92.6	Very high	23 Å²	23	64.5 Å²	64.5	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-43	177.5	-68.4	-179	0	0	0	112.2	Y98 I99 T100 Q104 Y106 R125 K142	Y98-L102 HydrophobicContact CD1-CD1 4.35Å; Y98-L102 HydrophobicContact CD2-CG 4.27Å; Y98-L102 HydrophobicContact CE1-CD1 3.7Å; Y98-L102 HydrophobicContact CE1-CG 4.32Å; Y98-L102 HydrophobicContact CE2-CD1 4.04Å; Y98-L102 HydrophobicContact CE2-CD2 3.87Å; Y98-L102 HydrophobicContact CE2-CG 3.79Å; Y98-L102 WeakPolarHBondContact O-CG 3.5Å; Y98-L102 PolarHBondContact O-N 3.16Å; I99-L102 PolarHBondContact O-N 2.76Å; T100-L102 PolarHBondContact O-N 3.29Å; L102-Q104 VanDerWaalsContact C-N 3.29Å; L102-Q104 PolarHBondContact O-N 3.03Å; L102-Y106 HydrophobicContact CD2-CD1 4.21Å; L102-Y106 HydrophobicContact CD2-CG 3.96Å; L102-Y106 WeakPolarHBondContact O-CB 3.45Å; L102-Y106 PolarHBondContact O-N 3.47Å; L102-R125 PolarHBondContact O-NH1 2.89Å; L102-K142 HydrophobicContact CD1-CD 3.99Å; L102-K142 HydrophobicContact CD2-CD 4.17Å; L102-K142 HydrophobicContact CD2-CG 4.14Å
103	N	98.4	Very high	94.5	Very high	68 Å²	68	62.7 Å²	62.7	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-41	177.8	178.4	64.8	0	0	0	111.4	I99 T100 F101 R125	I99-N103 WeakPolarHBondContact O-CB 3.16Å; I99-N103 PolarHBondContact O-N 3.25Å; T100-N103 PolarHBondContact O-N 2.86Å; F101-N103 PolarHBondContact O-N 2.87Å; N103-R125 PolarHBondContact ND2-O 3.36Å; N103-R125 VanDerWaalsContact ND2-O 3.08Å; N103-R125 WeakPolarHBondContact O-CB 3.23Å; N103-R125 VanDerWaalsContact O-CD 3.29Å; N103-R125 WeakPolarHBondContact O-CD 3.41Å; N103-R125 VanDerWaalsContact O-CG 3.28Å; N103-R125 WeakPolarHBondContact O-CG 3.39Å; N103-R125 PolarHBondContact O-NH1 2.89Å; N103-R125 WeakPolarHBondContact OD1-CD 3.47Å
104	Q	98.6	Very high	96.1	Very high	54 Å²	54	59.9 Å²	59.9	25%	0.252	32%	0.323	S	S	.	.	H	α-helix	trans	-80.2	-37.6	-177.9	-64.7	-163.9	6.9	0	0	113	T100 F101 L102 L127 N135 F137	T100-Q104 HydrophobicContact CG2-CG 4.32Å; T100-Q104 WeakPolarHBondContact O-CG 3.33Å; T100-Q104 PolarHBondContact O-N 3.33Å; F101-Q104 PolarHBondContact O-N 2.86Å; L102-Q104 VanDerWaalsContact C-N 3.29Å; L102-Q104 PolarHBondContact O-N 3.03Å; Q104-L127 HydrophobicContact CG-CD2 3.92Å; Q104-N135 PolarHBondContact O-ND2 3.43Å; Q104-N135 PolarHBondContact O-OD1 3.04Å; Q104-F137 WeakPolarHBondContact O-CE1 3.32Å
105	H	98.6	Very high	97.1	Very high	6 Å²	6	56 Å²	56	3%	0.028	30%	0.302	C	S	.	.	H	α-helix	trans	-125.9	-1.2	-161.5	-58.7	-63.8	0	0	0	115.3	F101 T136 F137 I138 L206 E208	F101-H105 AromaticContact CD2-CD2 3.97Å; F101-H105 HydrophobicContact CE2-CB 4.41Å; F101-H105 HydrophobicContact CZ-CB 4.39Å; F101-H105 WeakPolarHBondContact O-CB 3.32Å; F101-H105 PolarHBondContact O-N 3.47Å; H105-T136 WeakPolarHBondContact CA-O 3.35Å; H105-T136 PolarHBondContact ND1-O 2.6Å; H105-T136 VanDerWaalsContact ND1-O 3.08Å; H105-F137 CarbonylContact O-C 3.54Å; H105-F137 WeakPolarHBondContact O-CA 3.36Å; H105-I138 HydrophobicContact CB-CD1 4.43Å; H105-I138 WeakPolarHBondContact O-CB 3.42Å; H105-I138 PolarHBondContact O-N 3.1Å; H105-L206 HydrophobicContact CB-CD2 4.12Å; H105-L206 WeakPolarHBondContact ND1-CD2 3.27Å; H105-E208 IonicContact CE1-OE1 3.32Å; H105-E208 PolarHBondContact CE1-OE1 3.39Å; H105-E208 IonicContact ND1-OE1 3.42Å; H105-E208 PolarHBondContact ND1-OE1 3.05Å
106	Y	98.6	Very high	97.4	Very high	34 Å²	34	64.1 Å²	64.1	13%	0.133	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-115.3	130.6	-178.5	177.5	-107.2	0	0	0	112.6	L102 A108 R125 G140 K142 I145	L102-Y106 HydrophobicContact CD2-CD1 4.21Å; L102-Y106 HydrophobicContact CD2-CG 3.96Å; L102-Y106 WeakPolarHBondContact O-CB 3.45Å; L102-Y106 PolarHBondContact O-N 3.47Å; Y106-A108 HydrophobicContact CE1-CB 4.03Å; Y106-A108 HydrophobicContact CE2-CB 4.46Å; Y106-A108 VanDerWaalsContact OH-CB 3.27Å; Y106-A108 WeakPolarHBondContact OH-CB 3.41Å; Y106-R125 VanDerWaalsContact O-CZ 3.25Å; Y106-R125 PolarHBondContact O-NH1 3.35Å; Y106-R125 PolarHBondContact O-NH2 3.16Å; Y106-G140 VanDerWaalsContact CE2-O 3.32Å; Y106-G140 WeakPolarHBondContact CE2-O 3.47Å; Y106-G140 PolarHBondContact OH-O 3.09Å; Y106-K142 HydrophobicContact CD1-CG 4.21Å; Y106-K142 HydrophobicContact CD2-CG 4.41Å; Y106-K142 HydrophobicContact CE1-CD 4.19Å; Y106-K142 VanDerWaalsContact CE1-CE 3.41Å; Y106-K142 HydrophobicContact CE1-CG 3.69Å; Y106-K142 HydrophobicContact CE2-CG 3.89Å; Y106-K142 VanDerWaalsContact CZ-CG 3.48Å; Y106-I145 HydrophobicContact CD2-CD1 3.53Å; Y106-I145 HydrophobicContact CE2-CD1 3.94Å
107	D	98.5	Very high	97.5	Very high	28 Å²	28	60.7 Å²	60.7	15%	0.15	31%	0.306	C	S	.	.			trans	-145	106.9	166.7	-170.5	44.2	0	0	0	110	H109 P110 Y117 I121 R125 F137 I138 H139	D107-H109 PolarHBondContact O-N 2.87Å; D107-P110 WeakPolarHBondContact OD2-CA 3.29Å; D107-P110 WeakPolarHBondContact OD2-CB 2.97Å; D107-Y117 WeakPolarHBondContact OD2-CE2 3.19Å; D107-Y117 PolarHBondContact OD2-OH 2.74Å; D107-I121 HydrophobicContact CB-CD1 3.83Å; D107-R125 IonicContact OD1-NH2 2.61Å; D107-R125 PolarHBondContact OD1-NH2 3.41Å; D107-F137 HydrophobicContact CB-CB 4.45Å; D107-F137 HydrophobicContact CB-CD1 4.36Å; D107-I138 PolarHBondContact N-O 3.27Å; D107-H139 WeakPolarHBondContact O-CA 3.18Å; D107-H139 PolarHBondContact O-ND1 3.41Å
108	A	97	Very high	97.6	Very high	23 Å²	23	54.1 Å²	54.1	19%	0.19	28%	0.281	C	S	.	.	S	Bend	trans	-60.6	-48.5	-167.8	0	0	0	0	0	113.3	Y106 G140	Y106-A108 HydrophobicContact CE1-CB 4.03Å; Y106-A108 HydrophobicContact CE2-CB 4.46Å; Y106-A108 VanDerWaalsContact OH-CB 3.27Å; Y106-A108 WeakPolarHBondContact OH-CB 3.41Å; A108-G140 PolarHBondContact O-N 3.21Å
109	H	94.8	Very high	97.7	Very high	168 Å²	168	55.6 Å²	55.6	78%	0.778	29%	0.289	S	S	*	.	S	Bend	trans	-132.9	78.9	-170	-56.5	105.8	0	0	0	109.9	D107	D107-H109 PolarHBondContact O-N 2.87Å
110	P	95.6	Very high	97.7	Very high	29 Å²	29	53.3 Å²	53.3	19%	0.188	28%	0.281	C	S	.	.			trans	-71.3	145	-177.7	34.2	-40.8	0	0	0	110.8	D107 R113 Y117 H139	D107-P110 WeakPolarHBondContact OD2-CA 3.29Å; D107-P110 WeakPolarHBondContact OD2-CB 2.97Å; P110-R113 HydrophobicContact CB-CG 3.55Å; P110-R113 HydrophobicContact CG-CG 3.59Å; P110-Y117 HydrophobicContact CB-CD2 4.4Å; P110-Y117 HydrophobicContact CB-CE2 3.78Å; P110-H139 HydrophobicContact CG-CB 4.39Å; P110-H139 VanDerWaalsContact CG-CE1 3.5Å; P110-H139 WeakPolarHBondContact CG-CE1 3.32Å; P110-H139 WeakPolarHBondContact CG-ND1 3.21Å
111	T	94.6	Very high	97.7	Very high	125 Å²	125	50.2 Å²	50.2	77%	0.767	26%	0.262	S	S	*	.	S	Bend	trans	-105.6	132.6	169.8	-51.7	0	0	0	0	109.6	R113	T111-R113 PolarHBondContact O-N 3.1Å
112	G	95.6	Very high	97.7	Very high	42 Å²	42	50.1 Å²	50.1	43%	0.433	26%	0.261	S	S	.	.	S	Bend	trans	76.6	-49.3	176.6	0	0	0	0	0	114.7	D114 R189	G112-D114 PolarHBondContact O-N 3.44Å; G112-R189 PolarHBondContact O-NH2 3.21Å
113	R	98.1	Very high	97.7	Very high	32 Å²	32	56.7 Å²	56.7	12%	0.121	29%	0.285	C	S	.	.			trans	49.7	41.1	-176.2	-59.4	170.2	64.1	-155.3	2.1	112.4	P110 T111 I169 T170 R189 G190	P110-R113 HydrophobicContact CB-CG 3.55Å; P110-R113 HydrophobicContact CG-CG 3.59Å; T111-R113 PolarHBondContact O-N 3.1Å; R113-I169 PolarHBondContact NH2-O 2.95Å; R113-T170 HydrophobicContact CB-CG2 4.26Å; R113-T170 WeakPolarHBondContact CG-OG1 3.39Å; R113-T170 PolarHBondContact NE-OG1 2.79Å; R113-R189 HydrophobicContact CB-CG 4.01Å; R113-R189 WeakPolarHBondContact O-CG 3.25Å; R113-R189 PolarHBondContact O-NE 2.91Å; R113-G190 PolarHBondContact NH2-O 2.96Å
114	D	98.5	Very high	97.7	Very high	67 Å²	67	62.1 Å²	62.1	36%	0.358	30%	0.3	S	S	.	.	S	Bend	trans	-115.6	-175.5	-179.5	65.1	-0.6	0	0	0	110.9	G112 R116 Y117 C118 A187	G112-D114 PolarHBondContact O-N 3.44Å; D114-R116 PolarHBondContact O-N 2.85Å; D114-R116 WeakPolarHBondContact OD1-CB 3.45Å; D114-R116 PolarHBondContact OD1-N 3.32Å; D114-Y117 WeakPolarHBondContact O-CB 3.48Å; D114-Y117 PolarHBondContact O-N 3.18Å; D114-Y117 VanDerWaalsContact O-N 3.09Å; D114-Y117 PolarHBondContact OD1-N 3.23Å; D114-C118 PolarHBondContact O-N 3.28Å; D114-A187 WeakPolarHBondContact O-CB 3.46Å
115	D	98.4	Very high	97.7	Very high	48 Å²	48	61.2 Å²	61.2	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-34	179.2	-67	-0.7	0	0	0	112	C118 N119 R186 A187	D115-C118 PolarHBondContact O-N 3.1Å; D115-N119 WeakPolarHBondContact O-CB 3.02Å; D115-N119 PolarHBondContact O-N 3.25Å; D115-N119 PolarHBondContact O-ND2 2.9Å; D115-R186 WeakPolarHBondContact OD1-CA 3.28Å; D115-R186 WeakPolarHBondContact OD2-CD 3.3Å; D115-R186 IonicContact OD2-CZ 3.36Å; D115-R186 IonicContact OD2-NE 2.78Å; D115-R186 IonicContact OD2-NH1 3.75Å; D115-R186 PolarHBondContact OD2-NH1 2.86Å; D115-A187 PolarHBondContact OD1-N 2.69Å
116	R	98.3	Very high	97.7	Very high	201 Å²	201	69.6 Å²	69.6	76%	0.758	33%	0.331	S	S	*	.	H	α-helix	trans	-66.7	-43.8	176.9	-173.8	-173	-66.6	-152.3	-0.3	110.8	D114 N119 S120	D114-R116 PolarHBondContact O-N 2.85Å; D114-R116 WeakPolarHBondContact OD1-CB 3.45Å; D114-R116 PolarHBondContact OD1-N 3.32Å; R116-N119 PolarHBondContact O-N 2.96Å; R116-S120 VanDerWaalsContact O-CB 3.28Å; R116-S120 WeakPolarHBondContact O-CB 3.49Å; R116-S120 PolarHBondContact O-N 2.9Å
117	Y	98.6	Very high	97.7	Very high	21 Å²	21	68.8 Å²	68.8	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-55	-53.5	171.7	162.8	-91.9	0	0	0	110.5	D107 P110 D114 N119 S120 I121 F137 T170	D107-Y117 WeakPolarHBondContact OD2-CE2 3.19Å; D107-Y117 PolarHBondContact OD2-OH 2.74Å; P110-Y117 HydrophobicContact CB-CD2 4.4Å; P110-Y117 HydrophobicContact CB-CE2 3.78Å; D114-Y117 WeakPolarHBondContact O-CB 3.48Å; D114-Y117 PolarHBondContact O-N 3.18Å; D114-Y117 VanDerWaalsContact O-N 3.09Å; D114-Y117 PolarHBondContact OD1-N 3.23Å; Y117-N119 PolarHBondContact O-N 2.83Å; Y117-S120 PolarHBondContact O-N 2.8Å; Y117-S120 VanDerWaalsContact O-N 3.13Å; Y117-I121 HydrophobicContact CD1-CG2 4.29Å; Y117-I121 HydrophobicContact CE1-CG2 3.89Å; Y117-I121 HydrophobicContact CE2-CB 4.3Å; Y117-I121 HydrophobicContact CE2-CD1 3.75Å; Y117-I121 HydrophobicContact CE2-CG2 4.29Å; Y117-I121 VanDerWaalsContact O-CG2 3.3Å; Y117-I121 WeakPolarHBondContact O-CG2 3.39Å; Y117-I121 PolarHBondContact O-N 2.92Å; Y117-I121 WeakPolarHBondContact OH-CD1 3.35Å; Y117-F137 HydrophobicContact CE1-CD2 4.26Å; Y117-F137 WeakPolarHBondContact OH-CB 3.44Å; Y117-F137 WeakPolarHBondContact OH-CG 3.5Å; Y117-T170 HydrophobicContact CD1-CG2 3.88Å; Y117-T170 HydrophobicContact CE1-CG2 3.67Å
118	C	98.6	Very high	97.6	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-48.2	-179.1	-82.4	0	0	0	0	112.3	D114 D115 S120 M122 C172 A187	D114-C118 PolarHBondContact O-N 3.28Å; D115-C118 PolarHBondContact O-N 3.1Å; C118-S120 VanDerWaalsContact C-N 3.25Å; C118-S120 PolarHBondContact O-N 2.82Å; C118-M122 VanDerWaalsContact O-CB 3.25Å; C118-M122 WeakPolarHBondContact O-CB 3.46Å; C118-M122 WeakPolarHBondContact O-CG 3.26Å; C118-M122 PolarHBondContact O-N 2.67Å; C118-C172 WeakPolarHBondContact CA-SG 3.44Å; C118-C172 HydrophobicContact CB-CB 3.7Å; C118-C172 WeakPolarHBondContact CB-SG 3.48Å; C118-C172 WeakPolarHBondContact SG-CA 3.13Å; C118-C172 WeakPolarHBondContact SG-CB 3.01Å; C118-C172 CovalentContact SG-SG 2.04Å; C118-C172 PolarHBondContact SG-SG 3.43Å; C118-A187 HydrophobicContact CB-CB 4.44Å; C118-A187 VanDerWaalsContact SG-CB 3.59Å
119	N	98.1	Very high	97.6	Very high	36 Å²	36	72.8 Å²	72.8	19%	0.193	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-37.6	176.9	-71	-41.2	0	0	0	112.7	D115 R116 Y117 R184 Y185	D115-N119 WeakPolarHBondContact O-CB 3.02Å; D115-N119 PolarHBondContact O-N 3.25Å; D115-N119 PolarHBondContact O-ND2 2.9Å; R116-N119 PolarHBondContact O-N 2.96Å; Y117-N119 PolarHBondContact O-N 2.83Å; N119-R184 WeakPolarHBondContact OD1-CA 3.5Å; N119-Y185 PolarHBondContact OD1-N 2.78Å
120	S	98.3	Very high	97.6	Very high	41 Å²	41	69.2 Å²	69.2	29%	0.287	35%	0.348	S	S	.	.	H	α-helix	trans	-76.4	-49.8	-179.1	-174.8	0	0	0	0	112.5	R116 Y117 C118 R123 R124	R116-S120 VanDerWaalsContact O-CB 3.28Å; R116-S120 WeakPolarHBondContact O-CB 3.49Å; R116-S120 PolarHBondContact O-N 2.9Å; Y117-S120 PolarHBondContact O-N 2.8Å; Y117-S120 VanDerWaalsContact O-N 3.13Å; C118-S120 VanDerWaalsContact C-N 3.25Å; C118-S120 PolarHBondContact O-N 2.82Å; S120-R123 PolarHBondContact O-N 3.16Å; S120-R124 WeakPolarHBondContact O-CB 3.38Å; S120-R124 PolarHBondContact O-N 2.76Å
121	I	98.6	Very high	97.7	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-40.1	-175.2	-162.1	171.4	0	0	0	111.3	D107 Y117 R123 R124 R125 F137	D107-I121 HydrophobicContact CB-CD1 3.83Å; Y117-I121 HydrophobicContact CD1-CG2 4.29Å; Y117-I121 HydrophobicContact CE1-CG2 3.89Å; Y117-I121 HydrophobicContact CE2-CB 4.3Å; Y117-I121 HydrophobicContact CE2-CD1 3.75Å; Y117-I121 HydrophobicContact CE2-CG2 4.29Å; Y117-I121 VanDerWaalsContact O-CG2 3.3Å; Y117-I121 WeakPolarHBondContact O-CG2 3.39Å; Y117-I121 PolarHBondContact O-N 2.92Å; Y117-I121 WeakPolarHBondContact OH-CD1 3.35Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 2.9Å; I121-R124 PolarHBondContact O-N 2.95Å; I121-R124 VanDerWaalsContact O-N 3.07Å; I121-R125 HydrophobicContact CG1-CG 3.96Å; I121-R125 WeakPolarHBondContact O-CB 3.46Å; I121-R125 VanDerWaalsContact O-CG 3.27Å; I121-R125 WeakPolarHBondContact O-CG 3.32Å; I121-R125 PolarHBondContact O-N 2.72Å; I121-F137 HydrophobicContact CB-CE2 4.49Å; I121-F137 HydrophobicContact CB-CZ 4.37Å; I121-F137 HydrophobicContact CD1-CD1 3.82Å; I121-F137 HydrophobicContact CD1-CD2 4.41Å; I121-F137 HydrophobicContact CD1-CE1 3.72Å; I121-F137 HydrophobicContact CD1-CE2 4.33Å; I121-F137 HydrophobicContact CD1-CG 4.17Å; I121-F137 HydrophobicContact CD1-CZ 3.99Å; I121-F137 HydrophobicContact CG1-CE1 3.99Å; I121-F137 HydrophobicContact CG1-CE2 4.4Å; I121-F137 HydrophobicContact CG1-CZ 3.89Å; I121-F137 HydrophobicContact CG2-CD2 3.99Å; I121-F137 HydrophobicContact CG2-CE1 4.47Å; I121-F137 HydrophobicContact CG2-CE2 3.38Å; I121-F137 HydrophobicContact CG2-CZ 3.67Å
122	M	98.5	Very high	97.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-42	176.7	-68.9	-63.6	-78.1	0	0	111.2	C118 K126 L127 T128 K132 N135 F137 C172 Y185	C118-M122 VanDerWaalsContact O-CB 3.25Å; C118-M122 WeakPolarHBondContact O-CB 3.46Å; C118-M122 WeakPolarHBondContact O-CG 3.26Å; C118-M122 PolarHBondContact O-N 2.67Å; M122-K126 PolarHBondContact O-N 2.79Å; M122-L127 HydrophobicContact CE-CB 3.65Å; M122-L127 HydrophobicContact CE-CD1 4.11Å; M122-L127 PolarHBondContact O-N 2.96Å; M122-L127 HydrophobicContact SD-CB 4.14Å; M122-L127 HydrophobicContact SD-CD1 3.82Å; M122-T128 HydrophobicContact CB-CG2 4.09Å; M122-K132 HydrophobicContact CE-CB 3.91Å; M122-N135 HydrophobicContact CE-CB 3.6Å; M122-N135 HydrophobicContact SD-CB 3.69Å; M122-F137 HydrophobicContact SD-CE2 3.76Å; M122-F137 HydrophobicContact SD-CZ 3.96Å; M122-C172 HydrophobicContact CG-CB 4.17Å; M122-C172 HydrophobicContact SD-CB 4.19Å; M122-Y185 HydrophobicContact CB-CD2 4.1Å; M122-Y185 HydrophobicContact CB-CE2 3.66Å; M122-Y185 HydrophobicContact CE-CD1 4.39Å; M122-Y185 HydrophobicContact CE-CE1 3.59Å; M122-Y185 HydrophobicContact CE-CE2 4.36Å; M122-Y185 WeakPolarHBondContact CE-OH 3.36Å; M122-Y185 HydrophobicContact CG-CD1 4.3Å; M122-Y185 HydrophobicContact CG-CD2 3.96Å; M122-Y185 HydrophobicContact CG-CE1 4.2Å; M122-Y185 HydrophobicContact CG-CE2 3.8Å; M122-Y185 HydrophobicContact CG-CG 4.2Å
123	R	98.1	Very high	97.9	Very high	162 Å²	162	68.1 Å²	68.1	61%	0.611	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-47.1	173.8	-176.5	177.9	63	-132	-1.1	111.8	S120 I121 R125 K126 T128	S120-R123 PolarHBondContact O-N 3.16Å; I121-R123 VanDerWaalsContact C-N 3.26Å; I121-R123 PolarHBondContact O-N 2.9Å; R123-R125 PolarHBondContact O-N 2.04Å; R123-K126 PolarHBondContact O-N 3.17Å; R123-T128 HydrophobicContact CB-CG2 4.4Å
124	R	98.3	Very high	97.8	Very high	182 Å²	182	67.6 Å²	67.6	69%	0.687	32%	0.319	S	S	*	.	H	α-helix	trans	-58.2	-37.6	179.6	-172.1	-175.2	-64.1	-176.3	-1.2	112	S120 I121 K126	S120-R124 WeakPolarHBondContact O-CB 3.38Å; S120-R124 PolarHBondContact O-N 2.76Å; I121-R124 PolarHBondContact O-N 2.95Å; I121-R124 VanDerWaalsContact O-N 3.07Å; R124-K126 VanDerWaalsContact C-N 3.31Å
125	R	98.3	Very high	97.8	Very high	34 Å²	34	64.4 Å²	64.4	13%	0.128	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.2	179.4	-55.1	-55.2	-178.6	80.3	-0.1	113.8	L102 N103 Y106 D107 I121 R123 L127 F137	L102-R125 PolarHBondContact O-NH1 2.89Å; N103-R125 PolarHBondContact ND2-O 3.36Å; N103-R125 VanDerWaalsContact ND2-O 3.08Å; N103-R125 WeakPolarHBondContact O-CB 3.23Å; N103-R125 VanDerWaalsContact O-CD 3.29Å; N103-R125 WeakPolarHBondContact O-CD 3.41Å; N103-R125 VanDerWaalsContact O-CG 3.28Å; N103-R125 WeakPolarHBondContact O-CG 3.39Å; N103-R125 PolarHBondContact O-NH1 2.89Å; N103-R125 WeakPolarHBondContact OD1-CD 3.47Å; Y106-R125 VanDerWaalsContact O-CZ 3.25Å; Y106-R125 PolarHBondContact O-NH1 3.35Å; Y106-R125 PolarHBondContact O-NH2 3.16Å; D107-R125 IonicContact OD1-NH2 2.61Å; D107-R125 PolarHBondContact OD1-NH2 3.41Å; I121-R125 HydrophobicContact CG1-CG 3.96Å; I121-R125 WeakPolarHBondContact O-CB 3.46Å; I121-R125 VanDerWaalsContact O-CG 3.27Å; I121-R125 WeakPolarHBondContact O-CG 3.32Å; I121-R125 PolarHBondContact O-N 2.72Å; R123-R125 PolarHBondContact O-N 2.04Å; R125-L127 HydrophobicContact CB-CD1 4.04Å; R125-L127 HydrophobicContact CB-CG 3.98Å; R125-F137 HydrophobicContact CG-CE1 4.08Å; R125-F137 HydrophobicContact CG-CZ 4.28Å
126	K	98.1	Very high	97.8	Very high	183 Å²	183	62.1 Å²	62.1	80%	0.796	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	39.5	179.2	-55.1	179.6	178.8	179.4	0	114	M122 R123 R124	M122-K126 PolarHBondContact O-N 2.79Å; R123-K126 PolarHBondContact O-N 3.17Å; R124-K126 VanDerWaalsContact C-N 3.31Å
127	L	98	Very high	97.8	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.084	25%	0.254	C	S	.	.			trans	-102.1	31.8	-179.6	-52.4	178.4	0	0	0	112.5	Q104 M122 R125 K132 F137 Y185	Q104-L127 HydrophobicContact CG-CD2 3.92Å; M122-L127 HydrophobicContact CE-CB 3.65Å; M122-L127 HydrophobicContact CE-CD1 4.11Å; M122-L127 PolarHBondContact O-N 2.96Å; M122-L127 HydrophobicContact SD-CB 4.14Å; M122-L127 HydrophobicContact SD-CD1 3.82Å; R125-L127 HydrophobicContact CB-CD1 4.04Å; R125-L127 HydrophobicContact CB-CG 3.98Å; L127-K132 HydrophobicContact CB-CB 4.32Å; L127-K132 PolarHBondContact O-N 3.48Å; L127-F137 HydrophobicContact CD1-CZ 4.39Å; L127-Y185 PolarHBondContact O-OH 2.96Å
128	T	97.8	Very high	97.8	Very high	27 Å²	27	51.5 Å²	51.5	17%	0.166	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-126.3	7.2	-171.2	57.2	0	0	0	0	113.9	M122 R123 P130 P181 C183 Y185	M122-T128 HydrophobicContact CB-CG2 4.09Å; R123-T128 HydrophobicContact CB-CG2 4.4Å; T128-P130 CarbonylContact C-O 3.6Å; T128-P130 CarbonylContact O-C 3.56Å; T128-P181 VanDerWaalsContact O-CG 3.31Å; T128-P181 WeakPolarHBondContact O-CG 3.32Å; T128-C183 VanDerWaalsContact CB-SG 3.5Å; T128-C183 HydrophobicContact CG2-CB 4.12Å; T128-C183 PolarHBondContact O-SG 3.43Å; T128-C183 VanDerWaalsContact O-SG 3.34Å; T128-Y185 HydrophobicContact CG2-CE2 4.27Å
129	S	95.7	Very high	97.8	Very high	108 Å²	108	51.7 Å²	51.7	76%	0.755	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.5	83.7	177.7	-173	0	0	0	0	111.6
130	P	96.3	Very high	97.6	Very high	93 Å²	93	51.7 Å²	51.7	60%	0.604	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	cis	-75.2	170.8	1.1	32.5	-36	0	0	0	113.2	T128 K132 P179	T128-P130 CarbonylContact C-O 3.6Å; T128-P130 CarbonylContact O-C 3.56Å; P130-K132 PolarHBondContact O-N 2.85Å; P130-K132 VanDerWaalsContact O-N 3.16Å; P130-P179 CarbonylContact C-O 3.59Å; P130-P179 WeakPolarHBondContact CA-O 3.39Å; P130-P179 HydrophobicContact CB-CB 4.36Å; P130-P179 WeakPolarHBondContact CB-O 3.38Å
131	C	97.9	Very high	97.6	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.041	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-58.7	116.6	171.4	-56.8	0	0	0	0	109.5	E133 P179 C183	C131-E133 PolarHBondContact O-N 3.06Å; C131-P179 PolarHBondContact N-O 2.81Å; C131-P179 PolarHBondContact SG-O 3.08Å; C131-C183 WeakPolarHBondContact CA-SG 3.05Å; C131-C183 HydrophobicContact CB-CB 3.83Å; C131-C183 WeakPolarHBondContact CB-SG 3.42Å; C131-C183 VanDerWaalsContact SG-CA 3.53Å; C131-C183 WeakPolarHBondContact SG-CB 3.38Å; C131-C183 CovalentContact SG-SG 2.03Å; C131-C183 PolarHBondContact SG-SG 3.01Å
132	K	96.9	Very high	97.5	Very high	56 Å²	56	56.7 Å²	56.7	24%	0.243	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.1	121.3	178	-174.6	173.4	-179.5	-174.8	0	108.7	M122 L127 P130 L134 N135 Y185	M122-K132 HydrophobicContact CE-CB 3.91Å; L127-K132 HydrophobicContact CB-CB 4.32Å; L127-K132 PolarHBondContact O-N 3.48Å; P130-K132 PolarHBondContact O-N 2.85Å; P130-K132 VanDerWaalsContact O-N 3.16Å; K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 WeakPolarHBondContact CE-O 3.32Å; K132-L134 PolarHBondContact O-N 3.08Å; K132-N135 HydrophobicContact CD-CB 4.1Å; K132-N135 WeakPolarHBondContact CE-OD1 3.35Å; K132-N135 PolarHBondContact NZ-OD1 3.37Å; K132-Y185 PolarHBondContact N-OH 3.07Å; K132-Y185 VanDerWaalsContact O-CE1 3.27Å; K132-Y185 WeakPolarHBondContact O-CE1 3.37Å; K132-Y185 PolarHBondContact O-OH 3.12Å
133	E	96.1	Very high	97.4	Very high	111 Å²	111	61.7 Å²	61.7	52%	0.519	31%	0.308	S	S	.	.	S	Bend	trans	-58.7	-40.1	-171.8	-70.7	-57.1	141.8	0	0	114.2	C131 H174	C131-E133 PolarHBondContact O-N 3.06Å; E133-H174 WeakPolarHBondContact O-CB 3.35Å; E133-H174 PolarHBondContact O-N 2.99Å; E133-H174 IonicContact OE1-ND1 3.64Å; E133-H174 PolarHBondContact OE1-ND1 2.78Å; E133-H174 IonicContact OE2-CG 3.3Å; E133-H174 IonicContact OE2-ND1 3.95Å; E133-H174 PolarHBondContact OE2-ND1 3.26Å
134	L	96.9	Very high	97.4	Very high	21 Å²	21	58.4 Å²	58.4	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.8	179.1	-168.6	68.7	0	0	0	109.5	K132 I171 R173 E208 S212	K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 WeakPolarHBondContact CE-O 3.32Å; K132-L134 PolarHBondContact O-N 3.08Å; L134-I171 HydrophobicContact CD1-CG2 3.42Å; L134-I171 VanDerWaalsContact CD1-CG2 3.42Å; L134-I171 HydrophobicContact CG-CG2 4.27Å; L134-R173 HydrophobicContact CD1-CB 3.86Å; L134-R173 HydrophobicContact CD1-CG 4.1Å; L134-E208 HydrophobicContact CD2-CB 4.2Å; L134-S212 WeakPolarHBondContact CD2-OG 3.31Å
135	N	98.3	Very high	97.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	132.1	171.5	-168.2	89.2	0	0	0	111.2	Q104 M122 K132 F137 C172 E208	Q104-N135 PolarHBondContact O-ND2 3.43Å; Q104-N135 PolarHBondContact O-OD1 3.04Å; M122-N135 HydrophobicContact CE-CB 3.6Å; M122-N135 HydrophobicContact SD-CB 3.69Å; K132-N135 HydrophobicContact CD-CB 4.1Å; K132-N135 WeakPolarHBondContact CE-OD1 3.35Å; K132-N135 PolarHBondContact NZ-OD1 3.37Å; N135-F137 VanDerWaalsContact ND2-CE2 3.31Å; N135-F137 WeakPolarHBondContact ND2-CE2 3.23Å; N135-F137 VanDerWaalsContact ND2-CZ 3.3Å; N135-F137 WeakPolarHBondContact ND2-CZ 3.49Å; N135-C172 PolarHBondContact N-O 2.04Å; N135-C172 WeakPolarHBondContact O-CB 3.17Å; N135-C172 PolarHBondContact O-N 2.83Å; N135-E208 WeakPolarHBondContact CA-OE1 3.47Å
136	T	98.6	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.6	179.3	-59.7	0	0	0	0	110.7	H105 I169 I171 L206 E208 F211	H105-T136 WeakPolarHBondContact CA-O 3.35Å; H105-T136 PolarHBondContact ND1-O 2.6Å; H105-T136 VanDerWaalsContact ND1-O 3.08Å; T136-I169 HydrophobicContact CG2-CB 3.87Å; T136-I169 HydrophobicContact CG2-CD1 4.08Å; T136-I169 HydrophobicContact CG2-CG1 4.48Å; T136-I169 HydrophobicContact CG2-CG2 4.22Å; T136-I171 HydrophobicContact CG2-CG1 4.08Å; T136-L206 HydrophobicContact CG2-CD2 4.23Å; T136-E208 VanDerWaalsContact CB-OE2 3.23Å; T136-E208 WeakPolarHBondContact CB-OE2 3.05Å; T136-E208 PolarHBondContact N-OE1 3.36Å; T136-E208 PolarHBondContact N-OE2 3.5Å; T136-E208 PolarHBondContact OG1-OE2 3.42Å; T136-F211 HydrophobicContact CG2-CD2 4.19Å; T136-F211 HydrophobicContact CG2-CE2 3.96Å; T136-F211 HydrophobicContact CG2-CZ 4.27Å; T136-F211 WeakPolarHBondContact OG1-CD2 3.37Å
137	F	98.7	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.5	170.7	-66.8	-80.4	0	0	0	110.3	Q104 H105 D107 Y117 I121 M122 R125 L127 N135 I169 T170	Q104-F137 WeakPolarHBondContact O-CE1 3.32Å; H105-F137 CarbonylContact O-C 3.54Å; H105-F137 WeakPolarHBondContact O-CA 3.36Å; D107-F137 HydrophobicContact CB-CB 4.45Å; D107-F137 HydrophobicContact CB-CD1 4.36Å; Y117-F137 HydrophobicContact CE1-CD2 4.26Å; Y117-F137 WeakPolarHBondContact OH-CB 3.44Å; Y117-F137 WeakPolarHBondContact OH-CG 3.5Å; I121-F137 HydrophobicContact CB-CE2 4.49Å; I121-F137 HydrophobicContact CB-CZ 4.37Å; I121-F137 HydrophobicContact CD1-CD1 3.82Å; I121-F137 HydrophobicContact CD1-CD2 4.41Å; I121-F137 HydrophobicContact CD1-CE1 3.72Å; I121-F137 HydrophobicContact CD1-CE2 4.33Å; I121-F137 HydrophobicContact CD1-CG 4.17Å; I121-F137 HydrophobicContact CD1-CZ 3.99Å; I121-F137 HydrophobicContact CG1-CE1 3.99Å; I121-F137 HydrophobicContact CG1-CE2 4.4Å; I121-F137 HydrophobicContact CG1-CZ 3.89Å; I121-F137 HydrophobicContact CG2-CD2 3.99Å; I121-F137 HydrophobicContact CG2-CE1 4.47Å; I121-F137 HydrophobicContact CG2-CE2 3.38Å; I121-F137 HydrophobicContact CG2-CZ 3.67Å; M122-F137 HydrophobicContact SD-CE2 3.76Å; M122-F137 HydrophobicContact SD-CZ 3.96Å; R125-F137 HydrophobicContact CG-CE1 4.08Å; R125-F137 HydrophobicContact CG-CZ 4.28Å; L127-F137 HydrophobicContact CD1-CZ 4.39Å; N135-F137 VanDerWaalsContact ND2-CE2 3.31Å; N135-F137 WeakPolarHBondContact ND2-CE2 3.23Å; N135-F137 VanDerWaalsContact ND2-CZ 3.3Å; N135-F137 WeakPolarHBondContact ND2-CZ 3.49Å; F137-I169 CarbonylContact O-C 3.57Å; F137-I169 WeakPolarHBondContact O-CA 3.32Å; F137-T170 PolarHBondContact N-O 3.37Å; F137-T170 PolarHBondContact O-N 2.72Å
138	I	98.7	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.3	176.8	-53.6	159	0	0	0	108.2	F101 H105 D107 I145 F167 I169 I194 L206	F101-I138 HydrophobicContact CZ-CD1 4.04Å; H105-I138 HydrophobicContact CB-CD1 4.43Å; H105-I138 WeakPolarHBondContact O-CB 3.42Å; H105-I138 PolarHBondContact O-N 3.1Å; D107-I138 PolarHBondContact N-O 3.27Å; I138-I145 HydrophobicContact CB-CD1 4.13Å; I138-I145 HydrophobicContact CG2-CD1 3.68Å; I138-I145 HydrophobicContact CG2-CG1 4.06Å; I138-F167 HydrophobicContact CG2-CB 3.93Å; I138-F167 HydrophobicContact CG2-CD1 3.63Å; I138-F167 HydrophobicContact CG2-CE1 4.46Å; I138-F167 HydrophobicContact CG2-CG 3.99Å; I138-I169 HydrophobicContact CG1-CG2 4.36Å; I138-I194 HydrophobicContact CD1-CD1 3.59Å; I138-I194 HydrophobicContact CG1-CD1 4.24Å; I138-I194 HydrophobicContact CG2-CD1 4.37Å; I138-L206 HydrophobicContact CD1-CD1 4.14Å; I138-L206 HydrophobicContact CD1-CD2 4.24Å; I138-L206 HydrophobicContact CG1-CD2 4.5Å
139	H	98.4	Very high	97.3	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	23%	0.234	C	C	.	.			trans	-111.7	156.7	179.5	-45.5	-55.4	0	0	0	110.9	D107 P110 Q168 T170	D107-H139 WeakPolarHBondContact O-CA 3.18Å; D107-H139 PolarHBondContact O-ND1 3.41Å; P110-H139 HydrophobicContact CG-CB 4.39Å; P110-H139 VanDerWaalsContact CG-CE1 3.5Å; P110-H139 WeakPolarHBondContact CG-CE1 3.32Å; P110-H139 WeakPolarHBondContact CG-ND1 3.21Å; H139-Q168 HydrophobicContact CB-CB 4.23Å; H139-Q168 WeakPolarHBondContact CB-O 3.3Å; H139-Q168 PolarHBondContact CD2-O 2.88Å; H139-Q168 VanDerWaalsContact CD2-O 3.23Å; H139-Q168 PolarHBondContact N-O 3.27Å; H139-T170 PolarHBondContact NE2-N 3.12Å; H139-T170 PolarHBondContact NE2-OG1 2.93Å
140	G	93.8	Very high	97.2	Very high	35 Å²	35	41.1 Å²	41.1	36%	0.361	22%	0.224	S	C	.	.	S	Bend	trans	112.6	-154.8	-172.2	0	0	0	0	0	112.4	Y106 A108	Y106-G140 VanDerWaalsContact CE2-O 3.32Å; Y106-G140 WeakPolarHBondContact CE2-O 3.47Å; Y106-G140 PolarHBondContact OH-O 3.09Å; A108-G140 PolarHBondContact O-N 3.21Å
141	T	96.9	Very high	97.2	Very high	67 Å²	67	42 Å²	42	41%	0.411	23%	0.228	S	C	.	.			trans	-92.5	148.4	-177.2	67.6	0	0	0	0	111.8	D143 N144 I145	T141-D143 VanDerWaalsContact C-N 3.25Å; T141-D143 PolarHBondContact O-N 3Å; T141-N144 PolarHBondContact O-N 2.91Å; T141-N144 WeakPolarHBondContact OG1-CB 3.43Å; T141-N144 PolarHBondContact OG1-N 2.87Å; T141-N144 PolarHBondContact OG1-ND2 3.19Å; T141-N144 PolarHBondContact OG1-OD1 2.62Å; T141-I145 PolarHBondContact O-N 2.85Å
142	K	96.9	Very high	97.2	Very high	85 Å²	85	43.5 Å²	43.5	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-36.6	173	-67.1	-178.5	-176.9	176.2	0	111.9	L102 Y106 N144 I145 K146	L102-K142 HydrophobicContact CD1-CD 3.99Å; L102-K142 HydrophobicContact CD2-CD 4.17Å; L102-K142 HydrophobicContact CD2-CG 4.14Å; Y106-K142 HydrophobicContact CD1-CG 4.21Å; Y106-K142 HydrophobicContact CD2-CG 4.41Å; Y106-K142 HydrophobicContact CE1-CD 4.19Å; Y106-K142 VanDerWaalsContact CE1-CE 3.41Å; Y106-K142 HydrophobicContact CE1-CG 3.69Å; Y106-K142 HydrophobicContact CE2-CG 3.89Å; Y106-K142 VanDerWaalsContact CZ-CG 3.48Å; K142-N144 VanDerWaalsContact C-N 3.33Å; K142-N144 PolarHBondContact O-N 2.83Å; K142-I145 PolarHBondContact O-N 3.3Å; K142-I145 VanDerWaalsContact O-N 3.1Å; K142-K146 WeakPolarHBondContact O-CG 3.36Å; K142-K146 PolarHBondContact O-N 3.45Å
143	D	96.8	Very high	97.2	Very high	105 Å²	105	41.3 Å²	41.3	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-67	-36.5	-176.1	-58.4	-34.5	0	0	0	111.5	T141 I145 K146 A147	T141-D143 VanDerWaalsContact C-N 3.25Å; T141-D143 PolarHBondContact O-N 3Å; D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.3Å; D143-K146 PolarHBondContact O-N 2.78Å; D143-K146 IonicContact OD1-NZ 3.67Å; D143-A147 VanDerWaalsContact O-CB 3.3Å; D143-A147 WeakPolarHBondContact O-CB 3.31Å; D143-A147 PolarHBondContact O-N 3.12Å
144	N	97.3	Very high	97.3	Very high	94 Å²	94	39.3 Å²	39.3	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-35.6	172.6	-69.3	1.4	0	0	0	112	T141 K142 F167	T141-N144 PolarHBondContact O-N 2.91Å; T141-N144 WeakPolarHBondContact OG1-CB 3.43Å; T141-N144 PolarHBondContact OG1-N 2.87Å; T141-N144 PolarHBondContact OG1-ND2 3.19Å; T141-N144 PolarHBondContact OG1-OD1 2.62Å; K142-N144 VanDerWaalsContact C-N 3.33Å; K142-N144 PolarHBondContact O-N 2.83Å; N144-F167 HydrophobicContact CB-CE1 4.01Å; N144-F167 HydrophobicContact CB-CZ 4.23Å
145	I	97.9	Very high	97.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-71.7	-43.7	177	-57.2	169.4	0	0	0	110.4	F101 Y106 I138 T141 K142 D143 A147 I148 F167 P203	F101-I145 HydrophobicContact CE1-CG2 3.91Å; F101-I145 HydrophobicContact CZ-CG2 4.04Å; Y106-I145 HydrophobicContact CD2-CD1 3.53Å; Y106-I145 HydrophobicContact CE2-CD1 3.94Å; I138-I145 HydrophobicContact CB-CD1 4.13Å; I138-I145 HydrophobicContact CG2-CD1 3.68Å; I138-I145 HydrophobicContact CG2-CG1 4.06Å; T141-I145 PolarHBondContact O-N 2.85Å; K142-I145 PolarHBondContact O-N 3.3Å; K142-I145 VanDerWaalsContact O-N 3.1Å; D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.3Å; I145-A147 VanDerWaalsContact C-N 3.31Å; I145-A147 PolarHBondContact O-N 3.08Å; I145-I148 HydrophobicContact CG2-CD1 4.42Å; I145-I148 VanDerWaalsContact O-CB 3.32Å; I145-I148 WeakPolarHBondContact O-CB 3.47Å; I145-I148 WeakPolarHBondContact O-CD1 3.11Å; I145-I148 WeakPolarHBondContact O-CG1 3.37Å; I145-I148 PolarHBondContact O-N 2.8Å; I145-F167 HydrophobicContact CG1-CD1 4.3Å; I145-F167 HydrophobicContact CG1-CE1 3.75Å; I145-F167 HydrophobicContact CG1-CZ 4.45Å; I145-P203 HydrophobicContact CG2-CB 4.44Å; I145-P203 HydrophobicContact CG2-CG 4.15Å
146	K	97.8	Very high	97.2	Very high	32 Å²	32	47.6 Å²	47.6	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-40.6	174.9	-70.3	178.2	-170.7	167.6	0	111.8	Y98 K142 D143 I148 C149 L202	Y98-K146 HydrophobicContact CE2-CG 4.46Å; Y98-K146 WeakPolarHBondContact OH-CE 3.39Å; K142-K146 WeakPolarHBondContact O-CG 3.36Å; K142-K146 PolarHBondContact O-N 3.45Å; D143-K146 PolarHBondContact O-N 2.78Å; D143-K146 IonicContact OD1-NZ 3.67Å; K146-I148 PolarHBondContact O-N 2.77Å; K146-C149 VanDerWaalsContact O-CB 3.29Å; K146-C149 WeakPolarHBondContact O-CB 3.43Å; K146-C149 PolarHBondContact O-N 2.79Å; K146-L202 HydrophobicContact CD-CD2 4.15Å; K146-L202 HydrophobicContact CG-CD2 4.29Å
147	A	97.9	Very high	97	Very high	21 Å²	21	51.7 Å²	51.7	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-57.1	-24.9	-179.7	0	0	0	0	0	112.5	D143 I145 C149 E150 T151 S152	D143-A147 VanDerWaalsContact O-CB 3.3Å; D143-A147 WeakPolarHBondContact O-CB 3.31Å; D143-A147 PolarHBondContact O-N 3.12Å; I145-A147 VanDerWaalsContact C-N 3.31Å; I145-A147 PolarHBondContact O-N 3.08Å; A147-C149 PolarHBondContact O-N 2.77Å; A147-E150 CarbonylContact O-C 3.56Å; A147-E150 PolarHBondContact O-N 2.93Å; A147-E150 VanDerWaalsContact O-N 3.07Å; A147-T151 PolarHBondContact O-N 2.93Å; A147-S152 PolarHBondContact O-N 3.43Å
148	I	98.4	Very high	96.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.2	173.2	-59.7	165.5	0	0	0	111.2	I145 K146 E150 G153 R161 F167 I194 I196	I145-I148 HydrophobicContact CG2-CD1 4.42Å; I145-I148 VanDerWaalsContact O-CB 3.32Å; I145-I148 WeakPolarHBondContact O-CB 3.47Å; I145-I148 WeakPolarHBondContact O-CD1 3.11Å; I145-I148 WeakPolarHBondContact O-CG1 3.37Å; I145-I148 PolarHBondContact O-N 2.8Å; K146-I148 PolarHBondContact O-N 2.77Å; I148-E150 PolarHBondContact O-N 2.78Å; I148-G153 WeakPolarHBondContact O-CA 3.42Å; I148-G153 PolarHBondContact O-N 3.37Å; I148-R161 HydrophobicContact CG2-CB 4.19Å; I148-R161 PolarHBondContact O-NE 3.36Å; I148-R161 PolarHBondContact O-NH2 3.02Å; I148-R161 VanDerWaalsContact O-NH2 3.16Å; I148-F167 HydrophobicContact CD1-CE2 3.74Å; I148-F167 HydrophobicContact CD1-CZ 3.82Å; I148-F167 HydrophobicContact CG1-CE2 4.32Å; I148-F167 HydrophobicContact CG1-CZ 4.31Å; I148-I194 HydrophobicContact CD1-CD1 3.59Å; I148-I194 HydrophobicContact CD1-CG1 3.8Å; I148-I196 HydrophobicContact CB-CD1 3.65Å; I148-I196 HydrophobicContact CB-CG1 4.49Å; I148-I196 HydrophobicContact CD1-CD1 3.98Å; I148-I196 HydrophobicContact CG1-CD1 4.44Å; I148-I196 HydrophobicContact CG2-CD1 3.52Å; I148-I196 HydrophobicContact CG2-CG1 3.83Å
149	C	97.7	Very high	96.4	Very high	16 Å²	16	66.2 Å²	66.2	11%	0.108	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.5	-179.9	-63.4	0	0	0	0	113.8	K146 A147 R161 C198 G201	K146-C149 VanDerWaalsContact O-CB 3.29Å; K146-C149 WeakPolarHBondContact O-CB 3.43Å; K146-C149 PolarHBondContact O-N 2.79Å; A147-C149 PolarHBondContact O-N 2.77Å; C149-R161 PolarHBondContact O-NE 2.61Å; C149-C198 WeakPolarHBondContact CA-SG 3.35Å; C149-C198 HydrophobicContact CB-CB 3.63Å; C149-C198 WeakPolarHBondContact CB-SG 3.36Å; C149-C198 WeakPolarHBondContact SG-CB 3.49Å; C149-C198 CovalentContact SG-SG 2.04Å; C149-C198 PolarHBondContact SG-SG 2.82Å; C149-G201 WeakPolarHBondContact CB-O 3.43Å
150	E	93.6	Very high	96.3	Very high	116 Å²	116	67.1 Å²	67.1	54%	0.542	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-77.1	-173.3	-63.3	175.2	-176.3	0	0	110.7	A147 I148 R161	A147-E150 CarbonylContact O-C 3.56Å; A147-E150 PolarHBondContact O-N 2.93Å; A147-E150 VanDerWaalsContact O-N 3.07Å; I148-E150 PolarHBondContact O-N 2.78Å; E150-R161 PolarHBondContact O-NH2 3.41Å; E150-R161 VanDerWaalsContact O-NH2 3.14Å
151	T	95.9	Very high	96.6	Very high	113 Å²	113	68 Å²	68	69%	0.693	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-27.7	-166.4	58	0	0	0	0	114.5	A147	A147-T151 PolarHBondContact O-N 2.93Å
152	S	96.9	Very high	96.6	Very high	37 Å²	37	67.8 Å²	67.8	26%	0.259	37%	0.366	S	S	.	.	S	Bend	trans	-111.1	27.6	-169.1	-56.9	0	0	0	0	113	A147 T164	A147-S152 PolarHBondContact O-N 3.43Å; S152-T164 PolarHBondContact O-N 3.22Å; S152-T164 PolarHBondContact O-OG1 2.78Å; S152-T164 VanDerWaalsContact O-OG1 3.11Å
153	G	97.5	Very high	96.7	Very high	10 Å²	10	63.9 Å²	63.9	10%	0.103	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.4	175.8	0	0	0	0	0	111.8	I148 R161 K162	I148-G153 WeakPolarHBondContact O-CA 3.42Å; I148-G153 PolarHBondContact O-N 3.37Å; G153-R161 PolarHBondContact O-NH2 2.93Å; G153-K162 CarbonylContact C-O 3.49Å; G153-K162 WeakPolarHBondContact CA-O 3.42Å
154	T	98	Very high	96.8	Very high	68 Å²	68	62.4 Å²	62.4	42%	0.417	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.5	172.4	58.4	0	0	0	0	109.7	Y156 R161 K162 T164	T154-Y156 PolarHBondContact O-N 3.28Å; T154-R161 WeakPolarHBondContact O-CA 3.33Å; T154-K162 PolarHBondContact N-O 2.99Å; T154-K162 PolarHBondContact O-N 2.94Å; T154-T164 HydrophobicContact CG2-CG2 3.87Å
155	P	97.4	Very high	96.8	Very high	110 Å²	110	60.6 Å²	60.6	71%	0.714	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.8	139.9	169.3	-25.6	34.7	0	0	0	111.5
156	Y	96.9	Very high	96.8	Very high	85 Å²	85	64.3 Å²	64.3	33%	0.333	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	169	176.4	-163.6	-108	0	0	0	109.1	T154 L160 K162 V195	T154-Y156 PolarHBondContact O-N 3.28Å; Y156-L160 WeakPolarHBondContact CA-O 3.46Å; Y156-L160 WeakPolarHBondContact CB-O 3.43Å; Y156-L160 HydrophobicContact CD1-CB 4.25Å; Y156-L160 PolarHBondContact N-O 3.26Å; Y156-K162 HydrophobicContact CD2-CB 4Å; Y156-K162 HydrophobicContact CD2-CD 4.15Å; Y156-K162 HydrophobicContact CE2-CD 4.21Å; Y156-K162 HydrophobicContact CG-CB 4.19Å; Y156-V195 HydrophobicContact CD1-CG1 3.53Å; Y156-V195 HydrophobicContact CD1-CG2 4.17Å; Y156-V195 HydrophobicContact CE1-CG1 3.98Å; Y156-V195 HydrophobicContact CE1-CG2 4.11Å; Y156-V195 HydrophobicContact CG-CG1 4.25Å
157	T	93.4	Very high	96.8	Very high	87 Å²	87	63.3 Å²	63.3	53%	0.534	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-54.3	151	-177.2	55.2	0	0	0	0	112.1	N159 L160	T157-N159 PolarHBondContact O-N 3.47Å; T157-L160 WeakPolarHBondContact O-CB 3.46Å; T157-L160 WeakPolarHBondContact O-CG 3.47Å; T157-L160 PolarHBondContact O-N 3.22Å
158	N	92.6	Very high	96.9	Very high	146 Å²	146	66.4 Å²	66.4	78%	0.781	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	58.1	38.9	176.7	-56	-31.5	0	0	0	114.7	L160	N158-L160 PolarHBondContact O-N 2.81Å; N158-L160 VanDerWaalsContact O-N 3.16Å
159	N	91.8	Very high	96.9	Very high	159 Å²	159	66.4 Å²	66.4	85%	0.85	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	59.5	22.6	-179.3	-56.6	-37.9	0	0	0	114.2	T157	T157-N159 PolarHBondContact O-N 3.47Å
160	L	97.9	Very high	96.9	Very high	23 Å²	23	65.7 Å²	65.7	12%	0.12	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	168.3	172	-57.9	177.9	0	0	0	110.2	Y156 T157 N158 V195 I196 A197 D207	Y156-L160 WeakPolarHBondContact CA-O 3.46Å; Y156-L160 WeakPolarHBondContact CB-O 3.43Å; Y156-L160 HydrophobicContact CD1-CB 4.25Å; Y156-L160 PolarHBondContact N-O 3.26Å; T157-L160 WeakPolarHBondContact O-CB 3.46Å; T157-L160 WeakPolarHBondContact O-CG 3.47Å; T157-L160 PolarHBondContact O-N 3.22Å; N158-L160 PolarHBondContact O-N 2.81Å; N158-L160 VanDerWaalsContact O-N 3.16Å; L160-V195 HydrophobicContact CB-CG1 3.67Å; L160-V195 HydrophobicContact CD1-CG1 3.72Å; L160-V195 HydrophobicContact CG-CG1 4.29Å; L160-I196 CarbonylContact C-O 3.51Å; L160-I196 WeakPolarHBondContact CA-O 3.5Å; L160-A197 HydrophobicContact CD2-CB 3.66Å; L160-D207 HydrophobicContact CD1-CB 4.15Å
161	R	98.3	Very high	97.1	Very high	53 Å²	53	60.7 Å²	60.7	20%	0.2	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130	175.1	-63.4	-175.7	62.2	89.1	-6.3	109.4	I148 C149 E150 G153 T154 V195 I196	I148-R161 HydrophobicContact CG2-CB 4.19Å; I148-R161 PolarHBondContact O-NE 3.36Å; I148-R161 PolarHBondContact O-NH2 3.02Å; I148-R161 VanDerWaalsContact O-NH2 3.16Å; C149-R161 PolarHBondContact O-NE 2.61Å; E150-R161 PolarHBondContact O-NH2 3.41Å; E150-R161 VanDerWaalsContact O-NH2 3.14Å; G153-R161 PolarHBondContact O-NH2 2.93Å; T154-R161 WeakPolarHBondContact O-CA 3.33Å; R161-V195 CarbonylContact O-C 3.54Å; R161-V195 WeakPolarHBondContact O-CA 3.27Å; R161-I196 PolarHBondContact N-O 2.78Å; R161-I196 PolarHBondContact O-N 2.84Å
162	K	98.4	Very high	97.3	Very high	62 Å²	62	55.3 Å²	55.3	27%	0.27	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.3	174.9	-176.9	177.5	176.9	-178.2	0	109	G153 T154 Y156 I194 V195	G153-K162 CarbonylContact C-O 3.49Å; G153-K162 WeakPolarHBondContact CA-O 3.42Å; T154-K162 PolarHBondContact N-O 2.99Å; T154-K162 PolarHBondContact O-N 2.94Å; Y156-K162 HydrophobicContact CD2-CB 4Å; Y156-K162 HydrophobicContact CD2-CD 4.15Å; Y156-K162 HydrophobicContact CE2-CD 4.21Å; Y156-K162 HydrophobicContact CG-CB 4.19Å; K162-I194 WeakPolarHBondContact CA-O 3.3Å; K162-V195 HydrophobicContact CB-CG2 4.13Å; K162-V195 HydrophobicContact CG-CG2 4.07Å
163	S	98.5	Very high	97.3	Very high	3 Å²	3	59 Å²	59	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	143.5	176.4	66.8	0	0	0	0	111.7	S165 Y193 I194	S163-S165 VanDerWaalsContact CB-O 3.31Å; S163-S165 WeakPolarHBondContact CB-O 3.38Å; S163-S165 PolarHBondContact OG-O 3.22Å; S163-Y193 WeakPolarHBondContact O-CD1 3.3Å; S163-I194 PolarHBondContact N-O 3.41Å; S163-I194 PolarHBondContact OG-N 3.28Å
164	T	98.3	Very high	97.3	Very high	74 Å²	74	59.3 Å²	59.3	45%	0.454	31%	0.308	S	S	.	.	S	Bend	trans	-82.2	-20.5	173.5	54.3	0	0	0	0	112.6	S152 T154 Y193	S152-T164 PolarHBondContact O-N 3.22Å; S152-T164 PolarHBondContact O-OG1 2.78Å; S152-T164 VanDerWaalsContact O-OG1 3.11Å; T154-T164 HydrophobicContact CG2-CG2 3.87Å; T164-Y193 WeakPolarHBondContact O-CE1 3.49Å
165	S	97.7	Very high	97.2	Very high	56 Å²	56	59.1 Å²	59.1	39%	0.392	31%	0.31	S	S	.	.	S	Bend	trans	-112.3	155.6	173.5	63.7	0	0	0	0	111.4	S163 Y193	S163-S165 VanDerWaalsContact CB-O 3.31Å; S163-S165 WeakPolarHBondContact CB-O 3.38Å; S163-S165 PolarHBondContact OG-O 3.22Å; S165-Y193 WeakPolarHBondContact O-CD1 3.43Å
166	Q	98.3	Very high	96.5	Very high	79 Å²	79	55.5 Å²	55.5	37%	0.369	29%	0.292	S	S	.	.			trans	-81.6	149.3	173.3	-65.2	-179.4	-33.1	0	0	110.7	F191 R192 Y193	Q166-F191 HydrophobicContact CB-CD1 3.77Å; Q166-F191 HydrophobicContact CB-CD2 4.42Å; Q166-F191 HydrophobicContact CB-CE1 3.47Å; Q166-F191 VanDerWaalsContact CB-CE1 3.47Å; Q166-F191 HydrophobicContact CB-CE2 4.15Å; Q166-F191 HydrophobicContact CB-CG 4.25Å; Q166-F191 HydrophobicContact CB-CZ 3.67Å; Q166-F191 HydrophobicContact CG-CD1 4.5Å; Q166-F191 HydrophobicContact CG-CE1 4.35Å; Q166-R192 WeakPolarHBondContact CA-O 3.48Å; Q166-Y193 HydrophobicContact CG-CD1 3.98Å; Q166-Y193 HydrophobicContact CG-CD2 4.09Å; Q166-Y193 HydrophobicContact CG-CE1 3.81Å; Q166-Y193 HydrophobicContact CG-CE2 3.92Å; Q166-Y193 HydrophobicContact CG-CG 4.13Å
167	F	98.4	Very high	96	Very high	11 Å²	11	55.9 Å²	55.9	5%	0.048	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.9	175.9	-73.1	-100.9	0	0	0	110.2	I138 N144 I145 I148 I169 F191 R192 I194	I138-F167 HydrophobicContact CG2-CB 3.93Å; I138-F167 HydrophobicContact CG2-CD1 3.63Å; I138-F167 HydrophobicContact CG2-CE1 4.46Å; I138-F167 HydrophobicContact CG2-CG 3.99Å; N144-F167 HydrophobicContact CB-CE1 4.01Å; N144-F167 HydrophobicContact CB-CZ 4.23Å; I145-F167 HydrophobicContact CG1-CD1 4.3Å; I145-F167 HydrophobicContact CG1-CE1 3.75Å; I145-F167 HydrophobicContact CG1-CZ 4.45Å; I148-F167 HydrophobicContact CD1-CE2 3.74Å; I148-F167 HydrophobicContact CD1-CZ 3.82Å; I148-F167 HydrophobicContact CG1-CE2 4.32Å; I148-F167 HydrophobicContact CG1-CZ 4.31Å; F167-I169 HydrophobicContact CB-CG2 4.23Å; F167-I169 PolarHBondContact O-N 3.4Å; F167-F191 VanDerWaalsContact C-CD2 3.47Å; F167-F191 VanDerWaalsContact O-CA 3.3Å; F167-F191 WeakPolarHBondContact O-CA 3.02Å; F167-R192 PolarHBondContact N-O 3.25Å; F167-R192 PolarHBondContact O-N 3.18Å; F167-I194 HydrophobicContact CB-CG2 4.33Å; F167-I194 HydrophobicContact CD2-CD1 4.03Å; F167-I194 HydrophobicContact CD2-CG1 4.03Å; F167-I194 HydrophobicContact CE2-CD1 4.29Å; F167-I194 HydrophobicContact CE2-CG1 4.36Å; F167-I194 HydrophobicContact CG-CD1 4.3Å
168	Q	98.4	Very high	95.9	Very high	87 Å²	87	54.5 Å²	54.5	41%	0.407	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.5	167.9	-165.2	-171.8	38	0	0	107.8	H139 F191	H139-Q168 HydrophobicContact CB-CB 4.23Å; H139-Q168 WeakPolarHBondContact CB-O 3.3Å; H139-Q168 PolarHBondContact CD2-O 2.88Å; H139-Q168 VanDerWaalsContact CD2-O 3.23Å; H139-Q168 PolarHBondContact N-O 3.27Å; Q168-F191 HydrophobicContact CB-CD2 4.14Å
169	I	98.5	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.9	-175.1	63.6	170.4	0	0	0	112	R113 T136 F137 I138 F167 I171 G190 R192 I194 F211	R113-I169 PolarHBondContact NH2-O 2.95Å; T136-I169 HydrophobicContact CG2-CB 3.87Å; T136-I169 HydrophobicContact CG2-CD1 4.08Å; T136-I169 HydrophobicContact CG2-CG1 4.48Å; T136-I169 HydrophobicContact CG2-CG2 4.22Å; F137-I169 CarbonylContact O-C 3.57Å; F137-I169 WeakPolarHBondContact O-CA 3.32Å; I138-I169 HydrophobicContact CG1-CG2 4.36Å; F167-I169 HydrophobicContact CB-CG2 4.23Å; F167-I169 PolarHBondContact O-N 3.4Å; I169-I171 HydrophobicContact CD1-CD1 4.19Å; I169-I171 HydrophobicContact CD1-CG1 4.15Å; I169-G190 PolarHBondContact N-O 2.93Å; I169-G190 PolarHBondContact O-N 2.78Å; I169-R192 HydrophobicContact CD1-CB 4.31Å; I169-R192 HydrophobicContact CD1-CG 4.39Å; I169-I194 HydrophobicContact CG2-CG2 4.12Å; I169-F211 HydrophobicContact CD1-CD1 3.82Å; I169-F211 HydrophobicContact CD1-CE1 3.59Å; I169-F211 HydrophobicContact CD1-CZ 4.28Å
170	T	98.6	Very high	96.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.2	167.6	-53.7	0	0	0	0	109	R113 Y117 F137 H139 A187	R113-T170 HydrophobicContact CB-CG2 4.26Å; R113-T170 WeakPolarHBondContact CG-OG1 3.39Å; R113-T170 PolarHBondContact NE-OG1 2.79Å; Y117-T170 HydrophobicContact CD1-CG2 3.88Å; Y117-T170 HydrophobicContact CE1-CG2 3.67Å; F137-T170 PolarHBondContact N-O 3.37Å; F137-T170 PolarHBondContact O-N 2.72Å; H139-T170 PolarHBondContact NE2-N 3.12Å; H139-T170 PolarHBondContact NE2-OG1 2.93Å; T170-A187 HydrophobicContact CG2-CB 4.27Å
171	I	98.5	Very high	95.9	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.1	177	-56.5	160.9	0	0	0	107.6	L134 T136 I169 A187 S188 F211	L134-I171 HydrophobicContact CD1-CG2 3.42Å; L134-I171 VanDerWaalsContact CD1-CG2 3.42Å; L134-I171 HydrophobicContact CG-CG2 4.27Å; T136-I171 HydrophobicContact CG2-CG1 4.08Å; I169-I171 HydrophobicContact CD1-CD1 4.19Å; I169-I171 HydrophobicContact CD1-CG1 4.15Å; I171-A187 CarbonylContact O-C 3.54Å; I171-A187 WeakPolarHBondContact O-CA 3.09Å; I171-S188 PolarHBondContact N-O 3.29Å; I171-S188 PolarHBondContact O-N 3.3Å; I171-F211 HydrophobicContact CD1-CB 3.85Å; I171-F211 HydrophobicContact CD1-CD1 4.41Å; I171-F211 HydrophobicContact CD1-CG 4.28Å; I171-F211 HydrophobicContact CG1-CB 4.35Å
172	C	98.4	Very high	95.7	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.1	174.4	-61	0	0	0	0	108.5	C118 M122 N135 Y185	C118-C172 WeakPolarHBondContact CA-SG 3.44Å; C118-C172 HydrophobicContact CB-CB 3.7Å; C118-C172 WeakPolarHBondContact CB-SG 3.48Å; C118-C172 WeakPolarHBondContact SG-CA 3.13Å; C118-C172 WeakPolarHBondContact SG-CB 3.01Å; C118-C172 CovalentContact SG-SG 2.04Å; C118-C172 PolarHBondContact SG-SG 3.43Å; M122-C172 HydrophobicContact CG-CB 4.17Å; M122-C172 HydrophobicContact SD-CB 4.19Å; N135-C172 PolarHBondContact N-O 2.04Å; N135-C172 WeakPolarHBondContact O-CB 3.17Å; N135-C172 PolarHBondContact O-N 2.83Å; C172-Y185 HydrophobicContact CB-CD1 4.19Å
173	R	97.7	Very high	95.7	Very high	115 Å²	115	55.9 Å²	55.9	43%	0.434	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.9	178.4	-173.8	178.6	-71.3	-97.3	6.7	109.6	L134 S175 Y185 R186	L134-R173 HydrophobicContact CD1-CB 3.86Å; L134-R173 HydrophobicContact CD1-CG 4.1Å; R173-S175 PolarHBondContact O-N 3.07Å; R173-Y185 CarbonylContact O-C 3.14Å; R173-Y185 VanDerWaalsContact O-CA 3.26Å; R173-Y185 WeakPolarHBondContact O-CA 3.37Å; R173-R186 PolarHBondContact N-O 3.08Å; R173-R186 PolarHBondContact O-N 3.41Å
174	H	97.7	Very high	95.7	Very high	16 Å²	16	63 Å²	63	7%	0.074	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	135.1	175.3	-175.8	-132.4	0	0	0	109.6	E133 G176 S178 R184 Y185	E133-H174 WeakPolarHBondContact O-CB 3.35Å; E133-H174 PolarHBondContact O-N 2.99Å; E133-H174 IonicContact OE1-ND1 3.64Å; E133-H174 PolarHBondContact OE1-ND1 2.78Å; E133-H174 IonicContact OE2-CG 3.3Å; E133-H174 IonicContact OE2-ND1 3.95Å; E133-H174 PolarHBondContact OE2-ND1 3.26Å; H174-G176 PolarHBondContact CE1-O 3.5Å; H174-G176 PolarHBondContact ND1-O 3.13Å; H174-G176 PolarHBondContact NE2-N 3.27Å; H174-S178 PolarHBondContact CE1-O 2.86Å; H174-R184 PolarHBondContact CD2-O 2.82Å; H174-Y185 HydrophobicContact CB-CD1 4.18Å; H174-Y185 HydrophobicContact CB-CE1 3.85Å
175	S	94.7	Very high	95.7	Very high	64 Å²	64	59.6 Å²	59.6	45%	0.448	34%	0.337	S	S	.	.			trans	-120.1	3.5	-175.6	73.9	0	0	0	0	113.3	R173 R184	R173-S175 PolarHBondContact O-N 3.07Å; S175-R184 PolarHBondContact N-O 3.32Å; S175-R184 PolarHBondContact OG-O 2.99Å
176	G	83.9	Confident	95.7	Very high	34 Å²	34	64.1 Å²	64.1	35%	0.351	35%	0.345	S	S	.	.			trans	-93.6	152.2	175.4	0	0	0	0	0	111.2	H174 S178	H174-G176 PolarHBondContact CE1-O 3.5Å; H174-G176 PolarHBondContact ND1-O 3.13Å; H174-G176 PolarHBondContact NE2-N 3.27Å; G176-S178 VanDerWaalsContact C-N 3.29Å
177	G	85.6	Confident	95.7	Very high	94 Å²	94	61.4 Å²	61.4	97%	0.969	34%	0.336	S	S	*	.	S	Bend	trans	-80.4	-7.2	172.2	0	0	0	0	0	114.3
178	S	92	Very high	95.7	Very high	58 Å²	58	64 Å²	64	41%	0.406	36%	0.356	S	S	.	.			trans	-108.9	130.4	-177.7	171.6	0	0	0	0	110.8	H174 G176 R180	H174-S178 PolarHBondContact CE1-O 2.86Å; G176-S178 VanDerWaalsContact C-N 3.29Å; S178-R180 PolarHBondContact O-N 2.92Å; S178-R180 PolarHBondContact OG-N 3.4Å; S178-R180 VanDerWaalsContact OG-N 3.12Å
179	P	93.6	Very high	95.6	Very high	72 Å²	72	67.2 Å²	67.2	47%	0.468	36%	0.364	S	S	.	.	S	Bend	trans	-73.5	-3	173.5	32	-36.1	0	0	0	112.9	P130 C131	P130-P179 CarbonylContact C-O 3.59Å; P130-P179 WeakPolarHBondContact CA-O 3.39Å; P130-P179 HydrophobicContact CB-CB 4.36Å; P130-P179 WeakPolarHBondContact CB-O 3.38Å; C131-P179 PolarHBondContact N-O 2.81Å; C131-P179 PolarHBondContact SG-O 3.08Å
180	R	94.8	Very high	95.5	Very high	197 Å²	197	67.8 Å²	67.8	74%	0.743	37%	0.37	S	S	*	.	S	Bend	trans	-95.2	148.3	179.5	-62.1	-172.6	178.9	115.7	-1.4	111.7	S178	S178-R180 PolarHBondContact O-N 2.92Å; S178-R180 PolarHBondContact OG-N 3.4Å; S178-R180 VanDerWaalsContact OG-N 3.12Å
181	P	93.8	Very high	95.5	Very high	79 Å²	79	73.7 Å²	73.7	51%	0.513	40%	0.396	S	S	.	.	S	Bend	trans	-52.4	153.2	171.2	-24.8	31.2	0	0	0	113.8	T128	T128-P181 VanDerWaalsContact O-CG 3.31Å; T128-P181 WeakPolarHBondContact O-CG 3.32Å
182	P	95	Very high	95.4	Very high	107 Å²	107	79.5 Å²	79.5	70%	0.695	42%	0.417	S	S	*	.	S	Bend	cis	-78.9	124.4	-0.4	30.4	-33.6	0	0	0	112.8
183	C	97.5	Very high	95.4	Very high	17 Å²	17	83.7 Å²	83.7	12%	0.115	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-74.7	135.2	179.2	-49.1	0	0	0	0	111.2	T128 C131 Y185	T128-C183 VanDerWaalsContact CB-SG 3.5Å; T128-C183 HydrophobicContact CG2-CB 4.12Å; T128-C183 PolarHBondContact O-SG 3.43Å; T128-C183 VanDerWaalsContact O-SG 3.34Å; C131-C183 WeakPolarHBondContact CA-SG 3.05Å; C131-C183 HydrophobicContact CB-CB 3.83Å; C131-C183 WeakPolarHBondContact CB-SG 3.42Å; C131-C183 VanDerWaalsContact SG-CA 3.53Å; C131-C183 WeakPolarHBondContact SG-CB 3.38Å; C131-C183 CovalentContact SG-SG 2.03Å; C131-C183 PolarHBondContact SG-SG 3.01Å; C183-Y185 HydrophobicContact CB-CD2 4.25Å; C183-Y185 HydrophobicContact CB-CE2 3.41Å; C183-Y185 VanDerWaalsContact CB-CE2 3.41Å
184	R	97.6	Very high	95.4	Very high	152 Å²	152	78.2 Å²	78.2	57%	0.574	41%	0.413	S	S	*	.			trans	-116.2	134.8	173.7	-62.4	-62.4	-176	171.4	0.5	109.8	N119 H174 S175	N119-R184 WeakPolarHBondContact OD1-CA 3.5Å; H174-R184 PolarHBondContact CD2-O 2.82Å; S175-R184 PolarHBondContact N-O 3.32Å; S175-R184 PolarHBondContact OG-O 2.99Å
185	Y	98.3	Very high	95.4	Very high	3 Å²	3	77.5 Å²	77.5	1%	0.012	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.9	-175.9	-66.3	-85.3	0	0	0	111.6	N119 M122 L127 T128 K132 C172 R173 H174 C183	N119-Y185 PolarHBondContact OD1-N 2.78Å; M122-Y185 HydrophobicContact CB-CD2 4.1Å; M122-Y185 HydrophobicContact CB-CE2 3.66Å; M122-Y185 HydrophobicContact CE-CD1 4.39Å; M122-Y185 HydrophobicContact CE-CE1 3.59Å; M122-Y185 HydrophobicContact CE-CE2 4.36Å; M122-Y185 WeakPolarHBondContact CE-OH 3.36Å; M122-Y185 HydrophobicContact CG-CD1 4.3Å; M122-Y185 HydrophobicContact CG-CD2 3.96Å; M122-Y185 HydrophobicContact CG-CE1 4.2Å; M122-Y185 HydrophobicContact CG-CE2 3.8Å; M122-Y185 HydrophobicContact CG-CG 4.2Å; L127-Y185 PolarHBondContact O-OH 2.96Å; T128-Y185 HydrophobicContact CG2-CE2 4.27Å; K132-Y185 PolarHBondContact N-OH 3.07Å; K132-Y185 VanDerWaalsContact O-CE1 3.27Å; K132-Y185 WeakPolarHBondContact O-CE1 3.37Å; K132-Y185 PolarHBondContact O-OH 3.12Å; C172-Y185 HydrophobicContact CB-CD1 4.19Å; R173-Y185 CarbonylContact O-C 3.14Å; R173-Y185 VanDerWaalsContact O-CA 3.26Å; R173-Y185 WeakPolarHBondContact O-CA 3.37Å; H174-Y185 HydrophobicContact CB-CD1 4.18Å; H174-Y185 HydrophobicContact CB-CE1 3.85Å; C183-Y185 HydrophobicContact CB-CD2 4.25Å; C183-Y185 HydrophobicContact CB-CE2 3.41Å; C183-Y185 VanDerWaalsContact CB-CE2 3.41Å
186	R	98.3	Very high	95.6	Very high	151 Å²	151	74.4 Å²	74.4	57%	0.57	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.7	164.7	-65.3	-59.2	-173	173.5	4	109.8	D115 R173	D115-R186 WeakPolarHBondContact OD1-CA 3.28Å; D115-R186 WeakPolarHBondContact OD2-CD 3.3Å; D115-R186 IonicContact OD2-CZ 3.36Å; D115-R186 IonicContact OD2-NE 2.78Å; D115-R186 IonicContact OD2-NH1 3.75Å; D115-R186 PolarHBondContact OD2-NH1 2.86Å; R173-R186 PolarHBondContact N-O 3.08Å; R173-R186 PolarHBondContact O-N 3.41Å
187	A	98.4	Very high	96.3	Very high	22 Å²	22	73.8 Å²	73.8	18%	0.182	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.1	176.8	0	0	0	0	0	111.1	D114 D115 C118 T170 I171	D114-A187 WeakPolarHBondContact O-CB 3.46Å; D115-A187 PolarHBondContact OD1-N 2.69Å; C118-A187 HydrophobicContact CB-CB 4.44Å; C118-A187 VanDerWaalsContact SG-CB 3.59Å; T170-A187 HydrophobicContact CG2-CB 4.27Å; I171-A187 CarbonylContact O-C 3.54Å; I171-A187 WeakPolarHBondContact O-CA 3.09Å
188	S	98	Very high	96.9	Very high	65 Å²	65	71.1 Å²	71.1	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.4	168.4	-66.8	0	0	0	0	109.1	I171	I171-S188 PolarHBondContact N-O 3.29Å; I171-S188 PolarHBondContact O-N 3.3Å
189	R	97.8	Very high	97.1	Very high	155 Å²	155	71.7 Å²	71.7	59%	0.585	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.5	177.9	-60.8	179.1	-168.8	161.9	3.4	109.3	G112 R113	G112-R189 PolarHBondContact O-NH2 3.21Å; R113-R189 HydrophobicContact CB-CG 4.01Å; R113-R189 WeakPolarHBondContact O-CG 3.25Å; R113-R189 PolarHBondContact O-NE 2.91Å
190	G	96.1	Very high	97.1	Very high	11 Å²	11	74.9 Å²	74.9	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.4	174.7	0	0	0	0	0	112.8	R113 I169	R113-G190 PolarHBondContact NH2-O 2.96Å; I169-G190 PolarHBondContact N-O 2.93Å; I169-G190 PolarHBondContact O-N 2.78Å
191	F	97.5	Very high	97.1	Very high	125 Å²	125	66.4 Å²	66.4	55%	0.548	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	97.7	162.5	-170.5	-112.9	0	0	0	106.5	Q166 F167 Q168	Q166-F191 HydrophobicContact CB-CD1 3.77Å; Q166-F191 HydrophobicContact CB-CD2 4.42Å; Q166-F191 HydrophobicContact CB-CE1 3.47Å; Q166-F191 VanDerWaalsContact CB-CE1 3.47Å; Q166-F191 HydrophobicContact CB-CE2 4.15Å; Q166-F191 HydrophobicContact CB-CG 4.25Å; Q166-F191 HydrophobicContact CB-CZ 3.67Å; Q166-F191 HydrophobicContact CG-CD1 4.5Å; Q166-F191 HydrophobicContact CG-CE1 4.35Å; F167-F191 VanDerWaalsContact C-CD2 3.47Å; F167-F191 VanDerWaalsContact O-CA 3.3Å; F167-F191 WeakPolarHBondContact O-CA 3.02Å; Q168-F191 HydrophobicContact CB-CD2 4.14Å
192	R	96.6	Very high	97.2	Very high	132 Å²	132	62.9 Å²	62.9	50%	0.498	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.3	-167.8	-52.8	-167.1	-153.8	-94.3	7.5	110.9	Q166 F167 I169	Q166-R192 WeakPolarHBondContact CA-O 3.48Å; F167-R192 PolarHBondContact N-O 3.25Å; F167-R192 PolarHBondContact O-N 3.18Å; I169-R192 HydrophobicContact CD1-CB 4.31Å; I169-R192 HydrophobicContact CD1-CG 4.39Å
193	Y	98.2	Very high	97.4	Very high	89 Å²	89	57.8 Å²	57.8	35%	0.349	27%	0.272	S	S	.	.			trans	-63.3	154.7	166.1	-60.4	-74	0	0	0	110.3	S163 T164 S165 Q166 F210	S163-Y193 WeakPolarHBondContact O-CD1 3.3Å; T164-Y193 WeakPolarHBondContact O-CE1 3.49Å; S165-Y193 WeakPolarHBondContact O-CD1 3.43Å; Q166-Y193 HydrophobicContact CG-CD1 3.98Å; Q166-Y193 HydrophobicContact CG-CD2 4.09Å; Q166-Y193 HydrophobicContact CG-CE1 3.81Å; Q166-Y193 HydrophobicContact CG-CE2 3.92Å; Q166-Y193 HydrophobicContact CG-CG 4.13Å; Y193-F210 WeakPolarHBondContact O-CE1 3.41Å
194	I	98.4	Very high	97.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.273	C	S	.	.			trans	-124.2	154.3	175.3	67	173.5	0	0	0	109.9	I138 I148 K162 S163 F167 I169 I196 L206 F211	I138-I194 HydrophobicContact CD1-CD1 3.59Å; I138-I194 HydrophobicContact CG1-CD1 4.24Å; I138-I194 HydrophobicContact CG2-CD1 4.37Å; I148-I194 HydrophobicContact CD1-CD1 3.59Å; I148-I194 HydrophobicContact CD1-CG1 3.8Å; K162-I194 WeakPolarHBondContact CA-O 3.3Å; S163-I194 PolarHBondContact N-O 3.41Å; S163-I194 PolarHBondContact OG-N 3.28Å; F167-I194 HydrophobicContact CB-CG2 4.33Å; F167-I194 HydrophobicContact CD2-CD1 4.03Å; F167-I194 HydrophobicContact CD2-CG1 4.03Å; F167-I194 HydrophobicContact CE2-CD1 4.29Å; F167-I194 HydrophobicContact CE2-CG1 4.36Å; F167-I194 HydrophobicContact CG-CD1 4.3Å; I169-I194 HydrophobicContact CG2-CG2 4.12Å; I194-I196 HydrophobicContact CD1-CG2 4.24Å; I194-I196 HydrophobicContact CG1-CG2 4.48Å; I194-L206 HydrophobicContact CB-CD1 4.15Å; I194-F211 HydrophobicContact CB-CZ 4.34Å; I194-F211 HydrophobicContact CG2-CE1 4.45Å; I194-F211 HydrophobicContact CG2-CZ 3.94Å
195	V	98.4	Very high	97.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.1	178.7	177.9	0	0	0	0	108.3	Y156 L160 R161 K162 L206 D207 F210	Y156-V195 HydrophobicContact CD1-CG1 3.53Å; Y156-V195 HydrophobicContact CD1-CG2 4.17Å; Y156-V195 HydrophobicContact CE1-CG1 3.98Å; Y156-V195 HydrophobicContact CE1-CG2 4.11Å; Y156-V195 HydrophobicContact CG-CG1 4.25Å; L160-V195 HydrophobicContact CB-CG1 3.67Å; L160-V195 HydrophobicContact CD1-CG1 3.72Å; L160-V195 HydrophobicContact CG-CG1 4.29Å; R161-V195 CarbonylContact O-C 3.54Å; R161-V195 WeakPolarHBondContact O-CA 3.27Å; K162-V195 HydrophobicContact CB-CG2 4.13Å; K162-V195 HydrophobicContact CG-CG2 4.07Å; V195-L206 WeakPolarHBondContact O-CD1 3.27Å; V195-D207 HydrophobicContact CB-CB 4.1Å; V195-D207 HydrophobicContact CG1-CB 4.03Å; V195-D207 PolarHBondContact O-N 3.23Å; V195-F210 HydrophobicContact CG2-CD1 4.24Å; V195-F210 HydrophobicContact CG2-CD2 3.82Å; V195-F210 HydrophobicContact CG2-CE1 4.42Å; V195-F210 HydrophobicContact CG2-CE2 4.03Å; V195-F210 HydrophobicContact CG2-CG 3.94Å; V195-F210 HydrophobicContact CG2-CZ 4.33Å
196	I	98.6	Very high	97.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.4	-174	64.4	-180	0	0	0	111.8	F101 I148 L160 R161 I194 P203 H205 L206	F101-I196 HydrophobicContact CE2-CG2 4.14Å; F101-I196 HydrophobicContact CZ-CG2 4.26Å; I148-I196 HydrophobicContact CB-CD1 3.65Å; I148-I196 HydrophobicContact CB-CG1 4.49Å; I148-I196 HydrophobicContact CD1-CD1 3.98Å; I148-I196 HydrophobicContact CG1-CD1 4.44Å; I148-I196 HydrophobicContact CG2-CD1 3.52Å; I148-I196 HydrophobicContact CG2-CG1 3.83Å; L160-I196 CarbonylContact C-O 3.51Å; L160-I196 WeakPolarHBondContact CA-O 3.5Å; R161-I196 PolarHBondContact N-O 2.78Å; R161-I196 PolarHBondContact O-N 2.84Å; I194-I196 HydrophobicContact CD1-CG2 4.24Å; I194-I196 HydrophobicContact CG1-CG2 4.48Å; I196-P203 HydrophobicContact CD1-CB 3.88Å; I196-H205 CarbonylContact C-O 3.52Å; I196-H205 WeakPolarHBondContact CA-O 3.28Å; I196-H205 VanDerWaalsContact CB-O 3.26Å; I196-H205 WeakPolarHBondContact CB-O 3.49Å; I196-L206 HydrophobicContact CG2-CD1 3.78Å
197	A	98.2	Very high	97.3	Very high	21 Å²	21	49.5 Å²	49.5	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.4	162.3	0	0	0	0	0	109.7	L160 V204 H205	L160-A197 HydrophobicContact CD2-CB 3.66Å; A197-V204 HydrophobicContact CB-CG2 4.16Å; A197-V204 PolarHBondContact O-N 3.48Å; A197-H205 HydrophobicContact CB-CB 3.82Å; A197-H205 PolarHBondContact N-O 3.17Å
198	C	97.7	Very high	97.2	Very high	38 Å²	38	49.8 Å²	49.8	26%	0.257	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.2	-179.8	-64.2	0	0	0	0	111.1	C149 L202	C149-C198 WeakPolarHBondContact CA-SG 3.35Å; C149-C198 HydrophobicContact CB-CB 3.63Å; C149-C198 WeakPolarHBondContact CB-SG 3.36Å; C149-C198 WeakPolarHBondContact SG-CB 3.49Å; C149-C198 CovalentContact SG-SG 2.04Å; C149-C198 PolarHBondContact SG-SG 2.82Å; C198-L202 CarbonylContact C-O 3.46Å; C198-L202 VanDerWaalsContact CA-O 3.23Å; C198-L202 WeakPolarHBondContact CA-O 3.39Å
199	E	96	Very high	96.9	Very high	69 Å²	69	50.6 Å²	50.6	32%	0.322	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.2	171.7	-72.6	174.7	-167	0	0	108.1	R97 G201 L202 V204	R97-E199 WeakPolarHBondContact CD-OE2 3.29Å; R97-E199 IonicContact CZ-OE1 3.8Å; R97-E199 IonicContact CZ-OE2 3.64Å; R97-E199 IonicContact NH1-OE1 3.07Å; R97-E199 PolarHBondContact NH1-OE1 3.19Å; R97-E199 IonicContact NH1-OE2 2.72Å; R97-E199 PolarHBondContact NH1-OE2 2.83Å; E199-G201 PolarHBondContact O-N 3.41Å; E199-G201 VanDerWaalsContact O-N 3.16Å; E199-L202 PolarHBondContact N-O 3.28Å; E199-L202 PolarHBondContact O-N 3.28Å; E199-V204 HydrophobicContact CB-CG1 3.92Å; E199-V204 HydrophobicContact CB-CG2 4.25Å; E199-V204 HydrophobicContact CG-CG1 4.34Å; E199-V204 HydrophobicContact CG-CG2 3.83Å
200	N	93.9	Very high	96.6	Very high	140 Å²	140	45.9 Å²	45.9	75%	0.749	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	39.7	-179.5	-54.3	-41	0	0	0	114	L91 L202	L91-N200 WeakPolarHBondContact CD2-O 3.22Å; N200-L202 VanDerWaalsContact C-N 3.25Å; N200-L202 PolarHBondContact O-N 3.39Å
201	G	94.6	Very high	96.2	Very high	19 Å²	19	46 Å²	46	20%	0.196	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	3	-178.1	0	0	0	0	0	115.1	C149 E199	C149-G201 WeakPolarHBondContact CB-O 3.43Å; E199-G201 PolarHBondContact O-N 3.41Å; E199-G201 VanDerWaalsContact O-N 3.16Å
202	L	96.9	Very high	95.2	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.6	-179.3	-64.7	174.3	0	0	0	112.3	L91 S92 D95 Y98 K146 C198 E199 N200	L91-L202 HydrophobicContact CD2-CD1 4.38Å; L91-L202 HydrophobicContact CD2-CD2 3.83Å; L91-L202 HydrophobicContact CD2-CG 3.77Å; S92-L202 WeakPolarHBondContact O-CD1 3.26Å; D95-L202 HydrophobicContact CB-CD1 3.97Å; Y98-L202 HydrophobicContact CD1-CD1 4.23Å; Y98-L202 HydrophobicContact CD1-CD2 4.25Å; Y98-L202 HydrophobicContact CD2-CB 4.17Å; Y98-L202 HydrophobicContact CD2-CD2 4.3Å; Y98-L202 HydrophobicContact CE1-CD2 4.32Å; Y98-L202 HydrophobicContact CE2-CD2 4.38Å; Y98-L202 HydrophobicContact CG-CB 4.16Å; Y98-L202 HydrophobicContact CG-CD1 4.16Å; Y98-L202 HydrophobicContact CG-CD2 4.24Å; Y98-L202 HydrophobicContact CG-CG 4.43Å; K146-L202 HydrophobicContact CD-CD2 4.15Å; K146-L202 HydrophobicContact CG-CD2 4.29Å; C198-L202 CarbonylContact C-O 3.46Å; C198-L202 VanDerWaalsContact CA-O 3.23Å; C198-L202 WeakPolarHBondContact CA-O 3.39Å; E199-L202 PolarHBondContact N-O 3.28Å; E199-L202 PolarHBondContact O-N 3.28Å; N200-L202 VanDerWaalsContact C-N 3.25Å; N200-L202 PolarHBondContact O-N 3.39Å
203	P	97.9	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.6	176.7	32.7	-37.1	0	0	0	110.8	Y98 F101 I145 I196	Y98-P203 HydrophobicContact CD2-CG 3.7Å; Y98-P203 WeakPolarHBondContact CD2-O 3.39Å; Y98-P203 HydrophobicContact CE2-CG 3.6Å; F101-P203 WeakPolarHBondContact CB-O 3.42Å; F101-P203 HydrophobicContact CD1-CB 3.98Å; F101-P203 HydrophobicContact CD1-CG 3.78Å; F101-P203 HydrophobicContact CD2-CB 4.27Å; F101-P203 HydrophobicContact CE1-CB 3.75Å; F101-P203 HydrophobicContact CE1-CG 3.68Å; F101-P203 HydrophobicContact CE2-CB 4.02Å; F101-P203 HydrophobicContact CG-CB 4.25Å; F101-P203 HydrophobicContact CG-CG 4.43Å; F101-P203 WeakPolarHBondContact CG-O 3.36Å; F101-P203 HydrophobicContact CZ-CB 3.77Å; F101-P203 HydrophobicContact CZ-CG 4.21Å; I145-P203 HydrophobicContact CG2-CB 4.44Å; I145-P203 HydrophobicContact CG2-CG 4.15Å; I196-P203 HydrophobicContact CD1-CB 3.88Å
204	V	97.6	Very high	93.2	Very high	20 Å²	20	42.8 Å²	42.8	12%	0.121	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-15.6	-176.3	-64.6	0	0	0	0	113.8	R97 A197 E199	R97-V204 HydrophobicContact CB-CB 3.97Å; R97-V204 HydrophobicContact CB-CG1 3.72Å; A197-V204 HydrophobicContact CB-CG2 4.16Å; A197-V204 PolarHBondContact O-N 3.48Å; E199-V204 HydrophobicContact CB-CG1 3.92Å; E199-V204 HydrophobicContact CB-CG2 4.25Å; E199-V204 HydrophobicContact CG-CG1 4.34Å; E199-V204 HydrophobicContact CG-CG2 3.83Å
205	H	97.9	Very high	92.9	Very high	101 Å²	101	45 Å²	45	47%	0.468	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.2	179.7	-178.3	68.6	0	0	0	110.9	I196 A197	I196-H205 CarbonylContact C-O 3.52Å; I196-H205 WeakPolarHBondContact CA-O 3.28Å; I196-H205 VanDerWaalsContact CB-O 3.26Å; I196-H205 WeakPolarHBondContact CB-O 3.49Å; A197-H205 HydrophobicContact CB-CB 3.82Å; A197-H205 PolarHBondContact N-O 3.17Å
206	L	98.1	Very high	92.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.1	169.7	-179.6	66.9	0	0	0	108.6	F101 H105 T136 I138 I194 V195 I196 E208 F211	F101-L206 HydrophobicContact CE2-CB 3.98Å; H105-L206 HydrophobicContact CB-CD2 4.12Å; H105-L206 WeakPolarHBondContact ND1-CD2 3.27Å; T136-L206 HydrophobicContact CG2-CD2 4.23Å; I138-L206 HydrophobicContact CD1-CD1 4.14Å; I138-L206 HydrophobicContact CD1-CD2 4.24Å; I138-L206 HydrophobicContact CG1-CD2 4.5Å; I194-L206 HydrophobicContact CB-CD1 4.15Å; V195-L206 WeakPolarHBondContact O-CD1 3.27Å; I196-L206 HydrophobicContact CG2-CD1 3.78Å; L206-E208 PolarHBondContact O-N 3.04Å; L206-E208 VanDerWaalsContact O-N 3.12Å; L206-F211 HydrophobicContact CD1-CE2 4.18Å; L206-F211 HydrophobicContact CD1-CZ 4.44Å; L206-F211 HydrophobicContact CD2-CE2 4.1Å; L206-F211 HydrophobicContact CG-CE2 4.16Å
207	D	97.3	Very high	92.2	Very high	27 Å²	27	50.3 Å²	50.3	14%	0.144	30%	0.301	C	S	.	.			trans	-78.6	94.9	176.5	-179.7	11.2	0	0	0	110.8	L160 V195 S209 F210	L160-D207 HydrophobicContact CD1-CB 4.15Å; V195-D207 HydrophobicContact CB-CB 4.1Å; V195-D207 HydrophobicContact CG1-CB 4.03Å; V195-D207 PolarHBondContact O-N 3.23Å; D207-S209 PolarHBondContact O-N 3.13Å; D207-S209 VanDerWaalsContact OD1-CB 3.32Å; D207-S209 WeakPolarHBondContact OD1-CB 3.4Å; D207-S209 PolarHBondContact OD1-N 3.16Å; D207-S209 VanDerWaalsContact OD1-N 3.1Å; D207-S209 PolarHBondContact OD1-OG 2.88Å; D207-S209 PolarHBondContact OD2-OG 3.24Å; D207-F210 VanDerWaalsContact O-CB 3.32Å; D207-F210 WeakPolarHBondContact O-CB 3.05Å; D207-F210 PolarHBondContact O-N 3.21Å
208	E	95.2	Very high	91.9	Very high	28 Å²	28	52.1 Å²	52.1	13%	0.131	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-69.5	-19.3	-179.8	-63.9	-75.2	-173.3	0	0	113.1	H105 L134 N135 T136 L206 F210 F211 S212	H105-E208 IonicContact CE1-OE1 3.32Å; H105-E208 PolarHBondContact CE1-OE1 3.39Å; H105-E208 IonicContact ND1-OE1 3.42Å; H105-E208 PolarHBondContact ND1-OE1 3.05Å; L134-E208 HydrophobicContact CD2-CB 4.2Å; N135-E208 WeakPolarHBondContact CA-OE1 3.47Å; T136-E208 VanDerWaalsContact CB-OE2 3.23Å; T136-E208 WeakPolarHBondContact CB-OE2 3.05Å; T136-E208 PolarHBondContact N-OE1 3.36Å; T136-E208 PolarHBondContact N-OE2 3.5Å; T136-E208 PolarHBondContact OG1-OE2 3.42Å; L206-E208 PolarHBondContact O-N 3.04Å; L206-E208 VanDerWaalsContact O-N 3.12Å; E208-F210 PolarHBondContact O-N 3.3Å; E208-F211 PolarHBondContact O-N 3.34Å; E208-S212 PolarHBondContact O-OG 2.83Å; E208-S212 VanDerWaalsContact O-OG 3.12Å
209	S	92.8	Very high	91.5	Very high	82 Å²	82	53.1 Å²	53.1	57%	0.573	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-63.8	-28.3	177.5	77	0	0	0	0	111.2	D207 F211 S212	D207-S209 PolarHBondContact O-N 3.13Å; D207-S209 VanDerWaalsContact OD1-CB 3.32Å; D207-S209 WeakPolarHBondContact OD1-CB 3.4Å; D207-S209 PolarHBondContact OD1-N 3.16Å; D207-S209 VanDerWaalsContact OD1-N 3.1Å; D207-S209 PolarHBondContact OD1-OG 2.88Å; D207-S209 PolarHBondContact OD2-OG 3.24Å; S209-F211 PolarHBondContact O-N 2.03Å; S209-F211 VanDerWaalsContact O-N 3.12Å; S209-S212 WeakPolarHBondContact O-CB 3.44Å; S209-S212 PolarHBondContact O-N 3.46Å; S209-S212 VanDerWaalsContact O-N 3.08Å
210	F	90.6	Very high	91.1	Very high	57 Å²	57	51.9 Å²	51.9	25%	0.25	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.3	175.1	-164.1	-106.2	0	0	0	113.6	Y193 V195 D207 E208	Y193-F210 WeakPolarHBondContact O-CE1 3.41Å; V195-F210 HydrophobicContact CG2-CD1 4.24Å; V195-F210 HydrophobicContact CG2-CD2 3.82Å; V195-F210 HydrophobicContact CG2-CE1 4.42Å; V195-F210 HydrophobicContact CG2-CE2 4.03Å; V195-F210 HydrophobicContact CG2-CG 3.94Å; V195-F210 HydrophobicContact CG2-CZ 4.33Å; D207-F210 VanDerWaalsContact O-CB 3.32Å; D207-F210 WeakPolarHBondContact O-CB 3.05Å; D207-F210 PolarHBondContact O-N 3.21Å; E208-F210 PolarHBondContact O-N 3.3Å
211	F	88.9	Confident	90.9	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.053	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-107.7	3.3	179	-49.3	-63.4	0	0	0	113.8	T136 I169 I171 I194 L206 E208 S209 S213	T136-F211 HydrophobicContact CG2-CD2 4.19Å; T136-F211 HydrophobicContact CG2-CE2 3.96Å; T136-F211 HydrophobicContact CG2-CZ 4.27Å; T136-F211 WeakPolarHBondContact OG1-CD2 3.37Å; I169-F211 HydrophobicContact CD1-CD1 3.82Å; I169-F211 HydrophobicContact CD1-CE1 3.59Å; I169-F211 HydrophobicContact CD1-CZ 4.28Å; I171-F211 HydrophobicContact CD1-CB 3.85Å; I171-F211 HydrophobicContact CD1-CD1 4.41Å; I171-F211 HydrophobicContact CD1-CG 4.28Å; I171-F211 HydrophobicContact CG1-CB 4.35Å; I194-F211 HydrophobicContact CB-CZ 4.34Å; I194-F211 HydrophobicContact CG2-CE1 4.45Å; I194-F211 HydrophobicContact CG2-CZ 3.94Å; L206-F211 HydrophobicContact CD1-CE2 4.18Å; L206-F211 HydrophobicContact CD1-CZ 4.44Å; L206-F211 HydrophobicContact CD2-CE2 4.1Å; L206-F211 HydrophobicContact CG-CE2 4.16Å; E208-F211 PolarHBondContact O-N 3.34Å; S209-F211 PolarHBondContact O-N 2.03Å; S209-F211 VanDerWaalsContact O-N 3.12Å; F211-S213 VanDerWaalsContact C-N 3.31Å; F211-S213 PolarHBondContact O-N 3.12Å
212	S	76.4	Confident	90.6	Very high	62 Å²	62	47.3 Å²	47.3	43%	0.434	29%	0.285	S	S	.	.			trans	-86.9	2.1	-172.6	-64.8	0	0	0	0	114.3	L134 E208 S209	L134-S212 WeakPolarHBondContact CD2-OG 3.31Å; E208-S212 PolarHBondContact O-OG 2.83Å; E208-S212 VanDerWaalsContact O-OG 3.12Å; S209-S212 WeakPolarHBondContact O-CB 3.44Å; S209-S212 PolarHBondContact O-N 3.46Å; S209-S212 VanDerWaalsContact O-N 3.08Å
213	S	57.9	Low	90	Very high	174 Å²	174	51.3 Å²	51.3	100%	1.217	31%	0.309	S	S	*	.			trans	-86.6	0	178.5	49.3	0	0	0	0	114.1	F211	F211-S213 VanDerWaalsContact C-N 3.31Å; F211-S213 PolarHBondContact O-N 3.12Å

Retrieved 213 of 213 residues in 239.8 ms (Link to these results)

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