A0A060W893_ONCMY Loading...

Persulfide dioxygenase ETHE1, mitochondrial

AlphaFold DB , UniProt , Accession A0A060W893, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110516644, Length 289 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	35.1	Very low	241 Å²	241	156.9 Å²	156.9	100%	1.187	85%	0.853	S	S	*	*				0	128.1	0	-81.6	-175.5	167.6	0	0	108.4
2	C	31.9	Very low	34.9	Very low	127 Å²	127	156.4 Å²	156.4	86%	0.858	85%	0.848	S	S	*	*			trans	46.9	108.9	169.8	-77	0	0	0	0	118.7
3	S	28.3	Very low	34.8	Very low	100 Å²	100	151.5 Å²	151.5	70%	0.699	84%	0.842	S	S	*	*				51.8	103	54.7	-178.5	0	0	0	0	114.4
4	I	38.6	Very low	34.4	Very low	161 Å²	161	155.9 Å²	155.9	83%	0.826	84%	0.841	S	S	*	*			trans	-143.8	116.2	133	-62.3	-170	0	0	0	108.5
5	V	35.9	Very low	34.2	Very low	109 Å²	109	154.2 Å²	154.2	66%	0.661	84%	0.839	S	S	*	*			trans	-94	126.3	173.3	172.3	0	0	0	0	107.5	R7	V5-R7 HydrophobicContact CG1-CG 4.1Å
6	N	36.3	Very low	33.9	Very low	158 Å²	158	154.1 Å²	154.1	85%	0.845	84%	0.836	S	S	*	*			trans	-106.3	110.5	164.8	-99.8	-13.9	0	0	0	110
7	R	33.8	Very low	33.7	Very low	228 Å²	228	158.8 Å²	158.8	86%	0.86	84%	0.839	S	S	*	*			trans	-85.5	126.3	171	-70.8	179.6	175.9	-165.1	-1.6	109	V5	V5-R7 HydrophobicContact CG1-CG 4.1Å
8	L	35.9	Very low	33.5	Very low	179 Å²	179	158.9 Å²	158.9	94%	0.937	84%	0.839	S	S	*	*			trans	-117	131.2	158.9	-87.2	158.6	0	0	0	108.7
9	K	37.9	Very low	33.4	Very low	195 Å²	195	159.8 Å²	159.8	85%	0.848	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-79.4	152.2	-169.5	-68.5	174.5	177.1	176.2	0	111.9
10	P	35	Very low	33.3	Very low	125 Å²	125	159.1 Å²	159.1	81%	0.812	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-78.6	142.3	175.9	31.5	-32.7	0	0	0	112.3
11	A	37.9	Very low	33.3	Very low	103 Å²	103	157.6 Å²	157.6	85%	0.851	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-76.9	141	175	0	0	0	0	0	111.5
12	L	32.8	Very low	33.2	Very low	151 Å²	151	149.7 Å²	149.7	79%	0.791	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.6	136.1	-174.9	-83.5	92.8	0	0	0	113.5
13	A	32.9	Very low	33.2	Very low	93 Å²	93	152.1 Å²	152.1	77%	0.769	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-72.1	124.1	163	0	0	0	0	0	110.6
14	Y	29.1	Very low	33.3	Very low	212 Å²	212	155.9 Å²	155.9	83%	0.831	83%	0.828	S	S	*	*			trans	-92.3	100.9	166.7	-91.1	-94	0	0	0	109.4	L16	Y14-L16 PolarHBondContact O-N 3.48Å
15	T	31.6	Very low	32.9	Very low	131 Å²	131	159.1 Å²	159.1	80%	0.804	83%	0.83	S	S	*	*			trans	-78.3	109.1	164	26.1	0	0	0	0	109.9	R17	T15-R17 PolarHBondContact O-N 3.38Å
16	L	29.8	Very low	32.6	Very low	152 Å²	152	164.1 Å²	164.1	80%	0.796	84%	0.842	S	S	*	*			trans	-75.8	106.9	163.9	-110.1	90.6	0	0	0	109.2	Y14	Y14-L16 PolarHBondContact O-N 3.48Å
17	R	30.1	Very low	32.5	Very low	234 Å²	234	162.7 Å²	162.7	88%	0.883	84%	0.839	S	S	*	*			trans	-85.7	113.1	160.7	-83	-177.2	179	-163.7	-0.4	108.2	T15 Q19	T15-R17 PolarHBondContact O-N 3.38Å; R17-Q19 PolarHBondContact O-N 2.91Å
18	L	31.1	Very low	32.5	Very low	162 Å²	162	157.4 Å²	157.4	85%	0.848	83%	0.834	S	S	*	*			trans	-83.9	109.8	165	-81.5	161.1	0	0	0	108.5
19	Q	30	Very low	32.3	Very low	176 Å²	176	153.4 Å²	153.4	82%	0.822	83%	0.828	S	S	*	*			trans	-75.1	130.3	168.7	-75.4	175.4	-42.2	0	0	109.4	R17	R17-Q19 PolarHBondContact O-N 2.91Å
20	T	33.2	Very low	32.1	Very low	144 Å²	144	153.3 Å²	153.3	88%	0.883	83%	0.829	S	S	*	*			trans	-81.8	113.8	169.7	42.4	0	0	0	0	109.3
21	T	33.1	Very low	32	Very low	129 Å²	129	156.7 Å²	156.7	79%	0.791	84%	0.837	S	S	*	*			trans	-118.7	113.7	166.6	50.7	0	0	0	0	109.3
22	G	32.1	Very low	31.7	Very low	74 Å²	74	155.1 Å²	155.1	76%	0.763	83%	0.831	S	S	*	*			trans	-67.2	139.7	174.4	0	0	0	0	0	112
23	H	31	Very low	31.8	Very low	178 Å²	178	154.3 Å²	154.3	82%	0.824	84%	0.835	S	S	*	*			trans	-135.2	103.8	164.2	-120.8	49.8	0	0	0	109.4	R25	H23-R25 PolarHBondContact O-N 3.48Å
24	L	30.2	Very low	31.9	Very low	180 Å²	180	153.3 Å²	153.3	94%	0.942	83%	0.833	S	S	*	*			trans	-72	113.6	168.8	-76.7	155.5	0	0	0	108.4
25	R	30.7	Very low	32	Very low	228 Å²	228	151.4 Å²	151.4	86%	0.86	84%	0.837	S	S	*	*			trans	-106.1	118.1	162.9	-84.5	-174.7	174.3	-175.4	-0.6	109.3	H23	H23-R25 PolarHBondContact O-N 3.48Å
26	K	30.1	Very low	32.2	Very low	214 Å²	214	157.2 Å²	157.2	93%	0.93	84%	0.844	S	S	*	*			trans	-66.9	137.4	170.7	-75.8	175.4	172	177.3	0	109.9
27	V	34.7	Very low	32.4	Very low	128 Å²	128	155.8 Å²	155.8	78%	0.776	84%	0.841	S	S	*	*			trans	-115.5	138.2	168.7	-177.4	0	0	0	0	107.6
28	P	32.6	Very low	32.8	Very low	117 Å²	117	149.7 Å²	149.7	76%	0.76	84%	0.835	S	S	*	*			trans	-78.1	147.1	-176.2	14.3	-2	0	0	0	112
29	A	32.8	Very low	33.1	Very low	96 Å²	96	151.2 Å²	151.2	79%	0.793	84%	0.835	S	S	*	*			trans	-79.7	125.6	175.8	0	0	0	0	0	111
30	H	32.7	Very low	33.3	Very low	192 Å²	192	151 Å²	151	89%	0.889	83%	0.834	S	S	*	*			trans	-128	121.5	156.9	-95.4	-56.9	0	0	0	109.7
31	M	33.6	Very low	33.4	Very low	197 Å²	197	149.8 Å²	149.8	97%	0.97	83%	0.828	S	S	*	*			trans	-76.4	134.3	174.1	-74.5	-110	-156.5	0	0	110.7
32	G	31	Very low	33.7	Very low	70 Å²	70	152 Å²	152	72%	0.722	83%	0.834	S	S	*	*			trans	-161.6	140	165.1	0	0	0	0	0	109.5
33	P	34.5	Very low	34	Very low	134 Å²	134	157.3 Å²	157.3	87%	0.87	84%	0.839	S	S	*	*			trans	-97.3	145	-154	34.7	-28.6	0	0	0	114.1
34	G	35.6	Very low	34.6	Very low	72 Å²	72	153.8 Å²	153.8	74%	0.742	83%	0.834	S	S	*	*			trans	81.1	88.9	141.5	0	0	0	0	0	117.9
35	L	32.1	Very low	35.2	Very low	172 Å²	172	151 Å²	151	90%	0.901	83%	0.825	S	S	*	*			trans	-130.7	119.9	148.3	-124.2	82.9	0	0	0	108.9	T37	L35-T37 PolarHBondContact O-N 3.46Å; L35-T37 VanDerWaalsContact O-N 3.16Å
36	R	36.1	Very low	35.9	Very low	253 Å²	253	147.6 Å²	147.6	96%	0.955	82%	0.822	S	S	*	*			trans	-60.2	112.8	173.7	-77.7	177.9	177.8	-146	-0.8	109	S38	R36-S38 PolarHBondContact O-N 2.63Å
37	T	33.7	Very low	36.5	Very low	121 Å²	121	142.4 Å²	142.4	74%	0.742	80%	0.803	S	S	*	*			trans	-82.6	104.9	167.3	56.1	0	0	0	0	108.7	L35 K39	L35-T37 PolarHBondContact O-N 3.46Å; L35-T37 VanDerWaalsContact O-N 3.16Å; T37-K39 PolarHBondContact O-N 3.08Å; T37-K39 VanDerWaalsContact O-N 3.14Å
38	S	37.8	Very low	37.2	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	80%	0.799	S	S	*	*			trans	-64.2	107.2	156	46.4	0	0	0	0	107.2	R36 Q40	R36-S38 PolarHBondContact O-N 2.63Å; S38-Q40 VanDerWaalsContact C-N 3.3Å; S38-Q40 PolarHBondContact O-N 3.36Å
39	K	38.1	Very low	38.2	Very low	193 Å²	193	143.2 Å²	143.2	84%	0.839	79%	0.788	S	S	*	*			trans	-68	94.7	165	-75.6	-177.3	176.2	-179.4	0	106.9	T37	T37-K39 PolarHBondContact O-N 3.08Å; T37-K39 VanDerWaalsContact O-N 3.14Å
40	Q	34.6	Very low	39.4	Very low	172 Å²	172	140.2 Å²	140.2	80%	0.804	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-65.6	129.7	158.8	-75.2	-173.5	-44	0	0	107.1	S38 L42	S38-Q40 VanDerWaalsContact C-N 3.3Å; S38-Q40 PolarHBondContact O-N 3.36Å; Q40-L42 PolarHBondContact O-N 3.09Å
41	P	35.3	Very low	40.5	Very low	118 Å²	118	134.4 Å²	134.4	77%	0.766	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-62.9	134.2	175.1	21.2	-22.4	0	0	0	108.2	E43	P41-E43 PolarHBondContact O-N 3.26Å
42	L	38.1	Very low	41.5	Very low	176 Å²	176	126.3 Å²	126.3	92%	0.921	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-46.8	116.2	168.1	-90.7	127.7	0	0	0	108	Q40 S44	Q40-L42 PolarHBondContact O-N 3.09Å; L42-S44 PolarHBondContact O-N 3.24Å
43	E	38.4	Very low	42.8	Very low	185 Å²	185	126.5 Å²	126.5	86%	0.864	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-48.8	130.7	171.7	-73	-177.1	153.7	0	0	108.3	P41 V45	P41-E43 PolarHBondContact O-N 3.26Å; E43-V45 PolarHBondContact O-N 2.96Å
44	S	43	Very low	43.9	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	65%	0.654	S	S	*	*			trans	-44.5	128.7	-179.2	50	0	0	0	0	110.2	L42 I46	L42-S44 PolarHBondContact O-N 3.24Å; S44-I46 PolarHBondContact O-N 2.92Å
45	V	43.2	Very low	44.9	Very low	123 Å²	123	127.7 Å²	127.7	75%	0.745	66%	0.655	S	S	*	*			trans	-38.3	121	159.7	176.4	0	0	0	0	107.2	E43 I47	E43-V45 PolarHBondContact O-N 2.96Å; V45-I47 HydrophobicContact CB-CG1 4.46Å; V45-I47 HydrophobicContact CG1-CG1 4.18Å; V45-I47 PolarHBondContact O-N 3.24Å
46	I	45.1	Very low	46.1	Very low	155 Å²	155	125.2 Å²	125.2	80%	0.795	64%	0.642	S	S	*	*			trans	-66.8	81.4	172.3	-58.6	174.9	0	0	0	105.6	S44 R48	S44-I46 PolarHBondContact O-N 2.92Å; I46-R48 PolarHBondContact O-N 3.16Å; I46-R48 VanDerWaalsContact O-N 3.12Å
47	I	44	Very low	47.3	Very low	105 Å²	105	115 Å²	115	54%	0.538	62%	0.616	S	S	.	*			trans	-63.1	117.1	168.3	-59.6	173.8	0	0	0	103.6	V45 P49 A52	V45-I47 HydrophobicContact CB-CG1 4.46Å; V45-I47 HydrophobicContact CG1-CG1 4.18Å; V45-I47 PolarHBondContact O-N 3.24Å; I47-P49 VanDerWaalsContact O-CD 3.31Å; I47-P49 WeakPolarHBondContact O-CD 2.83Å; I47-A52 HydrophobicContact CG2-CB 3.83Å
48	R	49.9	Very low	49.3	Very low	181 Å²	181	116.1 Å²	116.1	68%	0.683	61%	0.61	S	S	*	*			trans	-51.6	115.9	173.7	-69.8	-176	178.2	-155.3	-0.7	106.3	I46 Y50 C51	I46-R48 PolarHBondContact O-N 3.16Å; I46-R48 VanDerWaalsContact O-N 3.12Å; R48-Y50 PolarHBondContact O-N 3.17Å; R48-C51 PolarHBondContact O-N 3.31Å
49	P	53.3	Low	51.5	Low	82 Å²	82	111.4 Å²	111.4	53%	0.532	58%	0.578	S	S	.	*	H	α-helix	trans	-59.7	-21.5	-165.2	18.3	-30.3	0	0	0	112.3	I47 R53	I47-P49 VanDerWaalsContact O-CD 3.31Å; I47-P49 WeakPolarHBondContact O-CD 2.83Å; P49-R53 WeakPolarHBondContact O-CB 3.43Å; P49-R53 WeakPolarHBondContact O-CG 3.44Å; P49-R53 PolarHBondContact O-N 3.42Å; P49-R53 VanDerWaalsContact O-N 3.1Å
50	Y	56.8	Low	54.1	Low	33 Å²	33	102.4 Å²	102.4	13%	0.129	54%	0.54	C	S	.	.	H	α-helix	trans	-62.9	-48.1	173.6	-173.5	-100.7	0	0	0	114.2	R48 A52 R53 M54 P60 F62 M186 L227	R48-Y50 PolarHBondContact O-N 3.17Å; Y50-A52 PolarHBondContact O-N 3.48Å; Y50-R53 PolarHBondContact O-N 3.06Å; Y50-R53 VanDerWaalsContact O-N 3.13Å; Y50-M54 HydrophobicContact CD1-CG 4.35Å; Y50-M54 HydrophobicContact CE1-CG 3.67Å; Y50-M54 HydrophobicContact CE1-SD 4.25Å; Y50-M54 HydrophobicContact CE2-CG 4.34Å; Y50-M54 PolarHBondContact O-N 3.3Å; Y50-M54 WeakPolarHBondContact OH-CG 3.43Å; Y50-M54 PolarHBondContact OH-SD 3.15Å; Y50-P60 PolarHBondContact OH-O 3.25Å; Y50-F62 HydrophobicContact CE1-CB 4.14Å; Y50-F62 AromaticContact CE1-CD1 3.98Å; Y50-F62 HydrophobicContact CE1-CD1 3.98Å; Y50-F62 HydrophobicContact CE1-CG 4.43Å; Y50-F62 WeakPolarHBondContact OH-CB 3.27Å; Y50-M186 HydrophobicContact CD2-CG 4.44Å; Y50-M186 HydrophobicContact CD2-SD 3.93Å; Y50-M186 HydrophobicContact CE2-CE 4.21Å; Y50-M186 HydrophobicContact CE2-SD 3.45Å; Y50-M186 WeakPolarHBondContact CE2-SD 3.33Å; Y50-L227 HydrophobicContact CD2-CD1 4.43Å; Y50-L227 HydrophobicContact CG-CD1 4.15Å
51	C	56	Low	57.1	Low	70 Å²	70	95.2 Å²	95.2	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-64.2	-42.2	-178.9	-68.4	0	0	0	0	111.2	R48 R53 M54 E55	R48-C51 PolarHBondContact O-N 3.31Å; C51-R53 VanDerWaalsContact C-N 3.29Å; C51-R53 PolarHBondContact O-N 2.87Å; C51-M54 WeakPolarHBondContact O-CB 3.31Å; C51-M54 PolarHBondContact O-N 3.49Å; C51-E55 WeakPolarHBondContact O-CG 3.5Å; C51-E55 PolarHBondContact O-N 3.34Å
52	A	55.1	Low	60.1	Low	26 Å²	26	90.7 Å²	90.7	22%	0.215	47%	0.474	C	S	.	.	H	α-helix	trans	-63.2	-33.2	174.6	0	0	0	0	0	112.9	I47 Y50 E55 L56	I47-A52 HydrophobicContact CG2-CB 3.83Å; Y50-A52 PolarHBondContact O-N 3.48Å; A52-E55 PolarHBondContact O-N 3.06Å; A52-L56 WeakPolarHBondContact O-CB 3.42Å; A52-L56 VanDerWaalsContact O-CG 3.22Å; A52-L56 WeakPolarHBondContact O-CG 3.3Å; A52-L56 PolarHBondContact O-N 3.35Å
53	R	58.1	Low	62.9	Low	75 Å²	75	87 Å²	87	28%	0.283	45%	0.448	S	S	.	.	H	α-helix	trans	-76.8	-33.5	179.3	-74.4	-179.9	80.2	-156.8	2.8	113.3	P49 Y50 C51 L56 G57 K58 D183 S185	P49-R53 WeakPolarHBondContact O-CB 3.43Å; P49-R53 WeakPolarHBondContact O-CG 3.44Å; P49-R53 PolarHBondContact O-N 3.42Å; P49-R53 VanDerWaalsContact O-N 3.1Å; Y50-R53 PolarHBondContact O-N 3.06Å; Y50-R53 VanDerWaalsContact O-N 3.13Å; C51-R53 VanDerWaalsContact C-N 3.29Å; C51-R53 PolarHBondContact O-N 2.87Å; R53-L56 PolarHBondContact O-N 3.24Å; R53-G57 PolarHBondContact O-N 3.49Å; R53-K58 PolarHBondContact O-N 3.38Å; R53-K58 VanDerWaalsContact O-N 3.1Å; R53-D183 IonicContact CZ-OD2 2.69Å; R53-D183 IonicContact NH1-OD2 3.51Å; R53-D183 PolarHBondContact NH1-OD2 2.69Å; R53-D183 IonicContact NH2-OD2 3.94Å; R53-D183 PolarHBondContact NH2-OD2 3.08Å; R53-S185 PolarHBondContact NH1-OG 2.9Å
54	M	58.5	Low	65.8	Low	66 Å²	66	80.6 Å²	80.6	33%	0.325	42%	0.418	S	S	.	.	H	α-helix	trans	-60.6	-47	167.3	-79.3	-99.4	-61	0	0	110.6	Y50 C51 L56 G57 P60	Y50-M54 HydrophobicContact CD1-CG 4.35Å; Y50-M54 HydrophobicContact CE1-CG 3.67Å; Y50-M54 HydrophobicContact CE1-SD 4.25Å; Y50-M54 HydrophobicContact CE2-CG 4.34Å; Y50-M54 PolarHBondContact O-N 3.3Å; Y50-M54 WeakPolarHBondContact OH-CG 3.43Å; Y50-M54 PolarHBondContact OH-SD 3.15Å; C51-M54 WeakPolarHBondContact O-CB 3.31Å; C51-M54 PolarHBondContact O-N 3.49Å; M54-L56 PolarHBondContact O-N 3.18Å; M54-G57 PolarHBondContact O-N 3.1Å; M54-P60 VanDerWaalsContact SD-O 3.41Å
55	E	55	Low	68.5	Low	165 Å²	165	77 Å²	77	77%	0.771	39%	0.391	S	S	*	.	H	α-helix	trans	-60.8	-32.5	176.5	-74.4	176.5	168.7	0	0	112.7	C51 A52 G57	C51-E55 WeakPolarHBondContact O-CG 3.5Å; C51-E55 PolarHBondContact O-N 3.34Å; A52-E55 PolarHBondContact O-N 3.06Å; E55-G57 VanDerWaalsContact C-N 3.34Å
56	L	58.6	Low	71.1	Confident	120 Å²	120	75.5 Å²	75.5	63%	0.628	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3.5	176.7	-67.3	170.6	0	0	0	114.3	A52 R53 M54 K58	A52-L56 WeakPolarHBondContact O-CB 3.42Å; A52-L56 VanDerWaalsContact O-CG 3.22Å; A52-L56 WeakPolarHBondContact O-CG 3.3Å; A52-L56 PolarHBondContact O-N 3.35Å; R53-L56 PolarHBondContact O-N 3.24Å; M54-L56 PolarHBondContact O-N 3.18Å; L56-K58 HydrophobicContact CB-CG 4.42Å; L56-K58 PolarHBondContact O-N 3.36Å
57	G	61.4	Low	73.7	Confident	39 Å²	39	69 Å²	69	40%	0.402	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	19.2	178.1	0	0	0	0	0	115.2	R53 M54 E55	R53-G57 PolarHBondContact O-N 3.49Å; M54-G57 PolarHBondContact O-N 3.1Å; E55-G57 VanDerWaalsContact C-N 3.34Å
58	K	74.8	Confident	76.2	Confident	143 Å²	143	68 Å²	68	62%	0.622	34%	0.343	S	S	*	.			trans	-97.9	-22.8	-174.7	-69.2	-174.3	-179.2	-178.7	0	114.1	R53 L56	R53-K58 PolarHBondContact O-N 3.38Å; R53-K58 VanDerWaalsContact O-N 3.1Å; L56-K58 HydrophobicContact CB-CG 4.42Å; L56-K58 PolarHBondContact O-N 3.36Å
59	G	83.4	Confident	78.5	Confident	8 Å²	8	64.7 Å²	64.7	8%	0.082	34%	0.343	C	S	.	.	S	Bend	trans	-102.9	163	177.6	0	0	0	0	0	112.2
60	P	93.9	Very high	80.7	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.032	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-64.8	150	171.9	30.2	-34.9	0	0	0	110	Y50 M54 L77 A78 F159	Y50-P60 PolarHBondContact OH-O 3.25Å; M54-P60 VanDerWaalsContact SD-O 3.41Å; P60-L77 HydrophobicContact CG-CD2 4.15Å; P60-A78 CarbonylContact C-O 3.58Å; P60-A78 WeakPolarHBondContact CA-O 3.35Å; P60-F159 HydrophobicContact CB-CE2 3.84Å; P60-F159 HydrophobicContact CB-CZ 4.19Å
61	F	96.7	Very high	82.6	Confident	21 Å²	21	60.8 Å²	60.8	9%	0.092	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	144.3	160.8	173.5	-86.9	0	0	0	109.4	R63 L76 L77 A78 T80 L105 F107	F61-R63 HydrophobicContact CE1-CB 4.46Å; F61-R63 HydrophobicContact CE1-CG 3.56Å; F61-R63 VanDerWaalsContact CE2-CZ 3.5Å; F61-R63 VanDerWaalsContact CE2-NH1 3.29Å; F61-R63 HydrophobicContact CZ-CG 3.57Å; F61-R63 VanDerWaalsContact CZ-NH1 3.33Å; F61-L76 HydrophobicContact CE1-CD2 4.18Å; F61-L76 HydrophobicContact CE1-CG 4.48Å; F61-L77 VanDerWaalsContact O-CA 3.25Å; F61-L77 WeakPolarHBondContact O-CA 3.38Å; F61-A78 HydrophobicContact CB-CB 4.21Å; F61-A78 WeakPolarHBondContact CB-O 3.2Å; F61-A78 HydrophobicContact CD1-CB 4.29Å; F61-A78 PolarHBondContact N-O 3Å; F61-A78 PolarHBondContact O-N 2.92Å; F61-T80 HydrophobicContact CB-CG2 3.83Å; F61-L105 HydrophobicContact CE1-CD1 3.88Å; F61-L105 HydrophobicContact CE2-CD1 4.49Å; F61-L105 HydrophobicContact CZ-CD1 3.54Å; F61-L105 HydrophobicContact CZ-CD2 4.42Å; F61-F107 HydrophobicContact CB-CZ 4.05Å; F61-F107 HydrophobicContact CD1-CD2 4.49Å; F61-F107 AromaticContact CD1-CE2 3.46Å; F61-F107 HydrophobicContact CD1-CE2 3.46Å; F61-F107 VanDerWaalsContact CD1-CE2 3.46Å; F61-F107 AromaticContact CD1-CZ 3.78Å; F61-F107 HydrophobicContact CD1-CZ 3.78Å; F61-F107 HydrophobicContact CD2-CE2 4.27Å; F61-F107 HydrophobicContact CD2-CZ 4.03Å; F61-F107 HydrophobicContact CE1-CD2 4.48Å; F61-F107 AromaticContact CE1-CE2 3.54Å; F61-F107 HydrophobicContact CE1-CE2 3.54Å; F61-F107 HydrophobicContact CE1-CZ 4.22Å; F61-F107 HydrophobicContact CE2-CE2 4.31Å; F61-F107 HydrophobicContact CE2-CZ 4.43Å; F61-F107 AromaticContact CG-CE2 3.86Å; F61-F107 HydrophobicContact CG-CE2 3.86Å; F61-F107 AromaticContact CG-CZ 3.68Å; F61-F107 HydrophobicContact CG-CZ 3.68Å; F61-F107 AromaticContact CZ-CE2 3.97Å; F61-F107 HydrophobicContact CZ-CE2 3.97Å
62	F	97.8	Very high	84.7	Confident	22 Å²	22	57.4 Å²	57.4	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	139.4	-178.1	177.6	-116.5	0	0	0	113.1	Y50 Q64 Y75 L76 L77 M186 F188 F229	Y50-F62 HydrophobicContact CE1-CB 4.14Å; Y50-F62 AromaticContact CE1-CD1 3.98Å; Y50-F62 HydrophobicContact CE1-CD1 3.98Å; Y50-F62 HydrophobicContact CE1-CG 4.43Å; Y50-F62 WeakPolarHBondContact OH-CB 3.27Å; F62-Q64 HydrophobicContact CE1-CB 4.27Å; F62-Q64 HydrophobicContact CZ-CB 4.04Å; F62-Y75 AromaticContact CE2-CD1 3.55Å; F62-Y75 HydrophobicContact CE2-CD1 3.55Å; F62-Y75 HydrophobicContact CE2-CE1 4.34Å; F62-Y75 HydrophobicContact CE2-CG 4.29Å; F62-Y75 AromaticContact CZ-CD1 3.64Å; F62-Y75 HydrophobicContact CZ-CD1 3.64Å; F62-Y75 HydrophobicContact CZ-CE1 4Å; F62-L76 CarbonylContact C-O 3.58Å; F62-L76 WeakPolarHBondContact CA-O 3.49Å; F62-L77 HydrophobicContact CD2-CD1 4.32Å; F62-L77 HydrophobicContact CD2-CG 4.19Å; F62-M186 HydrophobicContact CD1-CE 4.06Å; F62-M186 HydrophobicContact CD2-CE 3.6Å; F62-M186 HydrophobicContact CE1-CE 4.01Å; F62-M186 HydrophobicContact CE2-CE 3.53Å; F62-M186 HydrophobicContact CG-CE 3.86Å; F62-M186 HydrophobicContact CZ-CE 3.74Å; F62-F188 AromaticContact CE2-CE1 3.78Å; F62-F188 HydrophobicContact CE2-CE1 3.78Å; F62-F188 AromaticContact CE2-CZ 3.98Å; F62-F188 HydrophobicContact CE2-CZ 3.98Å; F62-F188 HydrophobicContact CZ-CE1 4.41Å; F62-F229 AromaticContact CE1-CE1 3.77Å; F62-F229 HydrophobicContact CE1-CE1 3.77Å; F62-F229 HydrophobicContact CE1-CE2 4.45Å; F62-F229 AromaticContact CE1-CZ 3.69Å; F62-F229 HydrophobicContact CE1-CZ 3.69Å; F62-F229 AromaticContact CZ-CD1 3.94Å; F62-F229 HydrophobicContact CZ-CD1 3.94Å; F62-F229 HydrophobicContact CZ-CD2 4.46Å; F62-F229 AromaticContact CZ-CE1 3.55Å; F62-F229 HydrophobicContact CZ-CE1 3.55Å; F62-F229 HydrophobicContact CZ-CE2 4.14Å; F62-F229 HydrophobicContact CZ-CG 4.37Å; F62-F229 AromaticContact CZ-CZ 3.66Å; F62-F229 HydrophobicContact CZ-CZ 3.66Å
63	R	98.6	Very high	86.8	Confident	100 Å²	100	56.7 Å²	56.7	38%	0.377	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.9	162.4	-67	-68.8	-177.2	-89.3	2.4	109.8	F61 L65 Y75 L76	F61-R63 HydrophobicContact CE1-CB 4.46Å; F61-R63 HydrophobicContact CE1-CG 3.56Å; F61-R63 VanDerWaalsContact CE2-CZ 3.5Å; F61-R63 VanDerWaalsContact CE2-NH1 3.29Å; F61-R63 HydrophobicContact CZ-CG 3.57Å; F61-R63 VanDerWaalsContact CZ-NH1 3.33Å; R63-L65 HydrophobicContact CB-CD2 4.47Å; R63-Y75 WeakPolarHBondContact O-CA 3.33Å; R63-L76 HydrophobicContact CB-CB 4.29Å; R63-L76 PolarHBondContact N-O 3.23Å; R63-L76 PolarHBondContact O-N 2.99Å
64	Q	98.8	Very high	88.7	Confident	50 Å²	50	53.1 Å²	53.1	23%	0.234	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.7	164.3	177.9	172.4	25	0	0	107.6	F62 Y73 Y75 T238	F62-Q64 HydrophobicContact CE1-CB 4.27Å; F62-Q64 HydrophobicContact CZ-CB 4.04Å; Q64-Y73 HydrophobicContact CG-CD1 3.59Å; Q64-Y73 HydrophobicContact CG-CE1 4.09Å; Q64-Y73 HydrophobicContact CG-CG 4.1Å; Q64-Y73 VanDerWaalsContact NE2-CD2 3.3Å; Q64-Y75 HydrophobicContact CB-CD1 3.98Å; Q64-Y75 HydrophobicContact CB-CE1 3.88Å; Q64-Y75 HydrophobicContact CG-CD1 4.02Å; Q64-Y75 HydrophobicContact CG-CE1 3.49Å; Q64-Y75 VanDerWaalsContact CG-CE1 3.49Å; Q64-Y75 PolarHBondContact NE2-OH 3.02Å; Q64-T238 PolarHBondContact NE2-O 3.38Å; Q64-T238 PolarHBondContact OE1-O 3.15Å
65	L	98.8	Very high	90.7	Very high	28 Å²	28	50 Å²	50	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	152.8	178.3	-53.5	173	0	0	0	108.2	R63 Y73 T74 D98 L101	R63-L65 HydrophobicContact CB-CD2 4.47Å; L65-Y73 VanDerWaalsContact O-CA 3.3Å; L65-Y73 WeakPolarHBondContact O-CA 3.45Å; L65-T74 PolarHBondContact N-O 3.32Å; L65-T74 PolarHBondContact O-N 3.03Å; L65-D98 VanDerWaalsContact CD1-OD1 3.3Å; L65-D98 WeakPolarHBondContact CD1-OD1 3.42Å; L65-L101 HydrophobicContact CD1-CD2 4.03Å; L65-L101 HydrophobicContact CD2-CD2 3.78Å; L65-L101 HydrophobicContact CG-CD2 4.47Å
66	F	98.8	Very high	92.7	Very high	91 Å²	91	42.2 Å²	42.2	40%	0.399	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.5	-175.2	-176.9	-115.1	0	0	0	110.6	S71 T72 Y73 R97	F66-S71 VanDerWaalsContact CE2-C 3.48Å; F66-S71 VanDerWaalsContact CE2-CA 3.46Å; F66-T72 WeakPolarHBondContact CA-O 3.24Å; F66-Y73 HydrophobicContact CB-CD1 4.2Å; F66-Y73 HydrophobicContact CB-CE1 4.1Å; F66-Y73 AromaticContact CD2-CD1 3.71Å; F66-Y73 HydrophobicContact CD2-CD1 3.71Å; F66-Y73 AromaticContact CD2-CE1 3.44Å; F66-Y73 HydrophobicContact CD2-CE1 3.44Å; F66-Y73 VanDerWaalsContact CD2-CE1 3.44Å; F66-Y73 HydrophobicContact CE2-CE1 4.19Å; F66-Y73 HydrophobicContact CG-CD1 4.42Å; F66-Y73 HydrophobicContact CG-CE1 4.1Å; F66-R97 PolarHBondContact O-NH1 3.23Å
67	E	98.7	Very high	94.7	Very high	18 Å²	18	36.5 Å²	36.5	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.5	165.6	-160.7	-64.7	111.2	0	0	108.2	V69 S70 S71 T72 V91 T94	E67-V69 VanDerWaalsContact CD-N 3.27Å; E67-V69 WeakPolarHBondContact OE1-CB 3.38Å; E67-V69 WeakPolarHBondContact OE1-CG2 3.35Å; E67-V69 PolarHBondContact OE1-N 2.77Å; E67-V69 WeakPolarHBondContact OE2-CA 3.31Å; E67-V69 WeakPolarHBondContact OE2-CB 3.27Å; E67-V69 PolarHBondContact OE2-N 3.42Å; E67-S70 PolarHBondContact OE2-N 3.24Å; E67-S70 PolarHBondContact OE2-OG 3.26Å; E67-S71 CarbonylContact O-C 3.55Å; E67-S71 WeakPolarHBondContact O-CA 3.46Å; E67-S71 PolarHBondContact O-N 2.94Å; E67-T72 PolarHBondContact N-O 2.87Å; E67-T72 PolarHBondContact O-N 3.28Å; E67-T72 VanDerWaalsContact O-N 3.15Å; E67-V91 HydrophobicContact CB-CB 4.4Å; E67-V91 HydrophobicContact CB-CG2 4.05Å; E67-V91 HydrophobicContact CG-CB 4.3Å; E67-V91 HydrophobicContact CG-CG1 4Å; E67-V91 HydrophobicContact CG-CG2 4.43Å; E67-T94 HydrophobicContact CB-CG2 4.11Å; E67-T94 HydrophobicContact CG-CG2 3.6Å
68	S	98	Very high	96.4	Very high	86 Å²	86	34.7 Å²	34.7	60%	0.601	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-22.6	-166.9	51.8	0	0	0	0	115.4
69	V	98	Very high	97.5	Very high	110 Å²	110	28 Å²	28	67%	0.667	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-49.3	-175.8	178.4	0	0	0	0	110.8	E67	E67-V69 VanDerWaalsContact CD-N 3.27Å; E67-V69 WeakPolarHBondContact OE1-CB 3.38Å; E67-V69 WeakPolarHBondContact OE1-CG2 3.35Å; E67-V69 PolarHBondContact OE1-N 2.77Å; E67-V69 WeakPolarHBondContact OE2-CA 3.31Å; E67-V69 WeakPolarHBondContact OE2-CB 3.27Å; E67-V69 PolarHBondContact OE2-N 3.42Å
70	S	98.1	Very high	98.1	Very high	10 Å²	10	30.8 Å²	30.8	7%	0.07	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.7	175	60	0	0	0	0	113	E67 T72 D120 H232	E67-S70 PolarHBondContact OE2-N 3.24Å; E67-S70 PolarHBondContact OE2-OG 3.26Å; S70-T72 WeakPolarHBondContact CB-OG1 3.33Å; S70-T72 PolarHBondContact O-N 3.44Å; S70-T72 WeakPolarHBondContact OG-CB 3.15Å; S70-T72 PolarHBondContact OG-OG1 3.14Å; S70-D120 WeakPolarHBondContact CB-OD2 3.5Å; S70-H232 PolarHBondContact O-CD2 3.29Å
71	S	98.6	Very high	98.1	Very high	23 Å²	23	37.2 Å²	37.2	16%	0.161	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	31.3	-173.2	-51	0	0	0	0	113.1	F66 E67 H232 D233	F66-S71 VanDerWaalsContact CE2-C 3.48Å; F66-S71 VanDerWaalsContact CE2-CA 3.46Å; E67-S71 CarbonylContact O-C 3.55Å; E67-S71 WeakPolarHBondContact O-CA 3.46Å; E67-S71 PolarHBondContact O-N 2.94Å; S71-H232 WeakPolarHBondContact O-CA 3.29Å; S71-H232 PolarHBondContact O-CD2 3.12Å; S71-D233 WeakPolarHBondContact CB-O 3.41Å
72	T	98.9	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.8	-177	-54.2	0	0	0	0	111.2	F66 E67 S70 V91 D120 H121 A231 H232	F66-T72 WeakPolarHBondContact CA-O 3.24Å; E67-T72 PolarHBondContact N-O 2.87Å; E67-T72 PolarHBondContact O-N 3.28Å; E67-T72 VanDerWaalsContact O-N 3.15Å; S70-T72 WeakPolarHBondContact CB-OG1 3.33Å; S70-T72 PolarHBondContact O-N 3.44Å; S70-T72 WeakPolarHBondContact OG-CB 3.15Å; S70-T72 PolarHBondContact OG-OG1 3.14Å; T72-V91 HydrophobicContact CG2-CG2 3.75Å; T72-D120 PolarHBondContact OG1-OD2 2.91Å; T72-H121 PolarHBondContact OG1-ND1 2.81Å; T72-A231 CarbonylContact C-O 3.58Å; T72-A231 WeakPolarHBondContact CA-O 3.48Å; T72-H232 PolarHBondContact OG1-CD2 3.4Å; T72-H232 PolarHBondContact OG1-NE2 3.13Å
73	Y	98.9	Very high	98.2	Very high	11 Å²	11	43.6 Å²	43.6	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.8	164.3	-70.9	-52.8	0	0	0	111.1	Q64 L65 F66 Y75 P230 A231 D233 Q237	Q64-Y73 HydrophobicContact CG-CD1 3.59Å; Q64-Y73 HydrophobicContact CG-CE1 4.09Å; Q64-Y73 HydrophobicContact CG-CG 4.1Å; Q64-Y73 VanDerWaalsContact NE2-CD2 3.3Å; L65-Y73 VanDerWaalsContact O-CA 3.3Å; L65-Y73 WeakPolarHBondContact O-CA 3.45Å; F66-Y73 HydrophobicContact CB-CD1 4.2Å; F66-Y73 HydrophobicContact CB-CE1 4.1Å; F66-Y73 AromaticContact CD2-CD1 3.71Å; F66-Y73 HydrophobicContact CD2-CD1 3.71Å; F66-Y73 AromaticContact CD2-CE1 3.44Å; F66-Y73 HydrophobicContact CD2-CE1 3.44Å; F66-Y73 VanDerWaalsContact CD2-CE1 3.44Å; F66-Y73 HydrophobicContact CE2-CE1 4.19Å; F66-Y73 HydrophobicContact CG-CD1 4.42Å; F66-Y73 HydrophobicContact CG-CE1 4.1Å; Y73-Y75 VanDerWaalsContact CB-CZ 3.5Å; Y73-Y75 WeakPolarHBondContact CB-OH 3.41Å; Y73-P230 HydrophobicContact CD2-CG 4.37Å; Y73-A231 PolarHBondContact N-O 3.43Å; Y73-D233 HydrophobicContact CE2-CB 3.63Å; Y73-Q237 PolarHBondContact OH-O 3.31Å
74	T	98.9	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.4	168.7	-57.4	0	0	0	0	108.6	L65 L87 I88 D89 P90	L65-T74 PolarHBondContact N-O 3.32Å; L65-T74 PolarHBondContact O-N 3.03Å; T74-L87 HydrophobicContact CG2-CD1 3.68Å; T74-L87 HydrophobicContact CG2-CD2 4.26Å; T74-L87 HydrophobicContact CG2-CG 3.79Å; T74-I88 WeakPolarHBondContact CA-O 3.38Å; T74-I88 WeakPolarHBondContact CG2-O 3.43Å; T74-D89 PolarHBondContact OG1-O 3.31Å; T74-P90 HydrophobicContact CG2-CB 4.31Å
75	Y	98.9	Very high	98.2	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.1	-175.8	-57.8	-76.9	0	0	0	112.2	F62 R63 Q64 Y73 L87 I88 F188 F229 P230	F62-Y75 AromaticContact CE2-CD1 3.55Å; F62-Y75 HydrophobicContact CE2-CD1 3.55Å; F62-Y75 HydrophobicContact CE2-CE1 4.34Å; F62-Y75 HydrophobicContact CE2-CG 4.29Å; F62-Y75 AromaticContact CZ-CD1 3.64Å; F62-Y75 HydrophobicContact CZ-CD1 3.64Å; F62-Y75 HydrophobicContact CZ-CE1 4Å; R63-Y75 WeakPolarHBondContact O-CA 3.33Å; Q64-Y75 HydrophobicContact CB-CD1 3.98Å; Q64-Y75 HydrophobicContact CB-CE1 3.88Å; Q64-Y75 HydrophobicContact CG-CD1 4.02Å; Q64-Y75 HydrophobicContact CG-CE1 3.49Å; Q64-Y75 VanDerWaalsContact CG-CE1 3.49Å; Q64-Y75 PolarHBondContact NE2-OH 3.02Å; Y73-Y75 VanDerWaalsContact CB-CZ 3.5Å; Y73-Y75 WeakPolarHBondContact CB-OH 3.41Å; Y75-L87 CarbonylContact O-C 3.47Å; Y75-L87 WeakPolarHBondContact O-CA 3.41Å; Y75-I88 HydrophobicContact CD2-CB 4.38Å; Y75-I88 PolarHBondContact N-O 2.76Å; Y75-I88 PolarHBondContact O-N 2.63Å; Y75-F188 HydrophobicContact CD1-CD1 4.12Å; Y75-F188 AromaticContact CD1-CE1 3.75Å; Y75-F188 HydrophobicContact CD1-CE1 3.75Å; Y75-F188 AromaticContact CD2-CD1 3.52Å; Y75-F188 HydrophobicContact CD2-CD1 3.52Å; Y75-F188 AromaticContact CD2-CE1 3.98Å; Y75-F188 HydrophobicContact CD2-CE1 3.98Å; Y75-F188 HydrophobicContact CE1-CD1 4.42Å; Y75-F188 HydrophobicContact CE1-CE1 4.27Å; Y75-F188 AromaticContact CE2-CD1 3.9Å; Y75-F188 HydrophobicContact CE2-CD1 3.9Å; Y75-F188 HydrophobicContact CE2-CE1 4.49Å; Y75-F188 AromaticContact CG-CD1 3.63Å; Y75-F188 HydrophobicContact CG-CD1 3.63Å; Y75-F188 AromaticContact CG-CE1 3.56Å; Y75-F188 HydrophobicContact CG-CE1 3.56Å; Y75-F229 HydrophobicContact CE1-CB 3.85Å; Y75-F229 AromaticContact CE1-CD1 3.63Å; Y75-F229 HydrophobicContact CE1-CD1 3.63Å; Y75-F229 HydrophobicContact CE1-CE1 4.49Å; Y75-F229 AromaticContact CE1-CG 3.99Å; Y75-F229 HydrophobicContact CE1-CG 3.99Å; Y75-F229 HydrophobicContact CE2-CB 4.16Å; Y75-F229 WeakPolarHBondContact OH-CB 3.46Å; Y75-P230 WeakPolarHBondContact CE2-O 3.19Å; Y75-P230 PolarHBondContact OH-O 3.16Å
76	L	98.9	Very high	98.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.4	172.4	173.7	63.8	0	0	0	109.3	F61 F62 R63 A85 L87 L101 I102 L105 F107	F61-L76 HydrophobicContact CE1-CD2 4.18Å; F61-L76 HydrophobicContact CE1-CG 4.48Å; F62-L76 CarbonylContact C-O 3.58Å; F62-L76 WeakPolarHBondContact CA-O 3.49Å; R63-L76 HydrophobicContact CB-CB 4.29Å; R63-L76 PolarHBondContact N-O 3.23Å; R63-L76 PolarHBondContact O-N 2.99Å; L76-A85 HydrophobicContact CD1-CB 4.01Å; L76-L87 HydrophobicContact CB-CD1 3.8Å; L76-L87 HydrophobicContact CD1-CD1 4.18Å; L76-L101 HydrophobicContact CD2-CD2 4.29Å; L76-I102 HydrophobicContact CD1-CD1 4.26Å; L76-I102 HydrophobicContact CD1-CG1 4Å; L76-I102 HydrophobicContact CD2-CG1 4Å; L76-L105 HydrophobicContact CD2-CD1 4.31Å; L76-F107 HydrophobicContact CD2-CD2 4.48Å
77	L	98.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.2	171.2	-65.9	80.8	0	0	0	109.7	P60 F61 F62 A85 V86 I88 F159 L164 T181 F188	P60-L77 HydrophobicContact CG-CD2 4.15Å; F61-L77 VanDerWaalsContact O-CA 3.25Å; F61-L77 WeakPolarHBondContact O-CA 3.38Å; F62-L77 HydrophobicContact CD2-CD1 4.32Å; F62-L77 HydrophobicContact CD2-CG 4.19Å; L77-A85 CarbonylContact O-C 3.53Å; L77-A85 WeakPolarHBondContact O-CA 3.42Å; L77-A85 WeakPolarHBondContact O-CB 3.38Å; L77-V86 HydrophobicContact CB-CG2 4.3Å; L77-V86 HydrophobicContact CD1-CG2 4.47Å; L77-V86 PolarHBondContact N-O 2.82Å; L77-V86 PolarHBondContact O-N 3.46Å; L77-I88 HydrophobicContact CD1-CD1 3.89Å; L77-I88 HydrophobicContact CD1-CG1 4.43Å; L77-F159 HydrophobicContact CB-CE2 3.92Å; L77-F159 HydrophobicContact CB-CZ 3.92Å; L77-F159 HydrophobicContact CD2-CZ 4.13Å; L77-L164 HydrophobicContact CD2-CD2 4.23Å; L77-T181 HydrophobicContact CD2-CG2 4.34Å; L77-F188 HydrophobicContact CD1-CE1 4.27Å; L77-F188 HydrophobicContact CD1-CE2 4.07Å; L77-F188 HydrophobicContact CD1-CZ 3.67Å; L77-F188 HydrophobicContact CD2-CE2 3.83Å; L77-F188 HydrophobicContact CD2-CZ 3.85Å; L77-F188 HydrophobicContact CG-CZ 4.23Å
78	A	98.4	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.6	177.2	0	0	0	0	0	112.9	P60 F61 E84 A85 F107	P60-A78 CarbonylContact C-O 3.58Å; P60-A78 WeakPolarHBondContact CA-O 3.35Å; F61-A78 HydrophobicContact CB-CB 4.21Å; F61-A78 WeakPolarHBondContact CB-O 3.2Å; F61-A78 HydrophobicContact CD1-CB 4.29Å; F61-A78 PolarHBondContact N-O 3Å; F61-A78 PolarHBondContact O-N 2.92Å; A78-E84 CarbonylContact C-O 3.52Å; A78-E84 VanDerWaalsContact CA-O 3.28Å; A78-E84 WeakPolarHBondContact CA-O 3.15Å; A78-A85 HydrophobicContact CB-CB 3.73Å; A78-F107 HydrophobicContact CB-CD1 3.6Å; A78-F107 HydrophobicContact CB-CD2 3.91Å; A78-F107 HydrophobicContact CB-CE1 3.54Å; A78-F107 HydrophobicContact CB-CE2 3.84Å; A78-F107 HydrophobicContact CB-CG 3.8Å; A78-F107 HydrophobicContact CB-CZ 3.67Å
79	D	97.5	Very high	98.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.151	C	C	.	.			trans	-84	122	162.1	-174.6	-12.4	0	0	0	108.7	E81 S82 R83 E84 G160 K161	D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 2.77Å; D79-E81 PolarHBondContact OD1-N 2.97Å; D79-S82 WeakPolarHBondContact CB-OG 3.42Å; D79-R83 WeakPolarHBondContact O-CA 3.42Å; D79-R83 PolarHBondContact O-N 2.97Å; D79-E84 PolarHBondContact N-O 3.12Å; D79-G160 VanDerWaalsContact OD2-CA 3.29Å; D79-G160 WeakPolarHBondContact OD2-CA 3.3Å; D79-K161 WeakPolarHBondContact OD2-CG 3.37Å; D79-K161 PolarHBondContact OD2-N 2.89Å
80	T	95.6	Very high	98.3	Very high	66 Å²	66	23.7 Å²	23.7	41%	0.405	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.5	-178.9	52.5	0	0	0	0	113.5	F61 R83	F61-T80 HydrophobicContact CB-CG2 3.83Å; T80-R83 PolarHBondContact O-NE 2.94Å
81	E	95.3	Very high	98.3	Very high	139 Å²	139	23.2 Å²	23.2	65%	0.65	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-58	179.1	-68.8	172.6	-143.3	0	0	111	D79 R83 K161	D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 2.77Å; D79-E81 PolarHBondContact OD1-N 2.97Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.03Å; E81-K161 IonicContact OE1-NZ 2.9Å; E81-K161 PolarHBondContact OE1-NZ 3.15Å
82	S	97.2	Very high	98.3	Very high	54 Å²	54	24.2 Å²	24.2	38%	0.378	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.4	-179.3	76.4	0	0	0	0	113.7	D79 E84 G160	D79-S82 WeakPolarHBondContact CB-OG 3.42Å; S82-E84 PolarHBondContact O-N 2.88Å; S82-E84 PolarHBondContact OG-N 3.05Å; S82-G160 VanDerWaalsContact OG-CA 3.25Å; S82-G160 WeakPolarHBondContact OG-CA 3.49Å
83	R	97.7	Very high	98.3	Very high	123 Å²	123	29.3 Å²	29.3	46%	0.464	14%	0.143	S	C	.	.			trans	65.9	3.5	-171.8	-52.7	-60.7	-174.8	154.5	-1.2	115	D79 T80 E81 F107 N108	D79-R83 WeakPolarHBondContact O-CA 3.42Å; D79-R83 PolarHBondContact O-N 2.97Å; T80-R83 PolarHBondContact O-NE 2.94Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 3.03Å; R83-F107 HydrophobicContact CB-CD1 4.32Å; R83-F107 CarbonylContact O-C 3.52Å; R83-F107 WeakPolarHBondContact O-CA 3.47Å; R83-N108 PolarHBondContact O-N 3.48Å
84	E	98.5	Very high	98.3	Very high	62 Å²	62	29.6 Å²	29.6	29%	0.29	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.1	177.4	-64.5	-169.5	139.5	0	0	111.6	A78 D79 S82 N108 K110 F159 G160	A78-E84 CarbonylContact C-O 3.52Å; A78-E84 VanDerWaalsContact CA-O 3.28Å; A78-E84 WeakPolarHBondContact CA-O 3.15Å; D79-E84 PolarHBondContact N-O 3.12Å; S82-E84 PolarHBondContact O-N 2.88Å; S82-E84 PolarHBondContact OG-N 3.05Å; E84-N108 WeakPolarHBondContact CA-O 3.5Å; E84-K110 HydrophobicContact CB-CG 3.96Å; E84-K110 HydrophobicContact CG-CD 4.3Å; E84-K110 HydrophobicContact CG-CG 4.05Å; E84-F159 HydrophobicContact CB-CB 4.18Å; E84-G160 PolarHBondContact OE2-N 2.77Å
85	A	98.6	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.3	-174.9	0	0	0	0	0	113.5	L76 L77 A78 F107 N108 L109 K110	L76-A85 HydrophobicContact CD1-CB 4.01Å; L77-A85 CarbonylContact O-C 3.53Å; L77-A85 WeakPolarHBondContact O-CA 3.42Å; L77-A85 WeakPolarHBondContact O-CB 3.38Å; A78-A85 HydrophobicContact CB-CB 3.73Å; A85-F107 HydrophobicContact CB-CB 3.98Å; A85-F107 HydrophobicContact CB-CG 4.48Å; A85-N108 PolarHBondContact N-O 3.2Å; A85-L109 HydrophobicContact CB-CD1 4.46Å; A85-K110 PolarHBondContact O-N 3.4Å
86	V	98.9	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.7	169.1	-27.1	0	0	0	0	109.8	L77 I88 V111 I157 F159 L164	L77-V86 HydrophobicContact CB-CG2 4.3Å; L77-V86 HydrophobicContact CD1-CG2 4.47Å; L77-V86 PolarHBondContact N-O 2.82Å; L77-V86 PolarHBondContact O-N 3.46Å; V86-I88 HydrophobicContact CG2-CG1 4.27Å; V86-V111 CarbonylContact C-O 3.57Å; V86-V111 VanDerWaalsContact CA-O 3.22Å; V86-V111 WeakPolarHBondContact CA-O 3.45Å; V86-I157 HydrophobicContact CG1-CG2 4.22Å; V86-F159 HydrophobicContact CG1-CB 3.64Å; V86-F159 HydrophobicContact CG1-CD1 3.27Å; V86-F159 HydrophobicContact CG1-CD2 4.25Å; V86-F159 HydrophobicContact CG1-CE1 3.94Å; V86-F159 HydrophobicContact CG1-CG 3.46Å; V86-F159 VanDerWaalsContact CG1-CG 3.46Å; V86-L164 HydrophobicContact CG2-CD1 3.77Å
87	L	98.9	Very high	98.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.4	175.9	-163.1	68.3	0	0	0	109.2	T74 Y75 L76 P90 D98 L109 V111 A112 V113 L128	T74-L87 HydrophobicContact CG2-CD1 3.68Å; T74-L87 HydrophobicContact CG2-CD2 4.26Å; T74-L87 HydrophobicContact CG2-CG 3.79Å; Y75-L87 CarbonylContact O-C 3.47Å; Y75-L87 WeakPolarHBondContact O-CA 3.41Å; L76-L87 HydrophobicContact CB-CD1 3.8Å; L76-L87 HydrophobicContact CD1-CD1 4.18Å; L87-P90 HydrophobicContact CD2-CB 3.73Å; L87-P90 HydrophobicContact CD2-CG 4.44Å; L87-P90 HydrophobicContact CG-CB 4.25Å; L87-D98 HydrophobicContact CD2-CB 4.16Å; L87-L109 HydrophobicContact CB-CD1 3.7Å; L87-L109 HydrophobicContact CB-CD2 4.29Å; L87-L109 HydrophobicContact CD2-CD2 4.4Å; L87-V111 PolarHBondContact N-O 2.87Å; L87-A112 HydrophobicContact CB-CB 4.45Å; L87-A112 CarbonylContact O-C 3.55Å; L87-A112 VanDerWaalsContact O-CA 3.29Å; L87-A112 WeakPolarHBondContact O-CA 3Å; L87-V113 PolarHBondContact O-N 2.91Å; L87-L128 HydrophobicContact CD2-CD1 3.85Å
88	I	98.9	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.6	-178.9	-49.8	172.7	0	0	0	109.1	T74 Y75 L77 V86 V113 T115 L164 L179 F188	T74-I88 WeakPolarHBondContact CA-O 3.38Å; T74-I88 WeakPolarHBondContact CG2-O 3.43Å; Y75-I88 HydrophobicContact CD2-CB 4.38Å; Y75-I88 PolarHBondContact N-O 2.76Å; Y75-I88 PolarHBondContact O-N 2.63Å; L77-I88 HydrophobicContact CD1-CD1 3.89Å; L77-I88 HydrophobicContact CD1-CG1 4.43Å; V86-I88 HydrophobicContact CG2-CG1 4.27Å; I88-V113 CarbonylContact C-O 3.57Å; I88-V113 VanDerWaalsContact CA-O 3.32Å; I88-V113 WeakPolarHBondContact CA-O 3.41Å; I88-V113 HydrophobicContact CB-CG1 4.25Å; I88-V113 HydrophobicContact CG1-CG1 3.81Å; I88-V113 HydrophobicContact CG2-CG1 4.33Å; I88-T115 HydrophobicContact CG2-CG2 3.88Å; I88-L164 HydrophobicContact CD1-CD1 3.77Å; I88-L164 HydrophobicContact CG1-CD1 4.28Å; I88-L179 HydrophobicContact CD1-CD1 4.02Å; I88-L179 HydrophobicContact CG1-CD1 4.12Å; I88-L179 HydrophobicContact CG2-CD1 3.92Å; I88-F188 HydrophobicContact CD1-CB 3.98Å; I88-F188 HydrophobicContact CD1-CD1 3.84Å; I88-F188 HydrophobicContact CD1-CD2 3.42Å; I88-F188 VanDerWaalsContact CD1-CD2 3.42Å; I88-F188 HydrophobicContact CD1-CE1 4.21Å; I88-F188 HydrophobicContact CD1-CE2 3.84Å; I88-F188 HydrophobicContact CD1-CG 3.43Å; I88-F188 VanDerWaalsContact CD1-CG 3.43Å; I88-F188 HydrophobicContact CD1-CZ 4.22Å
89	D	98.9	Very high	98.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.011	20%	0.195	C	C	.	.	S	Bend	trans	51	56.3	177.9	-63.9	-31.7	0	0	0	113.4	T74 V113 N114 T115 H118	T74-D89 PolarHBondContact OG1-O 3.31Å; D89-V113 PolarHBondContact N-O 3.23Å; D89-N114 WeakPolarHBondContact OD1-CA 3.41Å; D89-T115 PolarHBondContact OD1-N 2.93Å; D89-T115 PolarHBondContact OD1-OG1 3.39Å; D89-T115 WeakPolarHBondContact OD2-CB 3.36Å; D89-T115 WeakPolarHBondContact OD2-CG2 3.13Å; D89-T115 PolarHBondContact OD2-OG1 3.44Å; D89-H118 VanDerWaalsContact CG-NE2 3.29Å; D89-H118 IonicContact OD1-CE1 3.94Å; D89-H118 PolarHBondContact OD1-CE1 2.76Å; D89-H118 IonicContact OD1-NE2 2.76Å; D89-H118 PolarHBondContact OD1-NE2 2.91Å; D89-H118 IonicContact OD2-CE1 2.63Å; D89-H118 IonicContact OD2-NE2 2.96Å
90	P	98.9	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.			trans	-71.3	142	175.3	31.4	-34.9	0	0	0	111.6	T74 L87 A112 T123 G124 T125 L128	T74-P90 HydrophobicContact CG2-CB 4.31Å; L87-P90 HydrophobicContact CD2-CB 3.73Å; L87-P90 HydrophobicContact CD2-CG 4.44Å; L87-P90 HydrophobicContact CG-CB 4.25Å; P90-A112 HydrophobicContact CG-CB 4.36Å; P90-T123 CarbonylContact O-C 3.55Å; P90-T123 WeakPolarHBondContact O-CA 3.33Å; P90-T123 PolarHBondContact O-OG1 3.34Å; P90-G124 PolarHBondContact O-N 2.97Å; P90-T125 HydrophobicContact CG-CG2 3.71Å; P90-L128 HydrophobicContact CB-CD1 3.78Å; P90-L128 HydrophobicContact CG-CD1 3.93Å
91	V	98.8	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-101.7	138.5	178.6	-174.7	0	0	0	0	110.6	E67 T72 E93 T94 V95 H121	E67-V91 HydrophobicContact CB-CB 4.4Å; E67-V91 HydrophobicContact CB-CG2 4.05Å; E67-V91 HydrophobicContact CG-CB 4.3Å; E67-V91 HydrophobicContact CG-CG1 4Å; E67-V91 HydrophobicContact CG-CG2 4.43Å; T72-V91 HydrophobicContact CG2-CG2 3.75Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 VanDerWaalsContact CG1-OE2 3.27Å; V91-E93 WeakPolarHBondContact CG1-OE2 3.44Å; V91-E93 PolarHBondContact O-N 2.79Å; V91-T94 PolarHBondContact O-N 2.96Å; V91-T94 VanDerWaalsContact O-N 3.1Å; V91-T94 PolarHBondContact O-OG1 2.81Å; V91-V95 PolarHBondContact O-N 2.79Å; V91-H121 HydrophobicContact CG1-CB 3.96Å
92	L	98.5	Very high	98.6	Very high	44 Å²	44	38 Å²	38	23%	0.23	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-53.2	-49.1	-178	174.2	63.1	0	0	0	112.2	T94 V95 I122 Q127	L92-T94 PolarHBondContact O-N 2.78Å; L92-T94 VanDerWaalsContact O-N 3.15Å; L92-V95 WeakPolarHBondContact O-CG2 3.43Å; L92-V95 PolarHBondContact O-N 3.48Å; L92-I122 HydrophobicContact CB-CB 4.1Å; L92-I122 HydrophobicContact CB-CG2 4.2Å; L92-I122 VanDerWaalsContact CB-O 3.27Å; L92-I122 WeakPolarHBondContact CB-O 3.32Å; L92-I122 HydrophobicContact CD2-CB 4Å; L92-I122 HydrophobicContact CD2-CD1 4.21Å; L92-I122 HydrophobicContact CD2-CG2 3.86Å; L92-I122 PolarHBondContact N-O 2.92Å; L92-Q127 HydrophobicContact CD1-CB 4.15Å; L92-Q127 HydrophobicContact CD1-CG 3.28Å
93	E	98.4	Very high	98.7	Very high	107 Å²	107	43 Å²	43	50%	0.5	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-64.7	-17.5	-177	-65.8	91.6	148.8	0	0	113.2	V91 K273	V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 VanDerWaalsContact CG1-OE2 3.27Å; V91-E93 WeakPolarHBondContact CG1-OE2 3.44Å; V91-E93 PolarHBondContact O-N 2.79Å; E93-K273 IonicContact OE1-NZ 3.95Å; E93-K273 PolarHBondContact OE1-NZ 3.14Å
94	T	98.8	Very high	98.7	Very high	17 Å²	17	43.3 Å²	43.3	10%	0.104	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-110.7	8.3	-178.1	62.6	0	0	0	0	114.5	E67 V91 L92 D96 R97 D98	E67-T94 HydrophobicContact CB-CG2 4.11Å; E67-T94 HydrophobicContact CG-CG2 3.6Å; V91-T94 PolarHBondContact O-N 2.96Å; V91-T94 VanDerWaalsContact O-N 3.1Å; V91-T94 PolarHBondContact O-OG1 2.81Å; L92-T94 PolarHBondContact O-N 2.78Å; L92-T94 VanDerWaalsContact O-N 3.15Å; T94-D96 VanDerWaalsContact C-N 3.28Å; T94-D96 PolarHBondContact O-N 2.91Å; T94-R97 VanDerWaalsContact CB-CZ 3.41Å; T94-R97 WeakPolarHBondContact O-CB 3.29Å; T94-R97 PolarHBondContact O-N 3.17Å; T94-R97 VanDerWaalsContact O-N 3.08Å; T94-R97 PolarHBondContact OG1-NH2 3.26Å; T94-D98 VanDerWaalsContact O-CG 3.26Å; T94-D98 PolarHBondContact O-N 3.28Å
95	V	98.6	Very high	98.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-54.3	-42.7	-179.9	166.5	0	0	0	0	112.4	V91 L92 R97 D98 L99 Q127 L128	V91-V95 PolarHBondContact O-N 2.79Å; L92-V95 WeakPolarHBondContact O-CG2 3.43Å; L92-V95 PolarHBondContact O-N 3.48Å; V95-R97 VanDerWaalsContact C-N 3.35Å; V95-R97 PolarHBondContact O-N 2.87Å; V95-D98 PolarHBondContact O-N 3.23Å; V95-L99 HydrophobicContact CG1-CD1 3.78Å; V95-L99 HydrophobicContact CG1-CG 4.23Å; V95-L99 WeakPolarHBondContact O-CB 3.5Å; V95-L99 WeakPolarHBondContact O-CG 3.35Å; V95-L99 PolarHBondContact O-N 2.96Å; V95-Q127 HydrophobicContact CG1-CB 4.22Å; V95-Q127 HydrophobicContact CG2-CB 4.09Å; V95-L128 HydrophobicContact CG1-CD2 3.84Å; V95-L128 HydrophobicContact CG1-CG 4.12Å; V95-L128 HydrophobicContact CG2-CG 4.15Å
96	D	98.7	Very high	98.6	Very high	105 Å²	105	44.9 Å²	44.9	56%	0.561	23%	0.226	S	C	*	.	H	α-helix	trans	-64.3	-39.1	179.4	-70.9	-21.6	0	0	0	112.4	T94 K100 R131	T94-D96 VanDerWaalsContact C-N 3.28Å; T94-D96 PolarHBondContact O-N 2.91Å; D96-K100 VanDerWaalsContact O-CB 3.3Å; D96-K100 WeakPolarHBondContact O-CB 3.21Å; D96-K100 PolarHBondContact O-N 3.25Å; D96-K100 VanDerWaalsContact O-N 3.09Å; D96-R131 IonicContact OD1-CZ 3.43Å; D96-R131 IonicContact OD1-NH1 3.33Å; D96-R131 PolarHBondContact OD1-NH1 3.41Å; D96-R131 IonicContact OD1-NH2 2.72Å; D96-R131 PolarHBondContact OD1-NH2 3.49Å
97	R	98.8	Very high	98.6	Very high	81 Å²	81	45.9 Å²	45.9	31%	0.306	23%	0.23	S	C	.	.	H	α-helix	trans	-61.6	-47.5	174.1	175.5	-158.5	70.2	-164.4	-4.3	110.3	F66 T94 V95 K100 L101	F66-R97 PolarHBondContact O-NH1 3.23Å; T94-R97 VanDerWaalsContact CB-CZ 3.41Å; T94-R97 WeakPolarHBondContact O-CB 3.29Å; T94-R97 PolarHBondContact O-N 3.17Å; T94-R97 VanDerWaalsContact O-N 3.08Å; T94-R97 PolarHBondContact OG1-NH2 3.26Å; V95-R97 VanDerWaalsContact C-N 3.35Å; V95-R97 PolarHBondContact O-N 2.87Å; R97-K100 PolarHBondContact O-N 2.87Å; R97-L101 PolarHBondContact O-N 3.19Å
98	D	98.8	Very high	98.6	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-44.9	-174.2	-61.9	-16	0	0	0	110.9	L65 L87 T94 V95 L101 I102	L65-D98 VanDerWaalsContact CD1-OD1 3.3Å; L65-D98 WeakPolarHBondContact CD1-OD1 3.42Å; L87-D98 HydrophobicContact CD2-CB 4.16Å; T94-D98 VanDerWaalsContact O-CG 3.26Å; T94-D98 PolarHBondContact O-N 3.28Å; V95-D98 PolarHBondContact O-N 3.23Å; D98-L101 PolarHBondContact O-N 2.83Å; D98-I102 WeakPolarHBondContact O-CB 3.48Å; D98-I102 WeakPolarHBondContact O-CD1 3.28Å; D98-I102 VanDerWaalsContact O-CG1 3.24Å; D98-I102 WeakPolarHBondContact O-CG1 3.47Å; D98-I102 PolarHBondContact O-N 2.99Å
99	L	98.7	Very high	98.5	Very high	27 Å²	27	50.2 Å²	50.2	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-47.2	175.9	-73.5	175.8	0	0	0	112	V95 L101 I102 E103 L128 R131 L132	V95-L99 HydrophobicContact CG1-CD1 3.78Å; V95-L99 HydrophobicContact CG1-CG 4.23Å; V95-L99 WeakPolarHBondContact O-CB 3.5Å; V95-L99 WeakPolarHBondContact O-CG 3.35Å; V95-L99 PolarHBondContact O-N 2.96Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.22Å; L99-I102 PolarHBondContact O-N 3.34Å; L99-E103 WeakPolarHBondContact O-CB 3.42Å; L99-E103 PolarHBondContact O-N 2.81Å; L99-L128 HydrophobicContact CD1-CD2 4.32Å; L99-L128 HydrophobicContact CD2-CD2 3.58Å; L99-L128 HydrophobicContact CG-CD2 3.72Å; L99-R131 HydrophobicContact CD1-CB 4.09Å; L99-R131 VanDerWaalsContact CD1-CD 3.5Å; L99-R131 HydrophobicContact CD1-CG 4.47Å; L99-L132 HydrophobicContact CD2-CD1 3.44Å; L99-L132 VanDerWaalsContact CD2-CD1 3.44Å; L99-L132 HydrophobicContact CD2-CD2 3.92Å; L99-L132 HydrophobicContact CD2-CG 3.65Å
100	K	98.7	Very high	98.5	Very high	122 Å²	122	53.4 Å²	53.4	53%	0.53	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-45.7	178.3	178.3	174.5	172.4	176.8	0	111.5	D96 R97 E103 E104	D96-K100 VanDerWaalsContact O-CB 3.3Å; D96-K100 WeakPolarHBondContact O-CB 3.21Å; D96-K100 PolarHBondContact O-N 3.25Å; D96-K100 VanDerWaalsContact O-N 3.09Å; R97-K100 PolarHBondContact O-N 2.87Å; K100-E103 PolarHBondContact O-N 3.22Å; K100-E104 WeakPolarHBondContact CE-OE1 3.31Å; K100-E104 HydrophobicContact CG-CG 4.39Å; K100-E104 IonicContact NZ-OE1 3.83Å; K100-E104 WeakPolarHBondContact O-CB 3.38Å; K100-E104 VanDerWaalsContact O-CG 3.31Å; K100-E104 WeakPolarHBondContact O-CG 3.31Å; K100-E104 PolarHBondContact O-N 3.23Å
101	L	98.8	Very high	98.5	Very high	38 Å²	38	54.2 Å²	54.2	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-43	178.5	179.9	64.2	0	0	0	111.9	L65 L76 R97 D98 L99 E103 E104 L105	L65-L101 HydrophobicContact CD1-CD2 4.03Å; L65-L101 HydrophobicContact CD2-CD2 3.78Å; L65-L101 HydrophobicContact CG-CD2 4.47Å; L76-L101 HydrophobicContact CD2-CD2 4.29Å; R97-L101 PolarHBondContact O-N 3.19Å; D98-L101 PolarHBondContact O-N 2.83Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.22Å; L101-E103 VanDerWaalsContact C-N 3.33Å; L101-E104 PolarHBondContact O-N 2.97Å; L101-L105 HydrophobicContact CD1-CD1 3.66Å; L101-L105 HydrophobicContact CD1-CG 4.07Å; L101-L105 HydrophobicContact CG-CD1 3.79Å; L101-L105 HydrophobicContact CG-CG 4.5Å; L101-L105 WeakPolarHBondContact O-CB 3.33Å; L101-L105 WeakPolarHBondContact O-CG 3.31Å; L101-L105 PolarHBondContact O-N 3.27Å
102	I	98.5	Very high	98.5	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-42.4	178.6	-72.5	165.1	0	0	0	110.7	L76 D98 L99 G106 F107 L109	L76-I102 HydrophobicContact CD1-CD1 4.26Å; L76-I102 HydrophobicContact CD1-CG1 4Å; L76-I102 HydrophobicContact CD2-CG1 4Å; D98-I102 WeakPolarHBondContact O-CB 3.48Å; D98-I102 WeakPolarHBondContact O-CD1 3.28Å; D98-I102 VanDerWaalsContact O-CG1 3.24Å; D98-I102 WeakPolarHBondContact O-CG1 3.47Å; D98-I102 PolarHBondContact O-N 2.99Å; L99-I102 PolarHBondContact O-N 3.34Å; I102-G106 PolarHBondContact O-N 3.38Å; I102-G106 VanDerWaalsContact O-N 3.15Å; I102-F107 HydrophobicContact CG2-CB 4.2Å; I102-F107 VanDerWaalsContact CG2-O 3.31Å; I102-F107 WeakPolarHBondContact CG2-O 3.27Å; I102-F107 PolarHBondContact O-N 3.32Å; I102-L109 HydrophobicContact CD1-CB 4.29Å; I102-L109 HydrophobicContact CD1-CD2 3.93Å; I102-L109 HydrophobicContact CD1-CG 4.47Å; I102-L109 HydrophobicContact CG2-CB 4.39Å
103	E	98.3	Very high	98.5	Very high	159 Å²	159	52.1 Å²	52.1	74%	0.743	26%	0.261	S	S	*	.	H	α-helix	trans	-64.1	-50.6	176.1	-177	179	-165.7	0	0	111.8	L99 K100 L101 L105 G106	L99-E103 WeakPolarHBondContact O-CB 3.42Å; L99-E103 PolarHBondContact O-N 2.81Å; K100-E103 PolarHBondContact O-N 3.22Å; L101-E103 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.74Å; E103-G106 PolarHBondContact O-N 3.02Å
104	E	98.5	Very high	98.6	Very high	130 Å²	130	47.3 Å²	47.3	61%	0.607	24%	0.239	S	C	*	.	H	α-helix	trans	-59.2	-33.8	179.4	-75.8	176.6	172.5	0	0	112.7	K100 L101 G106	K100-E104 WeakPolarHBondContact CE-OE1 3.31Å; K100-E104 HydrophobicContact CG-CG 4.39Å; K100-E104 IonicContact NZ-OE1 3.83Å; K100-E104 WeakPolarHBondContact O-CB 3.38Å; K100-E104 VanDerWaalsContact O-CG 3.31Å; K100-E104 WeakPolarHBondContact O-CG 3.31Å; K100-E104 PolarHBondContact O-N 3.23Å; L101-E104 PolarHBondContact O-N 2.97Å; E104-G106 VanDerWaalsContact C-N 3.35Å
105	L	97.9	Very high	98.6	Very high	51 Å²	51	46.6 Å²	46.6	27%	0.267	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.3	177.7	-64.2	173	0	0	0	113.5	F61 L76 L101 E103 F107	F61-L105 HydrophobicContact CE1-CD1 3.88Å; F61-L105 HydrophobicContact CE2-CD1 4.49Å; F61-L105 HydrophobicContact CZ-CD1 3.54Å; F61-L105 HydrophobicContact CZ-CD2 4.42Å; L76-L105 HydrophobicContact CD2-CD1 4.31Å; L101-L105 HydrophobicContact CD1-CD1 3.66Å; L101-L105 HydrophobicContact CD1-CG 4.07Å; L101-L105 HydrophobicContact CG-CD1 3.79Å; L101-L105 HydrophobicContact CG-CG 4.5Å; L101-L105 WeakPolarHBondContact O-CB 3.33Å; L101-L105 WeakPolarHBondContact O-CG 3.31Å; L101-L105 PolarHBondContact O-N 3.27Å; E103-L105 PolarHBondContact O-N 2.74Å; L105-F107 HydrophobicContact CB-CD2 3.56Å; L105-F107 HydrophobicContact CB-CE2 3.61Å; L105-F107 HydrophobicContact CB-CG 4.39Å; L105-F107 HydrophobicContact CB-CZ 4.46Å; L105-F107 HydrophobicContact CD1-CD2 4.16Å; L105-F107 HydrophobicContact CD1-CE2 3.89Å; L105-F107 HydrophobicContact CG-CE2 4.34Å
106	G	97.8	Very high	98.6	Very high	45 Å²	45	46.4 Å²	46.4	46%	0.464	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	37.7	179.4	0	0	0	0	0	113.4	I102 E103 E104	I102-G106 PolarHBondContact O-N 3.38Å; I102-G106 VanDerWaalsContact O-N 3.15Å; E103-G106 PolarHBondContact O-N 3.02Å; E104-G106 VanDerWaalsContact C-N 3.35Å
107	F	98.4	Very high	98.6	Very high	20 Å²	20	41.7 Å²	41.7	9%	0.088	21%	0.208	C	C	.	.			trans	-98.6	150.1	177.7	-67	-46.9	0	0	0	112.8	F61 L76 A78 R83 A85 I102 L105	F61-F107 HydrophobicContact CB-CZ 4.05Å; F61-F107 HydrophobicContact CD1-CD2 4.49Å; F61-F107 AromaticContact CD1-CE2 3.46Å; F61-F107 HydrophobicContact CD1-CE2 3.46Å; F61-F107 VanDerWaalsContact CD1-CE2 3.46Å; F61-F107 AromaticContact CD1-CZ 3.78Å; F61-F107 HydrophobicContact CD1-CZ 3.78Å; F61-F107 HydrophobicContact CD2-CE2 4.27Å; F61-F107 HydrophobicContact CD2-CZ 4.03Å; F61-F107 HydrophobicContact CE1-CD2 4.48Å; F61-F107 AromaticContact CE1-CE2 3.54Å; F61-F107 HydrophobicContact CE1-CE2 3.54Å; F61-F107 HydrophobicContact CE1-CZ 4.22Å; F61-F107 HydrophobicContact CE2-CE2 4.31Å; F61-F107 HydrophobicContact CE2-CZ 4.43Å; F61-F107 AromaticContact CG-CE2 3.86Å; F61-F107 HydrophobicContact CG-CE2 3.86Å; F61-F107 AromaticContact CG-CZ 3.68Å; F61-F107 HydrophobicContact CG-CZ 3.68Å; F61-F107 AromaticContact CZ-CE2 3.97Å; F61-F107 HydrophobicContact CZ-CE2 3.97Å; L76-F107 HydrophobicContact CD2-CD2 4.48Å; A78-F107 HydrophobicContact CB-CD1 3.6Å; A78-F107 HydrophobicContact CB-CD2 3.91Å; A78-F107 HydrophobicContact CB-CE1 3.54Å; A78-F107 HydrophobicContact CB-CE2 3.84Å; A78-F107 HydrophobicContact CB-CG 3.8Å; A78-F107 HydrophobicContact CB-CZ 3.67Å; R83-F107 HydrophobicContact CB-CD1 4.32Å; R83-F107 CarbonylContact O-C 3.52Å; R83-F107 WeakPolarHBondContact O-CA 3.47Å; A85-F107 HydrophobicContact CB-CB 3.98Å; A85-F107 HydrophobicContact CB-CG 4.48Å; I102-F107 HydrophobicContact CG2-CB 4.2Å; I102-F107 VanDerWaalsContact CG2-O 3.31Å; I102-F107 WeakPolarHBondContact CG2-O 3.27Å; I102-F107 PolarHBondContact O-N 3.32Å; L105-F107 HydrophobicContact CB-CD2 3.56Å; L105-F107 HydrophobicContact CB-CE2 3.61Å; L105-F107 HydrophobicContact CB-CG 4.39Å; L105-F107 HydrophobicContact CB-CZ 4.46Å; L105-F107 HydrophobicContact CD1-CD2 4.16Å; L105-F107 HydrophobicContact CD1-CE2 3.89Å; L105-F107 HydrophobicContact CG-CE2 4.34Å
108	N	98	Very high	98.6	Very high	85 Å²	85	37.9 Å²	37.9	46%	0.455	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	100.5	175.4	-176.8	7.1	0	0	0	109.5	R83 E84 A85 K110	R83-N108 PolarHBondContact O-N 3.48Å; E84-N108 WeakPolarHBondContact CA-O 3.5Å; A85-N108 PolarHBondContact N-O 3.2Å; N108-K110 PolarHBondContact O-N 2.76Å
109	L	98.6	Very high	98.6	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	109.8	179.5	-178.1	64.5	0	0	0	110.9	A85 L87 I102 V111 L132 M135	A85-L109 HydrophobicContact CB-CD1 4.46Å; L87-L109 HydrophobicContact CB-CD1 3.7Å; L87-L109 HydrophobicContact CB-CD2 4.29Å; L87-L109 HydrophobicContact CD2-CD2 4.4Å; I102-L109 HydrophobicContact CD1-CB 4.29Å; I102-L109 HydrophobicContact CD1-CD2 3.93Å; I102-L109 HydrophobicContact CD1-CG 4.47Å; I102-L109 HydrophobicContact CG2-CB 4.39Å; L109-V111 WeakPolarHBondContact CD1-O 3.4Å; L109-L132 HydrophobicContact CB-CD1 4.02Å; L109-L132 HydrophobicContact CD2-CD1 3.85Å; L109-L132 HydrophobicContact CG-CD1 4.42Å; L109-M135 HydrophobicContact CD2-CE 4.42Å; L109-M135 HydrophobicContact CD2-CG 4.24Å; L109-M135 HydrophobicContact CG-CG 4.04Å; L109-M135 WeakPolarHBondContact O-CG 3.3Å
110	K	98.4	Very high	98.6	Very high	70 Å²	70	38.4 Å²	38.4	30%	0.304	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-44.1	-178.4	-58.8	-55	-60.3	179.1	0	112.3	E84 A85 N108 M135 K136	E84-K110 HydrophobicContact CB-CG 3.96Å; E84-K110 HydrophobicContact CG-CD 4.3Å; E84-K110 HydrophobicContact CG-CG 4.05Å; A85-K110 PolarHBondContact O-N 3.4Å; N108-K110 PolarHBondContact O-N 2.76Å; K110-M135 WeakPolarHBondContact O-CA 3.42Å; K110-K136 PolarHBondContact O-N 3.16Å
111	V	98.8	Very high	98.5	Very high	16 Å²	16	32.6 Å²	32.6	10%	0.097	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.5	-174.5	179.3	0	0	0	0	110.2	V86 L87 L109 V113 K136 A138 I149 I157	V86-V111 CarbonylContact C-O 3.57Å; V86-V111 VanDerWaalsContact CA-O 3.22Å; V86-V111 WeakPolarHBondContact CA-O 3.45Å; L87-V111 PolarHBondContact N-O 2.87Å; L109-V111 WeakPolarHBondContact CD1-O 3.4Å; V111-V113 HydrophobicContact CG1-CB 4.34Å; V111-K136 VanDerWaalsContact CA-O 3.31Å; V111-K136 WeakPolarHBondContact CA-O 3.31Å; V111-A138 HydrophobicContact CG1-CB 3.85Å; V111-I149 HydrophobicContact CG2-CD1 4.47Å; V111-I157 HydrophobicContact CB-CG2 3.94Å; V111-I157 HydrophobicContact CG1-CG2 3.92Å; V111-I157 HydrophobicContact CG2-CG2 4.04Å
112	A	98.9	Very high	98.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.1	163.9	0	0	0	0	0	108.7	L87 P90 T125 L128 M135 K136 S137 A138	L87-A112 HydrophobicContact CB-CB 4.45Å; L87-A112 CarbonylContact O-C 3.55Å; L87-A112 VanDerWaalsContact O-CA 3.29Å; L87-A112 WeakPolarHBondContact O-CA 3Å; P90-A112 HydrophobicContact CG-CB 4.36Å; A112-T125 HydrophobicContact CB-CG2 3.85Å; A112-L128 HydrophobicContact CB-CD1 4.21Å; A112-M135 HydrophobicContact CB-CE 3.54Å; A112-M135 HydrophobicContact CB-SD 3.74Å; A112-K136 PolarHBondContact N-O 2.77Å; A112-S137 CarbonylContact O-C 3.55Å; A112-S137 VanDerWaalsContact O-CA 3.31Å; A112-S137 WeakPolarHBondContact O-CA 3.46Å; A112-A138 PolarHBondContact O-N 3Å
113	V	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.9	-170.7	58.9	0	0	0	0	110.8	L87 I88 D89 V111 A138 L151 I157 L179	L87-V113 PolarHBondContact O-N 2.91Å; I88-V113 CarbonylContact C-O 3.57Å; I88-V113 VanDerWaalsContact CA-O 3.32Å; I88-V113 WeakPolarHBondContact CA-O 3.41Å; I88-V113 HydrophobicContact CB-CG1 4.25Å; I88-V113 HydrophobicContact CG1-CG1 3.81Å; I88-V113 HydrophobicContact CG2-CG1 4.33Å; D89-V113 PolarHBondContact N-O 3.23Å; V111-V113 HydrophobicContact CG1-CB 4.34Å; V113-A138 WeakPolarHBondContact CA-O 3.37Å; V113-A138 HydrophobicContact CB-CB 4.06Å; V113-A138 HydrophobicContact CG2-CB 3.99Å; V113-L151 HydrophobicContact CG2-CD1 3.75Å; V113-I157 HydrophobicContact CB-CD1 4.03Å; V113-I157 HydrophobicContact CG1-CD1 4.12Å; V113-I157 HydrophobicContact CG2-CD1 3.83Å; V113-L179 HydrophobicContact CB-CD1 4.45Å; V113-L179 HydrophobicContact CG1-CD1 3.58Å; V113-L179 HydrophobicContact CG2-CD1 3.96Å
114	N	98.9	Very high	98.6	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	13%	0.13	C	C	.	.			trans	-102.2	138.4	167.7	-66.9	-74.7	0	0	0	110.5	D89 H116 T123 T125 A138 I139	D89-N114 WeakPolarHBondContact OD1-CA 3.41Å; N114-H116 VanDerWaalsContact C-N 3.28Å; N114-H116 WeakPolarHBondContact CB-O 3.45Å; N114-T123 PolarHBondContact ND2-OG1 3.17Å; N114-T123 PolarHBondContact OD1-OG1 3.33Å; N114-T125 VanDerWaalsContact ND2-CG2 3.33Å; N114-T125 WeakPolarHBondContact ND2-CG2 3.46Å; N114-A138 PolarHBondContact N-O 3.21Å; N114-I139 HydrophobicContact CB-CD1 3.95Å; N114-I139 HydrophobicContact CB-CG1 4.2Å
115	T	98.9	Very high	98.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.101	C	C	.	.	S	Bend	trans	-68.9	-29.1	174	54.6	0	0	0	0	112	I88 D89 C176 V177 L179 G190	I88-T115 HydrophobicContact CG2-CG2 3.88Å; D89-T115 PolarHBondContact OD1-N 2.93Å; D89-T115 PolarHBondContact OD1-OG1 3.39Å; D89-T115 WeakPolarHBondContact OD2-CB 3.36Å; D89-T115 WeakPolarHBondContact OD2-CG2 3.13Å; D89-T115 PolarHBondContact OD2-OG1 3.44Å; T115-C176 WeakPolarHBondContact O-CA 3.37Å; T115-V177 WeakPolarHBondContact O-CG2 3.3Å; T115-V177 PolarHBondContact O-N 3.05Å; T115-L179 HydrophobicContact CG2-CD1 4.45Å; T115-G190 WeakPolarHBondContact OG1-CA 3.46Å
116	H	98.9	Very high	98.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.089	C	C	.	.	S	Bend	trans	-162.5	178.6	175.4	64.9	-68.7	0	0	0	111.1	N114 H118 H172 C176 D191	N114-H116 VanDerWaalsContact C-N 3.28Å; N114-H116 WeakPolarHBondContact CB-O 3.45Å; H116-H118 AromaticContact CE1-CE1 3.24Å; H116-H118 PolarHBondContact CE1-CE1 2.93Å; H116-H118 AromaticContact CE1-ND1 3.07Å; H116-H118 PolarHBondContact CE1-ND1 3.38Å; H116-H118 AromaticContact ND1-CE1 3.53Å; H116-H118 AromaticContact ND1-ND1 3.72Å; H116-H118 AromaticContact NE2-ND1 3.42Å; H116-H118 PolarHBondContact NE2-ND1 3.46Å; H116-H118 PolarHBondContact O-CD2 3.44Å; H116-H118 PolarHBondContact O-N 3.41Å; H116-H172 AromaticContact CD2-CD2 3.56Å; H116-H172 AromaticContact CD2-NE2 3.68Å; H116-H172 AromaticContact NE2-CD2 3.52Å; H116-H172 AromaticContact NE2-NE2 3.4Å; H116-H172 PolarHBondContact NE2-NE2 2.96Å; H116-C176 HydrophobicContact CB-CB 4.37Å; H116-C176 VanDerWaalsContact CB-SG 3.54Å; H116-D191 IonicContact NE2-OD2 2.81Å
117	C	98.7	Very high	98.6	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.034	8%	0.081	C	C	.	.			trans	-79.2	102.2	170.3	-174.5	0	0	0	0	108.8	Q204 N281	C117-Q204 PolarHBondContact O-NE2 3.3Å; C117-N281 VanDerWaalsContact SG-CB 3.55Å
118	H	98.8	Very high	98.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.077	C	C	.	.			trans	-67.3	150.9	-175.1	-62.3	-81.2	0	0	0	112.5	D89 H116 H121 N281	D89-H118 VanDerWaalsContact CG-NE2 3.29Å; D89-H118 IonicContact OD1-CE1 3.94Å; D89-H118 PolarHBondContact OD1-CE1 2.76Å; D89-H118 IonicContact OD1-NE2 2.76Å; D89-H118 PolarHBondContact OD1-NE2 2.91Å; D89-H118 IonicContact OD2-CE1 2.63Å; D89-H118 IonicContact OD2-NE2 2.96Å; H116-H118 AromaticContact CE1-CE1 3.24Å; H116-H118 PolarHBondContact CE1-CE1 2.93Å; H116-H118 AromaticContact CE1-ND1 3.07Å; H116-H118 PolarHBondContact CE1-ND1 3.38Å; H116-H118 AromaticContact ND1-CE1 3.53Å; H116-H118 AromaticContact ND1-ND1 3.72Å; H116-H118 AromaticContact NE2-ND1 3.42Å; H116-H118 PolarHBondContact NE2-ND1 3.46Å; H116-H118 PolarHBondContact O-CD2 3.44Å; H116-H118 PolarHBondContact O-N 3.41Å; H118-H121 AromaticContact CD2-CE1 3.52Å; H118-H121 AromaticContact CD2-NE2 3.45Å; H118-H121 PolarHBondContact CD2-NE2 3.25Å; H118-H121 AromaticContact CE1-CE1 3.71Å; H118-H121 AromaticContact CG-CE1 3.18Å; H118-H121 AromaticContact CG-ND1 3.97Å; H118-H121 AromaticContact CG-NE2 3.56Å; H118-H121 AromaticContact ND1-CE1 3.34Å; H118-H121 PolarHBondContact ND1-CE1 3.39Å; H118-H121 VanDerWaalsContact ND1-CE1 3.34Å; H118-H121 AromaticContact NE2-CE1 3.83Å; H118-H121 AromaticContact NE2-NE2 3.92Å; H118-N281 PolarHBondContact O-ND2 3.36Å
119	A	98.5	Very high	98.4	Very high	7 Å²	7	13.6 Å²	13.6	6%	0.058	7%	0.066	C	C	.	.	S	Bend	trans	-114.6	-8.1	179.5	0	0	0	0	0	113.8	K273 I274 V278	A119-K273 CarbonylContact O-C 3.5Å; A119-K273 VanDerWaalsContact O-C 3.23Å; A119-I274 HydrophobicContact CB-CB 4.16Å; A119-I274 HydrophobicContact CB-CD1 4.16Å; A119-I274 HydrophobicContact CB-CG1 3.78Å; A119-I274 VanDerWaalsContact O-CA 3.31Å; A119-I274 WeakPolarHBondContact O-CA 3.37Å; A119-I274 PolarHBondContact O-N 3.28Å; A119-I274 VanDerWaalsContact O-N 3.14Å; A119-V278 HydrophobicContact CB-CG2 3.98Å
120	D	98.4	Very high	98.3	Very high	33 Å²	33	18.6 Å²	18.6	18%	0.176	9%	0.093	C	C	.	.	S	Bend	trans	-108.9	-17.5	-172	57.9	-76.8	0	0	0	112.6	S70 T72 H232 K273	S70-D120 WeakPolarHBondContact CB-OD2 3.5Å; T72-D120 PolarHBondContact OG1-OD2 2.91Å; D120-H232 IonicContact OD1-CE1 3.92Å; D120-H232 IonicContact OD1-NE2 3.49Å; D120-H232 IonicContact OD2-CD2 2.63Å; D120-H232 IonicContact OD2-CE1 3.54Å; D120-H232 IonicContact OD2-NE2 3.36Å; D120-H232 PolarHBondContact OD2-NE2 2.88Å; D120-K273 WeakPolarHBondContact O-CD 3.34Å
121	H	98.6	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.103	C	C	.	.	S	Bend	trans	-149.1	163.1	175.3	68.8	-89.7	0	0	0	112	T72 V91 H118 A277 N281	T72-H121 PolarHBondContact OG1-ND1 2.81Å; V91-H121 HydrophobicContact CG1-CB 3.96Å; H118-H121 AromaticContact CD2-CE1 3.52Å; H118-H121 AromaticContact CD2-NE2 3.45Å; H118-H121 PolarHBondContact CD2-NE2 3.25Å; H118-H121 AromaticContact CE1-CE1 3.71Å; H118-H121 AromaticContact CG-CE1 3.18Å; H118-H121 AromaticContact CG-ND1 3.97Å; H118-H121 AromaticContact CG-NE2 3.56Å; H118-H121 AromaticContact ND1-CE1 3.34Å; H118-H121 PolarHBondContact ND1-CE1 3.39Å; H118-H121 VanDerWaalsContact ND1-CE1 3.34Å; H118-H121 AromaticContact NE2-CE1 3.83Å; H118-H121 AromaticContact NE2-NE2 3.92Å; H121-A277 WeakPolarHBondContact O-CB 3.33Å; H121-N281 PolarHBondContact O-ND2 3.07Å
122	I	98.7	Very high	98.1	Very high	14 Å²	14	23.3 Å²	23.3	7%	0.072	11%	0.111	C	C	.	.			trans	-90.6	132	171.5	-59.8	168.8	0	0	0	108.2	L92 I276 A280 N281 V289	L92-I122 HydrophobicContact CB-CB 4.1Å; L92-I122 HydrophobicContact CB-CG2 4.2Å; L92-I122 VanDerWaalsContact CB-O 3.27Å; L92-I122 WeakPolarHBondContact CB-O 3.32Å; L92-I122 HydrophobicContact CD2-CB 4Å; L92-I122 HydrophobicContact CD2-CD1 4.21Å; L92-I122 HydrophobicContact CD2-CG2 3.86Å; L92-I122 PolarHBondContact N-O 2.92Å; I122-I276 HydrophobicContact CD1-CG2 4.3Å; I122-A280 HydrophobicContact CD1-CB 4.18Å; I122-A280 HydrophobicContact CG1-CB 3.99Å; I122-A280 HydrophobicContact CG2-CB 3.94Å; I122-N281 WeakPolarHBondContact CA-OD1 3.36Å; I122-V289 HydrophobicContact CD1-CG2 3.85Å
123	T	98.8	Very high	97.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-64.4	139.9	179.6	-171.5	0	0	0	0	111.7	P90 N114 T125 N281	P90-T123 CarbonylContact O-C 3.55Å; P90-T123 WeakPolarHBondContact O-CA 3.33Å; P90-T123 PolarHBondContact O-OG1 3.34Å; N114-T123 PolarHBondContact ND2-OG1 3.17Å; N114-T123 PolarHBondContact OD1-OG1 3.33Å; T123-T125 VanDerWaalsContact C-N 3.28Å; T123-T125 VanDerWaalsContact CG2-OG1 3.28Å; T123-T125 WeakPolarHBondContact CG2-OG1 2.85Å; T123-T125 PolarHBondContact O-N 2.85Å; T123-T125 PolarHBondContact OG1-N 2.99Å; T123-T125 PolarHBondContact OG1-OG1 2.84Å; T123-N281 WeakPolarHBondContact CG2-OD1 3.47Å; T123-N281 PolarHBondContact N-OD1 2.99Å
124	G	98.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-79.4	-5.4	174.2	0	0	0	0	0	114.1	P90 G126 Q127 L128	P90-G124 PolarHBondContact O-N 2.97Å; G124-G126 VanDerWaalsContact C-N 3.34Å; G124-G126 PolarHBondContact O-N 2.84Å; G124-Q127 PolarHBondContact O-N 2.9Å; G124-L128 WeakPolarHBondContact O-CB 3.49Å; G124-L128 WeakPolarHBondContact O-CG 3.34Å; G124-L128 PolarHBondContact O-N 2.84Å
125	T	98.5	Very high	97.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-40.8	-172.4	50.1	0	0	0	0	113.4	P90 A112 N114 T123 K129 C284	P90-T125 HydrophobicContact CG-CG2 3.71Å; A112-T125 HydrophobicContact CB-CG2 3.85Å; N114-T125 VanDerWaalsContact ND2-CG2 3.33Å; N114-T125 WeakPolarHBondContact ND2-CG2 3.46Å; T123-T125 VanDerWaalsContact C-N 3.28Å; T123-T125 VanDerWaalsContact CG2-OG1 3.28Å; T123-T125 WeakPolarHBondContact CG2-OG1 2.85Å; T123-T125 PolarHBondContact O-N 2.85Å; T123-T125 PolarHBondContact OG1-N 2.99Å; T123-T125 PolarHBondContact OG1-OG1 2.84Å; T125-K129 VanDerWaalsContact O-CG 3.29Å; T125-K129 WeakPolarHBondContact O-CG 3.28Å; T125-K129 PolarHBondContact O-N 2.62Å; T125-C284 PolarHBondContact OG1-SG 2.68Å
126	G	97.6	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-47.4	178.4	0	0	0	0	0	112.8	G124 K129 N130 C284	G124-G126 VanDerWaalsContact C-N 3.34Å; G124-G126 PolarHBondContact O-N 2.84Å; G126-K129 WeakPolarHBondContact O-CB 3.34Å; G126-K129 PolarHBondContact O-N 2.71Å; G126-N130 PolarHBondContact O-N 2.79Å; G126-N130 VanDerWaalsContact O-N 3.14Å; G126-C284 WeakPolarHBondContact CA-O 3.25Å; G126-C284 PolarHBondContact N-O 2.93Å
127	Q	97.9	Very high	97.4	Very high	67 Å²	67	40.7 Å²	40.7	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-65.2	-41	177.1	-75.4	-61.5	-32.6	0	0	112.5	L92 V95 G124 K129 N130 R131	L92-Q127 HydrophobicContact CD1-CB 4.15Å; L92-Q127 HydrophobicContact CD1-CG 3.28Å; V95-Q127 HydrophobicContact CG1-CB 4.22Å; V95-Q127 HydrophobicContact CG2-CB 4.09Å; G124-Q127 PolarHBondContact O-N 2.9Å; Q127-K129 VanDerWaalsContact C-N 3.31Å; Q127-K129 PolarHBondContact O-N 3.33Å; Q127-N130 PolarHBondContact O-N 3.17Å; Q127-R131 WeakPolarHBondContact O-CG 3.45Å; Q127-R131 PolarHBondContact O-N 3.07Å
128	L	98.3	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-42.3	175.7	-71.9	165.5	0	0	0	111.2	L87 P90 V95 L99 A112 G124 N130 R131 L132 M135	L87-L128 HydrophobicContact CD2-CD1 3.85Å; P90-L128 HydrophobicContact CB-CD1 3.78Å; P90-L128 HydrophobicContact CG-CD1 3.93Å; V95-L128 HydrophobicContact CG1-CD2 3.84Å; V95-L128 HydrophobicContact CG1-CG 4.12Å; V95-L128 HydrophobicContact CG2-CG 4.15Å; L99-L128 HydrophobicContact CD1-CD2 4.32Å; L99-L128 HydrophobicContact CD2-CD2 3.58Å; L99-L128 HydrophobicContact CG-CD2 3.72Å; A112-L128 HydrophobicContact CB-CD1 4.21Å; G124-L128 WeakPolarHBondContact O-CB 3.49Å; G124-L128 WeakPolarHBondContact O-CG 3.34Å; G124-L128 PolarHBondContact O-N 2.84Å; L128-N130 VanDerWaalsContact C-N 3.33Å; L128-N130 PolarHBondContact O-N 3.42Å; L128-R131 PolarHBondContact O-N 3.3Å; L128-L132 WeakPolarHBondContact O-CB 3.29Å; L128-L132 PolarHBondContact O-N 2.82Å; L128-M135 HydrophobicContact CB-CE 3.19Å; L128-M135 HydrophobicContact CD1-CE 4.3Å; L128-M135 HydrophobicContact CG-CE 4.35Å
129	K	95.2	Very high	97.4	Very high	52 Å²	52	40.8 Å²	40.8	23%	0.226	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-40.2	176.2	-77.3	173.1	58.9	169	0	112.9	T125 G126 Q127 R131 M135 S137 D148	T125-K129 VanDerWaalsContact O-CG 3.29Å; T125-K129 WeakPolarHBondContact O-CG 3.28Å; T125-K129 PolarHBondContact O-N 2.62Å; G126-K129 WeakPolarHBondContact O-CB 3.34Å; G126-K129 PolarHBondContact O-N 2.71Å; Q127-K129 VanDerWaalsContact C-N 3.31Å; Q127-K129 PolarHBondContact O-N 3.33Å; K129-R131 PolarHBondContact O-N 3.45Å; K129-M135 HydrophobicContact CG-CE 3.84Å; K129-M135 HydrophobicContact CG-SD 4.03Å; K129-S137 PolarHBondContact NZ-OG 3.01Å; K129-D148 WeakPolarHBondContact CD-OD2 3.18Å; K129-D148 WeakPolarHBondContact CE-OD2 3.42Å; K129-D148 IonicContact NZ-OD1 3.57Å; K129-D148 PolarHBondContact NZ-OD1 2.83Å; K129-D148 IonicContact NZ-OD2 3.34Å; K129-D148 PolarHBondContact NZ-OD2 3.14Å
130	N	95.4	Very high	97.5	Very high	112 Å²	112	40.5 Å²	40.5	60%	0.599	20%	0.197	S	C	*	.	H	α-helix	trans	-66	-25.2	178.8	-70.2	-15.3	0	0	0	112.5	G126 Q127 L128	G126-N130 PolarHBondContact O-N 2.79Å; G126-N130 VanDerWaalsContact O-N 3.14Å; Q127-N130 PolarHBondContact O-N 3.17Å; L128-N130 VanDerWaalsContact C-N 3.33Å; L128-N130 PolarHBondContact O-N 3.42Å
131	R	96.9	Very high	97.5	Very high	136 Å²	136	43.6 Å²	43.6	51%	0.513	21%	0.209	S	C	.	.	H	α-helix	trans	-100.8	-23.5	-176.4	-64.4	-179.8	-179.3	-152.1	16.1	113.8	D96 L99 Q127 L128 K129	D96-R131 IonicContact OD1-CZ 3.43Å; D96-R131 IonicContact OD1-NH1 3.33Å; D96-R131 PolarHBondContact OD1-NH1 3.41Å; D96-R131 IonicContact OD1-NH2 2.72Å; D96-R131 PolarHBondContact OD1-NH2 3.49Å; L99-R131 HydrophobicContact CD1-CB 4.09Å; L99-R131 VanDerWaalsContact CD1-CD 3.5Å; L99-R131 HydrophobicContact CD1-CG 4.47Å; Q127-R131 WeakPolarHBondContact O-CG 3.45Å; Q127-R131 PolarHBondContact O-N 3.07Å; L128-R131 PolarHBondContact O-N 3.3Å; K129-R131 PolarHBondContact O-N 3.45Å
132	L	96.3	Very high	97.5	Very high	50 Å²	50	47.8 Å²	47.8	26%	0.262	23%	0.229	S	C	.	.	S	Bend	trans	-118.4	100.6	-177.8	-64.6	178.6	0	0	0	111	L99 L109 L128 G134 M135	L99-L132 HydrophobicContact CD2-CD1 3.44Å; L99-L132 VanDerWaalsContact CD2-CD1 3.44Å; L99-L132 HydrophobicContact CD2-CD2 3.92Å; L99-L132 HydrophobicContact CD2-CG 3.65Å; L109-L132 HydrophobicContact CB-CD1 4.02Å; L109-L132 HydrophobicContact CD2-CD1 3.85Å; L109-L132 HydrophobicContact CG-CD1 4.42Å; L128-L132 WeakPolarHBondContact O-CB 3.29Å; L128-L132 PolarHBondContact O-N 2.82Å; L132-G134 PolarHBondContact O-N 3.42Å; L132-M135 HydrophobicContact CB-CB 3.94Å; L132-M135 WeakPolarHBondContact O-CB 3.35Å; L132-M135 PolarHBondContact O-N 3.24Å
133	F	93.2	Very high	97.5	Very high	220 Å²	220	48 Å²	48	97%	0.965	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	128.4	178.5	-176.3	-99.7	0	0	0	111.6	M135	F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.43Å
134	G	93.2	Very high	97.4	Very high	45 Å²	45	50.9 Å²	50.9	46%	0.464	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-3.9	177.4	0	0	0	0	0	115.5	L132	L132-G134 PolarHBondContact O-N 3.42Å
135	M	97.2	Very high	97.4	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.044	26%	0.264	C	S	.	.			trans	-68	143.3	168.5	-169.1	-81	-93.2	0	0	110.1	L109 K110 A112 L128 K129 L132 F133	L109-M135 HydrophobicContact CD2-CE 4.42Å; L109-M135 HydrophobicContact CD2-CG 4.24Å; L109-M135 HydrophobicContact CG-CG 4.04Å; L109-M135 WeakPolarHBondContact O-CG 3.3Å; K110-M135 WeakPolarHBondContact O-CA 3.42Å; A112-M135 HydrophobicContact CB-CE 3.54Å; A112-M135 HydrophobicContact CB-SD 3.74Å; L128-M135 HydrophobicContact CB-CE 3.19Å; L128-M135 HydrophobicContact CD1-CE 4.3Å; L128-M135 HydrophobicContact CG-CE 4.35Å; K129-M135 HydrophobicContact CG-CE 3.84Å; K129-M135 HydrophobicContact CG-SD 4.03Å; L132-M135 HydrophobicContact CB-CB 3.94Å; L132-M135 WeakPolarHBondContact O-CB 3.35Å; L132-M135 PolarHBondContact O-N 3.24Å; F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.43Å
136	K	98.6	Very high	97.3	Very high	98 Å²	98	54.8 Å²	54.8	43%	0.426	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.8	179.3	-63.6	-70.1	176.8	-179.5	0	111.8	K110 V111 A112 D148 I149	K110-K136 PolarHBondContact O-N 3.16Å; V111-K136 VanDerWaalsContact CA-O 3.31Å; V111-K136 WeakPolarHBondContact CA-O 3.31Å; A112-K136 PolarHBondContact N-O 2.77Å; K136-D148 WeakPolarHBondContact CA-OD2 3.25Å; K136-D148 HydrophobicContact CB-CB 4.2Å; K136-D148 HydrophobicContact CD-CB 3.59Å; K136-I149 HydrophobicContact CB-CD1 3.77Å; K136-I149 HydrophobicContact CB-CG1 4.28Å; K136-I149 HydrophobicContact CG-CD1 4.34Å
137	S	98.8	Very high	97.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.8	166	61.8	0	0	0	0	110.6	A112 K129 A147 D148 I149 C284	A112-S137 CarbonylContact O-C 3.55Å; A112-S137 VanDerWaalsContact O-CA 3.31Å; A112-S137 WeakPolarHBondContact O-CA 3.46Å; K129-S137 PolarHBondContact NZ-OG 3.01Å; S137-A147 WeakPolarHBondContact OG-CA 3.21Å; S137-D148 PolarHBondContact N-OD2 2.97Å; S137-D148 PolarHBondContact O-N 2.92Å; S137-D148 VanDerWaalsContact O-N 3.1Å; S137-D148 PolarHBondContact OG-N 2.85Å; S137-D148 PolarHBondContact OG-OD2 2.82Å; S137-I149 PolarHBondContact O-N 3.1Å; S137-C284 PolarHBondContact OG-SG 2.93Å
138	A	98.9	Very high	97.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.6	175.6	0	0	0	0	0	111.8	V111 A112 V113 N114 I149 L151	V111-A138 HydrophobicContact CG1-CB 3.85Å; A112-A138 PolarHBondContact O-N 3Å; V113-A138 WeakPolarHBondContact CA-O 3.37Å; V113-A138 HydrophobicContact CB-CB 4.06Å; V113-A138 HydrophobicContact CG2-CB 3.99Å; N114-A138 PolarHBondContact N-O 3.21Å; A138-I149 WeakPolarHBondContact CA-O 3.32Å; A138-I149 HydrophobicContact CB-CB 3.93Å; A138-I149 HydrophobicContact CB-CG2 4.37Å; A138-L151 HydrophobicContact CB-CD1 3.99Å; A138-L151 HydrophobicContact CB-CG 4.28Å
139	I	98.9	Very high	97.4	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	162.5	172.6	-159.6	163.2	0	0	0	109.6	N114 A145 A147 I149 L150 L151	N114-I139 HydrophobicContact CB-CD1 3.95Å; N114-I139 HydrophobicContact CB-CG1 4.2Å; I139-A145 HydrophobicContact CD1-CB 3.96Å; I139-A145 HydrophobicContact CG2-CB 4.25Å; I139-A147 HydrophobicContact CB-CB 4.3Å; I139-A147 HydrophobicContact CG2-CB 3.63Å; I139-I149 PolarHBondContact N-O 2.76Å; I139-I149 VanDerWaalsContact N-O 3.1Å; I139-L150 HydrophobicContact CG2-CD2 4.21Å; I139-L150 CarbonylContact O-C 3.02Å; I139-L150 WeakPolarHBondContact O-CA 3.47Å; I139-L151 PolarHBondContact O-N 3.45Å
140	S	98.8	Very high	97.6	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	138.6	174.9	177.7	0	0	0	0	112.3	H142 S143 G175	S140-H142 PolarHBondContact O-N 3.05Å; S140-H142 VanDerWaalsContact O-N 3.15Å; S140-H142 PolarHBondContact OG-N 2.93Å; S140-H142 VanDerWaalsContact OG-N 3.14Å; S140-S143 WeakPolarHBondContact O-CB 3.32Å; S140-S143 PolarHBondContact O-N 3.4Å; S140-S143 VanDerWaalsContact O-N 3.08Å; S140-S143 PolarHBondContact O-OG 3.14Å; S140-G175 WeakPolarHBondContact CB-O 3.45Å
141	K	98.7	Very high	97.7	Very high	99 Å²	99	56.1 Å²	56.1	43%	0.43	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-59.4	-22.9	171.2	73.7	-178.9	174.6	-160.3	0	113.1	S143 L150 L151 S152	K141-S143 VanDerWaalsContact C-N 3.34Å; K141-L150 HydrophobicContact CB-CB 3.98Å; K141-L151 PolarHBondContact N-O 2.74Å; K141-S152 VanDerWaalsContact CD-OG 3.3Å; K141-S152 WeakPolarHBondContact CD-OG 3.3Å; K141-S152 VanDerWaalsContact CE-OG 3.3Å; K141-S152 WeakPolarHBondContact CE-OG 3.33Å; K141-S152 PolarHBondContact NZ-OG 2.98Å
142	H	98.6	Very high	97.8	Very high	89 Å²	89	51 Å²	51	41%	0.412	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-86.9	-3.3	-179.5	-63.5	-65.3	0	0	0	113.4	S140 G144 E168 D174	S140-H142 PolarHBondContact O-N 3.05Å; S140-H142 VanDerWaalsContact O-N 3.15Å; S140-H142 PolarHBondContact OG-N 2.93Å; S140-H142 VanDerWaalsContact OG-N 3.14Å; H142-G144 VanDerWaalsContact C-N 3.32Å; H142-G144 PolarHBondContact O-N 2.94Å; H142-E168 IonicContact CD2-OE1 3.7Å; H142-E168 IonicContact CD2-OE2 3.42Å; H142-E168 IonicContact NE2-OE1 2.66Å; H142-E168 IonicContact NE2-OE2 3.1Å; H142-D174 WeakPolarHBondContact CB-O 3.47Å
143	S	98.3	Very high	97.9	Very high	17 Å²	17	52.3 Å²	52.3	12%	0.119	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-75.7	-18.4	179.7	66.9	0	0	0	0	114.3	S140 K141 A145	S140-S143 WeakPolarHBondContact O-CB 3.32Å; S140-S143 PolarHBondContact O-N 3.4Å; S140-S143 VanDerWaalsContact O-N 3.08Å; S140-S143 PolarHBondContact O-OG 3.14Å; K141-S143 VanDerWaalsContact C-N 3.34Å; S143-A145 PolarHBondContact O-N 3.19Å; S143-A145 WeakPolarHBondContact OG-CB 3.22Å; S143-A145 PolarHBondContact OG-N 3.09Å; S143-A145 VanDerWaalsContact OG-N 3.17Å
144	G	97.3	Very high	98.2	Very high	63 Å²	63	43.8 Å²	43.8	65%	0.649	27%	0.268	S	S	*	.			trans	71.1	-2.3	-169.6	0	0	0	0	0	114.4	H142	H142-G144 VanDerWaalsContact C-N 3.32Å; H142-G144 PolarHBondContact O-N 2.94Å
145	A	98.1	Very high	98.5	Very high	8 Å²	8	44.7 Å²	44.7	7%	0.066	26%	0.262	C	S	.	.			trans	-87.9	153.6	-179.9	0	0	0	0	0	112.3	I139 S143 L282	I139-A145 HydrophobicContact CD1-CB 3.96Å; I139-A145 HydrophobicContact CG2-CB 4.25Å; S143-A145 PolarHBondContact O-N 3.19Å; S143-A145 WeakPolarHBondContact OG-CB 3.22Å; S143-A145 PolarHBondContact OG-N 3.09Å; S143-A145 VanDerWaalsContact OG-N 3.17Å; A145-L282 CarbonylContact C-O 3.55Å; A145-L282 WeakPolarHBondContact CA-O 3.2Å; A145-L282 HydrophobicContact CB-CD2 4.21Å
146	S	97.6	Very high	98.5	Very high	76 Å²	76	50.8 Å²	50.8	53%	0.531	29%	0.288	S	S	.	.			trans	-82.5	137	174.3	-59.2	0	0	0	0	111.3	L282 C284	S146-L282 PolarHBondContact N-O 3.05Å; S146-C284 WeakPolarHBondContact O-CB 3.42Å
147	A	98.4	Very high	98.5	Very high	28 Å²	28	46.6 Å²	46.6	23%	0.231	27%	0.27	C	S	.	.			trans	-154.2	169	170.2	0	0	0	0	0	110.3	S137 I139 I149 L150	S137-A147 WeakPolarHBondContact OG-CA 3.21Å; I139-A147 HydrophobicContact CB-CB 4.3Å; I139-A147 HydrophobicContact CG2-CB 3.63Å; A147-I149 VanDerWaalsContact C-N 3.3Å; A147-L150 HydrophobicContact CB-CD2 4.48Å
148	D	98.6	Very high	98.5	Very high	67 Å²	67	50.2 Å²	50.2	36%	0.358	30%	0.296	S	S	.	.	S	Bend	trans	-71	-29.9	174.5	-54.9	-57.3	0	0	0	112.2	K129 K136 S137	K129-D148 WeakPolarHBondContact CD-OD2 3.18Å; K129-D148 WeakPolarHBondContact CE-OD2 3.42Å; K129-D148 IonicContact NZ-OD1 3.57Å; K129-D148 PolarHBondContact NZ-OD1 2.83Å; K129-D148 IonicContact NZ-OD2 3.34Å; K129-D148 PolarHBondContact NZ-OD2 3.14Å; K136-D148 WeakPolarHBondContact CA-OD2 3.25Å; K136-D148 HydrophobicContact CB-CB 4.2Å; K136-D148 HydrophobicContact CD-CB 3.59Å; S137-D148 PolarHBondContact N-OD2 2.97Å; S137-D148 PolarHBondContact O-N 2.92Å; S137-D148 VanDerWaalsContact O-N 3.1Å; S137-D148 PolarHBondContact OG-N 2.85Å; S137-D148 PolarHBondContact OG-OD2 2.82Å
149	I	98.8	Very high	98.5	Very high	63 Å²	63	50.2 Å²	50.2	32%	0.323	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122	-179.6	-56.9	170.3	0	0	0	108.6	V111 K136 S137 A138 I139 A147 L151	V111-I149 HydrophobicContact CG2-CD1 4.47Å; K136-I149 HydrophobicContact CB-CD1 3.77Å; K136-I149 HydrophobicContact CB-CG1 4.28Å; K136-I149 HydrophobicContact CG-CD1 4.34Å; S137-I149 PolarHBondContact O-N 3.1Å; A138-I149 WeakPolarHBondContact CA-O 3.32Å; A138-I149 HydrophobicContact CB-CB 3.93Å; A138-I149 HydrophobicContact CB-CG2 4.37Å; I139-I149 PolarHBondContact N-O 2.76Å; I139-I149 VanDerWaalsContact N-O 3.1Å; A147-I149 VanDerWaalsContact C-N 3.3Å; I149-L151 HydrophobicContact CG2-CD2 3.84Å; I149-L151 HydrophobicContact CG2-CG 4.36Å
150	L	98.8	Very high	98.4	Very high	96 Å²	96	51.4 Å²	51.4	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.7	173	-62.9	-178.7	0	0	0	109.6	I139 K141 A147	I139-L150 HydrophobicContact CG2-CD2 4.21Å; I139-L150 CarbonylContact O-C 3.02Å; I139-L150 WeakPolarHBondContact O-CA 3.47Å; K141-L150 HydrophobicContact CB-CB 3.98Å; A147-L150 HydrophobicContact CB-CD2 4.48Å
151	L	98.8	Very high	98.2	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	147.3	-173.8	-60.7	168.2	0	0	0	111.9	V113 A138 I139 K141 I149 D155 I157 V166	V113-L151 HydrophobicContact CG2-CD1 3.75Å; A138-L151 HydrophobicContact CB-CD1 3.99Å; A138-L151 HydrophobicContact CB-CG 4.28Å; I139-L151 PolarHBondContact O-N 3.45Å; K141-L151 PolarHBondContact N-O 2.74Å; I149-L151 HydrophobicContact CG2-CD2 3.84Å; I149-L151 HydrophobicContact CG2-CG 4.36Å; L151-D155 HydrophobicContact CD2-CB 4.29Å; L151-I157 HydrophobicContact CD1-CD1 3.91Å; L151-I157 HydrophobicContact CD2-CD1 4.33Å; L151-I157 HydrophobicContact CD2-CG1 4.1Å; L151-V166 HydrophobicContact CB-CG1 4.47Å; L151-V166 HydrophobicContact CB-CG2 4.19Å; L151-V166 HydrophobicContact CD1-CG2 4.1Å; L151-V166 HydrophobicContact CD2-CG2 4.16Å; L151-V166 HydrophobicContact CG-CG2 4.38Å
152	S	98.8	Very high	98.2	Very high	27 Å²	27	53.2 Å²	53.2	19%	0.189	32%	0.317	C	S	.	.			trans	-126.8	167.1	171.5	-54.1	0	0	0	0	111.3	K141 G154 D155 V166 E168	K141-S152 VanDerWaalsContact CD-OG 3.3Å; K141-S152 WeakPolarHBondContact CD-OG 3.3Å; K141-S152 VanDerWaalsContact CE-OG 3.3Å; K141-S152 WeakPolarHBondContact CE-OG 3.33Å; K141-S152 PolarHBondContact NZ-OG 2.98Å; S152-G154 PolarHBondContact O-N 3.48Å; S152-D155 PolarHBondContact N-OD2 2.77Å; S152-D155 WeakPolarHBondContact O-CB 3.37Å; S152-D155 PolarHBondContact O-N 3.05Å; S152-D155 VanDerWaalsContact O-N 3.15Å; S152-V166 WeakPolarHBondContact O-CB 3.49Å; S152-V166 WeakPolarHBondContact O-CG1 3.46Å; S152-E168 WeakPolarHBondContact CA-OE1 3.38Å
153	E	98.8	Very high	98.2	Very high	78 Å²	78	50.3 Å²	50.3	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	128.5	169	178.7	74	-176.6	0	0	112.1	D155 R167 E168 K218	E153-D155 VanDerWaalsContact C-N 3.26Å; E153-D155 PolarHBondContact O-N 3.45Å; E153-R167 WeakPolarHBondContact OE2-CA 3.43Å; E153-E168 HydrophobicContact CB-CG 3.99Å; E153-E168 PolarHBondContact N-OE1 3.13Å; E153-E168 PolarHBondContact OE2-N 3.38Å; E153-K218 VanDerWaalsContact CD-NZ 3.29Å; E153-K218 IonicContact OE1-NZ 2.71Å; E153-K218 PolarHBondContact OE1-NZ 3.07Å; E153-K218 IonicContact OE2-NZ 3.37Å
154	G	98.7	Very high	98.2	Very high	42 Å²	42	49.5 Å²	49.5	43%	0.433	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-10	175	0	0	0	0	0	115.4	S152 V166	S152-G154 PolarHBondContact O-N 3.48Å; G154-V166 PolarHBondContact N-O 3.25Å
155	D	98.8	Very high	98.3	Very high	63 Å²	63	48.2 Å²	48.2	34%	0.337	28%	0.281	S	S	.	.			trans	-58.7	152.4	173.9	-75.5	-18.1	0	0	0	111.2	L151 S152 E153 T165 V166	L151-D155 HydrophobicContact CD2-CB 4.29Å; S152-D155 PolarHBondContact N-OD2 2.77Å; S152-D155 WeakPolarHBondContact O-CB 3.37Å; S152-D155 PolarHBondContact O-N 3.05Å; S152-D155 VanDerWaalsContact O-N 3.15Å; E153-D155 VanDerWaalsContact C-N 3.26Å; E153-D155 PolarHBondContact O-N 3.45Å; D155-T165 WeakPolarHBondContact O-CA 3.48Å; D155-V166 HydrophobicContact CB-CB 4.44Å; D155-V166 HydrophobicContact CB-CG2 4.14Å; D155-V166 WeakPolarHBondContact O-CG2 3.21Å; D155-V166 PolarHBondContact O-N 3.1Å
156	K	98.6	Very high	98.3	Very high	138 Å²	138	47.8 Å²	47.8	60%	0.6	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.5	-179.1	-65.4	-177.2	-178.2	177.7	0	111.5	L164	K156-L164 CarbonylContact C-O 3.6Å; K156-L164 VanDerWaalsContact CA-O 3.28Å; K156-L164 WeakPolarHBondContact CA-O 3.22Å
157	I	98.7	Very high	98.4	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.046	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	101.8	167.6	-52	173.3	0	0	0	107.2	V86 V111 V113 L151 C163 L164 L179	V86-I157 HydrophobicContact CG1-CG2 4.22Å; V111-I157 HydrophobicContact CB-CG2 3.94Å; V111-I157 HydrophobicContact CG1-CG2 3.92Å; V111-I157 HydrophobicContact CG2-CG2 4.04Å; V113-I157 HydrophobicContact CB-CD1 4.03Å; V113-I157 HydrophobicContact CG1-CD1 4.12Å; V113-I157 HydrophobicContact CG2-CD1 3.83Å; L151-I157 HydrophobicContact CD1-CD1 3.91Å; L151-I157 HydrophobicContact CD2-CD1 4.33Å; L151-I157 HydrophobicContact CD2-CG1 4.1Å; I157-C163 CarbonylContact O-C 3.59Å; I157-C163 VanDerWaalsContact O-CA 3.23Å; I157-C163 WeakPolarHBondContact O-CA 3.42Å; I157-L164 HydrophobicContact CB-CB 4.36Å; I157-L164 PolarHBondContact N-O 3Å; I157-L164 PolarHBondContact O-N 3.18Å; I157-L179 HydrophobicContact CD1-CD2 4.31Å
158	S	98.4	Very high	98.4	Very high	78 Å²	78	47.2 Å²	47.2	55%	0.545	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.4	-179.1	-59.5	0	0	0	0	112.1	H162	S158-H162 WeakPolarHBondContact CA-O 3.37Å
159	F	97.9	Very high	98.4	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	108.4	174.3	56.6	-76.8	0	0	0	108.4	P60 L77 E84 V86 K161 H162 L164	P60-F159 HydrophobicContact CB-CE2 3.84Å; P60-F159 HydrophobicContact CB-CZ 4.19Å; L77-F159 HydrophobicContact CB-CE2 3.92Å; L77-F159 HydrophobicContact CB-CZ 3.92Å; L77-F159 HydrophobicContact CD2-CZ 4.13Å; E84-F159 HydrophobicContact CB-CB 4.18Å; V86-F159 HydrophobicContact CG1-CB 3.64Å; V86-F159 HydrophobicContact CG1-CD1 3.27Å; V86-F159 HydrophobicContact CG1-CD2 4.25Å; V86-F159 HydrophobicContact CG1-CE1 3.94Å; V86-F159 HydrophobicContact CG1-CG 3.46Å; V86-F159 VanDerWaalsContact CG1-CG 3.46Å; F159-K161 PolarHBondContact O-N 3.38Å; F159-H162 HydrophobicContact CD1-CB 4.35Å; F159-H162 HydrophobicContact CD2-CB 3.94Å; F159-H162 HydrophobicContact CE1-CB 3.92Å; F159-H162 HydrophobicContact CE2-CB 3.47Å; F159-H162 VanDerWaalsContact CE2-CB 3.47Å; F159-H162 HydrophobicContact CG-CB 4.37Å; F159-H162 HydrophobicContact CZ-CB 3.45Å; F159-H162 VanDerWaalsContact CZ-CB 3.45Å; F159-H162 PolarHBondContact N-O 3.04Å; F159-H162 PolarHBondContact O-N 3.36Å; F159-L164 HydrophobicContact CE1-CG 4.16Å
160	G	96.6	Very high	98.4	Very high	31 Å²	31	42.4 Å²	42.4	32%	0.32	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-130.9	-168.5	0	0	0	0	0	112.1	D79 S82 E84 H162	D79-G160 VanDerWaalsContact OD2-CA 3.29Å; D79-G160 WeakPolarHBondContact OD2-CA 3.3Å; S82-G160 VanDerWaalsContact OG-CA 3.25Å; S82-G160 WeakPolarHBondContact OG-CA 3.49Å; E84-G160 PolarHBondContact OE2-N 2.77Å; G160-H162 VanDerWaalsContact C-N 3.26Å; G160-H162 PolarHBondContact O-N 2.86Å
161	K	96	Very high	98.4	Very high	110 Å²	110	37.9 Å²	37.9	48%	0.478	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.4	176.6	72.6	-167.2	173	-178.9	0	114.3	D79 E81 F159	D79-K161 WeakPolarHBondContact OD2-CG 3.37Å; D79-K161 PolarHBondContact OD2-N 2.89Å; E81-K161 IonicContact OE1-NZ 2.9Å; E81-K161 PolarHBondContact OE1-NZ 3.15Å; F159-K161 PolarHBondContact O-N 3.38Å
162	H	97.6	Very high	98.4	Very high	28 Å²	28	38.1 Å²	38.1	13%	0.13	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	160.5	-176.6	-57.3	-62.2	0	0	0	111.8	S158 F159 G160	S158-H162 WeakPolarHBondContact CA-O 3.37Å; F159-H162 HydrophobicContact CD1-CB 4.35Å; F159-H162 HydrophobicContact CD2-CB 3.94Å; F159-H162 HydrophobicContact CE1-CB 3.92Å; F159-H162 HydrophobicContact CE2-CB 3.47Å; F159-H162 VanDerWaalsContact CE2-CB 3.47Å; F159-H162 HydrophobicContact CG-CB 4.37Å; F159-H162 HydrophobicContact CZ-CB 3.45Å; F159-H162 VanDerWaalsContact CZ-CB 3.45Å; F159-H162 PolarHBondContact N-O 3.04Å; F159-H162 PolarHBondContact O-N 3.36Å; G160-H162 VanDerWaalsContact C-N 3.26Å; G160-H162 PolarHBondContact O-N 2.86Å
163	C	98.1	Very high	98.4	Very high	28 Å²	28	37 Å²	37	19%	0.189	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	156	171.9	66.3	0	0	0	0	112.5	I157 T181 G182	I157-C163 CarbonylContact O-C 3.59Å; I157-C163 VanDerWaalsContact O-CA 3.23Å; I157-C163 WeakPolarHBondContact O-CA 3.42Å; C163-T181 WeakPolarHBondContact O-CA 3.37Å; C163-G182 PolarHBondContact O-N 3.17Å
164	L	98.8	Very high	98.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.3	163.6	-62.6	172.7	0	0	0	108.8	L77 V86 I88 K156 I157 F159 L179 V180 T181 F188	L77-L164 HydrophobicContact CD2-CD2 4.23Å; V86-L164 HydrophobicContact CG2-CD1 3.77Å; I88-L164 HydrophobicContact CD1-CD1 3.77Å; I88-L164 HydrophobicContact CG1-CD1 4.28Å; K156-L164 CarbonylContact C-O 3.6Å; K156-L164 VanDerWaalsContact CA-O 3.28Å; K156-L164 WeakPolarHBondContact CA-O 3.22Å; I157-L164 HydrophobicContact CB-CB 4.36Å; I157-L164 PolarHBondContact N-O 3Å; I157-L164 PolarHBondContact O-N 3.18Å; F159-L164 HydrophobicContact CE1-CG 4.16Å; L164-L179 HydrophobicContact CB-CB 4.31Å; L164-L179 HydrophobicContact CD1-CB 4.2Å; L164-L179 HydrophobicContact CD1-CD1 4.23Å; L164-V180 CarbonylContact C-O 3.23Å; L164-V180 WeakPolarHBondContact CA-O 3.17Å; L164-T181 HydrophobicContact CD2-CG2 3.94Å; L164-F188 HydrophobicContact CD2-CD2 4.1Å; L164-F188 HydrophobicContact CD2-CE2 3.94Å
165	T	98.9	Very high	98.4	Very high	36 Å²	36	34.2 Å²	34.2	22%	0.221	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.7	171.5	-52.9	0	0	0	0	109.2	D155 V180	D155-T165 WeakPolarHBondContact O-CA 3.48Å; T165-V180 PolarHBondContact N-O 3.46Å; T165-V180 PolarHBondContact O-N 2.9Å
166	V	98.9	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.1	178.7	-179.2	0	0	0	0	109.9	L151 S152 G154 D155 V177 L179	L151-V166 HydrophobicContact CB-CG1 4.47Å; L151-V166 HydrophobicContact CB-CG2 4.19Å; L151-V166 HydrophobicContact CD1-CG2 4.1Å; L151-V166 HydrophobicContact CD2-CG2 4.16Å; L151-V166 HydrophobicContact CG-CG2 4.38Å; S152-V166 WeakPolarHBondContact O-CB 3.49Å; S152-V166 WeakPolarHBondContact O-CG1 3.46Å; G154-V166 PolarHBondContact N-O 3.25Å; D155-V166 HydrophobicContact CB-CB 4.44Å; D155-V166 HydrophobicContact CB-CG2 4.14Å; D155-V166 WeakPolarHBondContact O-CG2 3.21Å; D155-V166 PolarHBondContact O-N 3.1Å; V166-V177 HydrophobicContact CG1-CB 3.91Å; V166-V177 HydrophobicContact CG1-CG1 3.72Å; V166-V177 HydrophobicContact CG1-CG2 4.46Å; V166-L179 HydrophobicContact CG2-CD2 3.88Å
167	R	98.9	Very high	98.4	Very high	45 Å²	45	24.8 Å²	24.8	17%	0.17	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.5	163.3	-64.8	-173.4	-178.6	-163.2	-2.4	108.5	E153 T169 V177 T178 V180 K218 L222	E153-R167 WeakPolarHBondContact OE2-CA 3.43Å; R167-T169 HydrophobicContact CB-CG2 4.46Å; R167-T169 PolarHBondContact O-N 3.1Å; R167-V177 CarbonylContact O-C 3.46Å; R167-V177 VanDerWaalsContact O-CA 3.3Å; R167-V177 WeakPolarHBondContact O-CA 3.36Å; R167-T178 PolarHBondContact N-O 2.88Å; R167-T178 PolarHBondContact O-N 3.4Å; R167-V180 HydrophobicContact CG-CG2 4.25Å; R167-K218 HydrophobicContact CB-CB 4.47Å; R167-K218 WeakPolarHBondContact CD-O 3.41Å; R167-K218 PolarHBondContact NH1-O 3.37Å; R167-L222 VanDerWaalsContact CZ-CD2 3.45Å
168	E	98.9	Very high	98.5	Very high	47 Å²	47	24.4 Å²	24.4	22%	0.22	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.6	170.9	-70.8	176.9	-171.3	0	0	109	H142 S152 E153 P170 V177	H142-E168 IonicContact CD2-OE1 3.7Å; H142-E168 IonicContact CD2-OE2 3.42Å; H142-E168 IonicContact NE2-OE1 2.66Å; H142-E168 IonicContact NE2-OE2 3.1Å; S152-E168 WeakPolarHBondContact CA-OE1 3.38Å; E153-E168 HydrophobicContact CB-CG 3.99Å; E153-E168 PolarHBondContact N-OE1 3.13Å; E153-E168 PolarHBondContact OE2-N 3.38Å; E168-P170 VanDerWaalsContact C-CD 3.43Å; E168-V177 HydrophobicContact CG-CG1 4.38Å
169	T	98.9	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.			trans	-134.4	57.4	-177.8	51.6	0	0	0	0	110.3	R167 C176 T178 T192 S214 K218 I219	R167-T169 HydrophobicContact CB-CG2 4.46Å; R167-T169 PolarHBondContact O-N 3.1Å; T169-C176 CarbonylContact C-O 3.26Å; T169-C176 VanDerWaalsContact C-O 3.26Å; T169-C176 PolarHBondContact N-O 3.22Å; T169-C176 VanDerWaalsContact O-CB 3.24Å; T169-C176 WeakPolarHBondContact O-CB 3.41Å; T169-T178 WeakPolarHBondContact CG2-OG1 3.5Å; T169-T178 PolarHBondContact OG1-N 2.78Å; T169-T178 VanDerWaalsContact OG1-N 3.15Å; T169-T178 PolarHBondContact OG1-OG1 3.45Å; T169-T178 VanDerWaalsContact OG1-OG1 3.07Å; T169-T192 PolarHBondContact O-OG1 3.13Å; T169-T192 PolarHBondContact OG1-OG1 2.71Å; T169-S214 VanDerWaalsContact C-OG 3.28Å; T169-S214 WeakPolarHBondContact CA-OG 3.45Å; T169-K218 HydrophobicContact CG2-CB 3.68Å; T169-K218 HydrophobicContact CG2-CG 4.16Å; T169-I219 HydrophobicContact CG2-CD1 4.32Å; T169-I219 HydrophobicContact CG2-CG1 4.17Å
170	P	98.9	Very high	98.5	Very high	29 Å²	29	20.7 Å²	20.7	19%	0.188	11%	0.112	C	C	.	.			trans	-64.4	157.5	-178.5	29.8	-37.2	0	0	0	111.6	E168 T173 R210 S214	E168-P170 VanDerWaalsContact C-CD 3.43Å; P170-T173 VanDerWaalsContact CA-O 3.3Å; P170-T173 WeakPolarHBondContact CA-O 3.25Å; P170-R210 HydrophobicContact CB-CG 4.34Å; P170-R210 HydrophobicContact CG-CG 3.99Å; P170-R210 CarbonylContact O-C 3.58Å; P170-S214 VanDerWaalsContact CD-OG 3.29Å; P170-S214 WeakPolarHBondContact CD-OG 3.43Å; P170-S214 WeakPolarHBondContact O-CB 3.34Å; P170-S214 PolarHBondContact O-OG 2.73Å
171	G	98.8	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	147.3	-46.2	175.8	0	0	0	0	0	112.8	T173 T201 G206 C207	G171-T173 PolarHBondContact N-O 2.95Å; G171-T201 WeakPolarHBondContact O-CG2 3.16Å; G171-G206 CarbonylContact O-C 3.55Å; G171-G206 WeakPolarHBondContact O-CA 3.5Å; G171-C207 PolarHBondContact O-N 3.01Å
172	H	98.9	Very high	98.6	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.046	10%	0.1	C	C	.	.	S	Bend	trans	-68.7	-48.1	166.6	170.6	55.3	0	0	0	109.5	H116 D191 R200 G206 L211	H116-H172 AromaticContact CD2-CD2 3.56Å; H116-H172 AromaticContact CD2-NE2 3.68Å; H116-H172 AromaticContact NE2-CD2 3.52Å; H116-H172 AromaticContact NE2-NE2 3.4Å; H116-H172 PolarHBondContact NE2-NE2 2.96Å; H172-D191 HydrophobicContact CB-CB 4.42Å; H172-D191 WeakPolarHBondContact CD2-CB 3.14Å; H172-D191 IonicContact NE2-OD2 3.98Å; H172-R200 PolarHBondContact ND1-O 3.06Å; H172-G206 WeakPolarHBondContact O-CA 3.44Å; H172-L211 HydrophobicContact CB-CD1 4.45Å
173	T	98.9	Very high	98.5	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.031	11%	0.11	C	C	.	.	S	Bend	trans	-133.2	170.5	163.3	77.1	0	0	0	0	109.7	P170 G171 G175 C176 Q204	P170-T173 VanDerWaalsContact CA-O 3.3Å; P170-T173 WeakPolarHBondContact CA-O 3.25Å; G171-T173 PolarHBondContact N-O 2.95Å; T173-G175 PolarHBondContact O-N 3.27Å; T173-G175 PolarHBondContact OG1-N 3.19Å; T173-G175 VanDerWaalsContact OG1-N 3.16Å; T173-C176 PolarHBondContact N-SG 2.74Å; T173-C176 PolarHBondContact OG1-N 2.78Å; T173-C176 PolarHBondContact OG1-SG 2.95Å; T173-Q204 WeakPolarHBondContact CA-O 3.38Å; T173-Q204 HydrophobicContact CG2-CB 3.69Å; T173-Q204 HydrophobicContact CG2-CG 4.43Å
174	D	98.6	Very high	98.5	Very high	60 Å²	60	20.8 Å²	20.8	32%	0.321	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.7	171	-77.6	1.9	0	0	0	112.9	H142 R210	H142-D174 WeakPolarHBondContact CB-O 3.47Å; D174-R210 IonicContact OD1-CZ 3.81Å; D174-R210 IonicContact OD1-NH1 3.96Å; D174-R210 PolarHBondContact OD1-NH1 2.75Å; D174-R210 IonicContact OD1-NH2 3.96Å; D174-R210 PolarHBondContact OD1-NH2 2.86Å; D174-R210 IonicContact OD2-NH1 3.81Å
175	G	98.7	Very high	98.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.8	-175.5	0	0	0	0	0	115.6	S140 T173 V177	S140-G175 WeakPolarHBondContact CB-O 3.45Å; T173-G175 PolarHBondContact O-N 3.27Å; T173-G175 PolarHBondContact OG1-N 3.19Å; T173-G175 VanDerWaalsContact OG1-N 3.16Å; G175-V177 PolarHBondContact O-N 2.74Å
176	C	98.9	Very high	98.4	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.02	12%	0.116	C	C	.	.			trans	-66.6	130.8	-175.1	-69.8	0	0	0	0	112.5	T115 H116 T169 T173	T115-C176 WeakPolarHBondContact O-CA 3.37Å; H116-C176 HydrophobicContact CB-CB 4.37Å; H116-C176 VanDerWaalsContact CB-SG 3.54Å; T169-C176 CarbonylContact C-O 3.26Å; T169-C176 VanDerWaalsContact C-O 3.26Å; T169-C176 PolarHBondContact N-O 3.22Å; T169-C176 VanDerWaalsContact O-CB 3.24Å; T169-C176 WeakPolarHBondContact O-CB 3.41Å; T173-C176 PolarHBondContact N-SG 2.74Å; T173-C176 PolarHBondContact OG1-N 2.78Å; T173-C176 PolarHBondContact OG1-SG 2.95Å
177	V	98.9	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.8	170.8	-61.6	0	0	0	0	111	T115 V166 R167 E168 G175 L179	T115-V177 WeakPolarHBondContact O-CG2 3.3Å; T115-V177 PolarHBondContact O-N 3.05Å; V166-V177 HydrophobicContact CG1-CB 3.91Å; V166-V177 HydrophobicContact CG1-CG1 3.72Å; V166-V177 HydrophobicContact CG1-CG2 4.46Å; R167-V177 CarbonylContact O-C 3.46Å; R167-V177 VanDerWaalsContact O-CA 3.3Å; R167-V177 WeakPolarHBondContact O-CA 3.36Å; E168-V177 HydrophobicContact CG-CG1 4.38Å; G175-V177 PolarHBondContact O-N 2.74Å; V177-L179 HydrophobicContact CG2-CD2 4.15Å
178	T	99	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.5	165.1	-66.3	0	0	0	0	108.6	R167 T169 V180 A187 F188 T189 I219	R167-T178 PolarHBondContact N-O 2.88Å; R167-T178 PolarHBondContact O-N 3.4Å; T169-T178 WeakPolarHBondContact CG2-OG1 3.5Å; T169-T178 PolarHBondContact OG1-N 2.78Å; T169-T178 VanDerWaalsContact OG1-N 3.15Å; T169-T178 PolarHBondContact OG1-OG1 3.45Å; T169-T178 VanDerWaalsContact OG1-OG1 3.07Å; T178-V180 HydrophobicContact CG2-CG2 3.87Å; T178-A187 HydrophobicContact CG2-CB 4.04Å; T178-F188 CarbonylContact C-O 3.57Å; T178-F188 VanDerWaalsContact CA-O 3.28Å; T178-F188 WeakPolarHBondContact CA-O 3.31Å; T178-T189 HydrophobicContact CG2-CG2 3.93Å; T178-I219 HydrophobicContact CG2-CG1 4.43Å
179	L	98.9	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.9	177.6	-56.2	172.5	0	0	0	109.1	I88 V113 T115 I157 L164 V166 V177 A187 F188	I88-L179 HydrophobicContact CD1-CD1 4.02Å; I88-L179 HydrophobicContact CG1-CD1 4.12Å; I88-L179 HydrophobicContact CG2-CD1 3.92Å; V113-L179 HydrophobicContact CB-CD1 4.45Å; V113-L179 HydrophobicContact CG1-CD1 3.58Å; V113-L179 HydrophobicContact CG2-CD1 3.96Å; T115-L179 HydrophobicContact CG2-CD1 4.45Å; I157-L179 HydrophobicContact CD1-CD2 4.31Å; L164-L179 HydrophobicContact CB-CB 4.31Å; L164-L179 HydrophobicContact CD1-CB 4.2Å; L164-L179 HydrophobicContact CD1-CD1 4.23Å; V166-L179 HydrophobicContact CG2-CD2 3.88Å; V177-L179 HydrophobicContact CG2-CD2 4.15Å; L179-A187 WeakPolarHBondContact O-CA 3.37Å; L179-F188 HydrophobicContact CB-CB 4.24Å; L179-F188 HydrophobicContact CB-CD2 4.35Å; L179-F188 PolarHBondContact N-O 2.78Å; L179-F188 WeakPolarHBondContact O-CD2 3.43Å; L179-F188 PolarHBondContact O-N 3.15Å
180	V	98.9	Very high	98.4	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.7	-174.1	-173.3	0	0	0	0	109.8	L164 T165 R167 T178 Q184 M186 A187 L222	L164-V180 CarbonylContact C-O 3.23Å; L164-V180 WeakPolarHBondContact CA-O 3.17Å; T165-V180 PolarHBondContact N-O 3.46Å; T165-V180 PolarHBondContact O-N 2.9Å; R167-V180 HydrophobicContact CG-CG2 4.25Å; T178-V180 HydrophobicContact CG2-CG2 3.87Å; V180-Q184 HydrophobicContact CG1-CB 4.31Å; V180-Q184 HydrophobicContact CG1-CG 4.18Å; V180-M186 WeakPolarHBondContact CA-O 3.47Å; V180-A187 HydrophobicContact CG2-CB 4.24Å; V180-L222 HydrophobicContact CG1-CD1 4.43Å; V180-L222 HydrophobicContact CG1-CD2 3.84Å; V180-L222 HydrophobicContact CG2-CD1 4.21Å
181	T	98.5	Very high	98.4	Very high	5 Å²	5	15 Å²	15	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	147.5	174.2	56.6	0	0	0	0	110.9	L77 C163 L164 D183 Q184 S185 M186 F188	L77-T181 HydrophobicContact CD2-CG2 4.34Å; C163-T181 WeakPolarHBondContact O-CA 3.37Å; L164-T181 HydrophobicContact CD2-CG2 3.94Å; T181-D183 WeakPolarHBondContact CB-OD1 3.42Å; T181-D183 PolarHBondContact O-N 3.1Å; T181-D183 PolarHBondContact OG1-OD1 3.5Å; T181-Q184 WeakPolarHBondContact O-CA 3.46Å; T181-Q184 PolarHBondContact O-N 3.21Å; T181-S185 PolarHBondContact OG1-N 3.15Å; T181-M186 HydrophobicContact CG2-CB 3.88Å; T181-M186 HydrophobicContact CG2-CG 4.42Å; T181-M186 HydrophobicContact CG2-SD 4.31Å; T181-M186 PolarHBondContact N-O 3.15Å; T181-M186 PolarHBondContact OG1-N 3.06Å; T181-M186 VanDerWaalsContact OG1-N 3.13Å; T181-M186 PolarHBondContact OG1-O 3.08Å; T181-F188 HydrophobicContact CG2-CE2 4.43Å
182	G	95.7	Very high	98.4	Very high	49 Å²	49	15 Å²	15	51%	0.505	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.3	-177.4	0	0	0	0	0	114.8	C163	C163-G182 PolarHBondContact O-N 3.17Å
183	D	95.2	Very high	98.4	Very high	66 Å²	66	14.6 Å²	14.6	35%	0.353	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.5	175.4	72.2	-6.9	0	0	0	114.5	R53 T181 S185	R53-D183 IonicContact CZ-OD2 2.69Å; R53-D183 IonicContact NH1-OD2 3.51Å; R53-D183 PolarHBondContact NH1-OD2 2.69Å; R53-D183 IonicContact NH2-OD2 3.94Å; R53-D183 PolarHBondContact NH2-OD2 3.08Å; T181-D183 WeakPolarHBondContact CB-OD1 3.42Å; T181-D183 PolarHBondContact O-N 3.1Å; T181-D183 PolarHBondContact OG1-OD1 3.5Å; D183-S185 VanDerWaalsContact CG-OG 3.22Å; D183-S185 PolarHBondContact O-N 2.84Å; D183-S185 VanDerWaalsContact O-N 3.14Å; D183-S185 WeakPolarHBondContact OD1-CB 3.23Å; D183-S185 PolarHBondContact OD1-N 2.69Å; D183-S185 PolarHBondContact OD1-OG 3.15Å; D183-S185 PolarHBondContact OD2-OG 2.87Å; D183-S185 VanDerWaalsContact OD2-OG 3.06Å
184	Q	97.5	Very high	98.4	Very high	79 Å²	79	15.2 Å²	15.2	37%	0.369	9%	0.093	S	C	.	.	S	Bend	trans	56.1	24.5	-179.4	-53.9	-177.7	23	0	0	114.7	V180 T181 L222 P223 C226	V180-Q184 HydrophobicContact CG1-CB 4.31Å; V180-Q184 HydrophobicContact CG1-CG 4.18Å; T181-Q184 WeakPolarHBondContact O-CA 3.46Å; T181-Q184 PolarHBondContact O-N 3.21Å; Q184-L222 HydrophobicContact CB-CD2 4.16Å; Q184-L222 HydrophobicContact CG-CD2 4.22Å; Q184-P223 HydrophobicContact CB-CG 4.24Å; Q184-C226 WeakPolarHBondContact O-CB 3.3Å; Q184-C226 PolarHBondContact O-SG 3.1Å
185	S	97.1	Very high	98.4	Very high	22 Å²	22	12.9 Å²	12.9	15%	0.154	8%	0.081	C	C	.	.	S	Bend	trans	-83	-21.5	177.6	65.7	0	0	0	0	114	R53 T181 D183 L227	R53-S185 PolarHBondContact NH1-OG 2.9Å; T181-S185 PolarHBondContact OG1-N 3.15Å; D183-S185 VanDerWaalsContact CG-OG 3.22Å; D183-S185 PolarHBondContact O-N 2.84Å; D183-S185 VanDerWaalsContact O-N 3.14Å; D183-S185 WeakPolarHBondContact OD1-CB 3.23Å; D183-S185 PolarHBondContact OD1-N 2.69Å; D183-S185 PolarHBondContact OD1-OG 3.15Å; D183-S185 PolarHBondContact OD2-OG 2.87Å; D183-S185 VanDerWaalsContact OD2-OG 3.06Å; S185-L227 PolarHBondContact O-N 3.12Å
186	M	98.6	Very high	98.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.7	178	-53.8	167	74.1	0	0	110.3	Y50 F62 V180 T181 F188 L227 F229	Y50-M186 HydrophobicContact CD2-CG 4.44Å; Y50-M186 HydrophobicContact CD2-SD 3.93Å; Y50-M186 HydrophobicContact CE2-CE 4.21Å; Y50-M186 HydrophobicContact CE2-SD 3.45Å; Y50-M186 WeakPolarHBondContact CE2-SD 3.33Å; F62-M186 HydrophobicContact CD1-CE 4.06Å; F62-M186 HydrophobicContact CD2-CE 3.6Å; F62-M186 HydrophobicContact CE1-CE 4.01Å; F62-M186 HydrophobicContact CE2-CE 3.53Å; F62-M186 HydrophobicContact CG-CE 3.86Å; F62-M186 HydrophobicContact CZ-CE 3.74Å; V180-M186 WeakPolarHBondContact CA-O 3.47Å; T181-M186 HydrophobicContact CG2-CB 3.88Å; T181-M186 HydrophobicContact CG2-CG 4.42Å; T181-M186 HydrophobicContact CG2-SD 4.31Å; T181-M186 PolarHBondContact N-O 3.15Å; T181-M186 PolarHBondContact OG1-N 3.06Å; T181-M186 VanDerWaalsContact OG1-N 3.13Å; T181-M186 PolarHBondContact OG1-O 3.08Å; M186-F188 HydrophobicContact CB-CE2 4.33Å; M186-F188 HydrophobicContact CB-CZ 4.39Å; M186-F188 HydrophobicContact CE-CE1 4.27Å; M186-F188 HydrophobicContact CE-CZ 3.68Å; M186-L227 CarbonylContact C-O 3.5Å; M186-L227 WeakPolarHBondContact CA-O 3.34Å; M186-L227 HydrophobicContact CG-CB 4.45Å; M186-L227 HydrophobicContact CG-CD1 4.45Å; M186-F229 HydrophobicContact CB-CD2 4.26Å; M186-F229 HydrophobicContact CB-CE2 4.25Å; M186-F229 HydrophobicContact CE-CD2 3.8Å; M186-F229 HydrophobicContact CE-CE2 3.24Å; M186-F229 HydrophobicContact CE-CZ 3.88Å; M186-F229 HydrophobicContact CG-CE2 4.05Å; M186-F229 HydrophobicContact SD-CE2 4.46Å
187	A	98.9	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.9	172	0	0	0	0	0	109.8	T178 L179 V180 T189 L222 L227 F229	T178-A187 HydrophobicContact CG2-CB 4.04Å; L179-A187 WeakPolarHBondContact O-CA 3.37Å; V180-A187 HydrophobicContact CG2-CB 4.24Å; A187-T189 HydrophobicContact CB-CG2 4.19Å; A187-L222 HydrophobicContact CB-CD1 3.81Å; A187-L227 PolarHBondContact N-O 3.15Å; A187-F229 PolarHBondContact O-N 2.97Å
188	F	98.9	Very high	98.4	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	102.7	174.5	-55.8	-82.4	0	0	0	108.1	F62 Y75 L77 I88 L164 T178 L179 T181 M186 F229	F62-F188 AromaticContact CE2-CE1 3.78Å; F62-F188 HydrophobicContact CE2-CE1 3.78Å; F62-F188 AromaticContact CE2-CZ 3.98Å; F62-F188 HydrophobicContact CE2-CZ 3.98Å; F62-F188 HydrophobicContact CZ-CE1 4.41Å; Y75-F188 HydrophobicContact CD1-CD1 4.12Å; Y75-F188 AromaticContact CD1-CE1 3.75Å; Y75-F188 HydrophobicContact CD1-CE1 3.75Å; Y75-F188 AromaticContact CD2-CD1 3.52Å; Y75-F188 HydrophobicContact CD2-CD1 3.52Å; Y75-F188 AromaticContact CD2-CE1 3.98Å; Y75-F188 HydrophobicContact CD2-CE1 3.98Å; Y75-F188 HydrophobicContact CE1-CD1 4.42Å; Y75-F188 HydrophobicContact CE1-CE1 4.27Å; Y75-F188 AromaticContact CE2-CD1 3.9Å; Y75-F188 HydrophobicContact CE2-CD1 3.9Å; Y75-F188 HydrophobicContact CE2-CE1 4.49Å; Y75-F188 AromaticContact CG-CD1 3.63Å; Y75-F188 HydrophobicContact CG-CD1 3.63Å; Y75-F188 AromaticContact CG-CE1 3.56Å; Y75-F188 HydrophobicContact CG-CE1 3.56Å; L77-F188 HydrophobicContact CD1-CE1 4.27Å; L77-F188 HydrophobicContact CD1-CE2 4.07Å; L77-F188 HydrophobicContact CD1-CZ 3.67Å; L77-F188 HydrophobicContact CD2-CE2 3.83Å; L77-F188 HydrophobicContact CD2-CZ 3.85Å; L77-F188 HydrophobicContact CG-CZ 4.23Å; I88-F188 HydrophobicContact CD1-CB 3.98Å; I88-F188 HydrophobicContact CD1-CD1 3.84Å; I88-F188 HydrophobicContact CD1-CD2 3.42Å; I88-F188 VanDerWaalsContact CD1-CD2 3.42Å; I88-F188 HydrophobicContact CD1-CE1 4.21Å; I88-F188 HydrophobicContact CD1-CE2 3.84Å; I88-F188 HydrophobicContact CD1-CG 3.43Å; I88-F188 VanDerWaalsContact CD1-CG 3.43Å; I88-F188 HydrophobicContact CD1-CZ 4.22Å; L164-F188 HydrophobicContact CD2-CD2 4.1Å; L164-F188 HydrophobicContact CD2-CE2 3.94Å; T178-F188 CarbonylContact C-O 3.57Å; T178-F188 VanDerWaalsContact CA-O 3.28Å; T178-F188 WeakPolarHBondContact CA-O 3.31Å; L179-F188 HydrophobicContact CB-CB 4.24Å; L179-F188 HydrophobicContact CB-CD2 4.35Å; L179-F188 PolarHBondContact N-O 2.78Å; L179-F188 WeakPolarHBondContact O-CD2 3.43Å; L179-F188 PolarHBondContact O-N 3.15Å; T181-F188 HydrophobicContact CG2-CE2 4.43Å; M186-F188 HydrophobicContact CB-CE2 4.33Å; M186-F188 HydrophobicContact CB-CZ 4.39Å; M186-F188 HydrophobicContact CE-CE1 4.27Å; M186-F188 HydrophobicContact CE-CZ 3.68Å; F188-F229 CarbonylContact C-O 3.54Å; F188-F229 VanDerWaalsContact CA-O 3.25Å; F188-F229 WeakPolarHBondContact CA-O 3.13Å; F188-F229 HydrophobicContact CD1-CB 3.55Å; F188-F229 HydrophobicContact CD1-CD2 4.46Å; F188-F229 HydrophobicContact CD1-CG 4.25Å; F188-F229 HydrophobicContact CE1-CB 3.82Å; F188-F229 AromaticContact CE1-CD2 3.99Å; F188-F229 HydrophobicContact CE1-CD2 3.99Å; F188-F229 HydrophobicContact CE1-CG 4Å; F188-F229 HydrophobicContact CG-CB 4.45Å; F188-F229 HydrophobicContact CZ-CD2 4.44Å
189	T	98.9	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	4.4	-159.7	48.7	0	0	0	0	114.4	T178 A187 D191 T192 L193 I219 V228 F229	T178-T189 HydrophobicContact CG2-CG2 3.93Å; A187-T189 HydrophobicContact CB-CG2 4.19Å; T189-D191 PolarHBondContact O-N 2.89Å; T189-T192 WeakPolarHBondContact O-CB 3.41Å; T189-T192 PolarHBondContact O-N 2.81Å; T189-L193 HydrophobicContact CG2-CB 4.25Å; T189-L193 HydrophobicContact CG2-CD2 4.5Å; T189-L193 PolarHBondContact OG1-O 3.06Å; T189-I219 HydrophobicContact CG2-CD1 3.93Å; T189-I219 HydrophobicContact CG2-CG2 4.26Å; T189-V228 HydrophobicContact CG2-CG1 3.99Å; T189-F229 PolarHBondContact N-O 3.18Å
190	G	98.9	Very high	98.4	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	-136.5	-172.1	0	0	0	0	0	110.5	T115 A231	T115-G190 WeakPolarHBondContact OG1-CA 3.46Å; G190-A231 PolarHBondContact O-N 3.32Å
191	D	98.9	Very high	98.3	Very high	10 Å²	10	18.9 Å²	18.9	5%	0.053	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.7	172.8	-82.8	3.5	0	0	0	113.7	H116 H172 T189 G199 H232	H116-D191 IonicContact NE2-OD2 2.81Å; H172-D191 HydrophobicContact CB-CB 4.42Å; H172-D191 WeakPolarHBondContact CD2-CB 3.14Å; H172-D191 IonicContact NE2-OD2 3.98Å; T189-D191 PolarHBondContact O-N 2.89Å; D191-G199 WeakPolarHBondContact O-CA 3.49Å; D191-G199 PolarHBondContact O-N 2.81Å; D191-H232 VanDerWaalsContact CG-ND1 3.32Å; D191-H232 IonicContact OD1-CE1 3.64Å; D191-H232 IonicContact OD1-CG 2.99Å; D191-H232 IonicContact OD1-ND1 2.68Å; D191-H232 PolarHBondContact OD1-ND1 3.41Å; D191-H232 IonicContact OD2-CE1 3.74Å; D191-H232 IonicContact OD2-ND1 3.57Å; D191-H232 PolarHBondContact OD2-ND1 2.92Å
192	T	98.9	Very high	98.3	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-46	174.3	-55.6	0	0	0	0	110.7	T169 T189 L211 V215 I219	T169-T192 PolarHBondContact O-OG1 3.13Å; T169-T192 PolarHBondContact OG1-OG1 2.71Å; T189-T192 WeakPolarHBondContact O-CB 3.41Å; T189-T192 PolarHBondContact O-N 2.81Å; T192-L211 HydrophobicContact CG2-CD1 3.63Å; T192-V215 HydrophobicContact CG2-CG2 3.75Å; T192-I219 HydrophobicContact CG2-CD1 3.99Å
193	L	98.9	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-129	124.6	175.9	177.2	65.2	0	0	0	109.5	T189 I219 F220 V228 E245 L252	T189-L193 HydrophobicContact CG2-CB 4.25Å; T189-L193 HydrophobicContact CG2-CD2 4.5Å; T189-L193 PolarHBondContact OG1-O 3.06Å; L193-I219 HydrophobicContact CB-CD1 3.96Å; L193-I219 HydrophobicContact CD2-CG2 3.74Å; L193-F220 HydrophobicContact CD2-CE1 4.2Å; L193-V228 HydrophobicContact CD2-CG1 3.9Å; L193-V228 HydrophobicContact CD2-CG2 4.14Å; L193-V228 HydrophobicContact CG-CG1 4.2Å; L193-E245 HydrophobicContact CD1-CB 4.29Å; L193-E245 HydrophobicContact CD1-CG 4.25Å; L193-E245 HydrophobicContact CD2-CB 4.21Å; L193-E245 HydrophobicContact CD2-CG 4.12Å; L193-E245 HydrophobicContact CG-CG 4.44Å; L193-L252 HydrophobicContact CD1-CD1 3.48Å; L193-L252 VanDerWaalsContact CD1-CD1 3.48Å
194	L	98.9	Very high	98.6	Very high	19 Å²	19	21.6 Å²	21.6	10%	0.099	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-108	164.4	172.4	-55.2	-178.4	0	0	0	109.7	R196 G197 P230 H232 Y234	L194-R196 PolarHBondContact O-N 2.66Å; L194-R196 VanDerWaalsContact O-N 3.15Å; L194-G197 PolarHBondContact N-O 3.23Å; L194-G197 VanDerWaalsContact N-O 3.15Å; L194-G197 PolarHBondContact O-N 2.7Å; L194-G197 VanDerWaalsContact O-N 3.16Å; L194-P230 HydrophobicContact CD2-CB 3.72Å; L194-H232 HydrophobicContact CD2-CB 4.49Å; L194-Y234 HydrophobicContact CD1-CE2 4.42Å
195	I	98.9	Very high	98.6	Very high	11 Å²	11	24.5 Å²	24.5	6%	0.056	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	117.9	175.6	-57.5	165.7	0	0	0	108.8	G197 P230 Q237	I195-G197 PolarHBondContact O-N 2.9Å; I195-G197 VanDerWaalsContact O-N 3.15Å; I195-P230 HydrophobicContact CD1-CG 4.1Å; I195-P230 HydrophobicContact CG1-CG 4.01Å; I195-Q237 HydrophobicContact CB-CB 4.46Å; I195-Q237 HydrophobicContact CD1-CB 3.69Å; I195-Q237 WeakPolarHBondContact CD1-O 3.25Å; I195-Q237 HydrophobicContact CG2-CB 4.15Å
196	R	98.8	Very high	98.7	Very high	63 Å²	63	24.5 Å²	24.5	24%	0.238	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	30.4	-173.9	-48.9	-57.7	179.3	-142.5	0.7	113.5	L194 E244 E245 P250	L194-R196 PolarHBondContact O-N 2.66Å; L194-R196 VanDerWaalsContact O-N 3.15Å; R196-E244 IonicContact CZ-OE2 3.71Å; R196-E244 VanDerWaalsContact NH1-C 3.27Å; R196-E244 PolarHBondContact NH1-O 2.71Å; R196-E244 VanDerWaalsContact NH1-O 3.1Å; R196-E244 IonicContact NH2-OE2 3.19Å; R196-E244 PolarHBondContact NH2-OE2 3.45Å; R196-E245 WeakPolarHBondContact CA-OE2 3.4Å; R196-E245 IonicContact CZ-OE1 3.71Å; R196-E245 PolarHBondContact N-OE1 2.69Å; R196-E245 PolarHBondContact N-OE2 3.31Å; R196-E245 IonicContact NE-OE1 2.74Å; R196-E245 IonicContact NH1-OE1 2.98Å; R196-E245 PolarHBondContact NH1-OE1 2.7Å; R196-E245 IonicContact NH1-OE2 3.68Å; R196-P250 WeakPolarHBondContact O-CD 3.37Å; R196-P250 VanDerWaalsContact O-CG 3.32Å; R196-P250 WeakPolarHBondContact O-CG 3.44Å
197	G	98.7	Very high	98.7	Very high	8 Å²	8	26.9 Å²	26.9	8%	0.082	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-165.6	-163.3	179.4	0	0	0	0	0	113.4	L194 I195 N249	L194-G197 PolarHBondContact N-O 3.23Å; L194-G197 VanDerWaalsContact N-O 3.15Å; L194-G197 PolarHBondContact O-N 2.7Å; L194-G197 VanDerWaalsContact O-N 3.16Å; I195-G197 PolarHBondContact O-N 2.9Å; I195-G197 VanDerWaalsContact O-N 3.15Å; G197-N249 PolarHBondContact N-ND2 3.33Å; G197-N249 PolarHBondContact O-ND2 3.19Å
198	C	98.9	Very high	98.7	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.034	14%	0.144	C	C	.	.			trans	-156.5	160.9	172.1	57	0	0	0	0	108.4	L211 R251 L252	C198-L211 HydrophobicContact CB-CD2 4.03Å; C198-R251 PolarHBondContact O-NH1 2.72Å; C198-R251 VanDerWaalsContact O-NH1 3.08Å; C198-L252 HydrophobicContact CB-CD1 4.08Å
199	G	98.7	Very high	98.7	Very high	4 Å²	4	32.2 Å²	32.2	4%	0.041	16%	0.162	C	C	.	.			trans	-61.1	158.4	171.7	0	0	0	0	0	111.9	D191 M263	D191-G199 WeakPolarHBondContact O-CA 3.49Å; D191-G199 PolarHBondContact O-N 2.81Å; G199-M263 VanDerWaalsContact O-CE 3.27Å; G199-M263 WeakPolarHBondContact O-CE 3.49Å
200	R	98.6	Very high	98.7	Very high	40 Å²	40	35.7 Å²	35.7	15%	0.151	18%	0.175	C	C	.	.			trans	-66.9	163.7	174.5	70.1	-171.8	-59.2	158.7	3.2	111.2	H172 D202 L268 P269	H172-R200 PolarHBondContact ND1-O 3.06Å; R200-D202 WeakPolarHBondContact CB-OD1 3.37Å; R200-D202 IonicContact CZ-OD1 2.62Å; R200-D202 IonicContact CZ-OD2 3.91Å; R200-D202 IonicContact NE-OD1 2.82Å; R200-D202 PolarHBondContact NE-OD1 3.41Å; R200-D202 IonicContact NE-OD2 2.72Å; R200-D202 IonicContact NH2-OD1 2.71Å; R200-D202 PolarHBondContact NH2-OD1 2.93Å; R200-D202 IonicContact NH2-OD2 3.61Å; R200-D202 PolarHBondContact NH2-OD2 3.4Å; R200-L268 HydrophobicContact CB-CD1 4.41Å; R200-L268 PolarHBondContact NH2-O 3.03Å; R200-P269 PolarHBondContact NH1-O 2.69Å; R200-P269 PolarHBondContact NH2-O 2.88Å
201	T	98.8	Very high	98.7	Very high	12 Å²	12	35.6 Å²	35.6	7%	0.074	17%	0.174	C	C	.	.			trans	-136.5	14.2	-172.6	50.9	0	0	0	0	113.4	G171 G206 S208 L211 M263	G171-T201 WeakPolarHBondContact O-CG2 3.16Å; T201-G206 CarbonylContact O-C 3.51Å; T201-G206 VanDerWaalsContact O-CA 3.31Å; T201-G206 WeakPolarHBondContact O-CA 3.43Å; T201-G206 VanDerWaalsContact O-O 3.11Å; T201-S208 PolarHBondContact OG1-OG 2.81Å; T201-L211 HydrophobicContact CG2-CB 4.05Å; T201-L211 HydrophobicContact CG2-CD2 3.39Å; T201-L211 HydrophobicContact CG2-CG 4.28Å; T201-M263 HydrophobicContact CG2-CE 4.06Å
202	D	98.3	Very high	98.7	Very high	90 Å²	90	36.8 Å²	36.8	48%	0.481	18%	0.179	S	C	.	.	S	Bend	trans	-104.6	2.4	-173.4	59.4	-32.6	0	0	0	113.6	R200	R200-D202 WeakPolarHBondContact CB-OD1 3.37Å; R200-D202 IonicContact CZ-OD1 2.62Å; R200-D202 IonicContact CZ-OD2 3.91Å; R200-D202 IonicContact NE-OD1 2.82Å; R200-D202 PolarHBondContact NE-OD1 3.41Å; R200-D202 IonicContact NE-OD2 2.72Å; R200-D202 IonicContact NH2-OD1 2.71Å; R200-D202 PolarHBondContact NH2-OD1 2.93Å; R200-D202 IonicContact NH2-OD2 3.61Å; R200-D202 PolarHBondContact NH2-OD2 3.4Å
203	F	98.2	Very high	98.7	Very high	62 Å²	62	40.6 Å²	40.6	27%	0.272	20%	0.196	S	C	.	.	S	Bend	trans	-132	170.5	175.2	-73.7	-92.9	0	0	0	110.3	Q205 G206 K270 I274	F203-Q205 VanDerWaalsContact C-N 3.32Å; F203-Q205 PolarHBondContact O-N 2.97Å; F203-G206 WeakPolarHBondContact O-CA 3.39Å; F203-G206 PolarHBondContact O-N 2.94Å; F203-K270 HydrophobicContact CE1-CG 3.95Å; F203-K270 HydrophobicContact CZ-CB 4.12Å; F203-K270 HydrophobicContact CZ-CG 3.93Å; F203-I274 HydrophobicContact CB-CD1 3.95Å; F203-I274 HydrophobicContact CD1-CD1 3.6Å; F203-I274 HydrophobicContact CE1-CD1 4.43Å; F203-I274 HydrophobicContact CG-CD1 3.97Å
204	Q	97.8	Very high	98.7	Very high	25 Å²	25	41 Å²	41	12%	0.117	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	47.4	172.4	-62.7	178.1	-85.4	0	0	114.1	C117 T173 G206 I274 V278	C117-Q204 PolarHBondContact O-NE2 3.3Å; T173-Q204 WeakPolarHBondContact CA-O 3.38Å; T173-Q204 HydrophobicContact CG2-CB 3.69Å; T173-Q204 HydrophobicContact CG2-CG 4.43Å; Q204-G206 PolarHBondContact O-N 2.79Å; Q204-G206 VanDerWaalsContact O-N 3.11Å; Q204-I274 HydrophobicContact CG-CD1 4.35Å; Q204-V278 HydrophobicContact CG-CG2 4.34Å
205	Q	98.4	Very high	98.7	Very high	140 Å²	140	40.1 Å²	40.1	65%	0.654	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	17	-179	-55	72.7	45.3	0	0	113.8	F203 R210	F203-Q205 VanDerWaalsContact C-N 3.32Å; F203-Q205 PolarHBondContact O-N 2.97Å; Q205-R210 PolarHBondContact O-NH2 2.64Å
206	G	98.2	Very high	98.7	Very high	22 Å²	22	42.6 Å²	42.6	23%	0.227	21%	0.206	C	C	.	.			trans	-55.3	150.7	-178.7	0	0	0	0	0	113.5	G171 H172 T201 F203 Q204	G171-G206 CarbonylContact O-C 3.55Å; G171-G206 WeakPolarHBondContact O-CA 3.5Å; H172-G206 WeakPolarHBondContact O-CA 3.44Å; T201-G206 CarbonylContact O-C 3.51Å; T201-G206 VanDerWaalsContact O-CA 3.31Å; T201-G206 WeakPolarHBondContact O-CA 3.43Å; T201-G206 VanDerWaalsContact O-O 3.11Å; F203-G206 WeakPolarHBondContact O-CA 3.39Å; F203-G206 PolarHBondContact O-N 2.94Å; Q204-G206 PolarHBondContact O-N 2.79Å; Q204-G206 VanDerWaalsContact O-N 3.11Å
207	C	98.8	Very high	98.7	Very high	49 Å²	49	45.5 Å²	45.5	33%	0.331	22%	0.222	S	C	.	.			trans	-150.7	114.4	-179.7	174.5	0	0	0	0	110.3	G171 R209 R210 L211	G171-C207 PolarHBondContact O-N 3.01Å; C207-R209 PolarHBondContact O-N 2.73Å; C207-R210 HydrophobicContact CB-CB 3.92Å; C207-R210 PolarHBondContact O-N 3.27Å; C207-L211 WeakPolarHBondContact O-CB 3.28Å; C207-L211 PolarHBondContact O-N 3.09Å
208	S	98.8	Very high	98.7	Very high	13 Å²	13	48 Å²	48	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-45	-179.1	-53.9	0	0	0	0	112.7	T201 R210 L211 Y212 F259 M263	T201-S208 PolarHBondContact OG1-OG 2.81Å; S208-R210 PolarHBondContact O-N 3.26Å; S208-L211 WeakPolarHBondContact O-CB 3.4Å; S208-L211 PolarHBondContact O-N 2.94Å; S208-Y212 PolarHBondContact O-N 3.43Å; S208-F259 WeakPolarHBondContact O-CE1 3.4Å; S208-M263 WeakPolarHBondContact OG-CB 3.18Å
209	R	98.8	Very high	98.7	Very high	101 Å²	101	47.7 Å²	47.7	38%	0.381	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-45.3	179.7	-178.1	170.2	-67.9	-83.2	0.6	111.6	C207 Y212 E213 V256 E257 V260	C207-R209 PolarHBondContact O-N 2.73Å; R209-Y212 WeakPolarHBondContact O-CB 3.48Å; R209-Y212 PolarHBondContact O-N 2.85Å; R209-E213 WeakPolarHBondContact CG-OE1 3.47Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 3.33Å; R209-V256 HydrophobicContact CG-CG2 4.1Å; R209-E257 IonicContact CZ-OE1 3.59Å; R209-E257 IonicContact NH1-OE1 3.67Å; R209-E257 PolarHBondContact NH1-OE1 2.86Å; R209-E257 IonicContact NH2-OE1 2.7Å; R209-E257 PolarHBondContact NH2-OE1 2.78Å; R209-V260 HydrophobicContact CB-CG2 4.13Å
210	R	98.8	Very high	98.7	Very high	72 Å²	72	48.1 Å²	48.1	27%	0.272	23%	0.23	S	C	.	.	H	α-helix	trans	-66.6	-38	177.5	-173	172.9	51.6	-177.5	-2.8	112.3	P170 D174 Q205 C207 S208 E213 S214	P170-R210 HydrophobicContact CB-CG 4.34Å; P170-R210 HydrophobicContact CG-CG 3.99Å; P170-R210 CarbonylContact O-C 3.58Å; D174-R210 IonicContact OD1-CZ 3.81Å; D174-R210 IonicContact OD1-NH1 3.96Å; D174-R210 PolarHBondContact OD1-NH1 2.75Å; D174-R210 IonicContact OD1-NH2 3.96Å; D174-R210 PolarHBondContact OD1-NH2 2.86Å; D174-R210 IonicContact OD2-NH1 3.81Å; Q205-R210 PolarHBondContact O-NH2 2.64Å; C207-R210 HydrophobicContact CB-CB 3.92Å; C207-R210 PolarHBondContact O-N 3.27Å; S208-R210 PolarHBondContact O-N 3.26Å; R210-E213 PolarHBondContact O-N 2.86Å; R210-S214 WeakPolarHBondContact O-CB 3.36Å; R210-S214 PolarHBondContact O-N 3.15Å; R210-S214 PolarHBondContact O-OG 2.9Å; R210-S214 VanDerWaalsContact O-OG 3.09Å
211	L	98.9	Very high	98.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-48	172.6	-178.1	69.8	0	0	0	111.1	H172 T192 C198 T201 C207 S208 S214 V215 F259	H172-L211 HydrophobicContact CB-CD1 4.45Å; T192-L211 HydrophobicContact CG2-CD1 3.63Å; C198-L211 HydrophobicContact CB-CD2 4.03Å; T201-L211 HydrophobicContact CG2-CB 4.05Å; T201-L211 HydrophobicContact CG2-CD2 3.39Å; T201-L211 HydrophobicContact CG2-CG 4.28Å; C207-L211 WeakPolarHBondContact O-CB 3.28Å; C207-L211 PolarHBondContact O-N 3.09Å; S208-L211 WeakPolarHBondContact O-CB 3.4Å; S208-L211 PolarHBondContact O-N 2.94Å; L211-S214 WeakPolarHBondContact O-CB 3.5Å; L211-S214 PolarHBondContact O-N 3.11Å; L211-V215 WeakPolarHBondContact O-CG2 3.04Å; L211-V215 PolarHBondContact O-N 3.15Å; L211-F259 HydrophobicContact CD2-CE1 4.37Å; L211-F259 HydrophobicContact CD2-CZ 3.79Å; L211-F259 HydrophobicContact CG-CZ 4.41Å
212	Y	98.9	Very high	98.7	Very high	36 Å²	36	50 Å²	50	14%	0.141	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-49	178	-176.5	-81.5	0	0	0	111.2	S208 R209 S214 V215 H216 L252 K254 V256 F259	S208-Y212 PolarHBondContact O-N 3.43Å; R209-Y212 WeakPolarHBondContact O-CB 3.48Å; R209-Y212 PolarHBondContact O-N 2.85Å; Y212-S214 PolarHBondContact O-N 3.2Å; Y212-V215 PolarHBondContact O-N 3.14Å; Y212-H216 AromaticContact CD1-CD2 3.83Å; Y212-H216 AromaticContact CE1-CD2 3.53Å; Y212-H216 AromaticContact CE1-CG 3.87Å; Y212-H216 AromaticContact CE1-NE2 3.7Å; Y212-H216 AromaticContact CE2-CD2 3.84Å; Y212-H216 AromaticContact CE2-NE2 3.42Å; Y212-H216 WeakPolarHBondContact CE2-NE2 3.3Å; Y212-H216 AromaticContact CZ-CD2 3.54Å; Y212-H216 AromaticContact CZ-CE1 3.64Å; Y212-H216 AromaticContact CZ-NE2 3.19Å; Y212-H216 WeakPolarHBondContact O-CB 3.24Å; Y212-H216 PolarHBondContact O-CD2 3.16Å; Y212-H216 VanDerWaalsContact O-CD2 3.31Å; Y212-H216 PolarHBondContact O-N 3.06Å; Y212-H216 PolarHBondContact OH-CE1 2.9Å; Y212-H216 VanDerWaalsContact OH-CE1 3.28Å; Y212-H216 PolarHBondContact OH-NE2 3.43Å; Y212-L252 HydrophobicContact CD2-CD2 4.26Å; Y212-K254 WeakPolarHBondContact CE2-O 3.28Å; Y212-K254 PolarHBondContact OH-O 3.07Å; Y212-K254 VanDerWaalsContact OH-O 3.05Å; Y212-V256 HydrophobicContact CD1-CB 3.69Å; Y212-V256 HydrophobicContact CD1-CG2 3.67Å; Y212-V256 HydrophobicContact CD2-CB 4.34Å; Y212-V256 HydrophobicContact CD2-CG2 4.43Å; Y212-V256 HydrophobicContact CE1-CB 3.7Å; Y212-V256 HydrophobicContact CE1-CG2 4.22Å; Y212-V256 HydrophobicContact CE2-CB 4.32Å; Y212-V256 HydrophobicContact CG-CB 4.03Å; Y212-V256 HydrophobicContact CG-CG2 3.8Å; Y212-F259 HydrophobicContact CD2-CB 3.77Å; Y212-F259 AromaticContact CD2-CD1 3.9Å; Y212-F259 HydrophobicContact CD2-CD1 3.9Å; Y212-F259 HydrophobicContact CD2-CD2 4.23Å; Y212-F259 AromaticContact CD2-CG 3.68Å; Y212-F259 HydrophobicContact CD2-CG 3.68Å; Y212-F259 HydrophobicContact CE2-CB 4.18Å; Y212-F259 HydrophobicContact CE2-CG 4.49Å; Y212-F259 HydrophobicContact CG-CD1 4.3Å
213	E	98.9	Very high	98.7	Very high	80 Å²	80	47.4 Å²	47.4	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-46.9	176.9	-72.1	165.1	-175	0	0	111.7	R209 R210 V215 H216 Q217	R209-E213 WeakPolarHBondContact CG-OE1 3.47Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 3.33Å; R210-E213 PolarHBondContact O-N 2.86Å; E213-V215 PolarHBondContact O-N 2.86Å; E213-H216 PolarHBondContact O-N 3.28Å; E213-Q217 VanDerWaalsContact O-CB 3.24Å; E213-Q217 WeakPolarHBondContact O-CB 3.35Å; E213-Q217 VanDerWaalsContact O-CG 3.25Å; E213-Q217 WeakPolarHBondContact O-CG 3.42Å; E213-Q217 PolarHBondContact O-N 2.79Å
214	S	98.9	Very high	98.7	Very high	10 Å²	10	47.3 Å²	47.3	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-55.3	-50.1	175.8	-75.1	0	0	0	0	112	T169 P170 R210 L211 Y212 K218	T169-S214 VanDerWaalsContact C-OG 3.28Å; T169-S214 WeakPolarHBondContact CA-OG 3.45Å; P170-S214 VanDerWaalsContact CD-OG 3.29Å; P170-S214 WeakPolarHBondContact CD-OG 3.43Å; P170-S214 WeakPolarHBondContact O-CB 3.34Å; P170-S214 PolarHBondContact O-OG 2.73Å; R210-S214 WeakPolarHBondContact O-CB 3.36Å; R210-S214 PolarHBondContact O-N 3.15Å; R210-S214 PolarHBondContact O-OG 2.9Å; R210-S214 VanDerWaalsContact O-OG 3.09Å; L211-S214 WeakPolarHBondContact O-CB 3.5Å; L211-S214 PolarHBondContact O-N 3.11Å; Y212-S214 PolarHBondContact O-N 3.2Å; S214-K218 WeakPolarHBondContact O-CA 3.28Å; S214-K218 WeakPolarHBondContact O-CB 3.37Å; S214-K218 PolarHBondContact O-N 3.36Å
215	V	98.9	Very high	98.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-62.6	-49.2	179.7	174.4	0	0	0	0	110.9	T192 L211 Y212 E213 Q217 I219 F220 L252	T192-V215 HydrophobicContact CG2-CG2 3.75Å; L211-V215 WeakPolarHBondContact O-CG2 3.04Å; L211-V215 PolarHBondContact O-N 3.15Å; Y212-V215 PolarHBondContact O-N 3.14Å; E213-V215 PolarHBondContact O-N 2.86Å; V215-Q217 PolarHBondContact O-N 2.76Å; V215-I219 HydrophobicContact CG1-CB 4.48Å; V215-I219 HydrophobicContact CG2-CD1 4.32Å; V215-I219 WeakPolarHBondContact O-CA 3.3Å; V215-I219 WeakPolarHBondContact O-CB 3.39Å; V215-I219 PolarHBondContact O-N 2.93Å; V215-F220 HydrophobicContact CG1-CD1 3.86Å; V215-F220 HydrophobicContact CG1-CD2 4.02Å; V215-F220 HydrophobicContact CG1-CE1 3.63Å; V215-F220 HydrophobicContact CG1-CE2 3.8Å; V215-F220 HydrophobicContact CG1-CG 4.06Å; V215-F220 HydrophobicContact CG1-CZ 3.61Å; V215-F220 PolarHBondContact O-N 3.27Å; V215-L252 HydrophobicContact CB-CD1 4.49Å; V215-L252 HydrophobicContact CB-CD2 4.09Å; V215-L252 HydrophobicContact CG1-CD1 4.04Å; V215-L252 HydrophobicContact CG1-CD2 4.25Å; V215-L252 HydrophobicContact CG2-CD1 4.11Å; V215-L252 HydrophobicContact CG2-CD2 4.06Å
216	H	98.9	Very high	98.7	Very high	63 Å²	63	45.4 Å²	45.4	29%	0.292	23%	0.23	S	C	.	.	I	π-helix	trans	-67.9	-37.5	-175.1	-84.9	-103.2	0	0	0	113.1	Y212 E213 F220 L252	Y212-H216 AromaticContact CD1-CD2 3.83Å; Y212-H216 AromaticContact CE1-CD2 3.53Å; Y212-H216 AromaticContact CE1-CG 3.87Å; Y212-H216 AromaticContact CE1-NE2 3.7Å; Y212-H216 AromaticContact CE2-CD2 3.84Å; Y212-H216 AromaticContact CE2-NE2 3.42Å; Y212-H216 WeakPolarHBondContact CE2-NE2 3.3Å; Y212-H216 AromaticContact CZ-CD2 3.54Å; Y212-H216 AromaticContact CZ-CE1 3.64Å; Y212-H216 AromaticContact CZ-NE2 3.19Å; Y212-H216 WeakPolarHBondContact O-CB 3.24Å; Y212-H216 PolarHBondContact O-CD2 3.16Å; Y212-H216 VanDerWaalsContact O-CD2 3.31Å; Y212-H216 PolarHBondContact O-N 3.06Å; Y212-H216 PolarHBondContact OH-CE1 2.9Å; Y212-H216 VanDerWaalsContact OH-CE1 3.28Å; Y212-H216 PolarHBondContact OH-NE2 3.43Å; E213-H216 PolarHBondContact O-N 3.28Å; H216-F220 AromaticContact NE2-CE2 3.9Å; H216-L252 PolarHBondContact NE2-O 3.49Å
217	Q	98.8	Very high	98.8	Very high	124 Å²	124	46.2 Å²	46.2	58%	0.579	23%	0.229	S	C	*	.	I	π-helix	trans	-88.1	-30.8	-176.1	-62.4	176.5	13.1	0	0	113.1	E213 V215 T221	E213-Q217 VanDerWaalsContact O-CB 3.24Å; E213-Q217 WeakPolarHBondContact O-CB 3.35Å; E213-Q217 VanDerWaalsContact O-CG 3.25Å; E213-Q217 WeakPolarHBondContact O-CG 3.42Å; E213-Q217 PolarHBondContact O-N 2.79Å; V215-Q217 PolarHBondContact O-N 2.76Å; Q217-T221 WeakPolarHBondContact O-CG2 3.43Å; Q217-T221 PolarHBondContact O-OG1 2.86Å
218	K	98.8	Very high	98.8	Very high	59 Å²	59	43.9 Å²	43.9	26%	0.257	21%	0.213	S	C	.	.	I	π-helix	trans	-112.4	-29.3	-171.3	-54.7	-70.4	-166.2	166.3	0	114.2	E153 R167 T169 S214	E153-K218 VanDerWaalsContact CD-NZ 3.29Å; E153-K218 IonicContact OE1-NZ 2.71Å; E153-K218 PolarHBondContact OE1-NZ 3.07Å; E153-K218 IonicContact OE2-NZ 3.37Å; R167-K218 HydrophobicContact CB-CB 4.47Å; R167-K218 WeakPolarHBondContact CD-O 3.41Å; R167-K218 PolarHBondContact NH1-O 3.37Å; T169-K218 HydrophobicContact CG2-CB 3.68Å; T169-K218 HydrophobicContact CG2-CG 4.16Å; S214-K218 WeakPolarHBondContact O-CA 3.28Å; S214-K218 WeakPolarHBondContact O-CB 3.37Å; S214-K218 PolarHBondContact O-N 3.36Å
219	I	98.9	Very high	98.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-104	-48.6	-177.5	-55.2	175.5	0	0	0	110.5	T169 T178 T189 T192 L193 V215 T221 L222 V242	T169-I219 HydrophobicContact CG2-CD1 4.32Å; T169-I219 HydrophobicContact CG2-CG1 4.17Å; T178-I219 HydrophobicContact CG2-CG1 4.43Å; T189-I219 HydrophobicContact CG2-CD1 3.93Å; T189-I219 HydrophobicContact CG2-CG2 4.26Å; T192-I219 HydrophobicContact CG2-CD1 3.99Å; L193-I219 HydrophobicContact CB-CD1 3.96Å; L193-I219 HydrophobicContact CD2-CG2 3.74Å; V215-I219 HydrophobicContact CG1-CB 4.48Å; V215-I219 HydrophobicContact CG2-CD1 4.32Å; V215-I219 WeakPolarHBondContact O-CA 3.3Å; V215-I219 WeakPolarHBondContact O-CB 3.39Å; V215-I219 PolarHBondContact O-N 2.93Å; I219-T221 PolarHBondContact O-N 2.96Å; I219-T221 VanDerWaalsContact O-N 3.14Å; I219-L222 HydrophobicContact CG2-CD1 4.49Å; I219-L222 VanDerWaalsContact O-CB 3.26Å; I219-L222 WeakPolarHBondContact O-CB 3.48Å; I219-L222 WeakPolarHBondContact O-CG 3.3Å; I219-L222 PolarHBondContact O-N 3.16Å; I219-V242 HydrophobicContact CG2-CG2 4.4Å
220	F	98.8	Very high	98.8	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.057	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.8	-179.1	-71	-6.2	0	0	0	114.7	L193 V215 H216 V242 E245 R246 L252	L193-F220 HydrophobicContact CD2-CE1 4.2Å; V215-F220 HydrophobicContact CG1-CD1 3.86Å; V215-F220 HydrophobicContact CG1-CD2 4.02Å; V215-F220 HydrophobicContact CG1-CE1 3.63Å; V215-F220 HydrophobicContact CG1-CE2 3.8Å; V215-F220 HydrophobicContact CG1-CG 4.06Å; V215-F220 HydrophobicContact CG1-CZ 3.61Å; V215-F220 PolarHBondContact O-N 3.27Å; H216-F220 AromaticContact NE2-CE2 3.9Å; F220-V242 HydrophobicContact CD1-CG1 4.37Å; F220-E245 HydrophobicContact CE1-CB 3.88Å; F220-E245 HydrophobicContact CZ-CB 4.25Å; F220-R246 HydrophobicContact CD1-CB 4.39Å; F220-R246 HydrophobicContact CD2-CB 4.37Å; F220-R246 HydrophobicContact CD2-CG 4.18Å; F220-R246 HydrophobicContact CE1-CB 4.42Å; F220-R246 HydrophobicContact CE2-CB 4.4Å; F220-R246 HydrophobicContact CE2-CG 4.47Å; F220-R246 HydrophobicContact CG-CB 4.36Å; F220-R246 HydrophobicContact CG-CG 4.4Å; F220-R246 HydrophobicContact CZ-CB 4.42Å; F220-L252 HydrophobicContact CE2-CB 4.28Å; F220-L252 HydrophobicContact CZ-CB 4.19Å
221	T	98.8	Very high	98.8	Very high	86 Å²	86	35.5 Å²	35.5	53%	0.528	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.1	170.3	54.2	0	0	0	0	113.6	Q217 I219	Q217-T221 WeakPolarHBondContact O-CG2 3.43Å; Q217-T221 PolarHBondContact O-OG1 2.86Å; I219-T221 PolarHBondContact O-N 2.96Å; I219-T221 VanDerWaalsContact O-N 3.14Å
222	L	98.8	Very high	98.8	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.18	C	C	.	.	S	Bend	trans	-71.2	162.9	172	-69.8	168.1	0	0	0	111.7	R167 V180 Q184 A187 I219 C226 V242	R167-L222 VanDerWaalsContact CZ-CD2 3.45Å; V180-L222 HydrophobicContact CG1-CD1 4.43Å; V180-L222 HydrophobicContact CG1-CD2 3.84Å; V180-L222 HydrophobicContact CG2-CD1 4.21Å; Q184-L222 HydrophobicContact CB-CD2 4.16Å; Q184-L222 HydrophobicContact CG-CD2 4.22Å; A187-L222 HydrophobicContact CB-CD1 3.81Å; I219-L222 HydrophobicContact CG2-CD1 4.49Å; I219-L222 VanDerWaalsContact O-CB 3.26Å; I219-L222 WeakPolarHBondContact O-CB 3.48Å; I219-L222 WeakPolarHBondContact O-CG 3.3Å; I219-L222 PolarHBondContact O-N 3.16Å; L222-C226 HydrophobicContact CB-CB 4.19Å; L222-V242 HydrophobicContact CB-CG2 3.99Å; L222-V242 HydrophobicContact CD1-CG2 4.39Å
223	P	98.6	Very high	98.8	Very high	35 Å²	35	34.2 Å²	34.2	23%	0.227	18%	0.176	C	C	.	.			trans	-55	139.9	175.3	-25.3	34.4	0	0	0	111.9	Q184 Q225 C226	Q184-P223 HydrophobicContact CB-CG 4.24Å; P223-Q225 PolarHBondContact O-N 2.81Å; P223-Q225 VanDerWaalsContact O-N 3.07Å; P223-C226 WeakPolarHBondContact O-CB 3.49Å; P223-C226 PolarHBondContact O-N 2.63Å
224	P	98.5	Very high	98.7	Very high	61 Å²	61	37.3 Å²	37.3	40%	0.396	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.8	-177.7	-27	34.8	0	0	0	114.7	C226 G243	P224-C226 VanDerWaalsContact C-N 3.34Å; P224-G243 WeakPolarHBondContact O-CA 3.49Å; P224-G243 PolarHBondContact O-N 3.07Å
225	Q	98	Very high	98.7	Very high	125 Å²	125	44.6 Å²	44.6	58%	0.584	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.3	177.5	73.2	-79.6	11.4	0	0	114.3	P223 L227	P223-Q225 PolarHBondContact O-N 2.81Å; P223-Q225 VanDerWaalsContact O-N 3.07Å; Q225-L227 PolarHBondContact O-N 3.31Å
226	C	98.4	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.			trans	-60.3	124.6	175.5	-177	0	0	0	0	109	Q184 L222 P223 P224 T241 V242	Q184-C226 WeakPolarHBondContact O-CB 3.3Å; Q184-C226 PolarHBondContact O-SG 3.1Å; L222-C226 HydrophobicContact CB-CB 4.19Å; P223-C226 WeakPolarHBondContact O-CB 3.49Å; P223-C226 PolarHBondContact O-N 2.63Å; P224-C226 VanDerWaalsContact C-N 3.34Å; C226-T241 CarbonylContact O-C 3.51Å; C226-T241 VanDerWaalsContact O-CA 3.26Å; C226-T241 WeakPolarHBondContact O-CA 3.34Å; C226-V242 HydrophobicContact CB-CB 4.45Å; C226-V242 HydrophobicContact CB-CG2 3.8Å; C226-V242 PolarHBondContact O-N 2.68Å
227	L	98.8	Very high	98.6	Very high	39 Å²	39	48.2 Å²	48.2	20%	0.204	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	137.6	177.9	-69.1	171.5	0	0	0	110.1	Y50 S185 M186 A187 Q225 F229 S240 T241	Y50-L227 HydrophobicContact CD2-CD1 4.43Å; Y50-L227 HydrophobicContact CG-CD1 4.15Å; S185-L227 PolarHBondContact O-N 3.12Å; M186-L227 CarbonylContact C-O 3.5Å; M186-L227 WeakPolarHBondContact CA-O 3.34Å; M186-L227 HydrophobicContact CG-CB 4.45Å; M186-L227 HydrophobicContact CG-CD1 4.45Å; A187-L227 PolarHBondContact N-O 3.15Å; Q225-L227 PolarHBondContact O-N 3.31Å; L227-F229 HydrophobicContact CB-CD2 4.11Å; L227-F229 HydrophobicContact CB-CE2 3.53Å; L227-F229 HydrophobicContact CB-CZ 4.24Å; L227-F229 HydrophobicContact CD1-CE2 3.92Å; L227-F229 HydrophobicContact CD1-CZ 4.07Å; L227-F229 HydrophobicContact CG-CE2 4.35Å; L227-S240 WeakPolarHBondContact CA-O 3.08Å; L227-T241 HydrophobicContact CD2-CG2 4.02Å
228	V	98.9	Very high	98.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.8	175.9	172.3	0	0	0	0	108.6	T189 L193 A239 S240 V242	T189-V228 HydrophobicContact CG2-CG1 3.99Å; L193-V228 HydrophobicContact CD2-CG1 3.9Å; L193-V228 HydrophobicContact CD2-CG2 4.14Å; L193-V228 HydrophobicContact CG-CG1 4.2Å; V228-A239 WeakPolarHBondContact O-CA 3.26Å; V228-S240 PolarHBondContact N-O 2.87Å; V228-S240 PolarHBondContact O-N 3.43Å; V228-V242 HydrophobicContact CG2-CG2 3.88Å
229	F	98.9	Very high	98.5	Very high	9 Å²	9	44.2 Å²	44.2	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	99.7	179.4	-75	-70.9	0	0	0	109.1	F62 Y75 M186 A187 F188 T189 L227 A239	F62-F229 AromaticContact CE1-CE1 3.77Å; F62-F229 HydrophobicContact CE1-CE1 3.77Å; F62-F229 HydrophobicContact CE1-CE2 4.45Å; F62-F229 AromaticContact CE1-CZ 3.69Å; F62-F229 HydrophobicContact CE1-CZ 3.69Å; F62-F229 AromaticContact CZ-CD1 3.94Å; F62-F229 HydrophobicContact CZ-CD1 3.94Å; F62-F229 HydrophobicContact CZ-CD2 4.46Å; F62-F229 AromaticContact CZ-CE1 3.55Å; F62-F229 HydrophobicContact CZ-CE1 3.55Å; F62-F229 HydrophobicContact CZ-CE2 4.14Å; F62-F229 HydrophobicContact CZ-CG 4.37Å; F62-F229 AromaticContact CZ-CZ 3.66Å; F62-F229 HydrophobicContact CZ-CZ 3.66Å; Y75-F229 HydrophobicContact CE1-CB 3.85Å; Y75-F229 AromaticContact CE1-CD1 3.63Å; Y75-F229 HydrophobicContact CE1-CD1 3.63Å; Y75-F229 HydrophobicContact CE1-CE1 4.49Å; Y75-F229 AromaticContact CE1-CG 3.99Å; Y75-F229 HydrophobicContact CE1-CG 3.99Å; Y75-F229 HydrophobicContact CE2-CB 4.16Å; Y75-F229 WeakPolarHBondContact OH-CB 3.46Å; M186-F229 HydrophobicContact CB-CD2 4.26Å; M186-F229 HydrophobicContact CB-CE2 4.25Å; M186-F229 HydrophobicContact CE-CD2 3.8Å; M186-F229 HydrophobicContact CE-CE2 3.24Å; M186-F229 HydrophobicContact CE-CZ 3.88Å; M186-F229 HydrophobicContact CG-CE2 4.05Å; M186-F229 HydrophobicContact SD-CE2 4.46Å; A187-F229 PolarHBondContact O-N 2.97Å; F188-F229 CarbonylContact C-O 3.54Å; F188-F229 VanDerWaalsContact CA-O 3.25Å; F188-F229 WeakPolarHBondContact CA-O 3.13Å; F188-F229 HydrophobicContact CD1-CB 3.55Å; F188-F229 HydrophobicContact CD1-CD2 4.46Å; F188-F229 HydrophobicContact CD1-CG 4.25Å; F188-F229 HydrophobicContact CE1-CB 3.82Å; F188-F229 AromaticContact CE1-CD2 3.99Å; F188-F229 HydrophobicContact CE1-CD2 3.99Å; F188-F229 HydrophobicContact CE1-CG 4Å; F188-F229 HydrophobicContact CG-CB 4.45Å; F188-F229 HydrophobicContact CZ-CD2 4.44Å; T189-F229 PolarHBondContact N-O 3.18Å; L227-F229 HydrophobicContact CB-CD2 4.11Å; L227-F229 HydrophobicContact CB-CE2 3.53Å; L227-F229 HydrophobicContact CB-CZ 4.24Å; L227-F229 HydrophobicContact CD1-CE2 3.92Å; L227-F229 HydrophobicContact CD1-CZ 4.07Å; L227-F229 HydrophobicContact CG-CE2 4.35Å; F229-A239 HydrophobicContact CD1-CB 4.11Å; F229-A239 HydrophobicContact CE1-CB 3.67Å; F229-A239 HydrophobicContact CZ-CB 4.16Å
230	P	98.9	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	163.7	-177.6	36.2	-39.7	0	0	0	112.2	Y73 Y75 L194 I195 H232	Y73-P230 HydrophobicContact CD2-CG 4.37Å; Y75-P230 WeakPolarHBondContact CE2-O 3.19Å; Y75-P230 PolarHBondContact OH-O 3.16Å; L194-P230 HydrophobicContact CD2-CB 3.72Å; I195-P230 HydrophobicContact CD1-CG 4.1Å; I195-P230 HydrophobicContact CG1-CG 4.01Å; P230-H232 VanDerWaalsContact C-N 3.25Å; P230-H232 WeakPolarHBondContact CB-O 3.37Å; P230-H232 WeakPolarHBondContact CG-O 3.32Å; P230-H232 PolarHBondContact O-N 2.96Å
231	A	98.9	Very high	98.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-69.6	-25.6	169.5	0	0	0	0	0	112.4	T72 Y73 G190	T72-A231 CarbonylContact C-O 3.58Å; T72-A231 WeakPolarHBondContact CA-O 3.48Å; Y73-A231 PolarHBondContact N-O 3.43Å; G190-A231 PolarHBondContact O-N 3.32Å
232	H	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-138.1	150.5	-176.5	-59.3	95.8	0	0	0	113.2	S70 S71 T72 D120 D191 L194 P230 Y234	S70-H232 PolarHBondContact O-CD2 3.29Å; S71-H232 WeakPolarHBondContact O-CA 3.29Å; S71-H232 PolarHBondContact O-CD2 3.12Å; T72-H232 PolarHBondContact OG1-CD2 3.4Å; T72-H232 PolarHBondContact OG1-NE2 3.13Å; D120-H232 IonicContact OD1-CE1 3.92Å; D120-H232 IonicContact OD1-NE2 3.49Å; D120-H232 IonicContact OD2-CD2 2.63Å; D120-H232 IonicContact OD2-CE1 3.54Å; D120-H232 IonicContact OD2-NE2 3.36Å; D120-H232 PolarHBondContact OD2-NE2 2.88Å; D191-H232 VanDerWaalsContact CG-ND1 3.32Å; D191-H232 IonicContact OD1-CE1 3.64Å; D191-H232 IonicContact OD1-CG 2.99Å; D191-H232 IonicContact OD1-ND1 2.68Å; D191-H232 PolarHBondContact OD1-ND1 3.41Å; D191-H232 IonicContact OD2-CE1 3.74Å; D191-H232 IonicContact OD2-ND1 3.57Å; D191-H232 PolarHBondContact OD2-ND1 2.92Å; L194-H232 HydrophobicContact CD2-CB 4.49Å; P230-H232 VanDerWaalsContact C-N 3.25Å; P230-H232 WeakPolarHBondContact CB-O 3.37Å; P230-H232 WeakPolarHBondContact CG-O 3.32Å; P230-H232 PolarHBondContact O-N 2.96Å; H232-Y234 HydrophobicContact CB-CE2 4.02Å
233	D	98.8	Very high	98.5	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.053	23%	0.227	C	C	.	.			trans	-146.1	139.2	161.6	-176.5	-92.3	0	0	0	110.8	S71 Y73 K235 G236 Q237	S71-D233 WeakPolarHBondContact CB-O 3.41Å; Y73-D233 HydrophobicContact CE2-CB 3.63Å; D233-K235 VanDerWaalsContact OD1-C 3.29Å; D233-K235 WeakPolarHBondContact OD1-CA 3.46Å; D233-K235 PolarHBondContact OD1-N 3.14Å; D233-G236 PolarHBondContact OD1-N 2.99Å; D233-Q237 WeakPolarHBondContact CB-O 3.46Å; D233-Q237 PolarHBondContact OD1-N 3.24Å
234	Y	97.9	Very high	98.5	Very high	145 Å²	145	42.9 Å²	42.9	57%	0.569	23%	0.232	S	C	*	.	S	Bend	trans	-113.4	11.8	-174.3	-51	-78.2	0	0	0	112.8	L194 H232	L194-Y234 HydrophobicContact CD1-CE2 4.42Å; H232-Y234 HydrophobicContact CB-CE2 4.02Å
235	K	98	Very high	98.6	Very high	162 Å²	162	40 Å²	40	70%	0.704	21%	0.213	S	C	*	.	S	Bend	trans	-129.7	2.7	-174.1	-63.4	-179.3	-175.9	172.4	0	113.2	D233 Q237	D233-K235 VanDerWaalsContact OD1-C 3.29Å; D233-K235 WeakPolarHBondContact OD1-CA 3.46Å; D233-K235 PolarHBondContact OD1-N 3.14Å; K235-Q237 HydrophobicContact CB-CG 4.25Å
236	G	97.3	Very high	98.6	Very high	67 Å²	67	39.4 Å²	39.4	69%	0.691	21%	0.206	S	C	*	.	S	Bend	trans	79.6	18	-177.3	0	0	0	0	0	114.3	D233	D233-G236 PolarHBondContact OD1-N 2.99Å
237	Q	98.4	Very high	98.6	Very high	72 Å²	72	47.9 Å²	47.9	34%	0.336	24%	0.238	S	C	.	.			trans	-90.2	132.4	177.1	-53.8	-175.4	-56.7	0	0	110.3	Y73 I195 D233 K235	Y73-Q237 PolarHBondContact OH-O 3.31Å; I195-Q237 HydrophobicContact CB-CB 4.46Å; I195-Q237 HydrophobicContact CD1-CB 3.69Å; I195-Q237 WeakPolarHBondContact CD1-O 3.25Å; I195-Q237 HydrophobicContact CG2-CB 4.15Å; D233-Q237 WeakPolarHBondContact CB-O 3.46Å; D233-Q237 PolarHBondContact OD1-N 3.24Å; K235-Q237 HydrophobicContact CB-CG 4.25Å
238	T	98.3	Very high	98.6	Very high	70 Å²	70	52 Å²	52	43%	0.429	25%	0.254	S	S	.	.			trans	-102.5	-25.8	-170.6	54	0	0	0	0	114.5	Q64	Q64-T238 PolarHBondContact NE2-O 3.38Å; Q64-T238 PolarHBondContact OE1-O 3.15Å
239	A	98.4	Very high	98.6	Very high	30 Å²	30	52 Å²	52	25%	0.248	25%	0.254	C	S	.	.			trans	-157.7	160.3	178.7	0	0	0	0	0	111.5	V228 F229	V228-A239 WeakPolarHBondContact O-CA 3.26Å; F229-A239 HydrophobicContact CD1-CB 4.11Å; F229-A239 HydrophobicContact CE1-CB 3.67Å; F229-A239 HydrophobicContact CZ-CB 4.16Å
240	S	98.8	Very high	98.6	Very high	3 Å²	3	55 Å²	55	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	-166.4	167.7	-169.9	0	0	0	0	109.8	L227 V228 E245	L227-S240 WeakPolarHBondContact CA-O 3.08Å; V228-S240 PolarHBondContact N-O 2.87Å; V228-S240 PolarHBondContact O-N 3.43Å; S240-E245 WeakPolarHBondContact CB-OE1 3.47Å; S240-E245 PolarHBondContact OG-OE1 2.87Å
241	T	98.9	Very high	98.6	Very high	24 Å²	24	58.1 Å²	58.1	15%	0.147	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.7	169.1	58.9	0	0	0	0	111.3	C226 L227 G243 E244 E245	C226-T241 CarbonylContact O-C 3.51Å; C226-T241 VanDerWaalsContact O-CA 3.26Å; C226-T241 WeakPolarHBondContact O-CA 3.34Å; L227-T241 HydrophobicContact CD2-CG2 4.02Å; T241-G243 PolarHBondContact O-N 3.3Å; T241-E244 WeakPolarHBondContact CG2-OE1 3.48Å; T241-E244 PolarHBondContact N-OE1 3.31Å; T241-E244 WeakPolarHBondContact O-CB 3.27Å; T241-E244 PolarHBondContact O-N 2.81Å; T241-E244 VanDerWaalsContact O-N 3.16Å; T241-E244 VanDerWaalsContact OG1-CB 3.25Å; T241-E244 WeakPolarHBondContact OG1-CB 3.41Å; T241-E244 WeakPolarHBondContact OG1-CG 3.49Å; T241-E244 PolarHBondContact OG1-N 2.93Å; T241-E244 PolarHBondContact OG1-OE1 2.76Å; T241-E245 PolarHBondContact O-N 2.71Å
242	V	98.9	Very high	98.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-55.9	-42.6	174.2	171.3	0	0	0	0	111.1	I219 F220 L222 C226 V228 E244 E245 R246	I219-V242 HydrophobicContact CG2-CG2 4.4Å; F220-V242 HydrophobicContact CD1-CG1 4.37Å; L222-V242 HydrophobicContact CB-CG2 3.99Å; L222-V242 HydrophobicContact CD1-CG2 4.39Å; C226-V242 HydrophobicContact CB-CB 4.45Å; C226-V242 HydrophobicContact CB-CG2 3.8Å; C226-V242 PolarHBondContact O-N 2.68Å; V228-V242 HydrophobicContact CG2-CG2 3.88Å; V242-E244 PolarHBondContact O-N 2.87Å; V242-E245 PolarHBondContact O-N 2.63Å; V242-R246 VanDerWaalsContact O-CB 3.28Å; V242-R246 WeakPolarHBondContact O-CB 3.46Å; V242-R246 PolarHBondContact O-N 3.04Å
243	G	98.8	Very high	98.5	Very high	11 Å²	11	61 Å²	61	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-36.8	178.5	0	0	0	0	0	113.3	P224 T241 R247	P224-G243 WeakPolarHBondContact O-CA 3.49Å; P224-G243 PolarHBondContact O-N 3.07Å; T241-G243 PolarHBondContact O-N 3.3Å; G243-R247 WeakPolarHBondContact O-CG 3.33Å; G243-R247 PolarHBondContact O-N 3.1Å
244	E	98.9	Very high	98.5	Very high	72 Å²	72	64.7 Å²	64.7	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-49.8	173.7	-81.8	176	-97.9	0	0	112	R196 T241 V242 R246 R247 F248	R196-E244 IonicContact CZ-OE2 3.71Å; R196-E244 VanDerWaalsContact NH1-C 3.27Å; R196-E244 PolarHBondContact NH1-O 2.71Å; R196-E244 VanDerWaalsContact NH1-O 3.1Å; R196-E244 IonicContact NH2-OE2 3.19Å; R196-E244 PolarHBondContact NH2-OE2 3.45Å; T241-E244 WeakPolarHBondContact CG2-OE1 3.48Å; T241-E244 PolarHBondContact N-OE1 3.31Å; T241-E244 WeakPolarHBondContact O-CB 3.27Å; T241-E244 PolarHBondContact O-N 2.81Å; T241-E244 VanDerWaalsContact O-N 3.16Å; T241-E244 VanDerWaalsContact OG1-CB 3.25Å; T241-E244 WeakPolarHBondContact OG1-CB 3.41Å; T241-E244 WeakPolarHBondContact OG1-CG 3.49Å; T241-E244 PolarHBondContact OG1-N 2.93Å; T241-E244 PolarHBondContact OG1-OE1 2.76Å; V242-E244 PolarHBondContact O-N 2.87Å; E244-R246 PolarHBondContact O-N 3.38Å; E244-R247 PolarHBondContact O-N 3.16Å; E244-F248 WeakPolarHBondContact O-CB 3.31Å; E244-F248 WeakPolarHBondContact O-CD2 3.15Å; E244-F248 PolarHBondContact O-N 3.31Å
245	E	98.9	Very high	98.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-38.8	-178.5	-66.1	-50.6	123.7	0	0	111.8	L193 R196 F220 S240 T241 V242 R247 F248 N249	L193-E245 HydrophobicContact CD1-CB 4.29Å; L193-E245 HydrophobicContact CD1-CG 4.25Å; L193-E245 HydrophobicContact CD2-CB 4.21Å; L193-E245 HydrophobicContact CD2-CG 4.12Å; L193-E245 HydrophobicContact CG-CG 4.44Å; R196-E245 WeakPolarHBondContact CA-OE2 3.4Å; R196-E245 IonicContact CZ-OE1 3.71Å; R196-E245 PolarHBondContact N-OE1 2.69Å; R196-E245 PolarHBondContact N-OE2 3.31Å; R196-E245 IonicContact NE-OE1 2.74Å; R196-E245 IonicContact NH1-OE1 2.98Å; R196-E245 PolarHBondContact NH1-OE1 2.7Å; R196-E245 IonicContact NH1-OE2 3.68Å; F220-E245 HydrophobicContact CE1-CB 3.88Å; F220-E245 HydrophobicContact CZ-CB 4.25Å; S240-E245 WeakPolarHBondContact CB-OE1 3.47Å; S240-E245 PolarHBondContact OG-OE1 2.87Å; T241-E245 PolarHBondContact O-N 2.71Å; V242-E245 PolarHBondContact O-N 2.63Å; E245-R247 PolarHBondContact O-N 2.66Å; E245-F248 PolarHBondContact O-N 2.96Å; E245-N249 HydrophobicContact CB-CB 4.42Å; E245-N249 WeakPolarHBondContact O-CB 3.45Å; E245-N249 PolarHBondContact O-N 3.45Å; E245-N249 WeakPolarHBondContact OE2-CB 3.45Å; E245-N249 PolarHBondContact OE2-ND2 2.86Å
246	R	98.6	Very high	98.6	Very high	113 Å²	113	53.6 Å²	53.6	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-24.3	175.4	-169.8	172.6	68.7	-169.1	3.8	113.6	F220 V242 E244 T253	F220-R246 HydrophobicContact CD1-CB 4.39Å; F220-R246 HydrophobicContact CD2-CB 4.37Å; F220-R246 HydrophobicContact CD2-CG 4.18Å; F220-R246 HydrophobicContact CE1-CB 4.42Å; F220-R246 HydrophobicContact CE2-CB 4.4Å; F220-R246 HydrophobicContact CE2-CG 4.47Å; F220-R246 HydrophobicContact CG-CB 4.36Å; F220-R246 HydrophobicContact CG-CG 4.4Å; F220-R246 HydrophobicContact CZ-CB 4.42Å; V242-R246 VanDerWaalsContact O-CB 3.28Å; V242-R246 WeakPolarHBondContact O-CB 3.46Å; V242-R246 PolarHBondContact O-N 3.04Å; E244-R246 PolarHBondContact O-N 3.38Å; R246-T253 WeakPolarHBondContact O-CG2 3.37Å
247	R	98.8	Very high	98.7	Very high	179 Å²	179	55 Å²	55	68%	0.675	27%	0.271	S	S	*	.	H	α-helix	trans	-97.5	-34	-179.7	-73.2	176.7	173.7	-178.5	-0.6	113.3	G243 E244 E245	G243-R247 WeakPolarHBondContact O-CG 3.33Å; G243-R247 PolarHBondContact O-N 3.1Å; E244-R247 PolarHBondContact O-N 3.16Å; E245-R247 PolarHBondContact O-N 2.66Å
248	F	98.8	Very high	98.7	Very high	126 Å²	126	56.2 Å²	56.2	55%	0.553	28%	0.277	S	S	*	.	H	α-helix	trans	-130.8	1.4	-163.1	-51.7	-61.7	0	0	0	114.4	E244 E245 P250	E244-F248 WeakPolarHBondContact O-CB 3.31Å; E244-F248 WeakPolarHBondContact O-CD2 3.15Å; E244-F248 PolarHBondContact O-N 3.31Å; E245-F248 PolarHBondContact O-N 2.96Å; F248-P250 WeakPolarHBondContact O-CD 3.34Å
249	N	98.8	Very high	98.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.			trans	-66.6	118.1	172.5	-169.3	-67.7	0	0	0	109.4	G197 E245 R251 L252 T253	G197-N249 PolarHBondContact N-ND2 3.33Å; G197-N249 PolarHBondContact O-ND2 3.19Å; E245-N249 HydrophobicContact CB-CB 4.42Å; E245-N249 WeakPolarHBondContact O-CB 3.45Å; E245-N249 PolarHBondContact O-N 3.45Å; E245-N249 WeakPolarHBondContact OE2-CB 3.45Å; E245-N249 PolarHBondContact OE2-ND2 2.86Å; N249-R251 PolarHBondContact O-N 3.41Å; N249-R251 VanDerWaalsContact O-N 3.1Å; N249-R251 PolarHBondContact OD1-N 3.49Å; N249-R251 VanDerWaalsContact OD1-N 3.16Å; N249-L252 HydrophobicContact CB-CB 4.14Å; N249-L252 PolarHBondContact OD1-N 3.45Å; N249-T253 HydrophobicContact CB-CG2 4.47Å; N249-T253 WeakPolarHBondContact O-CB 3.37Å; N249-T253 WeakPolarHBondContact O-CG2 3.45Å; N249-T253 PolarHBondContact O-N 2.89Å; N249-T253 PolarHBondContact O-OG1 3.17Å
250	P	98.6	Very high	98.7	Very high	71 Å²	71	53.1 Å²	53.1	46%	0.461	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.8	-169.5	28	-35.7	0	0	0	113.7	R196 F248	R196-P250 WeakPolarHBondContact O-CD 3.37Å; R196-P250 VanDerWaalsContact O-CG 3.32Å; R196-P250 WeakPolarHBondContact O-CG 3.44Å; F248-P250 WeakPolarHBondContact O-CD 3.34Å
251	R	98.6	Very high	98.7	Very high	65 Å²	65	57.8 Å²	57.8	25%	0.245	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-52.3	179.3	-57.5	178.9	-175.5	158.4	-0	111.1	C198 N249 T253 K254 F259 I262	C198-R251 PolarHBondContact O-NH1 2.72Å; C198-R251 VanDerWaalsContact O-NH1 3.08Å; N249-R251 PolarHBondContact O-N 3.41Å; N249-R251 VanDerWaalsContact O-N 3.1Å; N249-R251 PolarHBondContact OD1-N 3.49Å; N249-R251 VanDerWaalsContact OD1-N 3.16Å; R251-T253 PolarHBondContact O-N 2.85Å; R251-K254 VanDerWaalsContact O-CB 3.26Å; R251-K254 WeakPolarHBondContact O-CB 3.48Å; R251-K254 VanDerWaalsContact O-CG 3.3Å; R251-K254 WeakPolarHBondContact O-CG 3.18Å; R251-K254 PolarHBondContact O-N 2.96Å; R251-K254 VanDerWaalsContact O-N 3.15Å; R251-F259 HydrophobicContact CB-CD2 3.84Å; R251-F259 HydrophobicContact CB-CE2 3.83Å; R251-I262 HydrophobicContact CG-CG2 4.35Å
252	L	98.7	Very high	98.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.4	-170.2	-69.5	159.3	0	0	0	114.4	L193 C198 Y212 V215 H216 F220 N249 F259	L193-L252 HydrophobicContact CD1-CD1 3.48Å; L193-L252 VanDerWaalsContact CD1-CD1 3.48Å; C198-L252 HydrophobicContact CB-CD1 4.08Å; Y212-L252 HydrophobicContact CD2-CD2 4.26Å; V215-L252 HydrophobicContact CB-CD1 4.49Å; V215-L252 HydrophobicContact CB-CD2 4.09Å; V215-L252 HydrophobicContact CG1-CD1 4.04Å; V215-L252 HydrophobicContact CG1-CD2 4.25Å; V215-L252 HydrophobicContact CG2-CD1 4.11Å; V215-L252 HydrophobicContact CG2-CD2 4.06Å; H216-L252 PolarHBondContact NE2-O 3.49Å; F220-L252 HydrophobicContact CE2-CB 4.28Å; F220-L252 HydrophobicContact CZ-CB 4.19Å; N249-L252 HydrophobicContact CB-CB 4.14Å; N249-L252 PolarHBondContact OD1-N 3.45Å; L252-F259 HydrophobicContact CD2-CD2 4.17Å; L252-F259 HydrophobicContact CD2-CE2 3.66Å; L252-F259 HydrophobicContact CD2-CZ 4.02Å; L252-F259 HydrophobicContact CG-CE2 4Å
253	T	98.6	Very high	98.7	Very high	62 Å²	62	60.1 Å²	60.1	38%	0.38	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.6	169.9	56.9	0	0	0	0	113.6	R246 N249 R251	R246-T253 WeakPolarHBondContact O-CG2 3.37Å; N249-T253 HydrophobicContact CB-CG2 4.47Å; N249-T253 WeakPolarHBondContact O-CB 3.37Å; N249-T253 WeakPolarHBondContact O-CG2 3.45Å; N249-T253 PolarHBondContact O-N 2.89Å; N249-T253 PolarHBondContact O-OG1 3.17Å; R251-T253 PolarHBondContact O-N 2.85Å
254	K	98.7	Very high	98.6	Very high	87 Å²	87	64.1 Å²	64.1	38%	0.378	31%	0.312	S	S	.	.	S	Bend	trans	-78.2	169.3	175.8	-57	-58.5	-177.4	-180	0	111.3	Y212 R251 E258 I262	Y212-K254 WeakPolarHBondContact CE2-O 3.28Å; Y212-K254 PolarHBondContact OH-O 3.07Å; Y212-K254 VanDerWaalsContact OH-O 3.05Å; R251-K254 VanDerWaalsContact O-CB 3.26Å; R251-K254 WeakPolarHBondContact O-CB 3.48Å; R251-K254 VanDerWaalsContact O-CG 3.3Å; R251-K254 WeakPolarHBondContact O-CG 3.18Å; R251-K254 PolarHBondContact O-N 2.96Å; R251-K254 VanDerWaalsContact O-N 3.15Å; K254-E258 HydrophobicContact CB-CB 3.78Å; K254-E258 WeakPolarHBondContact CB-OE2 3.05Å; K254-I262 HydrophobicContact CG-CD1 4.06Å
255	S	98.8	Very high	98.6	Very high	48 Å²	48	66 Å²	66	34%	0.336	32%	0.324	S	S	.	.			trans	-62.8	161.1	166.4	73.9	0	0	0	0	110.4	E257 E258 F259	S255-E257 VanDerWaalsContact C-N 3.25Å; S255-E257 PolarHBondContact O-N 3.18Å; S255-E258 PolarHBondContact N-OE2 3.42Å; S255-E258 VanDerWaalsContact N-OE2 3.1Å; S255-E258 PolarHBondContact O-N 2.93Å; S255-E258 WeakPolarHBondContact OG-CB 3.19Å; S255-E258 WeakPolarHBondContact OG-CG 3.46Å; S255-E258 PolarHBondContact OG-N 3.3Å; S255-F259 WeakPolarHBondContact O-CB 3.34Å; S255-F259 PolarHBondContact O-N 2.96Å
256	V	98.8	Very high	98.4	Very high	25 Å²	25	68.3 Å²	68.3	15%	0.152	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-34	179.5	61.9	0	0	0	0	111.6	R209 Y212 F259 V260	R209-V256 HydrophobicContact CG-CG2 4.1Å; Y212-V256 HydrophobicContact CD1-CB 3.69Å; Y212-V256 HydrophobicContact CD1-CG2 3.67Å; Y212-V256 HydrophobicContact CD2-CB 4.34Å; Y212-V256 HydrophobicContact CD2-CG2 4.43Å; Y212-V256 HydrophobicContact CE1-CB 3.7Å; Y212-V256 HydrophobicContact CE1-CG2 4.22Å; Y212-V256 HydrophobicContact CE2-CB 4.32Å; Y212-V256 HydrophobicContact CG-CB 4.03Å; Y212-V256 HydrophobicContact CG-CG2 3.8Å; V256-F259 PolarHBondContact O-N 3.15Å; V256-V260 HydrophobicContact CG2-CG2 4.45Å; V256-V260 WeakPolarHBondContact O-CB 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.47Å; V256-V260 PolarHBondContact O-N 2.74Å
257	E	98.8	Very high	98.2	Very high	97 Å²	97	69.8 Å²	69.8	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-51.9	174.5	-71.5	60.7	-134.3	0	0	111.4	R209 S255 F259 V260 D261	R209-E257 IonicContact CZ-OE1 3.59Å; R209-E257 IonicContact NH1-OE1 3.67Å; R209-E257 PolarHBondContact NH1-OE1 2.86Å; R209-E257 IonicContact NH2-OE1 2.7Å; R209-E257 PolarHBondContact NH2-OE1 2.78Å; S255-E257 VanDerWaalsContact C-N 3.25Å; S255-E257 PolarHBondContact O-N 3.18Å; E257-F259 VanDerWaalsContact C-N 3.26Å; E257-F259 PolarHBondContact O-N 2.77Å; E257-V260 PolarHBondContact O-N 3.45Å; E257-D261 PolarHBondContact O-N 2.99Å
258	E	98.7	Very high	98	Very high	98 Å²	98	65.2 Å²	65.2	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-39.1	176.7	-74	178.7	136.1	0	0	111.6	K254 S255 D261 I262	K254-E258 HydrophobicContact CB-CB 3.78Å; K254-E258 WeakPolarHBondContact CB-OE2 3.05Å; S255-E258 PolarHBondContact N-OE2 3.42Å; S255-E258 VanDerWaalsContact N-OE2 3.1Å; S255-E258 PolarHBondContact O-N 2.93Å; S255-E258 WeakPolarHBondContact OG-CB 3.19Å; S255-E258 WeakPolarHBondContact OG-CG 3.46Å; S255-E258 PolarHBondContact OG-N 3.3Å; E258-D261 PolarHBondContact O-N 3.24Å; E258-I262 WeakPolarHBondContact O-CB 3.26Å; E258-I262 WeakPolarHBondContact O-CD1 3.26Å; E258-I262 WeakPolarHBondContact O-CG1 3.39Å; E258-I262 PolarHBondContact O-N 3.47Å
259	F	98.9	Very high	97.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-49.2	175.6	175.5	-95.9	0	0	0	111.9	S208 L211 Y212 R251 L252 S255 V256 E257 D261 I262 M263	S208-F259 WeakPolarHBondContact O-CE1 3.4Å; L211-F259 HydrophobicContact CD2-CE1 4.37Å; L211-F259 HydrophobicContact CD2-CZ 3.79Å; L211-F259 HydrophobicContact CG-CZ 4.41Å; Y212-F259 HydrophobicContact CD2-CB 3.77Å; Y212-F259 AromaticContact CD2-CD1 3.9Å; Y212-F259 HydrophobicContact CD2-CD1 3.9Å; Y212-F259 HydrophobicContact CD2-CD2 4.23Å; Y212-F259 AromaticContact CD2-CG 3.68Å; Y212-F259 HydrophobicContact CD2-CG 3.68Å; Y212-F259 HydrophobicContact CE2-CB 4.18Å; Y212-F259 HydrophobicContact CE2-CG 4.49Å; Y212-F259 HydrophobicContact CG-CD1 4.3Å; R251-F259 HydrophobicContact CB-CD2 3.84Å; R251-F259 HydrophobicContact CB-CE2 3.83Å; L252-F259 HydrophobicContact CD2-CD2 4.17Å; L252-F259 HydrophobicContact CD2-CE2 3.66Å; L252-F259 HydrophobicContact CD2-CZ 4.02Å; L252-F259 HydrophobicContact CG-CE2 4Å; S255-F259 WeakPolarHBondContact O-CB 3.34Å; S255-F259 PolarHBondContact O-N 2.96Å; V256-F259 PolarHBondContact O-N 3.15Å; E257-F259 VanDerWaalsContact C-N 3.26Å; E257-F259 PolarHBondContact O-N 2.77Å; F259-D261 VanDerWaalsContact C-N 3.3Å; F259-D261 PolarHBondContact O-N 3.26Å; F259-I262 PolarHBondContact O-N 3.4Å; F259-M263 HydrophobicContact CD1-CG 4.16Å; F259-M263 HydrophobicContact CD2-CG 4.24Å; F259-M263 HydrophobicContact CE1-CG 3.7Å; F259-M263 HydrophobicContact CE2-CG 3.81Å; F259-M263 HydrophobicContact CE2-SD 4.07Å; F259-M263 HydrophobicContact CG-CG 4.41Å; F259-M263 HydrophobicContact CZ-CG 3.52Å; F259-M263 HydrophobicContact CZ-SD 4.03Å; F259-M263 WeakPolarHBondContact O-CB 3.44Å; F259-M263 VanDerWaalsContact O-CG 3.26Å; F259-M263 WeakPolarHBondContact O-CG 3.47Å; F259-M263 PolarHBondContact O-N 3.18Å
260	V	98.8	Very high	97.8	Very high	34 Å²	34	69.4 Å²	69.4	21%	0.206	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-43.1	178.4	168.6	0	0	0	0	110.5	R209 V256 E257 M263 T264	R209-V260 HydrophobicContact CB-CG2 4.13Å; V256-V260 HydrophobicContact CG2-CG2 4.45Å; V256-V260 WeakPolarHBondContact O-CB 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.47Å; V256-V260 PolarHBondContact O-N 2.74Å; E257-V260 PolarHBondContact O-N 3.45Å; V260-M263 PolarHBondContact O-N 3.44Å; V260-T264 WeakPolarHBondContact O-CB 3.26Å; V260-T264 PolarHBondContact O-N 3.5Å; V260-T264 PolarHBondContact O-OG1 2.99Å
261	D	98.7	Very high	97.7	Very high	102 Å²	102	67.3 Å²	67.3	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-46.6	177.4	-71.3	-14.3	0	0	0	111.5	E257 E258 F259 M263 T264 N265	E257-D261 PolarHBondContact O-N 2.99Å; E258-D261 PolarHBondContact O-N 3.24Å; F259-D261 VanDerWaalsContact C-N 3.3Å; F259-D261 PolarHBondContact O-N 3.26Å; D261-M263 PolarHBondContact O-N 2.98Å; D261-T264 PolarHBondContact O-N 2.85Å; D261-N265 PolarHBondContact O-N 3.33Å; D261-N265 PolarHBondContact O-ND2 3.44Å
262	I	98.6	Very high	97.6	Very high	60 Å²	60	69.2 Å²	69.2	31%	0.308	39%	0.387	S	S	.	.	H	α-helix	trans	-58	-50.8	176.3	-71.6	162.5	0	0	0	110.6	R251 K254 E258 F259 T264 N265 L266	R251-I262 HydrophobicContact CG-CG2 4.35Å; K254-I262 HydrophobicContact CG-CD1 4.06Å; E258-I262 WeakPolarHBondContact O-CB 3.26Å; E258-I262 WeakPolarHBondContact O-CD1 3.26Å; E258-I262 WeakPolarHBondContact O-CG1 3.39Å; E258-I262 PolarHBondContact O-N 3.47Å; F259-I262 PolarHBondContact O-N 3.4Å; I262-T264 VanDerWaalsContact C-N 3.33Å; I262-T264 PolarHBondContact O-N 2.95Å; I262-N265 PolarHBondContact O-N 2.95Å; I262-L266 HydrophobicContact CG2-CD2 4.37Å; I262-L266 WeakPolarHBondContact O-CG 3.38Å; I262-L266 PolarHBondContact O-N 2.98Å
263	M	98.4	Very high	97.5	Very high	12 Å²	12	72.5 Å²	72.5	6%	0.059	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-37.7	-175.2	-68.4	-58.3	-68.5	0	0	112.3	G199 T201 S208 F259 V260 D261 N265 L266	G199-M263 VanDerWaalsContact O-CE 3.27Å; G199-M263 WeakPolarHBondContact O-CE 3.49Å; T201-M263 HydrophobicContact CG2-CE 4.06Å; S208-M263 WeakPolarHBondContact OG-CB 3.18Å; F259-M263 HydrophobicContact CD1-CG 4.16Å; F259-M263 HydrophobicContact CD2-CG 4.24Å; F259-M263 HydrophobicContact CE1-CG 3.7Å; F259-M263 HydrophobicContact CE2-CG 3.81Å; F259-M263 HydrophobicContact CE2-SD 4.07Å; F259-M263 HydrophobicContact CG-CG 4.41Å; F259-M263 HydrophobicContact CZ-CG 3.52Å; F259-M263 HydrophobicContact CZ-SD 4.03Å; F259-M263 WeakPolarHBondContact O-CB 3.44Å; F259-M263 VanDerWaalsContact O-CG 3.26Å; F259-M263 WeakPolarHBondContact O-CG 3.47Å; F259-M263 PolarHBondContact O-N 3.18Å; V260-M263 PolarHBondContact O-N 3.44Å; D261-M263 PolarHBondContact O-N 2.98Å; M263-N265 VanDerWaalsContact C-N 3.25Å; M263-N265 PolarHBondContact O-N 3.34Å; M263-L266 HydrophobicContact CE-CD1 4.01Å; M263-L266 HydrophobicContact SD-CD1 3.82Å
264	T	96.9	Very high	97.4	Very high	95 Å²	95	70.2 Å²	70.2	58%	0.583	39%	0.386	S	S	*	.	H	α-helix	trans	-65.1	-30.2	177.4	-56.4	0	0	0	0	112.1	V260 D261 I262	V260-T264 WeakPolarHBondContact O-CB 3.26Å; V260-T264 PolarHBondContact O-N 3.5Å; V260-T264 PolarHBondContact O-OG1 2.99Å; D261-T264 PolarHBondContact O-N 2.85Å; I262-T264 VanDerWaalsContact C-N 3.33Å; I262-T264 PolarHBondContact O-N 2.95Å
265	N	97.6	Very high	97.3	Very high	111 Å²	111	71.3 Å²	71.3	59%	0.594	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	11.9	-173.8	-70.1	-68.2	0	0	0	114.3	D261 I262 M263 N267	D261-N265 PolarHBondContact O-N 3.33Å; D261-N265 PolarHBondContact O-ND2 3.44Å; I262-N265 PolarHBondContact O-N 2.95Å; M263-N265 VanDerWaalsContact C-N 3.25Å; M263-N265 PolarHBondContact O-N 3.34Å; N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 3.49Å; N265-N267 PolarHBondContact O-ND2 3.14Å; N265-N267 VanDerWaalsContact O-ND2 3.12Å
266	L	95.1	Very high	97.2	Very high	50 Å²	50	73.8 Å²	73.8	26%	0.262	40%	0.404	S	S	.	.			trans	-69.2	-24.2	179.7	-67.8	178.3	0	0	0	113.8	I262 M263 L268	I262-L266 HydrophobicContact CG2-CD2 4.37Å; I262-L266 WeakPolarHBondContact O-CG 3.38Å; I262-L266 PolarHBondContact O-N 2.98Å; M263-L266 HydrophobicContact CE-CD1 4.01Å; M263-L266 HydrophobicContact SD-CD1 3.82Å; L266-L268 HydrophobicContact CB-CD1 4.35Å; L266-L268 HydrophobicContact CB-CD2 4.45Å; L266-L268 HydrophobicContact CB-CG 3.91Å; L266-L268 HydrophobicContact CD1-CD1 4.31Å; L266-L268 PolarHBondContact O-N 3.31Å; L266-L268 VanDerWaalsContact O-N 3.15Å
267	N	94.4	Very high	97.2	Very high	144 Å²	144	72.6 Å²	72.6	77%	0.77	40%	0.398	S	S	*	.			trans	47.7	42.8	177.5	-64.2	-57	0	0	0	114	N265	N265-N267 VanDerWaalsContact C-N 3.29Å; N265-N267 PolarHBondContact O-N 3.49Å; N265-N267 PolarHBondContact O-ND2 3.14Å; N265-N267 VanDerWaalsContact O-ND2 3.12Å
268	L	95.4	Very high	97.2	Very high	82 Å²	82	69.3 Å²	69.3	43%	0.429	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-75.3	144.4	-178.3	-61.9	178.8	0	0	0	111.1	R200 L266	R200-L268 HydrophobicContact CB-CD1 4.41Å; R200-L268 PolarHBondContact NH2-O 3.03Å; L266-L268 HydrophobicContact CB-CD1 4.35Å; L266-L268 HydrophobicContact CB-CD2 4.45Å; L266-L268 HydrophobicContact CB-CG 3.91Å; L266-L268 HydrophobicContact CD1-CD1 4.31Å; L266-L268 PolarHBondContact O-N 3.31Å; L266-L268 VanDerWaalsContact O-N 3.15Å
269	P	96.6	Very high	97.1	Very high	106 Å²	106	67.1 Å²	67.1	69%	0.688	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-60.1	155.8	172.8	27.8	-34.9	0	0	0	110.7	R200	R200-P269 PolarHBondContact NH1-O 2.69Å; R200-P269 PolarHBondContact NH2-O 2.88Å
270	K	96.8	Very high	97.1	Very high	109 Å²	109	67.2 Å²	67.2	47%	0.474	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-53.4	135.3	169.6	-177.1	179.4	-178.5	-174.4	0	109.4	F203 A272 I274 D275	F203-K270 HydrophobicContact CE1-CG 3.95Å; F203-K270 HydrophobicContact CZ-CB 4.12Å; F203-K270 HydrophobicContact CZ-CG 3.93Å; K270-A272 PolarHBondContact O-N 2.94Å; K270-I274 HydrophobicContact CD-CG2 4.3Å; K270-I274 HydrophobicContact CG-CG2 4.01Å; K270-D275 WeakPolarHBondContact CE-OD1 3.47Å; K270-D275 WeakPolarHBondContact CE-OD2 3.24Å; K270-D275 IonicContact NZ-OD1 2.74Å; K270-D275 PolarHBondContact NZ-OD1 3.28Å; K270-D275 IonicContact NZ-OD2 3.89Å; K270-D275 PolarHBondContact NZ-OD2 2.86Å
271	P	95.9	Very high	97.1	Very high	26 Å²	26	65.9 Å²	65.9	17%	0.169	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-60	134.1	178.3	-15.7	25.6	0	0	0	111.1	K273 I274	P271-K273 VanDerWaalsContact C-N 3.31Å; P271-K273 PolarHBondContact O-N 3.43Å; P271-I274 HydrophobicContact CB-CB 4.11Å; P271-I274 HydrophobicContact CG-CB 4.35Å; P271-I274 HydrophobicContact CG-CD1 4.23Å; P271-I274 VanDerWaalsContact O-CG2 3.3Å; P271-I274 WeakPolarHBondContact O-CG2 3.49Å; P271-I274 PolarHBondContact O-N 3.34Å
272	A	96	Very high	97.1	Very high	106 Å²	106	64.1 Å²	64.1	88%	0.876	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.7	-167.4	0	0	0	0	0	114.2	K270	K270-A272 PolarHBondContact O-N 2.94Å
273	K	96.1	Very high	97	Very high	68 Å²	68	64.4 Å²	64.4	30%	0.296	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	2.7	-177.6	-72.1	-166.4	-177.4	175.9	0	114.2	E93 A119 D120 P271 D275 I276 A277	E93-K273 IonicContact OE1-NZ 3.95Å; E93-K273 PolarHBondContact OE1-NZ 3.14Å; A119-K273 CarbonylContact O-C 3.5Å; A119-K273 VanDerWaalsContact O-C 3.23Å; D120-K273 WeakPolarHBondContact O-CD 3.34Å; P271-K273 VanDerWaalsContact C-N 3.31Å; P271-K273 PolarHBondContact O-N 3.43Å; K273-D275 VanDerWaalsContact C-N 3.27Å; K273-D275 PolarHBondContact O-N 3.4Å; K273-D275 VanDerWaalsContact O-N 3.14Å; K273-I276 PolarHBondContact O-N 2.99Å; K273-A277 HydrophobicContact CB-CB 4.37Å; K273-A277 WeakPolarHBondContact O-CB 3.48Å; K273-A277 PolarHBondContact O-N 2.93Å
274	I	97.5	Very high	96.9	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.077	37%	0.365	C	S	.	.	H	α-helix	trans	-57.9	-37.9	-170	-167.3	169.8	0	0	0	113.4	A119 F203 Q204 K270 P271 I276 V278	A119-I274 HydrophobicContact CB-CB 4.16Å; A119-I274 HydrophobicContact CB-CD1 4.16Å; A119-I274 HydrophobicContact CB-CG1 3.78Å; A119-I274 VanDerWaalsContact O-CA 3.31Å; A119-I274 WeakPolarHBondContact O-CA 3.37Å; A119-I274 PolarHBondContact O-N 3.28Å; A119-I274 VanDerWaalsContact O-N 3.14Å; F203-I274 HydrophobicContact CB-CD1 3.95Å; F203-I274 HydrophobicContact CD1-CD1 3.6Å; F203-I274 HydrophobicContact CE1-CD1 4.43Å; F203-I274 HydrophobicContact CG-CD1 3.97Å; Q204-I274 HydrophobicContact CG-CD1 4.35Å; K270-I274 HydrophobicContact CD-CG2 4.3Å; K270-I274 HydrophobicContact CG-CG2 4.01Å; P271-I274 HydrophobicContact CB-CB 4.11Å; P271-I274 HydrophobicContact CG-CB 4.35Å; P271-I274 HydrophobicContact CG-CD1 4.23Å; P271-I274 VanDerWaalsContact O-CG2 3.3Å; P271-I274 WeakPolarHBondContact O-CG2 3.49Å; P271-I274 PolarHBondContact O-N 3.34Å; I274-I276 PolarHBondContact O-N 2.86Å; I274-V278 HydrophobicContact CG1-CG2 3.62Å; I274-V278 WeakPolarHBondContact O-CB 3.29Å; I274-V278 WeakPolarHBondContact O-CG2 3.19Å; I274-V278 PolarHBondContact O-N 3.09Å; I274-V278 VanDerWaalsContact O-N 3.14Å
275	D	97.1	Very high	96.9	Very high	109 Å²	109	59.9 Å²	59.9	58%	0.583	34%	0.34	S	S	*	.	H	α-helix	trans	-72.3	-12.5	-178.2	-60.4	-36.5	0	0	0	113.3	K270 K273 P279	K270-D275 WeakPolarHBondContact CE-OD1 3.47Å; K270-D275 WeakPolarHBondContact CE-OD2 3.24Å; K270-D275 IonicContact NZ-OD1 2.74Å; K270-D275 PolarHBondContact NZ-OD1 3.28Å; K270-D275 IonicContact NZ-OD2 3.89Å; K270-D275 PolarHBondContact NZ-OD2 2.86Å; K273-D275 VanDerWaalsContact C-N 3.27Å; K273-D275 PolarHBondContact O-N 3.4Å; K273-D275 VanDerWaalsContact O-N 3.14Å; D275-P279 WeakPolarHBondContact O-CG 3.25Å
276	I	96.9	Very high	96.4	Very high	100 Å²	100	59 Å²	59	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-108.9	-49.6	179	-58.9	172.8	0	0	0	109.7	I122 K273 I274 A280	I122-I276 HydrophobicContact CD1-CG2 4.3Å; K273-I276 PolarHBondContact O-N 2.99Å; I274-I276 PolarHBondContact O-N 2.86Å; I276-A280 WeakPolarHBondContact O-CB 3.41Å; I276-A280 PolarHBondContact O-N 3.38Å
277	A	97.8	Very high	95.2	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-48.2	-176.1	0	0	0	0	0	112	H121 K273 A280 N281	H121-A277 WeakPolarHBondContact O-CB 3.33Å; K273-A277 HydrophobicContact CB-CB 4.37Å; K273-A277 WeakPolarHBondContact O-CB 3.48Å; K273-A277 PolarHBondContact O-N 2.93Å; A277-A280 PolarHBondContact O-N 3.14Å; A277-N281 WeakPolarHBondContact O-CB 3.33Å; A277-N281 PolarHBondContact O-N 2.72Å; A277-N281 PolarHBondContact O-ND2 3.1Å; A277-N281 VanDerWaalsContact O-ND2 3.17Å
278	V	98.2	Very high	93.6	Very high	27 Å²	27	63 Å²	63	16%	0.164	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-50.2	-175.8	175.2	0	0	0	0	111.7	A119 Q204 I274 A280 N281 L282	A119-V278 HydrophobicContact CB-CG2 3.98Å; Q204-V278 HydrophobicContact CG-CG2 4.34Å; I274-V278 HydrophobicContact CG1-CG2 3.62Å; I274-V278 WeakPolarHBondContact O-CB 3.29Å; I274-V278 WeakPolarHBondContact O-CG2 3.19Å; I274-V278 PolarHBondContact O-N 3.09Å; I274-V278 VanDerWaalsContact O-N 3.14Å; V278-A280 VanDerWaalsContact C-N 3.3Å; V278-A280 PolarHBondContact O-N 2.97Å; V278-N281 PolarHBondContact O-N 3.49Å; V278-L282 HydrophobicContact CG1-CD1 4.1Å; V278-L282 HydrophobicContact CG1-CG 4.31Å; V278-L282 VanDerWaalsContact O-CG 3.3Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 3.16Å
279	P	97.9	Very high	91.6	Very high	53 Å²	53	66.7 Å²	66.7	34%	0.344	37%	0.373	S	S	.	.	H	α-helix	trans	-57	-42.4	175.3	-27	36.6	0	0	0	113	D275	D275-P279 WeakPolarHBondContact O-CG 3.25Å
280	A	98	Very high	91.3	Very high	2 Å²	2	64.8 Å²	64.8	2%	0.017	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-41.6	178.3	0	0	0	0	0	112.4	I122 I276 A277 V278 V283 G285 H287	I122-A280 HydrophobicContact CD1-CB 4.18Å; I122-A280 HydrophobicContact CG1-CB 3.99Å; I122-A280 HydrophobicContact CG2-CB 3.94Å; I276-A280 WeakPolarHBondContact O-CB 3.41Å; I276-A280 PolarHBondContact O-N 3.38Å; A277-A280 PolarHBondContact O-N 3.14Å; V278-A280 VanDerWaalsContact C-N 3.3Å; V278-A280 PolarHBondContact O-N 2.97Å; A280-V283 CarbonylContact O-C 3.5Å; A280-V283 VanDerWaalsContact O-CG2 3.27Å; A280-V283 WeakPolarHBondContact O-CG2 3.35Å; A280-V283 PolarHBondContact O-N 3.48Å; A280-G285 VanDerWaalsContact O-CA 3.31Å; A280-G285 WeakPolarHBondContact O-CA 3.16Å; A280-G285 PolarHBondContact O-N 2.89Å; A280-H287 HydrophobicContact CB-CB 3.76Å
281	N	98.4	Very high	91	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.032	35%	0.351	C	S	.	.	H	α-helix	trans	-73.2	-30.1	-177.4	-68.8	-19.8	0	0	0	112.7	C117 H118 H121 I122 T123 A277 V278 V283 C284	C117-N281 VanDerWaalsContact SG-CB 3.55Å; H118-N281 PolarHBondContact O-ND2 3.36Å; H121-N281 PolarHBondContact O-ND2 3.07Å; I122-N281 WeakPolarHBondContact CA-OD1 3.36Å; T123-N281 WeakPolarHBondContact CG2-OD1 3.47Å; T123-N281 PolarHBondContact N-OD1 2.99Å; A277-N281 WeakPolarHBondContact O-CB 3.33Å; A277-N281 PolarHBondContact O-N 2.72Å; A277-N281 PolarHBondContact O-ND2 3.1Å; A277-N281 VanDerWaalsContact O-ND2 3.17Å; V278-N281 PolarHBondContact O-N 3.49Å; N281-V283 PolarHBondContact O-N 3.31Å; N281-C284 PolarHBondContact O-N 3.35Å; N281-C284 VanDerWaalsContact O-N 3.09Å
282	L	98.2	Very high	90.8	Very high	64 Å²	64	64.4 Å²	64.4	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-24.7	171.7	-74	172	0	0	0	112.8	A145 S146 V278	A145-L282 CarbonylContact C-O 3.55Å; A145-L282 WeakPolarHBondContact CA-O 3.2Å; A145-L282 HydrophobicContact CB-CD2 4.21Å; S146-L282 PolarHBondContact N-O 3.05Å; V278-L282 HydrophobicContact CG1-CD1 4.1Å; V278-L282 HydrophobicContact CG1-CG 4.31Å; V278-L282 VanDerWaalsContact O-CG 3.3Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 3.16Å
283	V	97.6	Very high	90.5	Very high	67 Å²	67	62 Å²	62	41%	0.406	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	34.2	175.9	-61.3	0	0	0	0	112.3	A280 N281 G285 L286 H287	A280-V283 CarbonylContact O-C 3.5Å; A280-V283 VanDerWaalsContact O-CG2 3.27Å; A280-V283 WeakPolarHBondContact O-CG2 3.35Å; A280-V283 PolarHBondContact O-N 3.48Å; N281-V283 PolarHBondContact O-N 3.31Å; V283-G285 PolarHBondContact O-N 3.3Å; V283-L286 WeakPolarHBondContact O-CB 3.44Å; V283-L286 PolarHBondContact O-N 3.37Å; V283-L286 VanDerWaalsContact O-N 3.12Å; V283-H287 HydrophobicContact CG2-CB 4.05Å
284	C	97.2	Very high	90.1	Very high	7 Å²	7	61.6 Å²	61.6	5%	0.047	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	25.4	174	-161.1	0	0	0	0	114.2	T125 G126 S137 S146 N281 L286	T125-C284 PolarHBondContact OG1-SG 2.68Å; G126-C284 WeakPolarHBondContact CA-O 3.25Å; G126-C284 PolarHBondContact N-O 2.93Å; S137-C284 PolarHBondContact OG-SG 2.93Å; S146-C284 WeakPolarHBondContact O-CB 3.42Å; N281-C284 PolarHBondContact O-N 3.35Å; N281-C284 VanDerWaalsContact O-N 3.09Å; C284-L286 PolarHBondContact O-N 3.28Å
285	G	95.1	Very high	89.6	Confident	5 Å²	5	64.7 Å²	64.7	5%	0.052	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	13.9	-177.4	0	0	0	0	0	114	A280 V283 H287	A280-G285 VanDerWaalsContact O-CA 3.31Å; A280-G285 WeakPolarHBondContact O-CA 3.16Å; A280-G285 PolarHBondContact O-N 2.89Å; V283-G285 PolarHBondContact O-N 3.3Å; G285-H287 VanDerWaalsContact C-N 3.25Å; G285-H287 PolarHBondContact O-N 2.98Å
286	L	88.6	Confident	89.1	Confident	91 Å²	91	61.6 Å²	61.6	48%	0.476	33%	0.333	S	S	.	.			trans	-89.7	21.2	178.4	-63.1	176.1	0	0	0	113.2	V283 C284	V283-L286 WeakPolarHBondContact O-CB 3.44Å; V283-L286 PolarHBondContact O-N 3.37Å; V283-L286 VanDerWaalsContact O-N 3.12Å; C284-L286 PolarHBondContact O-N 3.28Å
287	H	69.9	Low	88.5	Confident	97 Å²	97	58.6 Å²	58.6	45%	0.449	32%	0.319	S	S	.	.			trans	-80.2	135.9	179.3	-163.3	-33.1	0	0	0	110.3	A280 V283 G285 V289	A280-H287 HydrophobicContact CB-CB 3.76Å; V283-H287 HydrophobicContact CG2-CB 4.05Å; G285-H287 VanDerWaalsContact C-N 3.25Å; G285-H287 PolarHBondContact O-N 2.98Å; H287-V289 PolarHBondContact O-N 3.19Å; H287-V289 VanDerWaalsContact O-N 3.16Å
288	E	60.3	Low	87.7	Confident	181 Å²	181	63.4 Å²	63.4	85%	0.846	35%	0.345	S	S	*	.			trans	-65	110.2	164.3	-67	-175.1	170.6	0	0	108
289	V	52.9	Low	86.7	Confident	161 Å²	161	66.7 Å²	66.7	98%	0.976	36%	0.362	S	S	*	.			trans	-78.9	0	175.2	-172.9	0	0	0	0	109.7	I122 H287	I122-V289 HydrophobicContact CD1-CG2 3.85Å; H287-V289 PolarHBondContact O-N 3.19Å; H287-V289 VanDerWaalsContact O-N 3.16Å

Retrieved 289 of 289 residues in 1489.6 ms (Link to these results)

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