A0A096N569_PAPAN Loading...

RING finger and CHY zinc finger domain-containing protein 1

E3 ubiquitin-protein ligase that mediates ubiquitination of target proteins, including p53/TP53, TP73, HDAC1 and CDKN1B. Mediates ubiquitination and degradation of p53/TP53; preferentially acts on tetrameric p53/TP53. Catalyzes monoubiquitinates the translesion DNA polymerase POLH. Involved in the ribosome-associated quality control (RQC) pathway, which mediates the extraction of incompletely synthesized nascent chains from stalled ribosomes: RCHY1 acts downstream of NEMF and recognizes CAT tails associated with stalled nascent chains, leading to their ubiquitination and degradation.

AlphaFold DB (Q96PM5), UniProt , Accession A0A096N569, Species PAPAN (Papio anubis, Olive baboon), Gene RCHY1, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.4	Very low	36.5	Very low	248 Å²	248	141.9 Å²	141.9	100%	1.222	87%	0.87	S	S	*	*				0	92.9	0	-68.6	-78.3	-117.6	0	0	107
2	A	31.6	Very low	36.3	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	86%	0.862	S	S	*	*			trans	-85.9	148.2	178	0	0	0	0	0	109.9
3	A	36.4	Very low	37.4	Very low	106 Å²	106	132 Å²	132	88%	0.876	83%	0.825	S	S	*	*			trans	-148.8	108.4	155.2	0	0	0	0	0	108
4	T	33.2	Very low	38.1	Very low	129 Å²	129	133.5 Å²	133.5	79%	0.791	82%	0.817	S	S	*	*			trans	-86.9	150.2	-177.7	39.8	0	0	0	0	112.5
5	A	34.7	Very low	39.1	Very low	96 Å²	96	140.5 Å²	140.5	79%	0.793	82%	0.822	S	S	*	*			trans	40.3	129.7	139.2	0	0	0	0	0	121.3
6	R	34.2	Very low	40.5	Very low	244 Å²	244	135 Å²	135	92%	0.921	81%	0.805	S	S	*	*			trans	-106	119.4	156.6	-79.2	179.3	155.1	-176.8	-7.5	108.5
7	E	34	Very low	42.9	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	79%	0.79	S	S	*	*			trans	-123.8	116.3	161.6	-71.6	-175.4	154.5	0	0	107.2
8	D	38.6	Very low	45.7	Very low	169 Å²	169	132.9 Å²	132.9	90%	0.904	77%	0.77	S	S	*	*			trans	-143.4	136.4	163.9	-73.1	-48	0	0	0	104.3
9	G	31.4	Very low	48.2	Very low	79 Å²	79	126.2 Å²	126.2	81%	0.814	73%	0.732	S	S	*	*			cis	-166.5	145	4	0	0	0	0	0	108.5
10	A	38.1	Very low	50.6	Low	97 Å²	97	121.6 Å²	121.6	80%	0.802	71%	0.707	S	S	*	*			trans	-131.4	99.1	165.8	0	0	0	0	0	107.2
11	S	41.1	Very low	52.7	Low	111 Å²	111	124.1 Å²	124.1	78%	0.776	71%	0.712	S	S	*	*			trans	-65.9	124.6	166.7	58.1	0	0	0	0	107.8
12	G	34.4	Very low	54.8	Low	75 Å²	75	113.4 Å²	113.4	77%	0.773	66%	0.659	S	S	*	*				128.5	38.6	66.2	0	0	0	0	0	110.8
13	Q	50.4	Low	57.8	Low	80 Å²	80	110.3 Å²	110.3	37%	0.374	63%	0.626	S	S	.	*			trans	-100.2	124.3	166.4	-69.4	-164.8	-71.6	0	0	108.5	R15 T39	Q13-R15 PolarHBondContact O-N 3.33Å; Q13-R15 VanDerWaalsContact O-N 3.11Å; Q13-T39 PolarHBondContact NE2-OG1 2.48Å
14	E	47.2	Very low	60.7	Low	153 Å²	153	107.9 Å²	107.9	72%	0.715	60%	0.599	S	S	*	*			trans	-57.1	114.1	177.3	-67.2	-173.6	158.5	0	0	110	G16 Q17	E14-G16 PolarHBondContact O-N 3.11Å; E14-Q17 PolarHBondContact O-N 3.42Å
15	R	52.6	Low	63.7	Low	239 Å²	239	101.9 Å²	101.9	90%	0.902	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	128.1	178.8	-68.7	-179.5	179.1	-175.5	-0.2	109.4	Q13	Q13-R15 PolarHBondContact O-N 3.33Å; Q13-R15 VanDerWaalsContact O-N 3.11Å
16	G	61.5	Low	66.7	Low	52 Å²	52	97.3 Å²	97.3	54%	0.536	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-2.9	176.6	0	0	0	0	0	116	E14 R18	E14-G16 PolarHBondContact O-N 3.11Å; G16-R18 PolarHBondContact O-N 3.06Å
17	Q	81.9	Confident	69.7	Low	119 Å²	119	85.7 Å²	85.7	56%	0.556	48%	0.48	S	S	*	.			trans	-71.8	126.3	176.1	-167.9	173.9	28.5	0	0	111.4	E14 G19	E14-Q17 PolarHBondContact O-N 3.42Å; Q17-G19 PolarHBondContact O-N 2.97Å
18	R	92.9	Very high	72.8	Confident	114 Å²	114	79 Å²	79	43%	0.43	45%	0.449	S	S	.	.			trans	-75	116.1	172.8	-172.6	-179.1	-178.5	105.1	4.3	109.9	G16 D24 R25 I63 L81	G16-R18 PolarHBondContact O-N 3.06Å; R18-D24 WeakPolarHBondContact CD-OD1 3.19Å; R18-D24 IonicContact CZ-OD1 3.74Å; R18-D24 IonicContact NE-OD1 2.76Å; R18-D24 PolarHBondContact NE-OD1 3.37Å; R18-R25 WeakPolarHBondContact CG-O 3.34Å; R18-I63 VanDerWaalsContact CA-CD1 3.49Å; R18-I63 HydrophobicContact CB-CD1 3.77Å; R18-I63 HydrophobicContact CG-CD1 4.12Å; R18-L81 PolarHBondContact NH1-O 3.25Å; R18-L81 PolarHBondContact NH2-O 2.93Å
19	G	94	Very high	75.6	Confident	4 Å²	4	71.2 Å²	71.2	4%	0.041	41%	0.408	C	S	.	.			trans	70.4	-170.8	176	0	0	0	0	0	115	Q17 Y23 R25	Q17-G19 PolarHBondContact O-N 2.97Å; G19-Y23 CarbonylContact C-O 3.5Å; G19-Y23 WeakPolarHBondContact CA-O 3.43Å; G19-R25 PolarHBondContact N-O 2.66Å
20	C	95.7	Very high	78.8	Confident	35 Å²	35	69.8 Å²	69.8	24%	0.236	38%	0.379	C	S	.	.			trans	-146.2	-176.2	174.9	62.1	0	0	0	0	109	H22 Y23 T39 C40	C20-H22 PolarHBondContact O-N 3.08Å; C20-Y23 PolarHBondContact N-O 3.42Å; C20-Y23 PolarHBondContact O-N 2.82Å; C20-T39 HydrophobicContact CB-CG2 3.97Å; C20-C40 VanDerWaalsContact SG-SG 3.63Å
21	E	94.1	Very high	81.6	Confident	174 Å²	174	65.2 Å²	65.2	81%	0.813	34%	0.341	S	S	*	.	S	Bend	trans	-56.9	-22.3	175.7	66.6	-178.8	162.7	0	0	113.7
22	H	93.5	Very high	84.2	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.106	32%	0.323	C	S	.	.	S	Bend	trans	-84	-47.5	-178.8	-57.4	121.1	0	0	0	113.4	C20 L42 R156	C20-H22 PolarHBondContact O-N 3.08Å; H22-L42 HydrophobicContact CB-CD1 3.67Å; H22-L42 VanDerWaalsContact CG-CD1 3.48Å; H22-R156 PolarHBondContact CD2-NH1 3Å; H22-R156 PolarHBondContact NE2-NH1 3.37Å
23	Y	94.9	Very high	87.2	Confident	35 Å²	35	62.3 Å²	62.3	14%	0.137	31%	0.307	C	S	.	.			trans	-148.4	139	-169	-57.1	-62	0	0	0	110.7	G19 C20 C40 L42 L92 D94	G19-Y23 CarbonylContact C-O 3.5Å; G19-Y23 WeakPolarHBondContact CA-O 3.43Å; C20-Y23 PolarHBondContact N-O 3.42Å; C20-Y23 PolarHBondContact O-N 2.82Å; Y23-C40 HydrophobicContact CD2-CB 3.54Å; Y23-C40 HydrophobicContact CE2-CB 4.12Å; Y23-L42 HydrophobicContact CD2-CD1 4.48Å; Y23-L42 HydrophobicContact CE2-CD1 3.59Å; Y23-L42 HydrophobicContact CE2-CG 4.34Å; Y23-L92 HydrophobicContact CD1-CD1 3.7Å; Y23-L92 HydrophobicContact CD2-CD1 4.27Å; Y23-L92 HydrophobicContact CE1-CD1 3.55Å; Y23-L92 HydrophobicContact CE2-CD1 4.13Å; Y23-L92 HydrophobicContact CG-CD1 4.07Å; Y23-D94 WeakPolarHBondContact CA-OD1 3.38Å; Y23-D94 HydrophobicContact CD1-CB 4.21Å; Y23-D94 WeakPolarHBondContact CD1-OD2 3.27Å
24	D	96.1	Very high	89.4	Confident	55 Å²	55	60.2 Å²	60.2	29%	0.294	30%	0.301	S	S	.	.			trans	-88.9	104.8	172.8	-178.5	-15.7	0	0	0	109.3	R18 D94 K95	R18-D24 WeakPolarHBondContact CD-OD1 3.19Å; R18-D24 IonicContact CZ-OD1 3.74Å; R18-D24 IonicContact NE-OD1 2.76Å; R18-D24 PolarHBondContact NE-OD1 3.37Å; D24-D94 PolarHBondContact N-OD1 3.32Å; D24-D94 CarbonylContact O-C 3.51Å; D24-D94 WeakPolarHBondContact O-CA 3.29Å; D24-K95 HydrophobicContact CB-CB 4.03Å; D24-K95 HydrophobicContact CB-CD 4.19Å; D24-K95 HydrophobicContact CB-CG 4.1Å; D24-K95 PolarHBondContact O-N 3.44Å
25	R	96.9	Very high	91.7	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.011	30%	0.296	C	S	.	.			trans	-144.9	147	-177.6	68.7	-141.6	-51.7	-123.2	9	115.6	R18 G19 L29 T39 F82 H91 F93	R18-R25 WeakPolarHBondContact CG-O 3.34Å; G19-R25 PolarHBondContact N-O 2.66Å; R25-L29 VanDerWaalsContact NH1-CD2 3.33Å; R25-T39 WeakPolarHBondContact CD-O 3.4Å; R25-T39 HydrophobicContact CG-CG2 4.27Å; R25-T39 PolarHBondContact NH1-O 2.92Å; R25-F82 CarbonylContact C-O 3.53Å; R25-F82 WeakPolarHBondContact CA-O 3.27Å; R25-F82 VanDerWaalsContact CB-O 3.31Å; R25-F82 WeakPolarHBondContact CB-O 3.13Å; R25-H91 PolarHBondContact NH2-O 3.18Å; R25-F93 HydrophobicContact CB-CB 3.81Å; R25-F93 PolarHBondContact NE-O 3.44Å
26	G	97.5	Very high	93.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-91.6	15.1	-178.6	0	0	0	0	0	115.3	I63 F82	G26-I63 WeakPolarHBondContact O-CG1 3.46Å; G26-I63 PolarHBondContact O-N 3.39Å; G26-F82 VanDerWaalsContact C-CD1 3.49Å; G26-F82 PolarHBondContact N-O 3.47Å; G26-F82 WeakPolarHBondContact O-CD1 3.31Å; G26-F82 WeakPolarHBondContact O-CE1 3.25Å
27	C	97.8	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156	179.6	64	0	0	0	0	112.5	V60 Q61 F82 F93	C27-V60 HydrophobicContact CB-CB 4.06Å; C27-V60 HydrophobicContact CB-CG2 4.3Å; C27-Q61 CarbonylContact C-O 3.48Å; C27-Q61 WeakPolarHBondContact CA-O 3.4Å; C27-Q61 WeakPolarHBondContact CB-O 3.18Å; C27-F82 HydrophobicContact CB-CB 4.26Å; C27-F82 HydrophobicContact CB-CD1 3.72Å; C27-F82 HydrophobicContact CB-CD2 3.77Å; C27-F82 HydrophobicContact CB-CE1 3.9Å; C27-F82 HydrophobicContact CB-CE2 3.98Å; C27-F82 HydrophobicContact CB-CG 3.66Å; C27-F82 HydrophobicContact CB-CZ 4.03Å; C27-F93 WeakPolarHBondContact SG-CD2 3.4Å
28	L	98	Very high	96.3	Very high	41 Å²	41	47.2 Å²	47.2	22%	0.215	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.2	166.7	-52.9	179.1	0	0	0	108.9	L37 Y38 V60 Q61 I63	L28-L37 HydrophobicContact CB-CB 4.2Å; L28-L37 HydrophobicContact CB-CD2 4.21Å; L28-L37 HydrophobicContact CD1-CB 4.12Å; L28-Y38 CarbonylContact C-O 3.53Å; L28-Y38 WeakPolarHBondContact CA-O 3.32Å; L28-V60 CarbonylContact O-C 3.58Å; L28-V60 WeakPolarHBondContact O-CA 3.16Å; L28-V60 WeakPolarHBondContact O-CB 3.46Å; L28-Q61 PolarHBondContact N-O 3.25Å; L28-Q61 PolarHBondContact O-N 2.87Å; L28-I63 HydrophobicContact CD2-CG2 4.23Å; L28-I63 HydrophobicContact CG-CG2 4.17Å
29	L	97.8	Very high	96.5	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.1	170.8	-54.9	-175.3	0	0	0	109.5	R25 L37 Y38 V57 V60 F93	R25-L29 VanDerWaalsContact NH1-CD2 3.33Å; L29-L37 WeakPolarHBondContact O-CA 2.94Å; L29-Y38 PolarHBondContact N-O 3.01Å; L29-Y38 PolarHBondContact O-N 2.75Å; L29-V57 HydrophobicContact CB-CG1 4.33Å; L29-V57 HydrophobicContact CD2-CG1 4.22Å; L29-V60 HydrophobicContact CD2-CG1 3.85Å; L29-F93 HydrophobicContact CD2-CD2 4.21Å; L29-F93 HydrophobicContact CD2-CE2 4.03Å
30	K	97.8	Very high	96.6	Very high	50 Å²	50	42 Å²	42	22%	0.217	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.3	165.5	-170.8	178.6	171.2	-167.4	0	108.9	P32 L37 E59	K30-P32 WeakPolarHBondContact O-CD 3.43Å; K30-L37 HydrophobicContact CB-CD2 3.93Å; K30-L37 HydrophobicContact CG-CD2 4.38Å; K30-E59 HydrophobicContact CB-CB 4.11Å; K30-E59 WeakPolarHBondContact CB-O 3.19Å; K30-E59 HydrophobicContact CD-CB 4.08Å; K30-E59 WeakPolarHBondContact CD-OE2 3.39Å; K30-E59 PolarHBondContact N-O 3.26Å; K30-E59 IonicContact NZ-OE2 3.31Å; K30-E59 PolarHBondContact NZ-OE2 3.06Å
31	A	97.6	Very high	96.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.			trans	-76.1	115.9	-175.3	0	0	0	0	0	110.5	C33 C34 D35 K36 L52	A31-C33 PolarHBondContact O-N 3.29Å; A31-C33 VanDerWaalsContact O-N 3.16Å; A31-C34 PolarHBondContact O-N 2.94Å; A31-D35 VanDerWaalsContact O-CA 3.29Å; A31-D35 WeakPolarHBondContact O-CA 3.49Å; A31-D35 PolarHBondContact O-N 2.97Å; A31-K36 WeakPolarHBondContact CB-O 3.34Å; A31-K36 PolarHBondContact N-O 2.87Å; A31-L52 HydrophobicContact CB-CD1 3.65Å; A31-L52 HydrophobicContact CB-CG 4.47Å
32	P	96.6	Very high	96.5	Very high	62 Å²	62	34.4 Å²	34.4	40%	0.403	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.3	-176.8	29.3	-36.9	0	0	0	113.8	K30 K56	K30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-K56 HydrophobicContact CB-CB 4.43Å; P32-K56 HydrophobicContact CG-CB 3.71Å
33	C	96.6	Very high	96.7	Very high	64 Å²	64	33.8 Å²	33.8	43%	0.432	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-27	178.4	44.6	0	0	0	0	113.5	A31 H44 H50	A31-C33 PolarHBondContact O-N 3.29Å; A31-C33 VanDerWaalsContact O-N 3.16Å; C33-H44 PolarHBondContact SG-NE2 3.35Å; C33-H50 PolarHBondContact SG-NE2 2.9Å
34	C	96.5	Very high	96.8	Very high	36 Å²	36	32.1 Å²	32.1	24%	0.243	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.1	1.4	-171.6	61.1	0	0	0	0	114.4	A31 K36	A31-C34 PolarHBondContact O-N 2.94Å; C34-K36 HydrophobicContact CB-CD 4.38Å; C34-K36 HydrophobicContact CB-CG 4.46Å; C34-K36 PolarHBondContact O-N 2.84Å
35	D	95.5	Very high	96.7	Very high	116 Å²	116	31.1 Å²	31.1	62%	0.62	17%	0.166	S	C	*	.	S	Bend	trans	58.4	11.5	-177.4	-71.4	-56.9	0	0	0	115.7	A31	A31-D35 VanDerWaalsContact O-CA 3.29Å; A31-D35 WeakPolarHBondContact O-CA 3.49Å; A31-D35 PolarHBondContact O-N 2.97Å
36	K	97.4	Very high	96.7	Very high	89 Å²	89	35.9 Å²	35.9	39%	0.387	19%	0.191	S	C	.	.			trans	-83.7	161.4	175.3	-63.2	170.6	-177.4	175.9	0	111.6	A31 C34 Y38 E48	A31-K36 WeakPolarHBondContact CB-O 3.34Å; A31-K36 PolarHBondContact N-O 2.87Å; C34-K36 HydrophobicContact CB-CD 4.38Å; C34-K36 HydrophobicContact CB-CG 4.46Å; C34-K36 PolarHBondContact O-N 2.84Å; K36-Y38 HydrophobicContact CB-CD2 4.27Å; K36-Y38 HydrophobicContact CB-CE2 3.72Å; K36-Y38 HydrophobicContact CD-CE2 4.27Å; K36-E48 WeakPolarHBondContact CD-OE1 3.21Å; K36-E48 WeakPolarHBondContact CE-OE1 3.42Å; K36-E48 IonicContact NZ-OE1 2.66Å; K36-E48 PolarHBondContact NZ-OE1 3.15Å; K36-E48 IonicContact NZ-OE2 2.93Å; K36-E48 PolarHBondContact NZ-OE2 2.7Å
37	L	97.6	Very high	96.6	Very high	60 Å²	60	40 Å²	40	31%	0.314	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.3	-178.7	-69.4	155.8	0	0	0	110.8	L28 L29 K30 Q61	L28-L37 HydrophobicContact CB-CB 4.2Å; L28-L37 HydrophobicContact CB-CD2 4.21Å; L28-L37 HydrophobicContact CD1-CB 4.12Å; L29-L37 WeakPolarHBondContact O-CA 2.94Å; K30-L37 HydrophobicContact CB-CD2 3.93Å; K30-L37 HydrophobicContact CG-CD2 4.38Å; L37-Q61 HydrophobicContact CD2-CB 3.96Å
38	Y	97.5	Very high	96.6	Very high	25 Å²	25	41.6 Å²	41.6	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.3	-179.1	-76	-76	0	0	0	111	L28 L29 K36 C40 C43 H44 N47 E48	L28-Y38 CarbonylContact C-O 3.53Å; L28-Y38 WeakPolarHBondContact CA-O 3.32Å; L29-Y38 PolarHBondContact N-O 3.01Å; L29-Y38 PolarHBondContact O-N 2.75Å; K36-Y38 HydrophobicContact CB-CD2 4.27Å; K36-Y38 HydrophobicContact CB-CE2 3.72Å; K36-Y38 HydrophobicContact CD-CE2 4.27Å; Y38-C40 PolarHBondContact O-N 2.95Å; Y38-C43 HydrophobicContact CD1-CB 4.45Å; Y38-H44 HydrophobicContact CD1-CB 4.3Å; Y38-H44 HydrophobicContact CD2-CB 3.63Å; Y38-H44 AromaticContact CD2-CD2 3.49Å; Y38-H44 VanDerWaalsContact CD2-CD2 3.49Å; Y38-H44 WeakPolarHBondContact CD2-CD2 3.49Å; Y38-H44 AromaticContact CD2-CG 3.93Å; Y38-H44 HydrophobicContact CE2-CB 4.15Å; Y38-H44 AromaticContact CE2-CD2 3.53Å; Y38-H44 HydrophobicContact CG-CB 3.69Å; Y38-N47 HydrophobicContact CE1-CB 3.78Å; Y38-E48 HydrophobicContact CE2-CG 4.06Å; Y38-E48 PolarHBondContact OH-OE1 3.44Å
39	T	96.7	Very high	96.5	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	25%	0.25	C	S	.	.	S	Bend	trans	-53.5	-44	176.9	-46.9	0	0	0	0	111.5	Q13 C20 R25	Q13-T39 PolarHBondContact NE2-OG1 2.48Å; C20-T39 HydrophobicContact CB-CG2 3.97Å; R25-T39 WeakPolarHBondContact CD-O 3.4Å; R25-T39 HydrophobicContact CG-CG2 4.27Å; R25-T39 PolarHBondContact NH1-O 2.92Å
40	C	96.3	Very high	96.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-151.9	171.8	175.1	76.5	0	0	0	0	112	C20 Y23 Y38 L42 C43 H44	C20-C40 VanDerWaalsContact SG-SG 3.63Å; Y23-C40 HydrophobicContact CD2-CB 3.54Å; Y23-C40 HydrophobicContact CE2-CB 4.12Å; Y38-C40 PolarHBondContact O-N 2.95Å; C40-L42 PolarHBondContact O-N 2.84Å; C40-L42 PolarHBondContact SG-N 3.04Å; C40-C43 WeakPolarHBondContact O-CB 3.29Å; C40-C43 PolarHBondContact O-N 2.76Å; C40-C43 VanDerWaalsContact O-N 3.14Å; C40-C43 PolarHBondContact SG-N 3.16Å; C40-C43 VanDerWaalsContact SG-N 3.44Å; C40-H44 PolarHBondContact O-N 2.91Å
41	R	95	Very high	96.2	Very high	39 Å²	39	55.1 Å²	55.1	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-55.5	-34.4	178.2	76.2	-179.8	-172.8	92.6	-1.7	113.5	H44 D45 L52	R41-H44 WeakPolarHBondContact O-CB 3.37Å; R41-H44 PolarHBondContact O-N 3.32Å; R41-D45 PolarHBondContact O-N 2.82Å; R41-D45 VanDerWaalsContact O-OD1 3.09Å; R41-L52 HydrophobicContact CB-CB 4.31Å; R41-L52 HydrophobicContact CB-CD2 3.81Å; R41-L52 HydrophobicContact CB-CG 4.47Å
42	L	93.8	Very high	96	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-76.9	-34.8	-177.2	-55.8	161	0	0	0	110.9	H22 Y23 C40 H44 D45 N46 R156	H22-L42 HydrophobicContact CB-CD1 3.67Å; H22-L42 VanDerWaalsContact CG-CD1 3.48Å; Y23-L42 HydrophobicContact CD2-CD1 4.48Å; Y23-L42 HydrophobicContact CE2-CD1 3.59Å; Y23-L42 HydrophobicContact CE2-CG 4.34Å; C40-L42 PolarHBondContact O-N 2.84Å; C40-L42 PolarHBondContact SG-N 3.04Å; L42-H44 VanDerWaalsContact C-N 3.3Å; L42-D45 PolarHBondContact O-N 3.34Å; L42-N46 VanDerWaalsContact O-CB 3.31Å; L42-N46 WeakPolarHBondContact O-CB 3.46Å; L42-N46 PolarHBondContact O-N 2.85Å; L42-N46 PolarHBondContact O-ND2 3.36Å; L42-N46 PolarHBondContact O-OD1 3.11Å; L42-R156 VanDerWaalsContact CD1-CD 3.42Å
43	C	96.7	Very high	95.9	Very high	10 Å²	10	55.3 Å²	55.3	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-39.3	170.1	-65.3	0	0	0	0	110.6	Y38 C40 N47	Y38-C43 HydrophobicContact CD1-CB 4.45Å; C40-C43 WeakPolarHBondContact O-CB 3.29Å; C40-C43 PolarHBondContact O-N 2.76Å; C40-C43 VanDerWaalsContact O-N 3.14Å; C40-C43 PolarHBondContact SG-N 3.16Å; C40-C43 VanDerWaalsContact SG-N 3.44Å; C43-N47 PolarHBondContact O-N 3.48Å; C43-N47 PolarHBondContact O-ND2 2.76Å
44	H	97.3	Very high	95.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-57.3	171.1	170.2	-74.5	0	0	0	111.1	C33 Y38 C40 R41 L42 N46 N47 E48 H50 L52	C33-H44 PolarHBondContact SG-NE2 3.35Å; Y38-H44 HydrophobicContact CD1-CB 4.3Å; Y38-H44 HydrophobicContact CD2-CB 3.63Å; Y38-H44 AromaticContact CD2-CD2 3.49Å; Y38-H44 VanDerWaalsContact CD2-CD2 3.49Å; Y38-H44 WeakPolarHBondContact CD2-CD2 3.49Å; Y38-H44 AromaticContact CD2-CG 3.93Å; Y38-H44 HydrophobicContact CE2-CB 4.15Å; Y38-H44 AromaticContact CE2-CD2 3.53Å; Y38-H44 HydrophobicContact CG-CB 3.69Å; C40-H44 PolarHBondContact O-N 2.91Å; R41-H44 WeakPolarHBondContact O-CB 3.37Å; R41-H44 PolarHBondContact O-N 3.32Å; L42-H44 VanDerWaalsContact C-N 3.3Å; H44-N46 PolarHBondContact O-N 2.88Å; H44-N46 VanDerWaalsContact O-N 3.11Å; H44-N47 CarbonylContact O-C 3.6Å; H44-N47 PolarHBondContact O-N 3.21Å; H44-E48 WeakPolarHBondContact O-CB 3.37Å; H44-E48 PolarHBondContact O-N 2.76Å; H44-H50 AromaticContact CE1-CD2 3.55Å; H44-H50 AromaticContact CE1-NE2 3.52Å; H44-H50 PolarHBondContact CE1-O 3.32Å; H44-H50 VanDerWaalsContact CE1-O 3.25Å; H44-H50 AromaticContact NE2-CD2 3.89Å; H44-H50 AromaticContact NE2-NE2 3.39Å; H44-H50 PolarHBondContact NE2-NE2 2.9Å; H44-L52 HydrophobicContact CB-CB 4.18Å; H44-L52 HydrophobicContact CB-CD1 3.94Å; H44-L52 WeakPolarHBondContact ND1-CB 3.47Å
45	D	94.9	Very high	95.7	Very high	35 Å²	35	57 Å²	57	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-25.9	-175.1	-58.7	-10.3	0	0	0	112.8	R41 L42 Q51 L52	R41-D45 PolarHBondContact O-N 2.82Å; R41-D45 VanDerWaalsContact O-OD1 3.09Å; L42-D45 PolarHBondContact O-N 3.34Å; D45-Q51 VanDerWaalsContact OD1-CA 3.27Å; D45-Q51 WeakPolarHBondContact OD1-CA 3.11Å; D45-L52 PolarHBondContact OD1-N 2.88Å
46	N	95.2	Very high	95.8	Very high	103 Å²	103	57.7 Å²	57.7	55%	0.551	28%	0.278	S	S	*	.	H	α-helix	trans	-79.8	-19.1	175.2	-71.5	-5.4	0	0	0	113.7	L42 H44	L42-N46 VanDerWaalsContact O-CB 3.31Å; L42-N46 WeakPolarHBondContact O-CB 3.46Å; L42-N46 PolarHBondContact O-N 2.85Å; L42-N46 PolarHBondContact O-ND2 3.36Å; L42-N46 PolarHBondContact O-OD1 3.11Å; H44-N46 PolarHBondContact O-N 2.88Å; H44-N46 VanDerWaalsContact O-N 3.11Å
47	N	96.7	Very high	95.7	Very high	87 Å²	87	53.5 Å²	53.5	47%	0.465	26%	0.26	S	S	.	.	H	α-helix	trans	-113.3	-4.4	-176.4	-72.2	-81.3	0	0	0	113.3	Y38 C43 H44	Y38-N47 HydrophobicContact CE1-CB 3.78Å; C43-N47 PolarHBondContact O-N 3.48Å; C43-N47 PolarHBondContact O-ND2 2.76Å; H44-N47 CarbonylContact O-C 3.6Å; H44-N47 PolarHBondContact O-N 3.21Å
48	E	97.1	Very high	95.7	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.154	28%	0.276	C	S	.	.	S	Bend	trans	-124.5	160	179.6	-60	-67.7	168.6	0	0	110.4	K36 Y38 H44 H50	K36-E48 WeakPolarHBondContact CD-OE1 3.21Å; K36-E48 WeakPolarHBondContact CE-OE1 3.42Å; K36-E48 IonicContact NZ-OE1 2.66Å; K36-E48 PolarHBondContact NZ-OE1 3.15Å; K36-E48 IonicContact NZ-OE2 2.93Å; K36-E48 PolarHBondContact NZ-OE2 2.7Å; Y38-E48 HydrophobicContact CE2-CG 4.06Å; Y38-E48 PolarHBondContact OH-OE1 3.44Å; H44-E48 WeakPolarHBondContact O-CB 3.37Å; H44-E48 PolarHBondContact O-N 2.76Å; E48-H50 PolarHBondContact O-N 3.36Å; E48-H50 IonicContact OE2-CE1 2.64Å
49	D	95.9	Very high	95.7	Very high	156 Å²	156	60 Å²	60	83%	0.834	29%	0.288	S	S	*	.	S	Bend	trans	-85	6.2	176.8	62.8	-7.3	0	0	0	113.7
50	H	94.6	Very high	95.8	Very high	61 Å²	61	59.6 Å²	59.6	28%	0.282	29%	0.285	S	S	.	.	S	Bend	trans	-140.4	163.1	-178.1	59.9	-81	0	0	0	111.1	C33 H44 E48	C33-H50 PolarHBondContact SG-NE2 2.9Å; H44-H50 AromaticContact CE1-CD2 3.55Å; H44-H50 AromaticContact CE1-NE2 3.52Å; H44-H50 PolarHBondContact CE1-O 3.32Å; H44-H50 VanDerWaalsContact CE1-O 3.25Å; H44-H50 AromaticContact NE2-CD2 3.89Å; H44-H50 AromaticContact NE2-NE2 3.39Å; H44-H50 PolarHBondContact NE2-NE2 2.9Å; E48-H50 PolarHBondContact O-N 3.36Å; E48-H50 IonicContact OE2-CE1 2.64Å
51	Q	93.9	Very high	95.9	Very high	163 Å²	163	61.1 Å²	61.1	76%	0.762	29%	0.292	S	S	*	.			trans	-96.6	141.8	-177.2	-66.8	-175.8	-15.8	0	0	112.8	D45	D45-Q51 VanDerWaalsContact OD1-CA 3.27Å; D45-Q51 WeakPolarHBondContact OD1-CA 3.11Å
52	L	95.1	Very high	96	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.042	29%	0.286	C	S	.	.			trans	-81.7	120	173.7	-175	158.7	0	0	0	110.8	A31 R41 H44 D45 R54 V57	A31-L52 HydrophobicContact CB-CD1 3.65Å; A31-L52 HydrophobicContact CB-CG 4.47Å; R41-L52 HydrophobicContact CB-CB 4.31Å; R41-L52 HydrophobicContact CB-CD2 3.81Å; R41-L52 HydrophobicContact CB-CG 4.47Å; H44-L52 HydrophobicContact CB-CB 4.18Å; H44-L52 HydrophobicContact CB-CD1 3.94Å; H44-L52 WeakPolarHBondContact ND1-CB 3.47Å; D45-L52 PolarHBondContact OD1-N 2.88Å; L52-R54 PolarHBondContact O-N 2.99Å; L52-R54 VanDerWaalsContact O-N 3.12Å; L52-V57 HydrophobicContact CD2-CG2 3.58Å; L52-V57 HydrophobicContact CG-CG2 4.43Å
53	D	94.7	Very high	96.2	Very high	59 Å²	59	59.9 Å²	59.9	32%	0.316	29%	0.288	S	S	.	.			trans	-74.3	101.1	171.4	-174.8	-10.7	0	0	0	110.6	F55 K56	D53-F55 PolarHBondContact O-N 3.11Å; D53-F55 WeakPolarHBondContact OD1-CB 3.34Å; D53-F55 VanDerWaalsContact OD1-CD2 3.31Å; D53-F55 WeakPolarHBondContact OD1-CD2 3.42Å; D53-F55 PolarHBondContact OD1-N 3.34Å; D53-K56 HydrophobicContact CB-CB 4.29Å; D53-K56 HydrophobicContact CB-CD 4.03Å; D53-K56 HydrophobicContact CB-CG 4.19Å; D53-K56 PolarHBondContact O-N 3.03Å; D53-K56 VanDerWaalsContact OD2-CD 3.31Å; D53-K56 WeakPolarHBondContact OD2-CD 3.49Å; D53-K56 WeakPolarHBondContact OD2-CE 3.22Å; D53-K56 WeakPolarHBondContact OD2-CG 3.31Å; D53-K56 IonicContact OD2-NZ 3.07Å
54	R	93.7	Very high	96.2	Very high	38 Å²	38	64.4 Å²	64.4	14%	0.143	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.8	-177.1	78.5	-173.5	98	-168.4	4.8	113.4	L52 H91	L52-R54 PolarHBondContact O-N 2.99Å; L52-R54 VanDerWaalsContact O-N 3.12Å; R54-H91 PolarHBondContact O-ND1 2.99Å
55	F	94.7	Very high	96.1	Very high	96 Å²	96	66.2 Å²	66.2	42%	0.421	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.4	-176.9	-54.8	-71.1	0	0	0	112.4	D53 I89 G106 I107	D53-F55 PolarHBondContact O-N 3.11Å; D53-F55 WeakPolarHBondContact OD1-CB 3.34Å; D53-F55 VanDerWaalsContact OD1-CD2 3.31Å; D53-F55 WeakPolarHBondContact OD1-CD2 3.42Å; D53-F55 PolarHBondContact OD1-N 3.34Å; F55-I89 HydrophobicContact CD1-CG2 4.27Å; F55-I89 VanDerWaalsContact CD1-O 3.27Å; F55-I89 WeakPolarHBondContact CD1-O 3.15Å; F55-I89 HydrophobicContact CE1-CG2 4.23Å; F55-G106 VanDerWaalsContact CE1-O 3.31Å; F55-G106 WeakPolarHBondContact CE1-O 3.47Å; F55-G106 WeakPolarHBondContact CZ-O 3.41Å; F55-I107 HydrophobicContact CZ-CG2 4.08Å
56	K	96.5	Very high	96.2	Very high	132 Å²	132	70.6 Å²	70.6	57%	0.574	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.5	-178.9	-70.5	-178.6	-176.8	169.4	0	114	P32 D53 K58	P32-K56 HydrophobicContact CB-CB 4.43Å; P32-K56 HydrophobicContact CG-CB 3.71Å; D53-K56 HydrophobicContact CB-CB 4.29Å; D53-K56 HydrophobicContact CB-CD 4.03Å; D53-K56 HydrophobicContact CB-CG 4.19Å; D53-K56 PolarHBondContact O-N 3.03Å; D53-K56 VanDerWaalsContact OD2-CD 3.31Å; D53-K56 WeakPolarHBondContact OD2-CD 3.49Å; D53-K56 WeakPolarHBondContact OD2-CE 3.22Å; D53-K56 WeakPolarHBondContact OD2-CG 3.31Å; D53-K56 IonicContact OD2-NZ 3.07Å; K56-K58 PolarHBondContact O-N 3.45Å
57	V	96.8	Very high	96.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.33	C	S	.	.			trans	-61.4	128.8	176	178.7	0	0	0	0	108.5	L29 L52 H91	L29-V57 HydrophobicContact CB-CG1 4.33Å; L29-V57 HydrophobicContact CD2-CG1 4.22Å; L52-V57 HydrophobicContact CD2-CG2 3.58Å; L52-V57 HydrophobicContact CG-CG2 4.43Å; V57-H91 HydrophobicContact CB-CB 4.06Å; V57-H91 HydrophobicContact CG1-CB 4.26Å; V57-H91 PolarHBondContact O-CD2 3.16Å; V57-H91 PolarHBondContact O-CE1 3.14Å; V57-H91 PolarHBondContact O-ND1 2.96Å; V57-H91 PolarHBondContact O-NE2 2.97Å
58	K	96.7	Very high	96.4	Very high	147 Å²	147	68.6 Å²	68.6	64%	0.639	33%	0.329	S	S	*	.			trans	-124.4	-20.8	178.3	-69	-176.4	-179.7	-178.1	0	113.6	K56 H70 A71	K56-K58 PolarHBondContact O-N 3.45Å; K58-H70 WeakPolarHBondContact O-CA 3.49Å; K58-H70 PolarHBondContact O-ND1 3.19Å; K58-A71 PolarHBondContact O-N 2.77Å
59	E	98	Very high	96.5	Very high	76 Å²	76	67.4 Å²	67.4	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.4	-172.8	-63.8	-177.2	111.2	0	0	110.2	K30 I68 Q69	K30-E59 HydrophobicContact CB-CB 4.11Å; K30-E59 WeakPolarHBondContact CB-O 3.19Å; K30-E59 HydrophobicContact CD-CB 4.08Å; K30-E59 WeakPolarHBondContact CD-OE2 3.39Å; K30-E59 PolarHBondContact N-O 3.26Å; K30-E59 IonicContact NZ-OE2 3.31Å; K30-E59 PolarHBondContact NZ-OE2 3.06Å; E59-I68 HydrophobicContact CB-CG2 4.43Å; E59-Q69 CarbonylContact C-O 3.59Å; E59-Q69 VanDerWaalsContact CA-O 3.24Å; E59-Q69 WeakPolarHBondContact CA-O 3.47Å
60	V	98.1	Very high	96.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.7	175.8	-61.4	0	0	0	0	109.8	C27 L28 L29 I68 Q69 A71 F82 F93	C27-V60 HydrophobicContact CB-CB 4.06Å; C27-V60 HydrophobicContact CB-CG2 4.3Å; L28-V60 CarbonylContact O-C 3.58Å; L28-V60 WeakPolarHBondContact O-CA 3.16Å; L28-V60 WeakPolarHBondContact O-CB 3.46Å; L29-V60 HydrophobicContact CD2-CG1 3.85Å; V60-I68 WeakPolarHBondContact O-CA 3.31Å; V60-Q69 HydrophobicContact CG2-CG 4.06Å; V60-Q69 PolarHBondContact N-O 2.88Å; V60-Q69 PolarHBondContact O-N 2.91Å; V60-A71 HydrophobicContact CG1-CB 4.18Å; V60-F82 HydrophobicContact CG2-CD2 4.2Å; V60-F82 HydrophobicContact CG2-CE2 3.68Å; V60-F82 HydrophobicContact CG2-CZ 4.49Å; V60-F93 HydrophobicContact CG1-CE2 3.82Å; V60-F93 HydrophobicContact CG1-CZ 4.26Å
61	Q	98.3	Very high	96.7	Very high	32 Å²	32	62.3 Å²	62.3	15%	0.15	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.8	172	-174.1	176.4	-16.1	0	0	110	C27 L28 L37 E66 K67 I68	C27-Q61 CarbonylContact C-O 3.48Å; C27-Q61 WeakPolarHBondContact CA-O 3.4Å; C27-Q61 WeakPolarHBondContact CB-O 3.18Å; L28-Q61 PolarHBondContact N-O 3.25Å; L28-Q61 PolarHBondContact O-N 2.87Å; L37-Q61 HydrophobicContact CD2-CB 3.96Å; Q61-E66 WeakPolarHBondContact CG-O 3.46Å; Q61-E66 PolarHBondContact NE2-O 3.36Å; Q61-K67 WeakPolarHBondContact CA-O 3.36Å; Q61-I68 HydrophobicContact CB-CG1 4.11Å; Q61-I68 HydrophobicContact CG-CG1 4.06Å
62	C	98.2	Very high	96.9	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.5	173.5	-179.8	0	0	0	0	110.8	N64 E66 K67 C75 F82	C62-N64 VanDerWaalsContact C-N 3.28Å; C62-N64 PolarHBondContact O-N 3.27Å; C62-N64 PolarHBondContact SG-N 3.46Å; C62-E66 WeakPolarHBondContact O-CA 3.45Å; C62-E66 PolarHBondContact O-N 3.03Å; C62-K67 PolarHBondContact N-O 3.45Å; C62-C75 HydrophobicContact CB-CB 4.31Å; C62-F82 HydrophobicContact CB-CE1 3.83Å; C62-F82 HydrophobicContact CB-CZ 3.89Å
63	I	97	Very high	97	Very high	21 Å²	21	60.4 Å²	60.4	11%	0.108	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.3	176.7	69.1	179.9	0	0	0	113.6	R18 G26 L28	R18-I63 VanDerWaalsContact CA-CD1 3.49Å; R18-I63 HydrophobicContact CB-CD1 3.77Å; R18-I63 HydrophobicContact CG-CD1 4.12Å; G26-I63 WeakPolarHBondContact O-CG1 3.46Å; G26-I63 PolarHBondContact O-N 3.39Å; L28-I63 HydrophobicContact CD2-CG2 4.23Å; L28-I63 HydrophobicContact CG-CG2 4.17Å
64	N	96	Very high	97.2	Very high	104 Å²	104	60.1 Å²	60.1	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-41.4	-174	-73.2	-12.1	0	0	0	113.2	C62 T80	C62-N64 VanDerWaalsContact C-N 3.28Å; C62-N64 PolarHBondContact O-N 3.27Å; C62-N64 PolarHBondContact SG-N 3.46Å; N64-T80 VanDerWaalsContact ND2-CG2 3.29Å; N64-T80 WeakPolarHBondContact ND2-CG2 3.24Å; N64-T80 PolarHBondContact ND2-OG1 3.35Å
65	C	96.9	Very high	97.4	Very high	39 Å²	39	58.5 Å²	58.5	26%	0.264	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	3.3	-179.3	75	0	0	0	0	114	K67 C75 C78	C65-K67 PolarHBondContact O-N 3.02Å; C65-C75 PolarHBondContact SG-SG 3.44Å; C65-C78 HydrophobicContact CB-CB 4Å; C65-C78 VanDerWaalsContact SG-SG 3.61Å
66	E	97	Very high	97.5	Very high	127 Å²	127	59 Å²	59	59%	0.593	28%	0.284	S	S	*	.			trans	61.3	7.4	178.3	-57.7	-173	173.5	0	0	116	Q61 C62 I68	Q61-E66 WeakPolarHBondContact CG-O 3.46Å; Q61-E66 PolarHBondContact NE2-O 3.36Å; C62-E66 WeakPolarHBondContact O-CA 3.45Å; C62-E66 PolarHBondContact O-N 3.03Å; E66-I68 PolarHBondContact O-N 2.91Å
67	K	97.6	Very high	97.6	Very high	63 Å²	63	58.7 Å²	58.7	27%	0.274	29%	0.285	S	S	.	.			trans	-64.6	120.1	175.3	-175.1	176	-174.5	-171.9	0	111.8	Q61 C62 C65 Q69 E76 E77	Q61-K67 WeakPolarHBondContact CA-O 3.36Å; C62-K67 PolarHBondContact N-O 3.45Å; C65-K67 PolarHBondContact O-N 3.02Å; K67-Q69 HydrophobicContact CG-CB 4.5Å; K67-Q69 PolarHBondContact O-NE2 2.86Å; K67-Q69 VanDerWaalsContact O-NE2 3.15Å; K67-E76 HydrophobicContact CD-CB 4.36Å; K67-E76 WeakPolarHBondContact CE-OE2 3.39Å; K67-E76 IonicContact NZ-OE2 2.7Å; K67-E76 PolarHBondContact NZ-OE2 3.43Å; K67-E77 WeakPolarHBondContact CB-OE2 3.09Å; K67-E77 HydrophobicContact CD-CB 3.71Å
68	I	97.9	Very high	97.6	Very high	85 Å²	85	61.2 Å²	61.2	44%	0.436	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.6	163.7	-61.3	172.9	0	0	0	108.5	E59 V60 Q61 E66	E59-I68 HydrophobicContact CB-CG2 4.43Å; V60-I68 WeakPolarHBondContact O-CA 3.31Å; Q61-I68 HydrophobicContact CB-CG1 4.11Å; Q61-I68 HydrophobicContact CG-CG1 4.06Å; E66-I68 PolarHBondContact O-N 2.91Å
69	Q	98.3	Very high	97.7	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.037	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	172.9	-176	65.5	-156.1	-75.5	0	0	111	E59 V60 K67 C75	E59-Q69 CarbonylContact C-O 3.59Å; E59-Q69 VanDerWaalsContact CA-O 3.24Å; E59-Q69 WeakPolarHBondContact CA-O 3.47Å; V60-Q69 HydrophobicContact CG2-CG 4.06Å; V60-Q69 PolarHBondContact N-O 2.88Å; V60-Q69 PolarHBondContact O-N 2.91Å; K67-Q69 HydrophobicContact CG-CB 4.5Å; K67-Q69 PolarHBondContact O-NE2 2.86Å; K67-Q69 VanDerWaalsContact O-NE2 3.15Å; Q69-C75 PolarHBondContact NE2-SG 2.86Å; Q69-C75 VanDerWaalsContact OE1-CA 3.32Å
70	H	97.7	Very high	97.6	Very high	108 Å²	108	55.9 Å²	55.9	50%	0.5	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	148.6	172.8	-175.9	52.5	0	0	0	111.3	K58 Q72	K58-H70 WeakPolarHBondContact O-CA 3.49Å; K58-H70 PolarHBondContact O-ND1 3.19Å; H70-Q72 PolarHBondContact O-N 3.38Å; H70-Q72 VanDerWaalsContact O-N 3.13Å
71	A	97.5	Very high	97.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.008	31%	0.308	C	S	.	.	S	Bend	trans	-60.7	116.3	173.7	0	0	0	0	0	110.1	K58 V60 Y86 F93	K58-A71 PolarHBondContact O-N 2.77Å; V60-A71 HydrophobicContact CG1-CB 4.18Å; A71-Y86 PolarHBondContact O-OH 3.31Å; A71-Y86 VanDerWaalsContact O-OH 3.12Å; A71-F93 HydrophobicContact CB-CZ 4.36Å
72	Q	97.5	Very high	97.6	Very high	60 Å²	60	57.8 Å²	57.8	28%	0.28	30%	0.301	S	S	.	.			trans	-159.4	167.9	177.4	69.3	-165	-40.7	0	0	108.9	H70 T74 E76 F82 F93	H70-Q72 PolarHBondContact O-N 3.38Å; H70-Q72 VanDerWaalsContact O-N 3.13Å; Q72-T74 VanDerWaalsContact C-N 3.33Å; Q72-T74 VanDerWaalsContact CG-O 3.31Å; Q72-T74 WeakPolarHBondContact CG-O 3.31Å; Q72-T74 PolarHBondContact O-N 3.47Å; Q72-E76 VanDerWaalsContact NE2-CD 3.33Å; Q72-E76 PolarHBondContact NE2-OE1 3.11Å; Q72-F82 WeakPolarHBondContact O-CD2 3.41Å; Q72-F93 WeakPolarHBondContact O-CE1 3.31Å
73	Q	97.7	Very high	97.5	Very high	71 Å²	71	57.8 Å²	57.8	33%	0.332	30%	0.301	S	S	.	.	S	Bend	trans	-69.8	-24.3	-170	-171	167.5	20.7	0	0	115	L81 F82 G83 E84 Y86	Q73-L81 HydrophobicContact CG-CD1 3.74Å; Q73-F82 WeakPolarHBondContact O-CB 3.1Å; Q73-F82 PolarHBondContact O-N 3.12Å; Q73-G83 WeakPolarHBondContact CG-O 3.43Å; Q73-G83 PolarHBondContact NE2-O 3.03Å; Q73-E84 PolarHBondContact NE2-O 3.06Å; Q73-Y86 HydrophobicContact CB-CD1 3.87Å; Q73-Y86 HydrophobicContact CB-CG 4Å; Q73-Y86 HydrophobicContact CG-CG 4.46Å
74	T	98.2	Very high	97.5	Very high	54 Å²	54	62.5 Å²	62.5	33%	0.331	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-136.2	143	-171.1	-56.1	0	0	0	0	111.1	Q72 E76 S79 T80	Q72-T74 VanDerWaalsContact C-N 3.33Å; Q72-T74 VanDerWaalsContact CG-O 3.31Å; Q72-T74 WeakPolarHBondContact CG-O 3.31Å; Q72-T74 PolarHBondContact O-N 3.47Å; T74-E76 PolarHBondContact O-N 3.04Å; T74-S79 WeakPolarHBondContact CG2-O 3.42Å; T74-T80 WeakPolarHBondContact CA-O 3.41Å
75	C	98.3	Very high	97.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.02	30%	0.304	C	S	.	.			trans	-64.7	132.5	175.4	-172.8	0	0	0	0	112.2	C62 C65 Q69 E77 C78 S79 T80 F82	C62-C75 HydrophobicContact CB-CB 4.31Å; C65-C75 PolarHBondContact SG-SG 3.44Å; Q69-C75 PolarHBondContact NE2-SG 2.86Å; Q69-C75 VanDerWaalsContact OE1-CA 3.32Å; C75-E77 VanDerWaalsContact C-N 3.27Å; C75-E77 PolarHBondContact O-N 3.13Å; C75-C78 VanDerWaalsContact SG-SG 3.62Å; C75-S79 WeakPolarHBondContact O-CA 3.21Å; C75-S79 PolarHBondContact O-N 3.18Å; C75-S79 VanDerWaalsContact O-N 3.11Å; C75-T80 PolarHBondContact N-O 2.99Å; C75-F82 HydrophobicContact CB-CE1 3.7Å; C75-F82 HydrophobicContact CB-CZ 3.61Å
76	E	98.2	Very high	97.6	Very high	106 Å²	106	59.8 Å²	59.8	50%	0.495	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.8	176.7	-77.4	166.5	-163.1	0	0	115.4	K67 Q72 T74	K67-E76 HydrophobicContact CD-CB 4.36Å; K67-E76 WeakPolarHBondContact CE-OE2 3.39Å; K67-E76 IonicContact NZ-OE2 2.7Å; K67-E76 PolarHBondContact NZ-OE2 3.43Å; Q72-E76 VanDerWaalsContact NE2-CD 3.33Å; Q72-E76 PolarHBondContact NE2-OE1 3.11Å; T74-E76 PolarHBondContact O-N 3.04Å
77	E	97.6	Very high	97.6	Very high	127 Å²	127	54.1 Å²	54.1	59%	0.593	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-54.1	-173	179.8	172.1	-164	0	0	112.3	K67 C75	K67-E77 WeakPolarHBondContact CB-OE2 3.09Å; K67-E77 HydrophobicContact CD-CB 3.71Å; C75-E77 VanDerWaalsContact C-N 3.27Å; C75-E77 PolarHBondContact O-N 3.13Å
78	C	97.6	Very high	97.5	Very high	53 Å²	53	55.7 Å²	55.7	36%	0.358	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	3.9	-179.4	66.8	0	0	0	0	114.1	C65 C75 T80	C65-C78 HydrophobicContact CB-CB 4Å; C65-C78 VanDerWaalsContact SG-SG 3.61Å; C75-C78 VanDerWaalsContact SG-SG 3.62Å; C78-T80 PolarHBondContact O-N 2.91Å; C78-T80 PolarHBondContact SG-OG1 3.12Å
79	S	97.4	Very high	97.5	Very high	92 Å²	92	55.3 Å²	55.3	64%	0.643	28%	0.284	S	S	*	.			trans	56.1	20.1	-179.1	-53.1	0	0	0	0	115.2	T74 C75 L81	T74-S79 WeakPolarHBondContact CG2-O 3.42Å; C75-S79 WeakPolarHBondContact O-CA 3.21Å; C75-S79 PolarHBondContact O-N 3.18Å; C75-S79 VanDerWaalsContact O-N 3.11Å; S79-L81 PolarHBondContact O-N 2.78Å
80	T	97	Very high	97.4	Very high	19 Å²	19	55.3 Å²	55.3	12%	0.117	29%	0.285	C	S	.	.			trans	-64	125.6	175.9	-67.6	0	0	0	0	110.4	N64 T74 C75 C78 F82	N64-T80 VanDerWaalsContact ND2-CG2 3.29Å; N64-T80 WeakPolarHBondContact ND2-CG2 3.24Å; N64-T80 PolarHBondContact ND2-OG1 3.35Å; T74-T80 WeakPolarHBondContact CA-O 3.41Å; C75-T80 PolarHBondContact N-O 2.99Å; C78-T80 PolarHBondContact O-N 2.91Å; C78-T80 PolarHBondContact SG-OG1 3.12Å; T80-F82 HydrophobicContact CG2-CD1 4.32Å; T80-F82 PolarHBondContact O-N 3.34Å
81	L	97.6	Very high	97.3	Very high	71 Å²	71	51.2 Å²	51.2	37%	0.372	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-72.2	116.2	171.8	-174.3	69.4	0	0	0	110.2	R18 Q73 S79 E84	R18-L81 PolarHBondContact NH1-O 3.25Å; R18-L81 PolarHBondContact NH2-O 2.93Å; Q73-L81 HydrophobicContact CG-CD1 3.74Å; S79-L81 PolarHBondContact O-N 2.78Å; L81-E84 HydrophobicContact CD2-CG 4.29Å
82	F	97.9	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-75.4	-24.4	-179.1	-63.6	-23.8	0	0	0	113.3	R25 G26 C27 V60 C62 Q72 Q73 C75 T80 F93	R25-F82 CarbonylContact C-O 3.53Å; R25-F82 WeakPolarHBondContact CA-O 3.27Å; R25-F82 VanDerWaalsContact CB-O 3.31Å; R25-F82 WeakPolarHBondContact CB-O 3.13Å; G26-F82 VanDerWaalsContact C-CD1 3.49Å; G26-F82 PolarHBondContact N-O 3.47Å; G26-F82 WeakPolarHBondContact O-CD1 3.31Å; G26-F82 WeakPolarHBondContact O-CE1 3.25Å; C27-F82 HydrophobicContact CB-CB 4.26Å; C27-F82 HydrophobicContact CB-CD1 3.72Å; C27-F82 HydrophobicContact CB-CD2 3.77Å; C27-F82 HydrophobicContact CB-CE1 3.9Å; C27-F82 HydrophobicContact CB-CE2 3.98Å; C27-F82 HydrophobicContact CB-CG 3.66Å; C27-F82 HydrophobicContact CB-CZ 4.03Å; V60-F82 HydrophobicContact CG2-CD2 4.2Å; V60-F82 HydrophobicContact CG2-CE2 3.68Å; V60-F82 HydrophobicContact CG2-CZ 4.49Å; C62-F82 HydrophobicContact CB-CE1 3.83Å; C62-F82 HydrophobicContact CB-CZ 3.89Å; Q72-F82 WeakPolarHBondContact O-CD2 3.41Å; Q73-F82 WeakPolarHBondContact O-CB 3.1Å; Q73-F82 PolarHBondContact O-N 3.12Å; C75-F82 HydrophobicContact CB-CE1 3.7Å; C75-F82 HydrophobicContact CB-CZ 3.61Å; T80-F82 HydrophobicContact CG2-CD1 4.32Å; T80-F82 PolarHBondContact O-N 3.34Å; F82-F93 HydrophobicContact CB-CB 4.47Å; F82-F93 HydrophobicContact CB-CD1 3.88Å; F82-F93 HydrophobicContact CB-CE1 4.36Å; F82-F93 HydrophobicContact CB-CG 4.19Å; F82-F93 HydrophobicContact CD2-CE1 4.43Å
83	G	97	Very high	97.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.01	26%	0.258	C	S	.	.			trans	-171.9	144.1	173.1	0	0	0	0	0	110	Q73 Y85 D94	Q73-G83 WeakPolarHBondContact CG-O 3.43Å; Q73-G83 PolarHBondContact NE2-O 3.03Å; G83-Y85 PolarHBondContact O-N 3.36Å; G83-D94 CarbonylContact C-O 3.57Å; G83-D94 WeakPolarHBondContact CA-O 3.24Å
84	E	97	Very high	97.2	Very high	121 Å²	121	46.1 Å²	46.1	57%	0.565	24%	0.243	S	C	*	.	S	Bend	trans	-61.4	-36.2	173.7	-67.1	172.9	-173.6	0	0	110.7	Q73 L81 D94 D96	Q73-E84 PolarHBondContact NE2-O 3.06Å; L81-E84 HydrophobicContact CD2-CG 4.29Å; E84-D94 PolarHBondContact N-O 3.3Å; E84-D96 HydrophobicContact CB-CB 4.18Å; E84-D96 VanDerWaalsContact OE2-CB 3.25Å; E84-D96 WeakPolarHBondContact OE2-CB 3.45Å; E84-D96 PolarHBondContact OE2-N 3.32Å
85	Y	97.2	Very high	97.1	Very high	40 Å²	40	48.3 Å²	48.3	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.9	167.5	-179.2	-94.7	0	0	0	110.6	G83 C87 L92 F93 D94 Q99 H101	G83-Y85 PolarHBondContact O-N 3.36Å; Y85-C87 HydrophobicContact CE1-CB 3.67Å; Y85-L92 HydrophobicContact CD1-CD2 4.48Å; Y85-L92 HydrophobicContact CE1-CD2 4.23Å; Y85-F93 WeakPolarHBondContact O-CA 3.49Å; Y85-D94 PolarHBondContact N-O 2.88Å; Y85-D94 PolarHBondContact O-N 3.45Å; Y85-D94 VanDerWaalsContact O-N 3.16Å; Y85-Q99 HydrophobicContact CD1-CG 3.39Å; Y85-Q99 HydrophobicContact CD2-CG 3.67Å; Y85-Q99 HydrophobicContact CE1-CG 3.56Å; Y85-Q99 HydrophobicContact CE2-CG 3.85Å; Y85-Q99 WeakPolarHBondContact CE2-O 3.15Å; Y85-Q99 HydrophobicContact CG-CG 3.44Å; Y85-Q99 VanDerWaalsContact CG-CG 3.44Å; Y85-H101 PolarHBondContact OH-N 2.98Å
86	Y	97.7	Very high	97	Very high	46 Å²	46	52.6 Å²	52.6	18%	0.18	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.6	168.5	171.7	-127.6	0	0	0	110.1	A71 Q73 D88 L92 F93	A71-Y86 PolarHBondContact O-OH 3.31Å; A71-Y86 VanDerWaalsContact O-OH 3.12Å; Q73-Y86 HydrophobicContact CB-CD1 3.87Å; Q73-Y86 HydrophobicContact CB-CG 4Å; Q73-Y86 HydrophobicContact CG-CG 4.46Å; Y86-D88 HydrophobicContact CE1-CB 3.98Å; Y86-D88 WeakPolarHBondContact OH-CA 3.34Å; Y86-D88 PolarHBondContact OH-OD1 2.88Å; Y86-L92 WeakPolarHBondContact CA-O 3.48Å; Y86-F93 AromaticContact CD2-CD1 3.36Å; Y86-F93 HydrophobicContact CD2-CD1 3.36Å; Y86-F93 AromaticContact CD2-CE1 2.98Å; Y86-F93 HydrophobicContact CD2-CE1 2.98Å; Y86-F93 HydrophobicContact CD2-CG 4.3Å; Y86-F93 AromaticContact CD2-CZ 3.63Å; Y86-F93 HydrophobicContact CD2-CZ 3.63Å; Y86-F93 AromaticContact CE2-CD1 3.99Å; Y86-F93 HydrophobicContact CE2-CD1 3.99Å; Y86-F93 AromaticContact CE2-CE1 3.16Å; Y86-F93 HydrophobicContact CE2-CE1 3.16Å; Y86-F93 HydrophobicContact CE2-CE2 4.3Å; Y86-F93 AromaticContact CE2-CZ 3.31Å; Y86-F93 HydrophobicContact CE2-CZ 3.31Å; Y86-F93 HydrophobicContact CG-CD1 4.07Å; Y86-F93 AromaticContact CG-CE1 3.79Å; Y86-F93 HydrophobicContact CG-CE1 3.79Å
87	C	97.4	Very high	96.8	Very high	8 Å²	8	51 Å²	51	5%	0.054	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.4	166.6	178.7	0	0	0	0	109.7	Y85 C90 H91 L92 H101 C108	Y85-C87 HydrophobicContact CE1-CB 3.67Å; C87-C90 HydrophobicContact CB-CB 4.26Å; C87-C90 PolarHBondContact SG-N 3.4Å; C87-C90 VanDerWaalsContact SG-N 3.44Å; C87-H91 VanDerWaalsContact O-CA 3.23Å; C87-H91 WeakPolarHBondContact O-CA 3.23Å; C87-H91 PolarHBondContact O-N 2.98Å; C87-L92 HydrophobicContact CB-CB 4.38Å; C87-L92 PolarHBondContact N-O 2.86Å; C87-L92 PolarHBondContact O-N 3.24Å; C87-H101 PolarHBondContact SG-ND1 2.93Å; C87-C108 WeakPolarHBondContact CB-SG 3.42Å
88	D	95.6	Very high	96.7	Very high	96 Å²	96	51 Å²	51	51%	0.513	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-42.7	178.5	-164.9	66.7	0	0	0	112.2	Y86 C90 H91	Y86-D88 HydrophobicContact CE1-CB 3.98Å; Y86-D88 WeakPolarHBondContact OH-CA 3.34Å; Y86-D88 PolarHBondContact OH-OD1 2.88Å; D88-C90 PolarHBondContact O-N 2.81Å; D88-H91 PolarHBondContact O-CD2 3.41Å; D88-H91 PolarHBondContact O-CE1 2.68Å; D88-H91 VanDerWaalsContact O-CE1 3.32Å; D88-H91 PolarHBondContact O-N 3.02Å; D88-H91 PolarHBondContact O-NE2 3.23Å
89	I	96.3	Very high	96.6	Very high	77 Å²	77	49 Å²	49	40%	0.395	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-46.3	-179.9	-56.7	169.1	0	0	0	111.4	F55	F55-I89 HydrophobicContact CD1-CG2 4.27Å; F55-I89 VanDerWaalsContact CD1-O 3.27Å; F55-I89 WeakPolarHBondContact CD1-O 3.15Å; F55-I89 HydrophobicContact CE1-CG2 4.23Å
90	C	95.9	Very high	96.6	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.054	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.5	-176	-71.4	0	0	0	0	114.2	C87 D88 L92 H101	C87-C90 HydrophobicContact CB-CB 4.26Å; C87-C90 PolarHBondContact SG-N 3.4Å; C87-C90 VanDerWaalsContact SG-N 3.44Å; D88-C90 PolarHBondContact O-N 2.81Å; C90-L92 HydrophobicContact CB-CB 4.21Å; C90-L92 PolarHBondContact O-N 3.46Å; C90-H101 VanDerWaalsContact SG-CE1 3.54Å
91	H	96.4	Very high	96.6	Very high	22 Å²	22	46 Å²	46	10%	0.102	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	40.7	-167.5	-53.8	95.9	0	0	0	113	R25 R54 V57 C87 D88	R25-H91 PolarHBondContact NH2-O 3.18Å; R54-H91 PolarHBondContact O-ND1 2.99Å; V57-H91 HydrophobicContact CB-CB 4.06Å; V57-H91 HydrophobicContact CG1-CB 4.26Å; V57-H91 PolarHBondContact O-CD2 3.16Å; V57-H91 PolarHBondContact O-CE1 3.14Å; V57-H91 PolarHBondContact O-ND1 2.96Å; V57-H91 PolarHBondContact O-NE2 2.97Å; C87-H91 VanDerWaalsContact O-CA 3.23Å; C87-H91 WeakPolarHBondContact O-CA 3.23Å; C87-H91 PolarHBondContact O-N 2.98Å; D88-H91 PolarHBondContact O-CD2 3.41Å; D88-H91 PolarHBondContact O-CE1 2.68Å; D88-H91 VanDerWaalsContact O-CE1 3.32Å; D88-H91 PolarHBondContact O-N 3.02Å; D88-H91 PolarHBondContact O-NE2 3.23Å
92	L	96.2	Very high	96.5	Very high	22 Å²	22	42.9 Å²	42.9	12%	0.115	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.2	178.8	179	63	0	0	0	109.7	Y23 Y85 Y86 C87 C90 C108	Y23-L92 HydrophobicContact CD1-CD1 3.7Å; Y23-L92 HydrophobicContact CD2-CD1 4.27Å; Y23-L92 HydrophobicContact CE1-CD1 3.55Å; Y23-L92 HydrophobicContact CE2-CD1 4.13Å; Y23-L92 HydrophobicContact CG-CD1 4.07Å; Y85-L92 HydrophobicContact CD1-CD2 4.48Å; Y85-L92 HydrophobicContact CE1-CD2 4.23Å; Y86-L92 WeakPolarHBondContact CA-O 3.48Å; C87-L92 HydrophobicContact CB-CB 4.38Å; C87-L92 PolarHBondContact N-O 2.86Å; C87-L92 PolarHBondContact O-N 3.24Å; C90-L92 HydrophobicContact CB-CB 4.21Å; C90-L92 PolarHBondContact O-N 3.46Å; L92-C108 HydrophobicContact CD2-CB 3.69Å
93	F	97.6	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.6	173.1	-52.3	-80.8	0	0	0	105.7	R25 C27 L29 V60 A71 Q72 F82 Y85 Y86	R25-F93 HydrophobicContact CB-CB 3.81Å; R25-F93 PolarHBondContact NE-O 3.44Å; C27-F93 WeakPolarHBondContact SG-CD2 3.4Å; L29-F93 HydrophobicContact CD2-CD2 4.21Å; L29-F93 HydrophobicContact CD2-CE2 4.03Å; V60-F93 HydrophobicContact CG1-CE2 3.82Å; V60-F93 HydrophobicContact CG1-CZ 4.26Å; A71-F93 HydrophobicContact CB-CZ 4.36Å; Q72-F93 WeakPolarHBondContact O-CE1 3.31Å; F82-F93 HydrophobicContact CB-CB 4.47Å; F82-F93 HydrophobicContact CB-CD1 3.88Å; F82-F93 HydrophobicContact CB-CE1 4.36Å; F82-F93 HydrophobicContact CB-CG 4.19Å; F82-F93 HydrophobicContact CD2-CE1 4.43Å; Y85-F93 WeakPolarHBondContact O-CA 3.49Å; Y86-F93 AromaticContact CD2-CD1 3.36Å; Y86-F93 HydrophobicContact CD2-CD1 3.36Å; Y86-F93 AromaticContact CD2-CE1 2.98Å; Y86-F93 HydrophobicContact CD2-CE1 2.98Å; Y86-F93 HydrophobicContact CD2-CG 4.3Å; Y86-F93 AromaticContact CD2-CZ 3.63Å; Y86-F93 HydrophobicContact CD2-CZ 3.63Å; Y86-F93 AromaticContact CE2-CD1 3.99Å; Y86-F93 HydrophobicContact CE2-CD1 3.99Å; Y86-F93 AromaticContact CE2-CE1 3.16Å; Y86-F93 HydrophobicContact CE2-CE1 3.16Å; Y86-F93 HydrophobicContact CE2-CE2 4.3Å; Y86-F93 AromaticContact CE2-CZ 3.31Å; Y86-F93 HydrophobicContact CE2-CZ 3.31Å; Y86-F93 HydrophobicContact CG-CD1 4.07Å; Y86-F93 AromaticContact CG-CE1 3.79Å; Y86-F93 HydrophobicContact CG-CE1 3.79Å
94	D	97	Very high	96.3	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	168.6	179.9	-162.1	8.4	0	0	0	109.6	Y23 D24 G83 E84 Y85 K97	Y23-D94 WeakPolarHBondContact CA-OD1 3.38Å; Y23-D94 HydrophobicContact CD1-CB 4.21Å; Y23-D94 WeakPolarHBondContact CD1-OD2 3.27Å; D24-D94 PolarHBondContact N-OD1 3.32Å; D24-D94 CarbonylContact O-C 3.51Å; D24-D94 WeakPolarHBondContact O-CA 3.29Å; G83-D94 CarbonylContact C-O 3.57Å; G83-D94 WeakPolarHBondContact CA-O 3.24Å; E84-D94 PolarHBondContact N-O 3.3Å; Y85-D94 PolarHBondContact N-O 2.88Å; Y85-D94 PolarHBondContact O-N 3.45Å; Y85-D94 VanDerWaalsContact O-N 3.16Å; D94-K97 IonicContact OD1-NZ 2.91Å; D94-K97 PolarHBondContact OD1-NZ 2.8Å; D94-K97 VanDerWaalsContact OD2-CE 3.24Å; D94-K97 WeakPolarHBondContact OD2-CE 3.34Å; D94-K97 IonicContact OD2-NZ 3.92Å; D94-K97 PolarHBondContact OD2-NZ 3.23Å
95	K	95.7	Very high	96.1	Very high	99 Å²	99	48.5 Å²	48.5	43%	0.43	23%	0.233	S	C	.	.			trans	-65.5	161	164.8	64.5	-178.3	179.3	-177.4	0	111.3	D24 K97 Q99	D24-K95 HydrophobicContact CB-CB 4.03Å; D24-K95 HydrophobicContact CB-CD 4.19Å; D24-K95 HydrophobicContact CB-CG 4.1Å; D24-K95 PolarHBondContact O-N 3.44Å; K95-K97 VanDerWaalsContact CE-CE 3.5Å; K95-K97 HydrophobicContact CG-CG 4.2Å; K95-K97 PolarHBondContact O-N 2.68Å; K95-Q99 PolarHBondContact O-NE2 2.77Å
96	D	95.7	Very high	95.9	Very high	94 Å²	94	47.6 Å²	47.6	50%	0.503	24%	0.236	S	C	.	.			trans	-70	117.9	176.7	-172.6	24.2	0	0	0	111.2	E84 K98	E84-D96 HydrophobicContact CB-CB 4.18Å; E84-D96 VanDerWaalsContact OE2-CB 3.25Å; E84-D96 WeakPolarHBondContact OE2-CB 3.45Å; E84-D96 PolarHBondContact OE2-N 3.32Å; D96-K98 WeakPolarHBondContact OD1-CA 3.49Å; D96-K98 PolarHBondContact OD1-N 3.21Å
97	K	94.4	Very high	95.7	Very high	73 Å²	73	45.8 Å²	45.8	32%	0.317	23%	0.229	S	C	.	.	S	Bend	trans	-122.9	21.3	172.2	-55.5	169.8	-179.5	163.2	0	109.2	D94 K95 Q99 I110	D94-K97 IonicContact OD1-NZ 2.91Å; D94-K97 PolarHBondContact OD1-NZ 2.8Å; D94-K97 VanDerWaalsContact OD2-CE 3.24Å; D94-K97 WeakPolarHBondContact OD2-CE 3.34Å; D94-K97 IonicContact OD2-NZ 3.92Å; D94-K97 PolarHBondContact OD2-NZ 3.23Å; K95-K97 VanDerWaalsContact CE-CE 3.5Å; K95-K97 HydrophobicContact CG-CG 4.2Å; K95-K97 PolarHBondContact O-N 2.68Å; K97-Q99 PolarHBondContact O-N 3.05Å; K97-I110 HydrophobicContact CB-CD1 4.47Å; K97-I110 HydrophobicContact CD-CD1 4.27Å
98	K	96.1	Very high	95.6	Very high	126 Å²	126	46.6 Å²	46.6	55%	0.548	24%	0.235	S	C	.	.	S	Bend	trans	56.8	25.7	-171.6	-48.9	-170.5	-178.1	-177.6	0	113.5	D96 G111 P112	D96-K98 WeakPolarHBondContact OD1-CA 3.49Å; D96-K98 PolarHBondContact OD1-N 3.21Å; K98-G111 WeakPolarHBondContact O-CA 3.15Å; K98-G111 PolarHBondContact O-N 3.47Å; K98-P112 HydrophobicContact CB-CB 4Å; K98-P112 HydrophobicContact CD-CB 3.75Å; K98-P112 HydrophobicContact CD-CG 4.3Å
99	Q	95.8	Very high	95.5	Very high	12 Å²	12	44 Å²	44	6%	0.056	22%	0.218	C	C	.	.			trans	-65.4	153.1	178.3	64.1	-88.2	28.4	0	0	111.3	Y85 K95 K97 R109 I110	Y85-Q99 HydrophobicContact CD1-CG 3.39Å; Y85-Q99 HydrophobicContact CD2-CG 3.67Å; Y85-Q99 HydrophobicContact CE1-CG 3.56Å; Y85-Q99 HydrophobicContact CE2-CG 3.85Å; Y85-Q99 WeakPolarHBondContact CE2-O 3.15Å; Y85-Q99 HydrophobicContact CG-CG 3.44Å; Y85-Q99 VanDerWaalsContact CG-CG 3.44Å; K95-Q99 PolarHBondContact O-NE2 2.77Å; K97-Q99 PolarHBondContact O-N 3.05Å; Q99-R109 CarbonylContact C-O 3.57Å; Q99-R109 WeakPolarHBondContact CA-O 3.21Å; Q99-R109 WeakPolarHBondContact CB-O 3.18Å; Q99-I110 HydrophobicContact CB-CD1 4.17Å
100	Y	96.3	Very high	95.3	Very high	23 Å²	23	45.2 Å²	45.2	9%	0.09	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.5	180	68.3	-82.8	0	0	0	110.2	C102 C108 R109 K113 F116	Y100-C102 HydrophobicContact CE2-CB 3.99Å; Y100-C108 CarbonylContact O-C 3.53Å; Y100-C108 VanDerWaalsContact O-CA 3.3Å; Y100-C108 WeakPolarHBondContact O-CA 3.32Å; Y100-R109 HydrophobicContact CD1-CB 4.49Å; Y100-R109 HydrophobicContact CE1-CB 3.89Å; Y100-R109 HydrophobicContact CE2-CB 4.43Å; Y100-R109 PolarHBondContact N-O 3.4Å; Y100-R109 PolarHBondContact O-N 2.99Å; Y100-K113 HydrophobicContact CD1-CB 3.78Å; Y100-K113 HydrophobicContact CD1-CG 4.26Å; Y100-K113 HydrophobicContact CD2-CB 4.26Å; Y100-K113 HydrophobicContact CD2-CD 4.05Å; Y100-K113 HydrophobicContact CD2-CG 3.87Å; Y100-K113 HydrophobicContact CE1-CB 4.26Å; Y100-K113 HydrophobicContact CE2-CG 4.14Å; Y100-K113 HydrophobicContact CG-CB 3.79Å; Y100-K113 HydrophobicContact CG-CD 4.22Å; Y100-K113 HydrophobicContact CG-CG 3.93Å; Y100-F116 HydrophobicContact CE1-CD2 4.37Å; Y100-F116 VanDerWaalsContact OH-CB 3.32Å; Y100-F116 WeakPolarHBondContact OH-CB 3.38Å
101	H	96.8	Very high	95.1	Very high	23 Å²	23	45.6 Å²	45.6	11%	0.106	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.5	170.3	-169.5	91.6	0	0	0	109.1	Y85 C87 C90 E103 G106	Y85-H101 PolarHBondContact OH-N 2.98Å; C87-H101 PolarHBondContact SG-ND1 2.93Å; C90-H101 VanDerWaalsContact SG-CE1 3.54Å; H101-E103 IonicContact CD2-OE1 2.77Å; H101-E103 PolarHBondContact CD2-OE1 2.64Å; H101-E103 IonicContact CD2-OE2 3.68Å; H101-G106 PolarHBondContact CE1-O 3.18Å
102	C	96.1	Very high	95.1	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.4	170.8	179.6	0	0	0	0	109.5	Y100 N104 C105 G106 I107 R109 H118 C125	Y100-C102 HydrophobicContact CE2-CB 3.99Å; C102-N104 VanDerWaalsContact C-N 3.26Å; C102-N104 PolarHBondContact O-N 3.4Å; C102-C105 HydrophobicContact CB-CB 4.06Å; C102-C105 CarbonylContact O-C 3.5Å; C102-C105 PolarHBondContact O-N 3.27Å; C102-C105 VanDerWaalsContact SG-SG 3.66Å; C102-G106 PolarHBondContact O-N 3.37Å; C102-I107 PolarHBondContact N-O 3.43Å; C102-R109 HydrophobicContact CB-CG 4.29Å; C102-H118 PolarHBondContact SG-ND1 3.49Å; C102-H118 VanDerWaalsContact SG-ND1 3.43Å; C102-C125 PolarHBondContact SG-SG 3.07Å
103	E	95.8	Very high	95	Very high	137 Å²	137	50.8 Å²	50.8	64%	0.64	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-44.6	-179.9	-58.6	-53.9	139.4	0	0	112.9	H101 C105 G106	H101-E103 IonicContact CD2-OE1 2.77Å; H101-E103 PolarHBondContact CD2-OE1 2.64Å; H101-E103 IonicContact CD2-OE2 3.68Å; E103-C105 VanDerWaalsContact C-N 3.34Å; E103-C105 PolarHBondContact O-N 3.06Å; E103-G106 PolarHBondContact O-N 3.08Å
104	N	95	Very high	95	Very high	89 Å²	89	57 Å²	57	48%	0.476	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.6	-178.6	-62.1	-55	0	0	0	113.7	C102 H118 L120	C102-N104 VanDerWaalsContact C-N 3.26Å; C102-N104 PolarHBondContact O-N 3.4Å; N104-H118 VanDerWaalsContact CB-CD2 3.45Å; N104-H118 WeakPolarHBondContact CB-CD2 3.46Å; N104-H118 VanDerWaalsContact CB-CE1 3.46Å; N104-H118 WeakPolarHBondContact CB-CE1 3.36Å; N104-H118 VanDerWaalsContact CB-NE2 3.34Å; N104-H118 WeakPolarHBondContact CB-NE2 3.16Å; N104-L120 HydrophobicContact CB-CD2 4.47Å
105	C	93	Very high	94.9	Very high	13 Å²	13	61 Å²	61	9%	0.088	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-24.7	172.2	-63.5	0	0	0	0	112.2	C102 E103 I107 H118 C125	C102-C105 HydrophobicContact CB-CB 4.06Å; C102-C105 CarbonylContact O-C 3.5Å; C102-C105 PolarHBondContact O-N 3.27Å; C102-C105 VanDerWaalsContact SG-SG 3.66Å; E103-C105 VanDerWaalsContact C-N 3.34Å; E103-C105 PolarHBondContact O-N 3.06Å; C105-I107 VanDerWaalsContact C-N 3.26Å; C105-I107 HydrophobicContact CB-CG1 3.88Å; C105-I107 PolarHBondContact O-N 3.27Å; C105-H118 PolarHBondContact SG-CE1 3.21Å; C105-H118 PolarHBondContact SG-ND1 2.82Å; C105-C125 VanDerWaalsContact SG-SG 3.63Å
106	G	93.8	Very high	94.9	Very high	22 Å²	22	59.5 Å²	59.5	23%	0.227	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	18.1	-170.1	0	0	0	0	0	114.1	F55 H101 C102 E103	F55-G106 VanDerWaalsContact CE1-O 3.31Å; F55-G106 WeakPolarHBondContact CE1-O 3.47Å; F55-G106 WeakPolarHBondContact CZ-O 3.41Å; H101-G106 PolarHBondContact CE1-O 3.18Å; C102-G106 PolarHBondContact O-N 3.37Å; E103-G106 PolarHBondContact O-N 3.08Å
107	I	93.8	Very high	94.9	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.9	-179.9	62.1	176.7	0	0	0	113.2	F55 C102 C105 H153	F55-I107 HydrophobicContact CZ-CG2 4.08Å; C102-I107 PolarHBondContact N-O 3.43Å; C105-I107 VanDerWaalsContact C-N 3.26Å; C105-I107 HydrophobicContact CB-CG1 3.88Å; C105-I107 PolarHBondContact O-N 3.27Å; I107-H153 WeakPolarHBondContact CD1-O 3.3Å
108	C	95.3	Very high	95	Very high	25 Å²	25	54.7 Å²	54.7	17%	0.169	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.5	171	-61	0	0	0	0	111.9	C87 L92 Y100	C87-C108 WeakPolarHBondContact CB-SG 3.42Å; L92-C108 HydrophobicContact CD2-CB 3.69Å; Y100-C108 CarbonylContact O-C 3.53Å; Y100-C108 VanDerWaalsContact O-CA 3.3Å; Y100-C108 WeakPolarHBondContact O-CA 3.32Å
109	R	93	Very high	95	Very high	42 Å²	42	49.4 Å²	49.4	16%	0.158	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.2	173.7	-60.5	-63.5	-172.2	-177.5	-2.5	109.2	Q99 Y100 C102 C125 H153	Q99-R109 CarbonylContact C-O 3.57Å; Q99-R109 WeakPolarHBondContact CA-O 3.21Å; Q99-R109 WeakPolarHBondContact CB-O 3.18Å; Y100-R109 HydrophobicContact CD1-CB 4.49Å; Y100-R109 HydrophobicContact CE1-CB 3.89Å; Y100-R109 HydrophobicContact CE2-CB 4.43Å; Y100-R109 PolarHBondContact N-O 3.4Å; Y100-R109 PolarHBondContact O-N 2.99Å; C102-R109 HydrophobicContact CB-CG 4.29Å; R109-C125 HydrophobicContact CG-CB 4.44Å; R109-H153 PolarHBondContact NH1-O 2.83Å; R109-H153 PolarHBondContact NH2-O 3.11Å
110	I	92.1	Very high	95	Very high	103 Å²	103	54.3 Å²	54.3	53%	0.528	28%	0.277	S	S	.	.			trans	-74.3	133.1	169.8	-55.8	-55.7	0	0	0	108	K97 Q99	K97-I110 HydrophobicContact CB-CD1 4.47Å; K97-I110 HydrophobicContact CD-CD1 4.27Å; Q99-I110 HydrophobicContact CB-CD1 4.17Å
111	G	91.3	Very high	94.9	Very high	15 Å²	15	58.9 Å²	58.9	16%	0.155	30%	0.297	C	S	.	.	S	Bend	trans	-104.9	-152.2	-178.3	0	0	0	0	0	113.1	K98	K98-G111 WeakPolarHBondContact O-CA 3.15Å; K98-G111 PolarHBondContact O-N 3.47Å
112	P	95.8	Very high	94.7	Very high	22 Å²	22	57.9 Å²	57.9	14%	0.143	29%	0.292	C	S	.	.			cis	-72.3	152.6	14.6	31.8	-37.1	0	0	0	113.9	K98 E114 D115 F116	K98-P112 HydrophobicContact CB-CB 4Å; K98-P112 HydrophobicContact CD-CB 3.75Å; K98-P112 HydrophobicContact CD-CG 4.3Å; P112-E114 VanDerWaalsContact CB-CD 3.43Å; P112-E114 HydrophobicContact CB-CG 4.09Å; P112-E114 WeakPolarHBondContact CB-OE1 3.28Å; P112-E114 HydrophobicContact CG-CG 4.22Å; P112-E114 PolarHBondContact O-N 3.41Å; P112-D115 WeakPolarHBondContact CD-OD2 3.43Å; P112-D115 HydrophobicContact CG-CB 4.19Å; P112-D115 WeakPolarHBondContact CG-OD2 3.49Å; P112-D115 PolarHBondContact O-N 3.29Å; P112-F116 WeakPolarHBondContact O-CD2 3.37Å
113	K	95.6	Very high	94.6	Very high	132 Å²	132	59.6 Å²	59.6	57%	0.574	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-58.9	-34.9	-174	-177.9	176.1	177.4	177.9	0	112.4	Y100 D115 F116	Y100-K113 HydrophobicContact CD1-CB 3.78Å; Y100-K113 HydrophobicContact CD1-CG 4.26Å; Y100-K113 HydrophobicContact CD2-CB 4.26Å; Y100-K113 HydrophobicContact CD2-CD 4.05Å; Y100-K113 HydrophobicContact CD2-CG 3.87Å; Y100-K113 HydrophobicContact CE1-CB 4.26Å; Y100-K113 HydrophobicContact CE2-CG 4.14Å; Y100-K113 HydrophobicContact CG-CB 3.79Å; Y100-K113 HydrophobicContact CG-CD 4.22Å; Y100-K113 HydrophobicContact CG-CG 3.93Å; K113-D115 PolarHBondContact O-N 3.22Å; K113-F116 PolarHBondContact O-N 2.78Å; K113-F116 VanDerWaalsContact O-N 3.16Å
114	E	96.4	Very high	94.4	Very high	131 Å²	131	53.5 Å²	53.5	61%	0.612	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-62.5	-21.5	177.4	55.4	-92.1	-152.6	0	0	114.1	P112 F116 M128	P112-E114 VanDerWaalsContact CB-CD 3.43Å; P112-E114 HydrophobicContact CB-CG 4.09Å; P112-E114 WeakPolarHBondContact CB-OE1 3.28Å; P112-E114 HydrophobicContact CG-CG 4.22Å; P112-E114 PolarHBondContact O-N 3.41Å; E114-F116 VanDerWaalsContact C-N 3.31Å; E114-M128 WeakPolarHBondContact O-CG 3.45Å
115	D	96.1	Very high	94.4	Very high	85 Å²	85	50.1 Å²	50.1	46%	0.455	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-85.7	-2.1	177.4	-73.1	-16.5	0	0	0	112.9	P112 K113 A127 M128	P112-D115 WeakPolarHBondContact CD-OD2 3.43Å; P112-D115 HydrophobicContact CG-CB 4.19Å; P112-D115 WeakPolarHBondContact CG-OD2 3.49Å; P112-D115 PolarHBondContact O-N 3.29Å; K113-D115 PolarHBondContact O-N 3.22Å; D115-A127 CarbonylContact O-C 3.56Å; D115-A127 WeakPolarHBondContact O-CA 3.42Å; D115-M128 PolarHBondContact O-N 3.07Å
116	F	95.7	Very high	94.4	Very high	69 Å²	69	50 Å²	50	30%	0.303	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.7	-175.3	-61.4	-90.5	0	0	0	113.1	Y100 P112 K113 E114 L126 A127 M128	Y100-F116 HydrophobicContact CE1-CD2 4.37Å; Y100-F116 VanDerWaalsContact OH-CB 3.32Å; Y100-F116 WeakPolarHBondContact OH-CB 3.38Å; P112-F116 WeakPolarHBondContact O-CD2 3.37Å; K113-F116 PolarHBondContact O-N 2.78Å; K113-F116 VanDerWaalsContact O-N 3.16Å; E114-F116 VanDerWaalsContact C-N 3.31Å; F116-L126 CarbonylContact C-O 3.4Å; F116-L126 VanDerWaalsContact CA-O 3.25Å; F116-L126 WeakPolarHBondContact CA-O 3.23Å; F116-A127 HydrophobicContact CD1-CB 4.46Å; F116-A127 HydrophobicContact CE1-CB 4.38Å; F116-M128 WeakPolarHBondContact O-CE 3.31Å
117	F	96	Very high	94.3	Very high	33 Å²	33	50.5 Å²	50.5	15%	0.145	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	157.5	166.3	66.2	-67.2	0	0	0	109.8	C119 C125 L126 A127 M128 L130 Q131 H134	F117-C119 HydrophobicContact CD2-CB 4.4Å; F117-C119 HydrophobicContact CE2-CB 3.81Å; F117-C125 CarbonylContact O-C 3.47Å; F117-C125 VanDerWaalsContact O-CA 3.29Å; F117-C125 WeakPolarHBondContact O-CA 3.31Å; F117-L126 HydrophobicContact CD1-CB 4.26Å; F117-L126 WeakPolarHBondContact CD1-O 3.36Å; F117-L126 HydrophobicContact CE1-CB 3.63Å; F117-L126 HydrophobicContact CZ-CB 3.82Å; F117-L126 HydrophobicContact CZ-CD1 3.99Å; F117-L126 PolarHBondContact N-O 3.27Å; F117-L126 PolarHBondContact O-N 3.21Å; F117-A127 VanDerWaalsContact CE1-O 3.31Å; F117-A127 WeakPolarHBondContact CE1-O 3.39Å; F117-M128 HydrophobicContact CB-CE 3.26Å; F117-M128 HydrophobicContact CD1-CE 3.49Å; F117-M128 VanDerWaalsContact CD1-CE 3.49Å; F117-M128 HydrophobicContact CG-CE 3.77Å; F117-L130 HydrophobicContact CE1-CB 4.32Å; F117-Q131 HydrophobicContact CD1-CB 3.93Å; F117-Q131 HydrophobicContact CD1-CG 4.29Å; F117-Q131 HydrophobicContact CD2-CG 4.36Å; F117-Q131 HydrophobicContact CE1-CB 3.63Å; F117-Q131 HydrophobicContact CE1-CG 4.23Å; F117-Q131 HydrophobicContact CE2-CG 4.31Å; F117-Q131 HydrophobicContact CG-CB 4.49Å; F117-Q131 HydrophobicContact CG-CG 4.36Å; F117-Q131 HydrophobicContact CZ-CB 3.97Å; F117-Q131 HydrophobicContact CZ-CG 4.27Å; F117-H134 AromaticContact CE2-CE1 3.99Å; F117-H134 AromaticContact CZ-CE1 3.8Å; F117-H134 AromaticContact CZ-ND1 3.84Å
118	H	96.2	Very high	94.4	Very high	33 Å²	33	53.4 Å²	53.4	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	167.2	-171.9	92.1	0	0	0	110	C102 N104 C105	C102-H118 PolarHBondContact SG-ND1 3.49Å; C102-H118 VanDerWaalsContact SG-ND1 3.43Å; N104-H118 VanDerWaalsContact CB-CD2 3.45Å; N104-H118 WeakPolarHBondContact CB-CD2 3.46Å; N104-H118 VanDerWaalsContact CB-CE1 3.46Å; N104-H118 WeakPolarHBondContact CB-CE1 3.36Å; N104-H118 VanDerWaalsContact CB-NE2 3.34Å; N104-H118 WeakPolarHBondContact CB-NE2 3.16Å; C105-H118 PolarHBondContact SG-CE1 3.21Å; C105-H118 PolarHBondContact SG-ND1 2.82Å
119	C	95.4	Very high	94.3	Very high	15 Å²	15	56.7 Å²	56.7	10%	0.101	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.2	169.4	-178.5	0	0	0	0	109.6	F117 K121 C122 N123 L124 L126 H134	F117-C119 HydrophobicContact CD2-CB 4.4Å; F117-C119 HydrophobicContact CE2-CB 3.81Å; C119-K121 VanDerWaalsContact C-N 3.33Å; C119-K121 PolarHBondContact O-N 2.82Å; C119-C122 HydrophobicContact CB-CB 3.94Å; C119-C122 PolarHBondContact O-N 3.32Å; C119-N123 WeakPolarHBondContact O-CA 3.43Å; C119-N123 PolarHBondContact O-N 2.91Å; C119-L124 PolarHBondContact N-O 3.08Å; C119-L124 PolarHBondContact O-N 3.26Å; C119-L126 HydrophobicContact CB-CD1 4.27Å; C119-H134 PolarHBondContact SG-NE2 3.49Å; C119-H134 VanDerWaalsContact SG-NE2 3.41Å
120	L	95	Very high	94.2	Very high	115 Å²	115	57.2 Å²	57.2	60%	0.602	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-40.6	-178.6	-68	172.1	0	0	0	112.9	N104 N123	N104-L120 HydrophobicContact CB-CD2 4.47Å; L120-N123 PolarHBondContact O-N 3.07Å; L120-N123 PolarHBondContact O-OD1 2.73Å
121	K	94.8	Very high	94.3	Very high	119 Å²	119	57.7 Å²	57.7	52%	0.517	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-42.8	179.1	-179.6	172.7	178.4	-173.4	0	111.7	C119 N123 E138 N139	C119-K121 VanDerWaalsContact C-N 3.33Å; C119-K121 PolarHBondContact O-N 2.82Å; K121-N123 VanDerWaalsContact C-N 3.26Å; K121-N123 PolarHBondContact O-N 2.58Å; K121-E138 HydrophobicContact CG-CB 4.27Å; K121-E138 CarbonylContact O-C 3.53Å; K121-E138 VanDerWaalsContact O-CA 3.27Å; K121-E138 WeakPolarHBondContact O-CA 3.39Å; K121-N139 PolarHBondContact O-N 2.72Å
122	C	93.6	Very high	94.3	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.014	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.9	176.2	-62.4	0	0	0	0	113.4	C119 L124 I137 V140	C119-C122 HydrophobicContact CB-CB 3.94Å; C119-C122 PolarHBondContact O-N 3.32Å; C122-L124 VanDerWaalsContact C-N 3.3Å; C122-L124 HydrophobicContact CB-CB 4.13Å; C122-L124 PolarHBondContact O-N 3.39Å; C122-I137 WeakPolarHBondContact CA-O 3.47Å; C122-I137 PolarHBondContact SG-O 3.34Å; C122-V140 HydrophobicContact CB-CG1 3.94Å; C122-V140 PolarHBondContact O-N 3.2Å
123	N	92.9	Very high	94.1	Very high	42 Å²	42	68.6 Å²	68.6	23%	0.225	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	46	-167.4	-81.2	-35.7	0	0	0	112.6	C119 L120 K121 N139 S141 H153	C119-N123 WeakPolarHBondContact O-CA 3.43Å; C119-N123 PolarHBondContact O-N 2.91Å; L120-N123 PolarHBondContact O-N 3.07Å; L120-N123 PolarHBondContact O-OD1 2.73Å; K121-N123 VanDerWaalsContact C-N 3.26Å; K121-N123 PolarHBondContact O-N 2.58Å; N123-N139 PolarHBondContact ND2-OD1 3.05Å; N123-S141 PolarHBondContact O-OG 3.43Å; N123-H153 PolarHBondContact O-CE1 3.32Å
124	L	92.6	Very high	93.9	Very high	10 Å²	10	64 Å²	64	5%	0.052	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.9	-173	-174.4	55.9	0	0	0	112.2	C119 C122 L126 L167	C119-L124 PolarHBondContact N-O 3.08Å; C119-L124 PolarHBondContact O-N 3.26Å; C122-L124 VanDerWaalsContact C-N 3.3Å; C122-L124 HydrophobicContact CB-CB 4.13Å; C122-L124 PolarHBondContact O-N 3.39Å; L124-L126 HydrophobicContact CD2-CD2 3.62Å; L124-L126 HydrophobicContact CD2-CG 4.38Å; L124-L126 HydrophobicContact CG-CD2 3.91Å; L124-L126 HydrophobicContact CG-CG 4.26Å; L124-L167 HydrophobicContact CD2-CD1 3.79Å; L124-L167 HydrophobicContact CD2-CD2 3.95Å
125	C	94	Very high	93.7	Very high	18 Å²	18	63.3 Å²	63.3	12%	0.122	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.2	164.6	-68.1	0	0	0	0	110.5	C102 C105 R109 F117	C102-C125 PolarHBondContact SG-SG 3.07Å; C105-C125 VanDerWaalsContact SG-SG 3.63Å; R109-C125 HydrophobicContact CG-CB 4.44Å; F117-C125 CarbonylContact O-C 3.47Å; F117-C125 VanDerWaalsContact O-CA 3.29Å; F117-C125 WeakPolarHBondContact O-CA 3.31Å
126	L	92.8	Very high	93.5	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152	-178.7	-65.5	176.7	0	0	0	109.6	F116 F117 C119 L124 L130 H134 V161	F116-L126 CarbonylContact C-O 3.4Å; F116-L126 VanDerWaalsContact CA-O 3.25Å; F116-L126 WeakPolarHBondContact CA-O 3.23Å; F117-L126 HydrophobicContact CD1-CB 4.26Å; F117-L126 WeakPolarHBondContact CD1-O 3.36Å; F117-L126 HydrophobicContact CE1-CB 3.63Å; F117-L126 HydrophobicContact CZ-CB 3.82Å; F117-L126 HydrophobicContact CZ-CD1 3.99Å; F117-L126 PolarHBondContact N-O 3.27Å; F117-L126 PolarHBondContact O-N 3.21Å; C119-L126 HydrophobicContact CB-CD1 4.27Å; L124-L126 HydrophobicContact CD2-CD2 3.62Å; L124-L126 HydrophobicContact CD2-CG 4.38Å; L124-L126 HydrophobicContact CG-CD2 3.91Å; L124-L126 HydrophobicContact CG-CG 4.26Å; L126-L130 HydrophobicContact CB-CB 4.34Å; L126-L130 HydrophobicContact CB-CD1 4.26Å; L126-L130 HydrophobicContact CD2-CD1 4.09Å; L126-H134 HydrophobicContact CD1-CB 4.34Å; L126-V161 HydrophobicContact CD2-CG2 3.67Å
127	A	93.1	Very high	93.3	Very high	33 Å²	33	60.5 Å²	60.5	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	146.3	175.3	0	0	0	0	0	111.4	D115 F116 F117 N129 L130	D115-A127 CarbonylContact O-C 3.56Å; D115-A127 WeakPolarHBondContact O-CA 3.42Å; F116-A127 HydrophobicContact CD1-CB 4.46Å; F116-A127 HydrophobicContact CE1-CB 4.38Å; F117-A127 VanDerWaalsContact CE1-O 3.31Å; F117-A127 WeakPolarHBondContact CE1-O 3.39Å; A127-N129 WeakPolarHBondContact CB-OD1 3.29Å; A127-N129 PolarHBondContact O-N 3.37Å; A127-N129 VanDerWaalsContact O-N 3.09Å; A127-L130 WeakPolarHBondContact O-CB 3.34Å; A127-L130 PolarHBondContact O-N 3.46Å
128	M	94.8	Very high	93.2	Very high	68 Å²	68	65.3 Å²	65.3	34%	0.335	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-49.4	-37.8	-179.7	-82.2	-64.1	90.6	0	0	113.2	E114 D115 F116 F117 L130 Q131	E114-M128 WeakPolarHBondContact O-CG 3.45Å; D115-M128 PolarHBondContact O-N 3.07Å; F116-M128 WeakPolarHBondContact O-CE 3.31Å; F117-M128 HydrophobicContact CB-CE 3.26Å; F117-M128 HydrophobicContact CD1-CE 3.49Å; F117-M128 VanDerWaalsContact CD1-CE 3.49Å; F117-M128 HydrophobicContact CG-CE 3.77Å; M128-L130 PolarHBondContact O-N 3Å; M128-L130 VanDerWaalsContact O-N 3.13Å; M128-Q131 WeakPolarHBondContact O-CB 3.47Å; M128-Q131 PolarHBondContact O-N 3.33Å
129	N	92.6	Very high	92.9	Very high	94 Å²	94	66.7 Å²	66.7	50%	0.503	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23	178.8	69.6	-16.4	0	0	0	112.9	A127 Q131 R133	A127-N129 WeakPolarHBondContact CB-OD1 3.29Å; A127-N129 PolarHBondContact O-N 3.37Å; A127-N129 VanDerWaalsContact O-N 3.09Å; N129-Q131 VanDerWaalsContact C-N 3.35Å; N129-R133 PolarHBondContact O-NE 2.75Å; N129-R133 PolarHBondContact O-NH2 3.07Å
130	L	92.3	Very high	92.7	Very high	52 Å²	52	66.3 Å²	66.3	27%	0.272	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-85.7	-6	177	-67.9	177.6	0	0	0	113.4	F117 L126 A127 M128 G132 R133 H134 V161	F117-L130 HydrophobicContact CE1-CB 4.32Å; L126-L130 HydrophobicContact CB-CB 4.34Å; L126-L130 HydrophobicContact CB-CD1 4.26Å; L126-L130 HydrophobicContact CD2-CD1 4.09Å; A127-L130 WeakPolarHBondContact O-CB 3.34Å; A127-L130 PolarHBondContact O-N 3.46Å; M128-L130 PolarHBondContact O-N 3Å; M128-L130 VanDerWaalsContact O-N 3.13Å; L130-G132 PolarHBondContact O-N 2.93Å; L130-R133 PolarHBondContact O-N 2.92Å; L130-R133 VanDerWaalsContact O-N 3.08Å; L130-H134 HydrophobicContact CB-CB 4.22Å; L130-H134 PolarHBondContact O-N 2.82Å; L130-H134 PolarHBondContact O-ND1 2.92Å; L130-V161 HydrophobicContact CD1-CG2 4.37Å
131	Q	93.6	Very high	92.4	Very high	113 Å²	113	60.8 Å²	60.8	53%	0.528	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	123	-180	-165	170.9	-4	0	0	110.2	F117 M128 N129 R133	F117-Q131 HydrophobicContact CD1-CB 3.93Å; F117-Q131 HydrophobicContact CD1-CG 4.29Å; F117-Q131 HydrophobicContact CD2-CG 4.36Å; F117-Q131 HydrophobicContact CE1-CB 3.63Å; F117-Q131 HydrophobicContact CE1-CG 4.23Å; F117-Q131 HydrophobicContact CE2-CG 4.31Å; F117-Q131 HydrophobicContact CG-CB 4.49Å; F117-Q131 HydrophobicContact CG-CG 4.36Å; F117-Q131 HydrophobicContact CZ-CB 3.97Å; F117-Q131 HydrophobicContact CZ-CG 4.27Å; M128-Q131 WeakPolarHBondContact O-CB 3.47Å; M128-Q131 PolarHBondContact O-N 3.33Å; N129-Q131 VanDerWaalsContact C-N 3.35Å; Q131-R133 PolarHBondContact O-N 2.84Å; Q131-R133 VanDerWaalsContact O-N 3.15Å
132	G	92.1	Very high	92.1	Very high	79 Å²	79	61.5 Å²	61.5	81%	0.814	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	-5.8	-175.6	0	0	0	0	0	116.1	L130	L130-G132 PolarHBondContact O-N 2.93Å
133	R	91	Very high	91.9	Very high	188 Å²	188	66.3 Å²	66.3	71%	0.709	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-19.3	-175.8	-62	-166.5	-66.5	170.2	-6	114.8	N129 L130 Q131	N129-R133 PolarHBondContact O-NE 2.75Å; N129-R133 PolarHBondContact O-NH2 3.07Å; L130-R133 PolarHBondContact O-N 2.92Å; L130-R133 VanDerWaalsContact O-N 3.08Å; Q131-R133 PolarHBondContact O-N 2.84Å; Q131-R133 VanDerWaalsContact O-N 3.15Å
134	H	90.8	Very high	91.9	Very high	34 Å²	34	68.5 Å²	68.5	16%	0.157	35%	0.35	C	S	.	.	S	Bend	trans	-73.1	149.8	176.7	69.5	-75.7	0	0	0	111.8	F117 C119 L126 L130 C136	F117-H134 AromaticContact CE2-CE1 3.99Å; F117-H134 AromaticContact CZ-CE1 3.8Å; F117-H134 AromaticContact CZ-ND1 3.84Å; C119-H134 PolarHBondContact SG-NE2 3.49Å; C119-H134 VanDerWaalsContact SG-NE2 3.41Å; L126-H134 HydrophobicContact CD1-CB 4.34Å; L130-H134 HydrophobicContact CB-CB 4.22Å; L130-H134 PolarHBondContact O-N 2.82Å; L130-H134 PolarHBondContact O-ND1 2.92Å; H134-C136 PolarHBondContact O-N 2.92Å; H134-C136 VanDerWaalsContact O-N 3.11Å
135	K	91.7	Very high	92.1	Very high	117 Å²	117	68 Å²	68	51%	0.509	35%	0.347	S	S	.	.			trans	-72.7	104.2	168.5	-170.4	177.9	172.5	-170	0	109.1	I137 C164	K135-I137 HydrophobicContact CD-CD1 4.44Å; K135-I137 HydrophobicContact CG-CG1 4.29Å; K135-I137 PolarHBondContact O-N 3.5Å; K135-I137 VanDerWaalsContact O-N 3.15Å; K135-C164 VanDerWaalsContact CD-O 3.25Å; K135-C164 WeakPolarHBondContact CD-O 3.39Å; K135-C164 WeakPolarHBondContact CE-O 3.45Å; K135-C164 PolarHBondContact NZ-O 3.11Å
136	C	92.8	Very high	92.2	Very high	49 Å²	49	69.1 Å²	69.1	33%	0.331	35%	0.354	S	S	.	.			trans	-78.2	99.1	-173.2	-163.7	0	0	0	0	111.4	H134	H134-C136 PolarHBondContact O-N 2.92Å; H134-C136 VanDerWaalsContact O-N 3.11Å
137	I	92.1	Very high	92.3	Very high	47 Å²	47	72 Å²	72	24%	0.241	37%	0.369	C	S	.	.			trans	-105.6	128.8	179.4	-59.4	178.4	0	0	0	108.9	C122 K135 N139 V140	C122-I137 WeakPolarHBondContact CA-O 3.47Å; C122-I137 PolarHBondContact SG-O 3.34Å; K135-I137 HydrophobicContact CD-CD1 4.44Å; K135-I137 HydrophobicContact CG-CG1 4.29Å; K135-I137 PolarHBondContact O-N 3.5Å; K135-I137 VanDerWaalsContact O-N 3.15Å; I137-N139 PolarHBondContact O-N 3.38Å; I137-V140 HydrophobicContact CB-CB 3.99Å; I137-V140 HydrophobicContact CB-CG1 4.5Å; I137-V140 HydrophobicContact CB-CG2 4.29Å; I137-V140 HydrophobicContact CG2-CB 4.06Å; I137-V140 HydrophobicContact CG2-CG2 4.29Å; I137-V140 PolarHBondContact O-N 2.83Å
138	E	93.2	Very high	92.4	Very high	133 Å²	133	72.7 Å²	72.7	62%	0.621	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	131.5	-176.9	-176.4	171	-166.5	0	0	111.9	K121 V140	K121-E138 HydrophobicContact CG-CB 4.27Å; K121-E138 CarbonylContact O-C 3.53Å; K121-E138 VanDerWaalsContact O-CA 3.27Å; K121-E138 WeakPolarHBondContact O-CA 3.39Å; E138-V140 PolarHBondContact O-N 2.99Å
139	N	90.4	Very high	92.4	Very high	63 Å²	63	75.4 Å²	75.4	34%	0.337	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	23.7	176.1	-69.3	-51.5	0	0	0	115.4	K121 N123 I137 S141 R142	K121-N139 PolarHBondContact O-N 2.72Å; N123-N139 PolarHBondContact ND2-OD1 3.05Å; I137-N139 PolarHBondContact O-N 3.38Å; N139-S141 PolarHBondContact O-N 3.06Å; N139-S141 VanDerWaalsContact O-N 3.11Å; N139-R142 HydrophobicContact CB-CB 4.46Å; N139-R142 HydrophobicContact CB-CG 4.3Å; N139-R142 WeakPolarHBondContact O-CB 3.45Å; N139-R142 PolarHBondContact O-N 3.36Å
140	V	90.3	Very high	92.5	Very high	6 Å²	6	76.6 Å²	76.6	4%	0.036	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-60.3	-29.4	-172.8	67.7	0	0	0	0	113.4	C122 I137 E138 R142 L167	C122-V140 HydrophobicContact CB-CG1 3.94Å; C122-V140 PolarHBondContact O-N 3.2Å; I137-V140 HydrophobicContact CB-CB 3.99Å; I137-V140 HydrophobicContact CB-CG1 4.5Å; I137-V140 HydrophobicContact CB-CG2 4.29Å; I137-V140 HydrophobicContact CG2-CB 4.06Å; I137-V140 HydrophobicContact CG2-CG2 4.29Å; I137-V140 PolarHBondContact O-N 2.83Å; E138-V140 PolarHBondContact O-N 2.99Å; V140-R142 VanDerWaalsContact C-N 3.26Å; V140-R142 PolarHBondContact O-N 3.38Å; V140-L167 HydrophobicContact CB-CD1 4.48Å; V140-L167 HydrophobicContact CG1-CD1 4.05Å; V140-L167 HydrophobicContact CG1-CG 4.38Å; V140-L167 HydrophobicContact CG2-CD1 4.14Å; V140-L167 HydrophobicContact CG2-CG 3.94Å; V140-L167 WeakPolarHBondContact O-CD1 3.42Å
141	S	88.1	Confident	92.5	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-72.5	-16.4	176.4	73.5	0	0	0	0	114.7	N123 N139 Q143 H153	N123-S141 PolarHBondContact O-OG 3.43Å; N139-S141 PolarHBondContact O-N 3.06Å; N139-S141 VanDerWaalsContact O-N 3.11Å; S141-Q143 PolarHBondContact O-N 3.06Å; S141-H153 WeakPolarHBondContact O-CB 3.32Å; S141-H153 PolarHBondContact OG-ND1 2.9Å
142	R	88.4	Confident	92.5	Very high	134 Å²	134	71.5 Å²	71.5	51%	0.506	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-85	4.9	-179	-57.9	-63.2	-171.4	175.5	-2.4	112.5	N139 V140	N139-R142 HydrophobicContact CB-CB 4.46Å; N139-R142 HydrophobicContact CB-CG 4.3Å; N139-R142 WeakPolarHBondContact O-CB 3.45Å; N139-R142 PolarHBondContact O-N 3.36Å; V140-R142 VanDerWaalsContact C-N 3.26Å; V140-R142 PolarHBondContact O-N 3.38Å
143	Q	89.4	Confident	92.4	Very high	102 Å²	102	67.8 Å²	67.8	48%	0.477	33%	0.327	S	S	.	.	S	Bend	trans	-96.8	146.3	173	-61.7	-177.3	-12.1	0	0	109.6	S141 I152	S141-Q143 PolarHBondContact O-N 3.06Å; Q143-I152 WeakPolarHBondContact O-CD1 3.38Å; Q143-I152 WeakPolarHBondContact O-CG1 3.18Å
144	N	94.4	Very high	92.2	Very high	88 Å²	88	61.5 Å²	61.5	47%	0.471	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-71.3	156.3	172.1	-68.4	-1	0	0	0	110.4	P146 L149 E150	N144-P146 WeakPolarHBondContact O-CD 3.1Å; N144-L149 WeakPolarHBondContact CB-O 3.43Å; N144-L149 PolarHBondContact ND2-O 3.44Å; N144-E150 CarbonylContact C-O 3.47Å; N144-E150 VanDerWaalsContact CA-O 3.28Å; N144-E150 WeakPolarHBondContact CA-O 3.4Å; N144-E150 WeakPolarHBondContact CB-O 3.44Å
145	C	96.3	Very high	92	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-62.4	125.1	172.3	-178.4	0	0	0	0	109.2	I147 L149 E150 I152 H169	C145-I147 PolarHBondContact O-N 3.22Å; C145-L149 WeakPolarHBondContact O-CA 3.48Å; C145-L149 PolarHBondContact O-N 3.4Å; C145-E150 PolarHBondContact N-O 3.16Å; C145-I152 HydrophobicContact CB-CD1 4.15Å; C145-I152 HydrophobicContact CB-CG1 3.98Å; C145-H169 VanDerWaalsContact CB-ND1 3.32Å; C145-H169 WeakPolarHBondContact CB-ND1 3.46Å
146	P	95	Very high	91.6	Very high	41 Å²	41	62.3 Å²	62.3	27%	0.266	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8	-178.5	29.2	-38.9	0	0	0	114	N144 L168 P184 L185	N144-P146 WeakPolarHBondContact O-CD 3.1Å; P146-L168 HydrophobicContact CG-CD2 3.39Å; P146-P184 HydrophobicContact CG-CG 4.05Å; P146-L185 HydrophobicContact CB-CD1 4.26Å; P146-L185 HydrophobicContact CB-CD2 3.81Å; P146-L185 HydrophobicContact CB-CG 4.01Å; P146-L185 HydrophobicContact CG-CD1 3.91Å; P146-L185 HydrophobicContact CG-CD2 4.32Å; P146-L185 HydrophobicContact CG-CG 3.97Å
147	I	95.9	Very high	91.3	Very high	72 Å²	72	62.5 Å²	62.5	37%	0.369	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-57.1	-179.6	-65.5	175.4	0	0	0	110.7	C145 L168 C172 M176 P184	C145-I147 PolarHBondContact O-N 3.22Å; I147-L168 HydrophobicContact CD1-CD1 3.91Å; I147-L168 HydrophobicContact CD1-CD2 3.93Å; I147-L168 HydrophobicContact CD1-CG 4.47Å; I147-L168 HydrophobicContact CG1-CD2 4.17Å; I147-C172 HydrophobicContact CB-CB 3.92Å; I147-C172 HydrophobicContact CD1-CB 3.89Å; I147-C172 WeakPolarHBondContact CD1-O 3.34Å; I147-C172 HydrophobicContact CG1-CB 4.45Å; I147-C172 HydrophobicContact CG2-CB 3.98Å; I147-M176 HydrophobicContact CD1-CB 3.87Å; I147-M176 HydrophobicContact CD1-CG 4.36Å; I147-P184 HydrophobicContact CG1-CG 4.38Å
148	C	95.9	Very high	91.2	Very high	47 Å²	47	65.4 Å²	65.4	32%	0.318	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-8.3	-179.5	65.1	0	0	0	0	114.3	E150 H169	C148-E150 HydrophobicContact CB-CG 4.29Å; C148-E150 PolarHBondContact O-N 3.31Å; C148-H169 PolarHBondContact SG-ND1 2.92Å
149	L	95	Very high	91.1	Very high	124 Å²	124	60.5 Å²	60.5	65%	0.649	31%	0.314	S	S	*	.			trans	63.7	13.3	-176.5	-51.1	178	0	0	0	115.1	N144 C145	N144-L149 WeakPolarHBondContact CB-O 3.43Å; N144-L149 PolarHBondContact ND2-O 3.44Å; C145-L149 WeakPolarHBondContact O-CA 3.48Å; C145-L149 PolarHBondContact O-N 3.4Å
150	E	93.9	Very high	91.2	Very high	120 Å²	120	59.6 Å²	59.6	56%	0.561	31%	0.308	S	S	*	.			trans	-89.8	157.7	177.6	-60.1	177.2	176.9	0	0	112.8	N144 C145 C148 I152	N144-E150 CarbonylContact C-O 3.47Å; N144-E150 VanDerWaalsContact CA-O 3.28Å; N144-E150 WeakPolarHBondContact CA-O 3.4Å; N144-E150 WeakPolarHBondContact CB-O 3.44Å; C145-E150 PolarHBondContact N-O 3.16Å; C148-E150 HydrophobicContact CB-CG 4.29Å; C148-E150 PolarHBondContact O-N 3.31Å; E150-I152 PolarHBondContact O-N 3.03Å
151	D	92.8	Very high	91.3	Very high	51 Å²	51	61.1 Å²	61.1	27%	0.273	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-60.8	133.8	178.9	175.9	61	0	0	0	112.2	H153 T154 S155 H169	D151-H153 PolarHBondContact OD1-N 3.28Å; D151-H153 PolarHBondContact OD2-N 3.22Å; D151-T154 WeakPolarHBondContact OD2-CA 3.38Å; D151-T154 VanDerWaalsContact OD2-CB 3.23Å; D151-T154 WeakPolarHBondContact OD2-CB 3.47Å; D151-T154 WeakPolarHBondContact OD2-CG2 3.32Å; D151-T154 PolarHBondContact OD2-N 2.88Å; D151-T154 PolarHBondContact OD2-OG1 3.43Å; D151-S155 WeakPolarHBondContact O-CB 3.25Å; D151-H169 PolarHBondContact O-CE1 2.68Å; D151-H169 PolarHBondContact O-NE2 3.09Å
152	I	93.7	Very high	91.6	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	32%	0.318	C	S	.	.	S	Bend	trans	-88.2	-35.7	177	-62.1	-179.5	0	0	0	110.9	Q143 C145 E150 T154 A159 L167	Q143-I152 WeakPolarHBondContact O-CD1 3.38Å; Q143-I152 WeakPolarHBondContact O-CG1 3.18Å; C145-I152 HydrophobicContact CB-CD1 4.15Å; C145-I152 HydrophobicContact CB-CG1 3.98Å; E150-I152 PolarHBondContact O-N 3.03Å; I152-T154 PolarHBondContact O-N 3.49Å; I152-A159 HydrophobicContact CG2-CB 3.5Å; I152-L167 HydrophobicContact CD1-CB 3.54Å; I152-L167 HydrophobicContact CD1-CD1 4.49Å; I152-L167 HydrophobicContact CG2-CB 4.35Å; I152-L167 HydrophobicContact CG2-CD1 4.04Å
153	H	89.8	Confident	91.8	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.009	32%	0.318	C	S	.	.	S	Bend	trans	-66.8	-46.2	-166.3	-169.9	79.6	0	0	0	112.9	I107 R109 N123 S141 D151	I107-H153 WeakPolarHBondContact CD1-O 3.3Å; R109-H153 PolarHBondContact NH1-O 2.83Å; R109-H153 PolarHBondContact NH2-O 3.11Å; N123-H153 PolarHBondContact O-CE1 3.32Å; S141-H153 WeakPolarHBondContact O-CB 3.32Å; S141-H153 PolarHBondContact OG-ND1 2.9Å; D151-H153 PolarHBondContact OD1-N 3.28Å; D151-H153 PolarHBondContact OD2-N 3.22Å
154	T	86.9	Confident	92	Very high	56 Å²	56	54 Å²	54	34%	0.344	30%	0.297	S	S	.	.	S	Bend	trans	-102.1	-5.2	-173	74	0	0	0	0	113.6	D151 I152	D151-T154 WeakPolarHBondContact OD2-CA 3.38Å; D151-T154 VanDerWaalsContact OD2-CB 3.23Å; D151-T154 WeakPolarHBondContact OD2-CB 3.47Å; D151-T154 WeakPolarHBondContact OD2-CG2 3.32Å; D151-T154 PolarHBondContact OD2-N 2.88Å; D151-T154 PolarHBondContact OD2-OG1 3.43Å; I152-T154 PolarHBondContact O-N 3.49Å
155	S	86.6	Confident	92	Very high	31 Å²	31	49.8 Å²	49.8	22%	0.217	28%	0.275	C	S	.	.			trans	-62.4	150.2	175	179	0	0	0	0	111.7	D151 V157 H169	D151-S155 WeakPolarHBondContact O-CB 3.25Å; S155-V157 VanDerWaalsContact C-N 3.35Å; S155-V157 PolarHBondContact OG-N 3.17Å; S155-H169 WeakPolarHBondContact CB-NE2 3.36Å; S155-H169 PolarHBondContact OG-NE2 2.79Å
156	R	83.4	Confident	91.9	Very high	136 Å²	136	51.7 Å²	51.7	51%	0.513	28%	0.284	S	S	.	.	S	Bend	trans	-79.6	-23.3	171.9	-65.6	-179.6	-72.3	144.9	-11.6	112	H22 L42 V158	H22-R156 PolarHBondContact CD2-NH1 3Å; H22-R156 PolarHBondContact NE2-NH1 3.37Å; L42-R156 VanDerWaalsContact CD1-CD 3.42Å; R156-V158 PolarHBondContact O-N 3.38Å
157	V	86.9	Confident	91.9	Very high	53 Å²	53	50.1 Å²	50.1	32%	0.321	27%	0.273	S	S	.	.	S	Bend	trans	-74.1	122.1	176.5	-172.5	0	0	0	0	107.4	S155 A159 H169 R170 T171	S155-V157 VanDerWaalsContact C-N 3.35Å; S155-V157 PolarHBondContact OG-N 3.17Å; V157-A159 PolarHBondContact O-N 2.85Å; V157-H169 HydrophobicContact CB-CB 4.21Å; V157-H169 HydrophobicContact CG1-CB 3.75Å; V157-R170 HydrophobicContact CG1-CB 4.32Å; V157-T171 HydrophobicContact CG1-CG2 4.1Å
158	V	87.9	Confident	91.9	Very high	109 Å²	109	46.7 Å²	46.7	66%	0.661	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-56.9	134.9	-178.6	178.8	0	0	0	0	109.7	R156 R170	R156-V158 PolarHBondContact O-N 3.38Å; V158-R170 VanDerWaalsContact O-CB 3.31Å; V158-R170 WeakPolarHBondContact O-CB 3.21Å; V158-R170 PolarHBondContact O-N 2.87Å
159	A	92	Very high	91.9	Very high	29 Å²	29	44.6 Å²	44.6	24%	0.24	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.7	172.9	0	0	0	0	0	110.3	I152 V157 L167 L168	I152-A159 HydrophobicContact CG2-CB 3.5Å; V157-A159 PolarHBondContact O-N 2.85Å; A159-L167 HydrophobicContact CB-CD2 4.5Å; A159-L168 CarbonylContact C-O 3.54Å; A159-L168 WeakPolarHBondContact CA-O 3.34Å
160	H	92.9	Very high	92	Very high	44 Å²	44	43.6 Å²	43.6	20%	0.204	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.2	171.1	-166.8	73.6	0	0	0	109.7	L167 L168 R170 Y173	H160-L167 WeakPolarHBondContact O-CA 3.49Å; H160-L168 PolarHBondContact N-O 3Å; H160-L168 PolarHBondContact O-N 3.34Å; H160-L168 VanDerWaalsContact O-N 3.11Å; H160-R170 PolarHBondContact CE1-NH1 2.71Å; H160-R170 PolarHBondContact ND1-NH1 3.17Å; H160-Y173 HydrophobicContact CB-CD1 4.47Å; H160-Y173 HydrophobicContact CB-CG 4.27Å; H160-Y173 AromaticContact CD2-CD1 3.64Å; H160-Y173 AromaticContact CD2-CD2 3.53Å; H160-Y173 AromaticContact CD2-CE1 3.7Å; H160-Y173 AromaticContact CD2-CE2 3.58Å; H160-Y173 AromaticContact CD2-CG 3.53Å; H160-Y173 AromaticContact CD2-CZ 3.64Å; H160-Y173 AromaticContact CE1-CE1 3.81Å; H160-Y173 AromaticContact CG-CD1 3.83Å; H160-Y173 AromaticContact CG-CG 3.9Å; H160-Y173 AromaticContact NE2-CD1 3.91Å; H160-Y173 AromaticContact NE2-CE1 3.47Å; H160-Y173 WeakPolarHBondContact NE2-CE1 3.34Å; H160-Y173 AromaticContact NE2-CE2 3.66Å; H160-Y173 AromaticContact NE2-CZ 3.3Å; H160-Y173 VanDerWaalsContact NE2-CZ 3.3Å
161	V	92.9	Very high	92.1	Very high	39 Å²	39	41.3 Å²	41.3	24%	0.236	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.2	178.3	-168.9	0	0	0	0	109.2	L126 L130 L167	L126-V161 HydrophobicContact CD2-CG2 3.67Å; L130-V161 HydrophobicContact CD1-CG2 4.37Å; V161-L167 HydrophobicContact CB-CD2 4.09Å; V161-L167 HydrophobicContact CG1-CD2 4.22Å; V161-L167 HydrophobicContact CG2-CD2 3.61Å
162	L	94.4	Very high	92.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.214	C	C	.	.			trans	-71.4	157.8	175.9	-65.4	178.7	0	0	0	111.5	C164 G165 H166 L168 Y173 C183 A190	L162-C164 PolarHBondContact O-N 2.62Å; L162-C164 VanDerWaalsContact O-N 3.14Å; L162-G165 WeakPolarHBondContact O-CA 3.42Å; L162-G165 PolarHBondContact O-N 3.46Å; L162-H166 WeakPolarHBondContact CB-O 3.26Å; L162-H166 HydrophobicContact CD1-CB 4.36Å; L162-H166 PolarHBondContact N-O 3.02Å; L162-L168 HydrophobicContact CD1-CD1 4.01Å; L162-L168 HydrophobicContact CD1-CG 4.18Å; L162-L168 HydrophobicContact CD2-CD1 4.48Å; L162-L168 HydrophobicContact CG-CD1 4.5Å; L162-Y173 HydrophobicContact CD2-CD2 3.65Å; L162-Y173 HydrophobicContact CD2-CE2 3.56Å; L162-C183 HydrophobicContact CD1-CB 3.84Å; L162-C183 VanDerWaalsContact CD1-SG 3.6Å; L162-A190 HydrophobicContact CD2-CB 3.78Å
163	P	92.7	Very high	92.5	Very high	78 Å²	78	40.1 Å²	40.1	51%	0.506	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.7	175.1	-27	35.6	0	0	0	113.6	G165	P163-G165 PolarHBondContact O-N 3.48Å
164	C	93.6	Very high	92.8	Very high	3 Å²	3	44 Å²	44	2%	0.02	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.3	176.2	70.2	0	0	0	0	114.4	K135 L162 H166 C183 C186 H188	K135-C164 VanDerWaalsContact CD-O 3.25Å; K135-C164 WeakPolarHBondContact CD-O 3.39Å; K135-C164 WeakPolarHBondContact CE-O 3.45Å; K135-C164 PolarHBondContact NZ-O 3.11Å; L162-C164 PolarHBondContact O-N 2.62Å; L162-C164 VanDerWaalsContact O-N 3.14Å; C164-H166 PolarHBondContact SG-ND1 3.46Å; C164-C183 VanDerWaalsContact SG-SG 3.6Å; C164-C186 VanDerWaalsContact SG-SG 3.69Å; C164-H188 HydrophobicContact CB-CB 3.63Å
165	G	93.1	Very high	93.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.01	24%	0.241	C	C	.	.	S	Bend	trans	91.9	-10.5	179.1	0	0	0	0	0	115.6	L162 P163	L162-G165 WeakPolarHBondContact O-CA 3.42Å; L162-G165 PolarHBondContact O-N 3.46Å; P163-G165 PolarHBondContact O-N 3.48Å
166	H	94.7	Very high	93.8	Very high	40 Å²	40	45.9 Å²	45.9	19%	0.185	24%	0.236	C	C	.	.			trans	-70.2	152.4	177	-66	126.1	0	0	0	111.7	L162 C164 C183 L185	L162-H166 WeakPolarHBondContact CB-O 3.26Å; L162-H166 HydrophobicContact CD1-CB 4.36Å; L162-H166 PolarHBondContact N-O 3.02Å; C164-H166 PolarHBondContact SG-ND1 3.46Å; H166-C183 PolarHBondContact ND1-SG 3.35Å; H166-L185 HydrophobicContact CB-CD1 3.99Å
167	L	95.2	Very high	94.4	Very high	8 Å²	8	42 Å²	42	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.8	-179.8	-61	177.4	0	0	0	111.5	L124 V140 I152 A159 H160 V161	L124-L167 HydrophobicContact CD2-CD1 3.79Å; L124-L167 HydrophobicContact CD2-CD2 3.95Å; V140-L167 HydrophobicContact CB-CD1 4.48Å; V140-L167 HydrophobicContact CG1-CD1 4.05Å; V140-L167 HydrophobicContact CG1-CG 4.38Å; V140-L167 HydrophobicContact CG2-CD1 4.14Å; V140-L167 HydrophobicContact CG2-CG 3.94Å; V140-L167 WeakPolarHBondContact O-CD1 3.42Å; I152-L167 HydrophobicContact CD1-CB 3.54Å; I152-L167 HydrophobicContact CD1-CD1 4.49Å; I152-L167 HydrophobicContact CG2-CB 4.35Å; I152-L167 HydrophobicContact CG2-CD1 4.04Å; A159-L167 HydrophobicContact CB-CD2 4.5Å; H160-L167 WeakPolarHBondContact O-CA 3.49Å; V161-L167 HydrophobicContact CB-CD2 4.09Å; V161-L167 HydrophobicContact CG1-CD2 4.22Å; V161-L167 HydrophobicContact CG2-CD2 3.61Å
168	L	96.2	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157	166	-57.6	178	0	0	0	108.3	P146 I147 A159 H160 L162 Y173 M176 P184	P146-L168 HydrophobicContact CG-CD2 3.39Å; I147-L168 HydrophobicContact CD1-CD1 3.91Å; I147-L168 HydrophobicContact CD1-CD2 3.93Å; I147-L168 HydrophobicContact CD1-CG 4.47Å; I147-L168 HydrophobicContact CG1-CD2 4.17Å; A159-L168 CarbonylContact C-O 3.54Å; A159-L168 WeakPolarHBondContact CA-O 3.34Å; H160-L168 PolarHBondContact N-O 3Å; H160-L168 PolarHBondContact O-N 3.34Å; H160-L168 VanDerWaalsContact O-N 3.11Å; L162-L168 HydrophobicContact CD1-CD1 4.01Å; L162-L168 HydrophobicContact CD1-CG 4.18Å; L162-L168 HydrophobicContact CD2-CD1 4.48Å; L162-L168 HydrophobicContact CG-CD1 4.5Å; L168-Y173 HydrophobicContact CD1-CD2 4.26Å; L168-M176 HydrophobicContact CD1-CE 4.47Å; L168-M176 HydrophobicContact CD1-SD 3.65Å; L168-P184 HydrophobicContact CD2-CG 4.19Å
169	H	96.2	Very high	95.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147.8	159.3	-65.1	113.8	0	0	0	109.6	C145 C148 D151 S155 V157 T171 C172 Y173	C145-H169 VanDerWaalsContact CB-ND1 3.32Å; C145-H169 WeakPolarHBondContact CB-ND1 3.46Å; C148-H169 PolarHBondContact SG-ND1 2.92Å; D151-H169 PolarHBondContact O-CE1 2.68Å; D151-H169 PolarHBondContact O-NE2 3.09Å; S155-H169 WeakPolarHBondContact CB-NE2 3.36Å; S155-H169 PolarHBondContact OG-NE2 2.79Å; V157-H169 HydrophobicContact CB-CB 4.21Å; V157-H169 HydrophobicContact CG1-CB 3.75Å; H169-T171 VanDerWaalsContact C-N 3.26Å; H169-T171 PolarHBondContact O-N 3.27Å; H169-C172 HydrophobicContact CB-CB 4.15Å; H169-C172 WeakPolarHBondContact O-CB 3.03Å; H169-C172 PolarHBondContact O-N 3.14Å; H169-C172 VanDerWaalsContact O-N 3.08Å; H169-Y173 PolarHBondContact O-N 3.41Å
170	R	95.3	Very high	95.2	Very high	103 Å²	103	49.5 Å²	49.5	39%	0.389	25%	0.251	S	S	.	.	H	α-helix	trans	-54.8	-42.7	180	179.9	62.9	-172.6	-170.5	-0.1	112.5	V157 V158 H160 Y173 E174	V157-R170 HydrophobicContact CG1-CB 4.32Å; V158-R170 VanDerWaalsContact O-CB 3.31Å; V158-R170 WeakPolarHBondContact O-CB 3.21Å; V158-R170 PolarHBondContact O-N 2.87Å; H160-R170 PolarHBondContact CE1-NH1 2.71Å; H160-R170 PolarHBondContact ND1-NH1 3.17Å; R170-Y173 WeakPolarHBondContact O-CB 3.39Å; R170-Y173 PolarHBondContact O-N 2.86Å; R170-E174 IonicContact CZ-OE1 2.73Å; R170-E174 VanDerWaalsContact CZ-OE1 3.31Å; R170-E174 IonicContact NE-OE1 3.38Å; R170-E174 PolarHBondContact NE-OE1 3.48Å; R170-E174 IonicContact NH2-OE1 3.92Å; R170-E174 PolarHBondContact NH2-OE1 3.42Å; R170-E174 VanDerWaalsContact NH2-OE1 3.07Å; R170-E174 WeakPolarHBondContact O-CG 3.47Å; R170-E174 PolarHBondContact O-N 3.32Å
171	T	96.8	Very high	95.4	Very high	73 Å²	73	49.4 Å²	49.4	45%	0.448	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-45.6	176	50.5	0	0	0	0	111.6	V157 H169 Y173 E174 E175	V157-T171 HydrophobicContact CG1-CG2 4.1Å; H169-T171 VanDerWaalsContact C-N 3.26Å; H169-T171 PolarHBondContact O-N 3.27Å; T171-Y173 VanDerWaalsContact C-N 3.31Å; T171-Y173 PolarHBondContact O-N 2.85Å; T171-E174 PolarHBondContact O-N 2.83Å; T171-E175 WeakPolarHBondContact O-CG 3.41Å; T171-E175 PolarHBondContact O-N 3.3Å
172	C	97.7	Very high	95.6	Very high	12 Å²	12	52 Å²	52	8%	0.081	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-37.1	176.6	-69.1	0	0	0	0	112.4	I147 H169 M176	I147-C172 HydrophobicContact CB-CB 3.92Å; I147-C172 HydrophobicContact CD1-CB 3.89Å; I147-C172 WeakPolarHBondContact CD1-O 3.34Å; I147-C172 HydrophobicContact CG1-CB 4.45Å; I147-C172 HydrophobicContact CG2-CB 3.98Å; H169-C172 HydrophobicContact CB-CB 4.15Å; H169-C172 WeakPolarHBondContact O-CB 3.03Å; H169-C172 PolarHBondContact O-N 3.14Å; H169-C172 VanDerWaalsContact O-N 3.08Å; C172-M176 VanDerWaalsContact O-CB 3.29Å; C172-M176 WeakPolarHBondContact O-CB 3.2Å; C172-M176 PolarHBondContact O-N 3.28Å
173	Y	97.4	Very high	95.7	Very high	19 Å²	19	51.9 Å²	51.9	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-45.5	172.6	169.8	-107.7	0	0	0	111.7	H160 L162 L168 H169 R170 T171 M176 L177 A190 L191	H160-Y173 HydrophobicContact CB-CD1 4.47Å; H160-Y173 HydrophobicContact CB-CG 4.27Å; H160-Y173 AromaticContact CD2-CD1 3.64Å; H160-Y173 AromaticContact CD2-CD2 3.53Å; H160-Y173 AromaticContact CD2-CE1 3.7Å; H160-Y173 AromaticContact CD2-CE2 3.58Å; H160-Y173 AromaticContact CD2-CG 3.53Å; H160-Y173 AromaticContact CD2-CZ 3.64Å; H160-Y173 AromaticContact CE1-CE1 3.81Å; H160-Y173 AromaticContact CG-CD1 3.83Å; H160-Y173 AromaticContact CG-CG 3.9Å; H160-Y173 AromaticContact NE2-CD1 3.91Å; H160-Y173 AromaticContact NE2-CE1 3.47Å; H160-Y173 WeakPolarHBondContact NE2-CE1 3.34Å; H160-Y173 AromaticContact NE2-CE2 3.66Å; H160-Y173 AromaticContact NE2-CZ 3.3Å; H160-Y173 VanDerWaalsContact NE2-CZ 3.3Å; L162-Y173 HydrophobicContact CD2-CD2 3.65Å; L162-Y173 HydrophobicContact CD2-CE2 3.56Å; L168-Y173 HydrophobicContact CD1-CD2 4.26Å; H169-Y173 PolarHBondContact O-N 3.41Å; R170-Y173 WeakPolarHBondContact O-CB 3.39Å; R170-Y173 PolarHBondContact O-N 2.86Å; T171-Y173 VanDerWaalsContact C-N 3.31Å; T171-Y173 PolarHBondContact O-N 2.85Å; Y173-M176 HydrophobicContact CD2-CE 3.93Å; Y173-M176 HydrophobicContact CE2-CE 4.13Å; Y173-M176 WeakPolarHBondContact O-CB 3.31Å; Y173-M176 PolarHBondContact O-N 2.95Å; Y173-L177 HydrophobicContact CD1-CD1 4.33Å; Y173-L177 HydrophobicContact CD2-CG 4.42Å; Y173-L177 HydrophobicContact CE1-CD1 3.67Å; Y173-L177 HydrophobicContact CE1-CG 4.43Å; Y173-L177 HydrophobicContact CE2-CD1 4.03Å; Y173-L177 HydrophobicContact CE2-CD2 4.16Å; Y173-L177 HydrophobicContact CE2-CG 4.07Å; Y173-L177 WeakPolarHBondContact O-CG 3.42Å; Y173-L177 PolarHBondContact O-N 3.45Å; Y173-A190 HydrophobicContact CE2-CB 4.23Å; Y173-A190 PolarHBondContact OH-O 3.46Å; Y173-L191 WeakPolarHBondContact OH-CD2 3.29Å
174	E	97.1	Very high	95.8	Very high	83 Å²	83	51.2 Å²	51.2	39%	0.388	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-40.2	178.6	-73	169.1	177.6	0	0	112.2	R170 T171 L177	R170-E174 IonicContact CZ-OE1 2.73Å; R170-E174 VanDerWaalsContact CZ-OE1 3.31Å; R170-E174 IonicContact NE-OE1 3.38Å; R170-E174 PolarHBondContact NE-OE1 3.48Å; R170-E174 IonicContact NH2-OE1 3.92Å; R170-E174 PolarHBondContact NH2-OE1 3.42Å; R170-E174 VanDerWaalsContact NH2-OE1 3.07Å; R170-E174 WeakPolarHBondContact O-CG 3.47Å; R170-E174 PolarHBondContact O-N 3.32Å; T171-E174 PolarHBondContact O-N 2.83Å; E174-L177 PolarHBondContact O-N 3.31Å
175	E	96.4	Very high	95.9	Very high	105 Å²	105	55.2 Å²	55.2	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-44.8	172.8	-67.8	-52.8	133.3	0	0	111.9	T171 L177 K178	T171-E175 WeakPolarHBondContact O-CG 3.41Å; T171-E175 PolarHBondContact O-N 3.3Å; E175-L177 VanDerWaalsContact C-N 3.25Å; E175-L177 PolarHBondContact O-N 2.85Å; E175-K178 WeakPolarHBondContact O-CB 3.48Å; E175-K178 PolarHBondContact O-N 3.38Å; E175-K178 VanDerWaalsContact O-N 3.07Å; E175-K178 IonicContact OE1-NZ 3.4Å; E175-K178 PolarHBondContact OE1-NZ 3Å; E175-K178 IonicContact OE2-NZ 2.68Å; E175-K178 PolarHBondContact OE2-NZ 2.9Å
176	M	96.5	Very high	96	Very high	23 Å²	23	57.5 Å²	57.5	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-55.1	-42.5	176.9	-178.7	-158	79.2	0	0	111.7	I147 L168 C172 Y173 K178 E179 G180 A190	I147-M176 HydrophobicContact CD1-CB 3.87Å; I147-M176 HydrophobicContact CD1-CG 4.36Å; L168-M176 HydrophobicContact CD1-CE 4.47Å; L168-M176 HydrophobicContact CD1-SD 3.65Å; C172-M176 VanDerWaalsContact O-CB 3.29Å; C172-M176 WeakPolarHBondContact O-CB 3.2Å; C172-M176 PolarHBondContact O-N 3.28Å; Y173-M176 HydrophobicContact CD2-CE 3.93Å; Y173-M176 HydrophobicContact CE2-CE 4.13Å; Y173-M176 WeakPolarHBondContact O-CB 3.31Å; Y173-M176 PolarHBondContact O-N 2.95Å; M176-K178 PolarHBondContact O-N 3.25Å; M176-E179 PolarHBondContact O-N 3.15Å; M176-E179 VanDerWaalsContact O-N 3.08Å; M176-G180 PolarHBondContact O-N 2.95Å; M176-A190 HydrophobicContact CE-CB 3.63Å
177	L	96.5	Very high	96	Very high	55 Å²	55	59.5 Å²	59.5	29%	0.288	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-18.7	-178.8	-72.6	-173.8	0	0	0	114.5	Y173 E174 E175 E179 G180 A190 L191	Y173-L177 HydrophobicContact CD1-CD1 4.33Å; Y173-L177 HydrophobicContact CD2-CG 4.42Å; Y173-L177 HydrophobicContact CE1-CD1 3.67Å; Y173-L177 HydrophobicContact CE1-CG 4.43Å; Y173-L177 HydrophobicContact CE2-CD1 4.03Å; Y173-L177 HydrophobicContact CE2-CD2 4.16Å; Y173-L177 HydrophobicContact CE2-CG 4.07Å; Y173-L177 WeakPolarHBondContact O-CG 3.42Å; Y173-L177 PolarHBondContact O-N 3.45Å; E174-L177 PolarHBondContact O-N 3.31Å; E175-L177 VanDerWaalsContact C-N 3.25Å; E175-L177 PolarHBondContact O-N 2.85Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-G180 WeakPolarHBondContact CA-O 3.5Å; L177-A190 HydrophobicContact CD2-CB 4.46Å; L177-L191 HydrophobicContact CD1-CD1 4.49Å; L177-L191 HydrophobicContact CD1-CD2 3.95Å; L177-L191 HydrophobicContact CD2-CD1 3.74Å; L177-L191 HydrophobicContact CD2-CD2 4.05Å; L177-L191 HydrophobicContact CD2-CG 3.76Å
178	K	96.1	Very high	96.1	Very high	137 Å²	137	61 Å²	61	60%	0.596	30%	0.303	S	S	*	.	H	α-helix	trans	-71.7	-32.1	173.5	-60.5	176.8	-169.5	166.8	0	111.8	E175 M176	E175-K178 WeakPolarHBondContact O-CB 3.48Å; E175-K178 PolarHBondContact O-N 3.38Å; E175-K178 VanDerWaalsContact O-N 3.07Å; E175-K178 IonicContact OE1-NZ 3.4Å; E175-K178 PolarHBondContact OE1-NZ 3Å; E175-K178 IonicContact OE2-NZ 2.68Å; E175-K178 PolarHBondContact OE2-NZ 2.9Å; M176-K178 PolarHBondContact O-N 3.25Å
179	E	93.5	Very high	96.2	Very high	178 Å²	178	61.2 Å²	61.2	83%	0.832	30%	0.304	S	S	*	.	H	α-helix	trans	-96	-28.9	-177.7	-60.5	-57.4	141	0	0	112.6	M176 L177	M176-E179 PolarHBondContact O-N 3.15Å; M176-E179 VanDerWaalsContact O-N 3.08Å; L177-E179 VanDerWaalsContact C-N 3.33Å
180	G	94.6	Very high	96.2	Very high	32 Å²	32	61.4 Å²	61.4	33%	0.33	31%	0.306	S	S	.	.			trans	-179.2	164.4	179.6	0	0	0	0	0	115.1	M176 L177	M176-G180 PolarHBondContact O-N 2.95Å; L177-G180 WeakPolarHBondContact CA-O 3.5Å
181	Y	96.2	Very high	96.2	Very high	42 Å²	42	60 Å²	60	17%	0.165	31%	0.306	C	S	.	.	S	Bend	trans	-92.4	5.1	-176	69.4	-88.4	0	0	0	113.5	S189 A190 M193 W197 N247	Y181-S189 WeakPolarHBondContact CE2-OG 3.27Å; Y181-A190 WeakPolarHBondContact O-CA 3.39Å; Y181-A190 WeakPolarHBondContact O-CB 3.35Å; Y181-A190 PolarHBondContact O-N 3.41Å; Y181-M193 HydrophobicContact CD1-CE 3.91Å; Y181-M193 HydrophobicContact CD2-CE 3.92Å; Y181-M193 HydrophobicContact CD2-CG 3.81Å; Y181-M193 HydrophobicContact CD2-SD 3.8Å; Y181-M193 HydrophobicContact CE1-CE 4.28Å; Y181-M193 HydrophobicContact CE2-CE 4.28Å; Y181-M193 HydrophobicContact CE2-CG 4.16Å; Y181-M193 HydrophobicContact CG-CE 3.73Å; Y181-M193 HydrophobicContact CG-CG 4.46Å; Y181-M193 HydrophobicContact CG-SD 3.85Å; Y181-W197 AromaticContact CE2-CH2 3.99Å; Y181-W197 HydrophobicContact CE2-CH2 3.99Å; Y181-W197 HydrophobicContact CE2-CZ2 4.35Å; Y181-W197 AromaticContact CZ-CH2 3.9Å; Y181-N247 HydrophobicContact CE2-CB 4.48Å
182	R	97.3	Very high	96.1	Very high	95 Å²	95	62.9 Å²	62.9	36%	0.358	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-106.4	142.4	-168.6	-63.5	-178.3	-172.7	161.1	-2	111.8	M187 N247	R182-M187 HydrophobicContact CB-CE 4.49Å; R182-M187 HydrophobicContact CB-SD 4.48Å; R182-M187 WeakPolarHBondContact CG-O 3.44Å; R182-N247 PolarHBondContact NE-OD1 2.94Å; R182-N247 VanDerWaalsContact NE-OD1 3.17Å
183	C	96.8	Very high	96.1	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.007	32%	0.32	C	S	.	.			trans	-59.7	130.5	171.4	177.4	0	0	0	0	110.5	L162 C164 H166 L185 M187 H188	L162-C183 HydrophobicContact CD1-CB 3.84Å; L162-C183 VanDerWaalsContact CD1-SG 3.6Å; C164-C183 VanDerWaalsContact SG-SG 3.6Å; H166-C183 PolarHBondContact ND1-SG 3.35Å; C183-L185 PolarHBondContact O-N 3.14Å; C183-L185 VanDerWaalsContact O-N 3.17Å; C183-M187 VanDerWaalsContact O-CA 3.26Å; C183-M187 WeakPolarHBondContact O-CA 3.47Å; C183-M187 PolarHBondContact O-N 3.23Å; C183-H188 WeakPolarHBondContact CB-O 3.43Å; C183-H188 PolarHBondContact N-O 2.6Å
184	P	95.1	Very high	96	Very high	63 Å²	63	65.3 Å²	65.3	41%	0.409	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.5	-177.8	28	-36.3	0	0	0	113.3	P146 I147 L168	P146-P184 HydrophobicContact CG-CG 4.05Å; I147-P184 HydrophobicContact CG1-CG 4.38Å; L168-P184 HydrophobicContact CD2-CG 4.19Å
185	L	94.2	Very high	96	Very high	87 Å²	87	70.4 Å²	70.4	46%	0.455	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-35.6	-177.4	-69	173.8	0	0	0	113.4	P146 H166 C183	P146-L185 HydrophobicContact CB-CD1 4.26Å; P146-L185 HydrophobicContact CB-CD2 3.81Å; P146-L185 HydrophobicContact CB-CG 4.01Å; P146-L185 HydrophobicContact CG-CD1 3.91Å; P146-L185 HydrophobicContact CG-CD2 4.32Å; P146-L185 HydrophobicContact CG-CG 3.97Å; H166-L185 HydrophobicContact CB-CD1 3.99Å; C183-L185 PolarHBondContact O-N 3.14Å; C183-L185 VanDerWaalsContact O-N 3.17Å
186	C	95.1	Very high	96.1	Very high	50 Å²	50	70.3 Å²	70.3	34%	0.338	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	6.7	-172.2	73.7	0	0	0	0	114.6	C164 H188	C164-C186 VanDerWaalsContact SG-SG 3.69Å; C186-H188 PolarHBondContact O-N 2.94Å
187	M	96.4	Very high	96.1	Very high	82 Å²	82	70.4 Å²	70.4	40%	0.404	34%	0.344	S	S	.	.			trans	63.8	0.1	176.7	-55.7	-60.3	-78.5	0	0	116.6	R182 C183 N223 N247	R182-M187 HydrophobicContact CB-CE 4.49Å; R182-M187 HydrophobicContact CB-SD 4.48Å; R182-M187 WeakPolarHBondContact CG-O 3.44Å; C183-M187 VanDerWaalsContact O-CA 3.26Å; C183-M187 WeakPolarHBondContact O-CA 3.47Å; C183-M187 PolarHBondContact O-N 3.23Å; M187-N223 HydrophobicContact CB-CB 4.22Å; M187-N247 PolarHBondContact O-ND2 2.93Å
188	H	97.2	Very high	96.1	Very high	39 Å²	39	75.2 Å²	75.2	18%	0.181	36%	0.359	C	S	.	.			trans	-59.9	142	174.6	-173.4	-64	0	0	0	110.8	C164 C183 C186 A190 N223 D224	C164-H188 HydrophobicContact CB-CB 3.63Å; C183-H188 WeakPolarHBondContact CB-O 3.43Å; C183-H188 PolarHBondContact N-O 2.6Å; C186-H188 PolarHBondContact O-N 2.94Å; H188-A190 PolarHBondContact O-N 3.13Å; H188-N223 WeakPolarHBondContact CA-O 3.48Å; H188-N223 WeakPolarHBondContact CB-O 3.35Å; H188-N223 PolarHBondContact CD2-O 2.68Å; H188-D224 PolarHBondContact CD2-O 2.84Å; H188-D224 VanDerWaalsContact CD2-O 3.23Å; H188-D224 IonicContact CG-OD1 3.94Å; H188-D224 IonicContact ND1-OD1 3.9Å; H188-D224 PolarHBondContact NE2-O 2.99Å; H188-D224 VanDerWaalsContact NE2-O 3.12Å
189	S	97.8	Very high	96.2	Very high	5 Å²	5	72.9 Å²	72.9	4%	0.035	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-57.2	124.6	177.1	-58.5	0	0	0	0	111.1	Y181 L191 D224 N247	Y181-S189 WeakPolarHBondContact CE2-OG 3.27Å; S189-L191 VanDerWaalsContact C-N 3.33Å; S189-D224 VanDerWaalsContact CB-OD1 3.3Å; S189-D224 WeakPolarHBondContact CB-OD1 3.21Å; S189-D224 PolarHBondContact N-OD1 3.48Å; S189-D224 VanDerWaalsContact OG-CG 3.28Å; S189-D224 PolarHBondContact OG-OD1 2.83Å; S189-D224 PolarHBondContact OG-OD2 2.64Å; S189-N247 PolarHBondContact N-ND2 2.9Å; S189-N247 PolarHBondContact OG-ND2 3.35Å
190	A	96.9	Very high	96.4	Very high	5 Å²	5	65.1 Å²	65.1	4%	0.041	31%	0.314	C	S	.	.	S	Bend	trans	-85.8	-8.1	178.6	0	0	0	0	0	112.9	L162 Y173 M176 L177 Y181 H188	L162-A190 HydrophobicContact CD2-CB 3.78Å; Y173-A190 HydrophobicContact CE2-CB 4.23Å; Y173-A190 PolarHBondContact OH-O 3.46Å; M176-A190 HydrophobicContact CE-CB 3.63Å; L177-A190 HydrophobicContact CD2-CB 4.46Å; Y181-A190 WeakPolarHBondContact O-CA 3.39Å; Y181-A190 WeakPolarHBondContact O-CB 3.35Å; Y181-A190 PolarHBondContact O-N 3.41Å; H188-A190 PolarHBondContact O-N 3.13Å
191	L	95.3	Very high	96.5	Very high	74 Å²	74	66 Å²	66	39%	0.387	31%	0.311	S	S	.	.	S	Bend	trans	-128.9	162.6	-178.8	-63.6	176	0	0	0	110.2	Y173 L177 S189 M193	Y173-L191 WeakPolarHBondContact OH-CD2 3.29Å; L177-L191 HydrophobicContact CD1-CD1 4.49Å; L177-L191 HydrophobicContact CD1-CD2 3.95Å; L177-L191 HydrophobicContact CD2-CD1 3.74Å; L177-L191 HydrophobicContact CD2-CD2 4.05Å; L177-L191 HydrophobicContact CD2-CG 3.76Å; S189-L191 VanDerWaalsContact C-N 3.33Å; L191-M193 HydrophobicContact CB-SD 3.93Å; L191-M193 PolarHBondContact O-N 3.15Å
192	D	95	Very high	96.6	Very high	134 Å²	134	68.7 Å²	68.7	72%	0.717	33%	0.328	S	S	*	.			trans	-72.6	106.1	165	-179.2	3.5	0	0	0	109.6	T194	D192-T194 WeakPolarHBondContact OD1-CB 3.48Å; D192-T194 PolarHBondContact OD1-N 3.08Å; D192-T194 PolarHBondContact OD1-OG1 3.19Å
193	M	96.8	Very high	96.6	Very high	22 Å²	22	68.6 Å²	68.6	11%	0.108	33%	0.332	C	S	.	.			trans	-93.7	6.2	-177.5	-60.5	-55.3	-68.2	0	0	112.9	Y181 L191 R195 Y196 W197	Y181-M193 HydrophobicContact CD1-CE 3.91Å; Y181-M193 HydrophobicContact CD2-CE 3.92Å; Y181-M193 HydrophobicContact CD2-CG 3.81Å; Y181-M193 HydrophobicContact CD2-SD 3.8Å; Y181-M193 HydrophobicContact CE1-CE 4.28Å; Y181-M193 HydrophobicContact CE2-CE 4.28Å; Y181-M193 HydrophobicContact CE2-CG 4.16Å; Y181-M193 HydrophobicContact CG-CE 3.73Å; Y181-M193 HydrophobicContact CG-CG 4.46Å; Y181-M193 HydrophobicContact CG-SD 3.85Å; L191-M193 HydrophobicContact CB-SD 3.93Å; L191-M193 PolarHBondContact O-N 3.15Å; M193-R195 VanDerWaalsContact C-N 3.27Å; M193-R195 PolarHBondContact O-N 3.24Å; M193-R195 VanDerWaalsContact O-N 3.14Å; M193-Y196 HydrophobicContact CE-CD1 3.48Å; M193-Y196 VanDerWaalsContact CE-CD1 3.48Å; M193-Y196 HydrophobicContact CE-CE1 4.26Å; M193-Y196 HydrophobicContact CE-CG 3.84Å; M193-Y196 WeakPolarHBondContact O-CA 3.18Å; M193-Y196 WeakPolarHBondContact O-CB 3.19Å; M193-Y196 PolarHBondContact O-N 3.16Å; M193-W197 HydrophobicContact CB-CD2 3.95Å; M193-W197 HydrophobicContact CB-CG 4.41Å; M193-W197 HydrophobicContact CB-CH2 4.17Å; M193-W197 HydrophobicContact CB-CZ2 3.4Å; M193-W197 VanDerWaalsContact CB-CZ2 3.4Å; M193-W197 HydrophobicContact CG-CH2 4.41Å; M193-W197 HydrophobicContact CG-CZ2 3.84Å; M193-W197 VanDerWaalsContact O-CG 3.28Å; M193-W197 PolarHBondContact O-N 2.94Å
194	T	96.2	Very high	96.6	Very high	60 Å²	60	70.1 Å²	70.1	37%	0.368	34%	0.341	S	S	.	.	H	α-helix	trans	-52	-42.9	-174	-58.9	0	0	0	0	112.9	D192 R198	D192-T194 WeakPolarHBondContact OD1-CB 3.48Å; D192-T194 PolarHBondContact OD1-N 3.08Å; D192-T194 PolarHBondContact OD1-OG1 3.19Å; T194-R198 PolarHBondContact O-N 2.85Å
195	R	97.1	Very high	96.6	Very high	190 Å²	190	71.1 Å²	71.1	72%	0.717	36%	0.355	S	S	*	.	H	α-helix	trans	-66.8	-40.8	178.3	-175.4	-180	177.7	-170.8	-0.6	112.1	M193 R198 Q199	M193-R195 VanDerWaalsContact C-N 3.27Å; M193-R195 PolarHBondContact O-N 3.24Å; M193-R195 VanDerWaalsContact O-N 3.14Å; R195-R198 PolarHBondContact O-N 2.88Å; R195-Q199 PolarHBondContact O-N 3.07Å
196	Y	96.8	Very high	96.7	Very high	103 Å²	103	74.4 Å²	74.4	40%	0.404	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-38.9	179.4	-175	-114	0	0	0	111.5	M193 R198 Q199 L200	M193-Y196 HydrophobicContact CE-CD1 3.48Å; M193-Y196 VanDerWaalsContact CE-CD1 3.48Å; M193-Y196 HydrophobicContact CE-CE1 4.26Å; M193-Y196 HydrophobicContact CE-CG 3.84Å; M193-Y196 WeakPolarHBondContact O-CA 3.18Å; M193-Y196 WeakPolarHBondContact O-CB 3.19Å; M193-Y196 PolarHBondContact O-N 3.16Å; Y196-R198 VanDerWaalsContact C-N 3.33Å; Y196-R198 PolarHBondContact O-N 3.32Å; Y196-Q199 WeakPolarHBondContact O-CB 3.46Å; Y196-Q199 PolarHBondContact O-N 3.18Å; Y196-Q199 VanDerWaalsContact O-N 3.15Å; Y196-L200 HydrophobicContact CD1-CD1 4.08Å; Y196-L200 HydrophobicContact CE1-CD1 3.63Å; Y196-L200 HydrophobicContact CE1-CG 4.36Å; Y196-L200 PolarHBondContact O-N 2.8Å
197	W	97.6	Very high	96.8	Very high	24 Å²	24	74.8 Å²	74.8	9%	0.091	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-40.2	173.2	-56	150.9	0	0	0	112.9	Y181 M193 Q199 L200 D201 S245 Y246 N247	Y181-W197 AromaticContact CE2-CH2 3.99Å; Y181-W197 HydrophobicContact CE2-CH2 3.99Å; Y181-W197 HydrophobicContact CE2-CZ2 4.35Å; Y181-W197 AromaticContact CZ-CH2 3.9Å; M193-W197 HydrophobicContact CB-CD2 3.95Å; M193-W197 HydrophobicContact CB-CG 4.41Å; M193-W197 HydrophobicContact CB-CH2 4.17Å; M193-W197 HydrophobicContact CB-CZ2 3.4Å; M193-W197 VanDerWaalsContact CB-CZ2 3.4Å; M193-W197 HydrophobicContact CG-CH2 4.41Å; M193-W197 HydrophobicContact CG-CZ2 3.84Å; M193-W197 VanDerWaalsContact O-CG 3.28Å; M193-W197 PolarHBondContact O-N 2.94Å; W197-Q199 VanDerWaalsContact C-N 3.33Å; W197-Q199 PolarHBondContact O-N 2.89Å; W197-L200 HydrophobicContact CE3-CD1 3.82Å; W197-L200 HydrophobicContact CZ3-CD1 3.89Å; W197-L200 PolarHBondContact O-N 3.41Å; W197-D201 PolarHBondContact O-N 2.99Å; W197-S245 VanDerWaalsContact CZ2-OG 3.3Å; W197-S245 WeakPolarHBondContact CZ2-OG 3.3Å; W197-Y246 HydrophobicContact CB-CD2 4.23Å; W197-Y246 HydrophobicContact CD2-CD2 4.43Å; W197-Y246 HydrophobicContact CE3-CD2 4.04Å; W197-Y246 HydrophobicContact CE3-CG 4.26Å; W197-N247 HydrophobicContact CH2-CB 3.96Å; W197-N247 HydrophobicContact CZ2-CB 3.94Å
198	R	97.1	Very high	96.7	Very high	157 Å²	157	76.3 Å²	76.3	59%	0.592	39%	0.385	S	S	*	.	H	α-helix	trans	-64.1	-36.9	174.3	-68.4	-178.8	-165.9	131.2	2.6	112.8	T194 R195 Y196 L200 D201 D202	T194-R198 PolarHBondContact O-N 2.85Å; R195-R198 PolarHBondContact O-N 2.88Å; Y196-R198 VanDerWaalsContact C-N 3.33Å; Y196-R198 PolarHBondContact O-N 3.32Å; R198-L200 VanDerWaalsContact C-N 3.34Å; R198-D201 WeakPolarHBondContact O-CB 3.33Å; R198-D201 PolarHBondContact O-N 3.07Å; R198-D202 PolarHBondContact O-N 3.23Å
199	Q	97.6	Very high	96.6	Very high	88 Å²	88	75.8 Å²	75.8	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-65.3	-41.1	174.8	-68.2	176.7	-50.9	0	0	111.1	R195 Y196 W197 D201 D202 E203	R195-Q199 PolarHBondContact O-N 3.07Å; Y196-Q199 WeakPolarHBondContact O-CB 3.46Å; Y196-Q199 PolarHBondContact O-N 3.18Å; Y196-Q199 VanDerWaalsContact O-N 3.15Å; W197-Q199 VanDerWaalsContact C-N 3.33Å; W197-Q199 PolarHBondContact O-N 2.89Å; Q199-D201 VanDerWaalsContact C-N 3.33Å; Q199-D201 PolarHBondContact O-N 3.31Å; Q199-D202 PolarHBondContact O-N 3.35Å; Q199-E203 WeakPolarHBondContact O-CG 3.4Å; Q199-E203 PolarHBondContact O-N 2.86Å
200	L	97.4	Very high	96.4	Very high	14 Å²	14	79 Å²	79	7%	0.073	40%	0.403	C	S	.	.	H	α-helix	trans	-65.4	-34.4	174	-78	172.6	0	0	0	112.8	Y196 W197 R198 D202 E203 V204 Y246	Y196-L200 HydrophobicContact CD1-CD1 4.08Å; Y196-L200 HydrophobicContact CE1-CD1 3.63Å; Y196-L200 HydrophobicContact CE1-CG 4.36Å; Y196-L200 PolarHBondContact O-N 2.8Å; W197-L200 HydrophobicContact CE3-CD1 3.82Å; W197-L200 HydrophobicContact CZ3-CD1 3.89Å; W197-L200 PolarHBondContact O-N 3.41Å; R198-L200 VanDerWaalsContact C-N 3.34Å; L200-D202 VanDerWaalsContact C-N 3.32Å; L200-D202 PolarHBondContact O-N 3.11Å; L200-E203 PolarHBondContact O-N 3.43Å; L200-V204 VanDerWaalsContact O-CB 3.27Å; L200-V204 WeakPolarHBondContact O-CB 3.41Å; L200-V204 WeakPolarHBondContact O-CG2 3.49Å; L200-V204 PolarHBondContact O-N 3.43Å; L200-Y246 HydrophobicContact CB-CD2 3.98Å; L200-Y246 HydrophobicContact CB-CE1 4.49Å; L200-Y246 HydrophobicContact CB-CE2 3.92Å; L200-Y246 HydrophobicContact CB-CG 4.3Å; L200-Y246 HydrophobicContact CD1-CD2 4.3Å; L200-Y246 HydrophobicContact CD1-CG 4.04Å
201	D	97.4	Very high	96.2	Very high	50 Å²	50	83.1 Å²	83.1	27%	0.267	43%	0.432	S	S	.	.	H	α-helix	trans	-57.2	-47.1	170.9	-75.4	-45.4	0	0	0	111	W197 R198 Q199 V204 A205 K239 Y246	W197-D201 PolarHBondContact O-N 2.99Å; R198-D201 WeakPolarHBondContact O-CB 3.33Å; R198-D201 PolarHBondContact O-N 3.07Å; Q199-D201 VanDerWaalsContact C-N 3.33Å; Q199-D201 PolarHBondContact O-N 3.31Å; D201-V204 PolarHBondContact O-N 2.53Å; D201-A205 WeakPolarHBondContact O-CB 3.26Å; D201-A205 PolarHBondContact O-N 2.8Å; D201-K239 WeakPolarHBondContact OD1-CD 3.3Å; D201-K239 WeakPolarHBondContact OD1-CE 3.3Å; D201-K239 IonicContact OD1-NZ 2.69Å; D201-K239 PolarHBondContact OD1-NZ 2.81Å; D201-K239 IonicContact OD2-NZ 2.81Å; D201-K239 PolarHBondContact OD2-NZ 3.12Å; D201-Y246 PolarHBondContact OD1-OH 3.15Å
202	D	97.5	Very high	96	Very high	99 Å²	99	87 Å²	87	53%	0.529	45%	0.448	S	S	.	.	H	α-helix	trans	-64.8	-44.1	179.2	-66.9	-30.2	0	0	0	111.9	R198 Q199 L200 A205 Q206	R198-D202 PolarHBondContact O-N 3.23Å; Q199-D202 PolarHBondContact O-N 3.35Å; L200-D202 VanDerWaalsContact C-N 3.32Å; L200-D202 PolarHBondContact O-N 3.11Å; D202-A205 PolarHBondContact O-N 2.88Å; D202-Q206 WeakPolarHBondContact O-CB 3.25Å; D202-Q206 VanDerWaalsContact O-CG 3.28Å; D202-Q206 WeakPolarHBondContact O-CG 3.5Å; D202-Q206 PolarHBondContact O-N 3.15Å
203	E	97.7	Very high	95.9	Very high	93 Å²	93	84.6 Å²	84.6	44%	0.435	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-39.3	178.7	-71.2	177.9	-158.2	0	0	112.4	Q199 L200 Q206 T207 L236	Q199-E203 WeakPolarHBondContact O-CG 3.4Å; Q199-E203 PolarHBondContact O-N 2.86Å; L200-E203 PolarHBondContact O-N 3.43Å; E203-Q206 PolarHBondContact O-N 3.05Å; E203-T207 WeakPolarHBondContact O-CB 3.28Å; E203-T207 PolarHBondContact O-N 3.32Å; E203-T207 VanDerWaalsContact O-N 3.13Å; E203-T207 PolarHBondContact O-OG1 3.21Å; E203-L236 HydrophobicContact CB-CD1 3.85Å
204	V	96.5	Very high	95.5	Very high	34 Å²	34	89 Å²	89	21%	0.206	45%	0.45	C	S	.	.	H	α-helix	trans	-62.5	-44.5	174.1	165.7	0	0	0	0	110.6	L200 D201 Q206 T207 H234 L236 Y246	L200-V204 VanDerWaalsContact O-CB 3.27Å; L200-V204 WeakPolarHBondContact O-CB 3.41Å; L200-V204 WeakPolarHBondContact O-CG2 3.49Å; L200-V204 PolarHBondContact O-N 3.43Å; D201-V204 PolarHBondContact O-N 2.53Å; V204-Q206 VanDerWaalsContact C-N 3.27Å; V204-Q206 PolarHBondContact O-N 3.36Å; V204-T207 PolarHBondContact O-N 3.44Å; V204-H234 PolarHBondContact O-NE2 2.9Å; V204-L236 HydrophobicContact CG2-CB 4.14Å; V204-Y246 HydrophobicContact CG2-CE1 4.08Å
205	A	95.5	Very high	95.3	Very high	83 Å²	83	91.3 Å²	91.3	69%	0.686	46%	0.46	S	S	*	.	H	α-helix	trans	-64.7	-31.7	177.7	0	0	0	0	0	112.9	D201 D202	D201-A205 WeakPolarHBondContact O-CB 3.26Å; D201-A205 PolarHBondContact O-N 2.8Å; D202-A205 PolarHBondContact O-N 2.88Å
206	Q	96.8	Very high	95.1	Very high	156 Å²	156	82.9 Å²	82.9	73%	0.729	43%	0.429	S	S	*	.	H	α-helix	trans	-85.1	-6.5	179.5	-69.2	175.9	31.3	0	0	114.1	D202 E203 V204 P208	D202-Q206 WeakPolarHBondContact O-CB 3.25Å; D202-Q206 VanDerWaalsContact O-CG 3.28Å; D202-Q206 WeakPolarHBondContact O-CG 3.5Å; D202-Q206 PolarHBondContact O-N 3.15Å; E203-Q206 PolarHBondContact O-N 3.05Å; V204-Q206 VanDerWaalsContact C-N 3.27Å; V204-Q206 PolarHBondContact O-N 3.36Å; Q206-P208 WeakPolarHBondContact O-CD 3.39Å
207	T	95.7	Very high	95	Very high	58 Å²	58	80.1 Å²	80.1	36%	0.356	42%	0.423	S	S	.	.	S	Bend	trans	-121.9	81.4	-175.6	-50.9	0	0	0	0	110.8	E203 V204 M209 H234 L236	E203-T207 WeakPolarHBondContact O-CB 3.28Å; E203-T207 PolarHBondContact O-N 3.32Å; E203-T207 VanDerWaalsContact O-N 3.13Å; E203-T207 PolarHBondContact O-OG1 3.21Å; V204-T207 PolarHBondContact O-N 3.44Å; T207-M209 PolarHBondContact O-N 2.98Å; T207-H234 PolarHBondContact O-NE2 3.33Å; T207-L236 HydrophobicContact CG2-CD1 4.41Å
208	P	94	Very high	94.9	Very high	114 Å²	114	79 Å²	79	74%	0.74	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-57.7	135.4	178.8	-20.4	30.6	0	0	0	111.8	Q206	Q206-P208 WeakPolarHBondContact O-CD 3.39Å
209	M	95.4	Very high	94.8	Very high	28 Å²	28	73 Å²	73	14%	0.138	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-67.4	144.8	174.5	-73.1	-62.4	-67.6	0	0	111.1	T207 Y213 F233 H234 I235	T207-M209 PolarHBondContact O-N 2.98Å; M209-Y213 HydrophobicContact CE-CD2 4.27Å; M209-Y213 HydrophobicContact CE-CG 4.12Å; M209-F233 HydrophobicContact CE-CD1 3.59Å; M209-F233 HydrophobicContact CE-CE1 3.6Å; M209-H234 HydrophobicContact SD-CB 4.4Å; M209-I235 HydrophobicContact SD-CB 4.27Å; M209-I235 HydrophobicContact SD-CG2 4.12Å; M209-I235 PolarHBondContact SD-N 3.17Å
210	P	94.2	Very high	94.8	Very high	73 Å²	73	68.8 Å²	68.8	47%	0.474	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-53.6	148.4	169.2	-24.4	33.6	0	0	0	111.2	E212 Y213 Q214	P210-E212 PolarHBondContact O-N 3.31Å; P210-Y213 HydrophobicContact CB-CD2 4.23Å; P210-Y213 HydrophobicContact CG-CD2 4.31Å; P210-Y213 PolarHBondContact O-N 3.49Å; P210-Q214 PolarHBondContact O-N 3.03Å
211	S	92.8	Very high	94.8	Very high	91 Å²	91	70.8 Å²	70.8	64%	0.636	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.6	-175.6	50.1	0	0	0	0	113.6	Y213 Q214	S211-Y213 PolarHBondContact O-N 3.49Å; S211-Q214 PolarHBondContact O-N 3.48Å
212	E	91.8	Very high	94.8	Very high	155 Å²	155	68.4 Å²	68.4	72%	0.724	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.7	177.2	-63.5	170.3	-122.7	0	0	113.6	P210	P210-E212 PolarHBondContact O-N 3.31Å
213	Y	92.1	Very high	94.8	Very high	85 Å²	85	65 Å²	65	33%	0.333	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-7.3	-177.5	-60.2	-61.6	0	0	0	113.6	M209 P210 S211 N215 M216 F233	M209-Y213 HydrophobicContact CE-CD2 4.27Å; M209-Y213 HydrophobicContact CE-CG 4.12Å; P210-Y213 HydrophobicContact CB-CD2 4.23Å; P210-Y213 HydrophobicContact CG-CD2 4.31Å; P210-Y213 PolarHBondContact O-N 3.49Å; S211-Y213 PolarHBondContact O-N 3.49Å; Y213-N215 PolarHBondContact O-N 3.47Å; Y213-N215 VanDerWaalsContact O-N 3.15Å; Y213-M216 HydrophobicContact CD1-SD 3.76Å; Y213-M216 HydrophobicContact CE1-SD 4.3Å; Y213-M216 VanDerWaalsContact O-CB 3.31Å; Y213-M216 WeakPolarHBondContact O-CB 3.5Å; Y213-M216 PolarHBondContact O-N 3.24Å; Y213-F233 HydrophobicContact CD1-CD1 4.4Å; Y213-F233 HydrophobicContact CD1-CE1 4.42Å; Y213-F233 HydrophobicContact CG-CD1 4.44Å; Y213-F233 HydrophobicContact CG-CE1 4.44Å
214	Q	89.2	Confident	94.8	Very high	115 Å²	115	62 Å²	62	54%	0.537	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.7	-172.9	-170.7	175.2	10.7	0	0	113.2	P210 S211	P210-Q214 PolarHBondContact O-N 3.03Å; S211-Q214 PolarHBondContact O-N 3.48Å
215	N	90.3	Very high	94.8	Very high	108 Å²	108	62.6 Å²	62.6	58%	0.578	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	10.2	178.6	-62	-28.5	0	0	0	113.1	Y213	Y213-N215 PolarHBondContact O-N 3.47Å; Y213-N215 VanDerWaalsContact O-N 3.15Å
216	M	93	Very high	94.7	Very high	13 Å²	13	64.2 Å²	64.2	6%	0.064	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.9	-179.8	-179.1	170.5	152.3	0	0	110	Y213 V218 F233 R254	Y213-M216 HydrophobicContact CD1-SD 3.76Å; Y213-M216 HydrophobicContact CE1-SD 4.3Å; Y213-M216 VanDerWaalsContact O-CB 3.31Å; Y213-M216 WeakPolarHBondContact O-CB 3.5Å; Y213-M216 PolarHBondContact O-N 3.24Å; M216-V218 HydrophobicContact CE-CG1 3.58Å; M216-F233 HydrophobicContact CB-CB 4.21Å; M216-F233 HydrophobicContact CE-CB 4.22Å; M216-F233 HydrophobicContact CE-CD1 4.35Å; M216-F233 HydrophobicContact CE-CD2 4.28Å; M216-F233 HydrophobicContact CE-CG 4.02Å; M216-F233 HydrophobicContact CG-CB 3.99Å; M216-F233 PolarHBondContact O-N 2.83Å; M216-F233 HydrophobicContact SD-CB 4.43Å; M216-F233 HydrophobicContact SD-CD1 4.26Å; M216-F233 HydrophobicContact SD-CG 4.37Å; M216-R254 HydrophobicContact CE-CB 3.75Å; M216-R254 HydrophobicContact CE-CG 3.43Å; M216-R254 VanDerWaalsContact CE-CG 3.43Å; M216-R254 HydrophobicContact SD-CG 4.5Å
217	T	94.9	Very high	94.7	Very high	45 Å²	45	57.4 Å²	57.4	28%	0.276	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.5	173.3	62.2	0	0	0	0	111.1	V231 R255	T217-V231 CarbonylContact C-O 3.55Å; T217-V231 VanDerWaalsContact CA-O 3.26Å; T217-V231 WeakPolarHBondContact CA-O 3.14Å; T217-V231 WeakPolarHBondContact CB-O 3.34Å; T217-R255 PolarHBondContact N-O 2.77Å; T217-R255 VanDerWaalsContact N-O 3.16Å; T217-R255 PolarHBondContact O-N 2.8Å; T217-R255 VanDerWaalsContact O-O 3.09Å
218	V	95.1	Very high	94.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.3	-178.1	-72	0	0	0	0	109.9	M216 I220 T230 V231 F233 M238 Q250	M216-V218 HydrophobicContact CE-CG1 3.58Å; V218-I220 HydrophobicContact CG2-CG2 4.21Å; V218-T230 WeakPolarHBondContact O-CA 3.4Å; V218-V231 HydrophobicContact CG2-CG2 4.15Å; V218-V231 PolarHBondContact N-O 3.31Å; V218-V231 PolarHBondContact O-N 2.75Å; V218-F233 HydrophobicContact CG1-CB 4.11Å; V218-F233 HydrophobicContact CG1-CD2 4.14Å; V218-F233 HydrophobicContact CG1-CG 4.47Å; V218-F233 HydrophobicContact CG2-CB 4.09Å; V218-F233 HydrophobicContact CG2-CD2 4.31Å; V218-M238 HydrophobicContact CG2-CG 4.22Å; V218-M238 HydrophobicContact CG2-SD 3.5Å; V218-M238 VanDerWaalsContact CG2-SD 3.5Å; V218-Q250 HydrophobicContact CB-CG 4.26Å; V218-Q250 HydrophobicContact CG1-CG 4.46Å
219	D	96.3	Very high	94.8	Very high	30 Å²	30	58.5 Å²	58.5	16%	0.16	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.4	168.9	-65.5	-32.9	0	0	0	108.2	T230 Q250 A251 R255	D219-T230 WeakPolarHBondContact OD1-CB 3.33Å; D219-T230 WeakPolarHBondContact OD1-CG2 3.27Å; D219-T230 PolarHBondContact OD1-OG1 2.88Å; D219-Q250 CarbonylContact O-C 3.54Å; D219-A251 PolarHBondContact O-N 3.38Å; D219-R255 IonicContact OD1-NE 3.84Å; D219-R255 IonicContact OD1-NH2 3.98Å; D219-R255 IonicContact OD2-CZ 3.22Å; D219-R255 VanDerWaalsContact OD2-CZ 3.22Å; D219-R255 IonicContact OD2-NE 2.95Å; D219-R255 PolarHBondContact OD2-NE 3.27Å; D219-R255 IonicContact OD2-NH2 2.75Å; D219-R255 PolarHBondContact OD2-NH2 3.13Å
220	I	97.3	Very high	94.8	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.4	179.1	57.4	157.8	0	0	0	111.7	V218 R228 S229 V231 M238 C240 T248 A249	V218-I220 HydrophobicContact CG2-CG2 4.21Å; I220-R228 VanDerWaalsContact O-CA 3.25Å; I220-R228 WeakPolarHBondContact O-CA 3.11Å; I220-S229 WeakPolarHBondContact CD1-OG 3.27Å; I220-S229 WeakPolarHBondContact CG1-O 3.08Å; I220-S229 WeakPolarHBondContact CG1-OG 3.46Å; I220-S229 PolarHBondContact N-O 2.9Å; I220-S229 PolarHBondContact O-N 3.06Å; I220-S229 VanDerWaalsContact O-N 3.16Å; I220-V231 HydrophobicContact CD1-CG1 3.92Å; I220-V231 HydrophobicContact CD1-CG2 3.91Å; I220-V231 HydrophobicContact CG1-CG1 4.12Å; I220-V231 HydrophobicContact CG1-CG2 4Å; I220-V231 HydrophobicContact CG2-CG2 4.02Å; I220-M238 HydrophobicContact CD1-CB 4.39Å; I220-M238 HydrophobicContact CG2-CB 3.85Å; I220-M238 HydrophobicContact CG2-CE 3.93Å; I220-M238 HydrophobicContact CG2-CG 4.27Å; I220-M238 HydrophobicContact CG2-SD 3.53Å; I220-M238 VanDerWaalsContact CG2-SD 3.53Å; I220-C240 HydrophobicContact CD1-CB 4.48Å; I220-T248 HydrophobicContact CD1-CG2 3.72Å; I220-A249 CarbonylContact C-O 3.52Å; I220-A249 VanDerWaalsContact CA-O 3.27Å; I220-A249 WeakPolarHBondContact CA-O 3.25Å
221	L	97.1	Very high	94.9	Very high	55 Å²	55	57 Å²	57	29%	0.288	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.3	165.2	177	68.2	0	0	0	108.3	N226 R228 T248 A249 A251	L221-N226 WeakPolarHBondContact CD1-O 3.11Å; L221-R228 HydrophobicContact CD1-CG 4.01Å; L221-T248 CarbonylContact O-C 3.58Å; L221-T248 VanDerWaalsContact O-CA 3.3Å; L221-T248 WeakPolarHBondContact O-CA 3.4Å; L221-A249 PolarHBondContact N-O 3.16Å; L221-A249 PolarHBondContact O-N 2.61Å; L221-A251 HydrophobicContact CB-CB 4.03Å
222	C	97.8	Very high	94.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.7	177	-177.5	0	0	0	0	111.5	D224 N226 G227 C240 T248	C222-D224 VanDerWaalsContact C-N 3.26Å; C222-D224 PolarHBondContact O-N 2.97Å; C222-D224 PolarHBondContact SG-N 2.9Å; C222-D224 VanDerWaalsContact SG-N 3.43Å; C222-N226 WeakPolarHBondContact O-CA 3.5Å; C222-N226 PolarHBondContact O-N 2.92Å; C222-G227 PolarHBondContact N-O 3.44Å; C222-C240 HydrophobicContact CB-CB 3.87Å; C222-C240 VanDerWaalsContact CB-SG 3.58Å; C222-T248 HydrophobicContact CB-CG2 4.04Å
223	N	97.3	Very high	95.1	Very high	29 Å²	29	54.6 Å²	54.6	16%	0.155	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.8	178.4	-61.3	-42.9	0	0	0	113.1	M187 H188 N247	M187-N223 HydrophobicContact CB-CB 4.22Å; H188-N223 WeakPolarHBondContact CA-O 3.48Å; H188-N223 WeakPolarHBondContact CB-O 3.35Å; H188-N223 PolarHBondContact CD2-O 2.68Å; N223-N247 PolarHBondContact N-O 2.91Å; N223-N247 PolarHBondContact ND2-OD1 3.18Å
224	D	97.2	Very high	95.2	Very high	29 Å²	29	51.5 Å²	51.5	16%	0.155	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-48.2	-179.9	-65.2	-20	0	0	0	111.6	H188 S189 C222 S245 N247	H188-D224 PolarHBondContact CD2-O 2.84Å; H188-D224 VanDerWaalsContact CD2-O 3.23Å; H188-D224 IonicContact CG-OD1 3.94Å; H188-D224 IonicContact ND1-OD1 3.9Å; H188-D224 PolarHBondContact NE2-O 2.99Å; H188-D224 VanDerWaalsContact NE2-O 3.12Å; S189-D224 VanDerWaalsContact CB-OD1 3.3Å; S189-D224 WeakPolarHBondContact CB-OD1 3.21Å; S189-D224 PolarHBondContact N-OD1 3.48Å; S189-D224 VanDerWaalsContact OG-CG 3.28Å; S189-D224 PolarHBondContact OG-OD1 2.83Å; S189-D224 PolarHBondContact OG-OD2 2.64Å; C222-D224 VanDerWaalsContact C-N 3.26Å; C222-D224 PolarHBondContact O-N 2.97Å; C222-D224 PolarHBondContact SG-N 2.9Å; C222-D224 VanDerWaalsContact SG-N 3.43Å; D224-S245 VanDerWaalsContact OD2-CB 3.26Å; D224-S245 WeakPolarHBondContact OD2-CB 3.48Å; D224-S245 PolarHBondContact OD2-OG 3.47Å; D224-N247 PolarHBondContact OD1-ND2 3.16Å; D224-N247 WeakPolarHBondContact OD2-CB 3.49Å
225	C	96.1	Very high	95.5	Very high	47 Å²	47	52.1 Å²	52.1	32%	0.318	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-5.7	179.9	74.8	0	0	0	0	115	G227 C240 C243	C225-G227 PolarHBondContact O-N 2.89Å; C225-G227 PolarHBondContact SG-N 2.98Å; C225-C240 VanDerWaalsContact SG-SG 3.61Å; C225-C243 HydrophobicContact CB-CB 3.86Å; C225-C243 VanDerWaalsContact SG-SG 3.6Å
226	N	95	Very high	95.7	Very high	116 Å²	116	50.3 Å²	50.3	62%	0.62	26%	0.258	S	S	*	.			trans	58.3	10	-171.2	-61.4	-38.3	0	0	0	115.1	L221 C222	L221-N226 WeakPolarHBondContact CD1-O 3.11Å; C222-N226 WeakPolarHBondContact O-CA 3.5Å; C222-N226 PolarHBondContact O-N 2.92Å
227	G	96.1	Very high	95.8	Very high	14 Å²	14	50.6 Å²	50.6	14%	0.144	26%	0.264	C	S	.	.			trans	-77.4	151.7	178.7	0	0	0	0	0	112.5	C222 C225	C222-G227 PolarHBondContact N-O 3.44Å; C225-G227 PolarHBondContact O-N 2.89Å; C225-G227 PolarHBondContact SG-N 2.98Å
228	R	96.6	Very high	95.9	Very high	179 Å²	179	49.6 Å²	49.6	68%	0.675	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.2	171	-68.6	177.6	179.2	-104	0.1	110.3	I220 L221	I220-R228 VanDerWaalsContact O-CA 3.25Å; I220-R228 WeakPolarHBondContact O-CA 3.11Å; L221-R228 HydrophobicContact CD1-CG 4.01Å
229	S	95.2	Very high	96	Very high	16 Å²	16	51.9 Å²	51.9	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.2	174.4	55.1	0	0	0	0	111.1	I220	I220-S229 WeakPolarHBondContact CD1-OG 3.27Å; I220-S229 WeakPolarHBondContact CG1-O 3.08Å; I220-S229 WeakPolarHBondContact CG1-OG 3.46Å; I220-S229 PolarHBondContact N-O 2.9Å; I220-S229 PolarHBondContact O-N 3.06Å; I220-S229 VanDerWaalsContact O-N 3.16Å
230	T	95.9	Very high	96	Very high	61 Å²	61	50.4 Å²	50.4	37%	0.374	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.4	168.8	-48.3	0	0	0	0	109.4	V218 D219 K241	V218-T230 WeakPolarHBondContact O-CA 3.4Å; D219-T230 WeakPolarHBondContact OD1-CB 3.33Å; D219-T230 WeakPolarHBondContact OD1-CG2 3.27Å; D219-T230 PolarHBondContact OD1-OG1 2.88Å; T230-K241 VanDerWaalsContact O-CE 3.3Å; T230-K241 WeakPolarHBondContact O-CE 3.46Å; T230-K241 PolarHBondContact O-NZ 3.06Å
231	V	95.2	Very high	96	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161	-172.6	-52.8	0	0	0	0	110.9	T217 V218 I220 M238 K239 K241	T217-V231 CarbonylContact C-O 3.55Å; T217-V231 VanDerWaalsContact CA-O 3.26Å; T217-V231 WeakPolarHBondContact CA-O 3.14Å; T217-V231 WeakPolarHBondContact CB-O 3.34Å; V218-V231 HydrophobicContact CG2-CG2 4.15Å; V218-V231 PolarHBondContact N-O 3.31Å; V218-V231 PolarHBondContact O-N 2.75Å; I220-V231 HydrophobicContact CD1-CG1 3.92Å; I220-V231 HydrophobicContact CD1-CG2 3.91Å; I220-V231 HydrophobicContact CG1-CG1 4.12Å; I220-V231 HydrophobicContact CG1-CG2 4Å; I220-V231 HydrophobicContact CG2-CG2 4.02Å; V231-M238 HydrophobicContact CG2-CB 3.88Å; V231-M238 HydrophobicContact CG2-CG 4.44Å; V231-K239 WeakPolarHBondContact CG1-O 3.38Å; V231-K241 HydrophobicContact CG1-CD 4.15Å; V231-K241 HydrophobicContact CG1-CG 3.96Å
232	Q	93.8	Very high	96	Very high	146 Å²	146	59.6 Å²	59.6	68%	0.682	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.5	171.6	-69.1	-175	42.2	0	0	109.1	H234	Q232-H234 PolarHBondContact O-N 2.81Å
233	F	95	Very high	96	Very high	49 Å²	49	62 Å²	62	22%	0.215	32%	0.316	C	S	.	.			trans	-71	128.6	175.7	174	-104.8	0	0	0	109.5	M209 Y213 M216 V218 M238	M209-F233 HydrophobicContact CE-CD1 3.59Å; M209-F233 HydrophobicContact CE-CE1 3.6Å; Y213-F233 HydrophobicContact CD1-CD1 4.4Å; Y213-F233 HydrophobicContact CD1-CE1 4.42Å; Y213-F233 HydrophobicContact CG-CD1 4.44Å; Y213-F233 HydrophobicContact CG-CE1 4.44Å; M216-F233 HydrophobicContact CB-CB 4.21Å; M216-F233 HydrophobicContact CE-CB 4.22Å; M216-F233 HydrophobicContact CE-CD1 4.35Å; M216-F233 HydrophobicContact CE-CD2 4.28Å; M216-F233 HydrophobicContact CE-CG 4.02Å; M216-F233 HydrophobicContact CG-CB 3.99Å; M216-F233 PolarHBondContact O-N 2.83Å; M216-F233 HydrophobicContact SD-CB 4.43Å; M216-F233 HydrophobicContact SD-CD1 4.26Å; M216-F233 HydrophobicContact SD-CG 4.37Å; V218-F233 HydrophobicContact CG1-CB 4.11Å; V218-F233 HydrophobicContact CG1-CD2 4.14Å; V218-F233 HydrophobicContact CG1-CG 4.47Å; V218-F233 HydrophobicContact CG2-CB 4.09Å; V218-F233 HydrophobicContact CG2-CD2 4.31Å; F233-M238 HydrophobicContact CD2-SD 4.43Å
234	H	95.6	Very high	95.9	Very high	20 Å²	20	65.1 Å²	65.1	9%	0.093	33%	0.33	C	S	.	.			trans	-138.2	135.5	174	-165.3	-79.1	0	0	0	110.2	V204 T207 M209 Q232 L236 G237	V204-H234 PolarHBondContact O-NE2 2.9Å; T207-H234 PolarHBondContact O-NE2 3.33Å; M209-H234 HydrophobicContact SD-CB 4.4Å; Q232-H234 PolarHBondContact O-N 2.81Å; H234-L236 VanDerWaalsContact C-N 3.29Å; H234-L236 PolarHBondContact ND1-N 2.78Å; H234-L236 VanDerWaalsContact ND1-N 3.16Å; H234-L236 PolarHBondContact O-N 2.69Å; H234-G237 WeakPolarHBondContact CB-O 2.96Å; H234-G237 PolarHBondContact O-N 3.03Å
235	I	93.8	Very high	96	Very high	128 Å²	128	63.9 Å²	63.9	66%	0.656	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.9	-173.5	-168.2	166.8	0	0	0	113.1	M209	M209-I235 HydrophobicContact SD-CB 4.27Å; M209-I235 HydrophobicContact SD-CG2 4.12Å; M209-I235 PolarHBondContact SD-N 3.17Å
236	L	95.6	Very high	96	Very high	70 Å²	70	62.6 Å²	62.6	37%	0.366	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.5	178.8	-58.8	-178.3	0	0	0	113.8	E203 V204 T207 H234	E203-L236 HydrophobicContact CB-CD1 3.85Å; V204-L236 HydrophobicContact CG2-CB 4.14Å; T207-L236 HydrophobicContact CG2-CD1 4.41Å; H234-L236 VanDerWaalsContact C-N 3.29Å; H234-L236 PolarHBondContact ND1-N 2.78Å; H234-L236 VanDerWaalsContact ND1-N 3.16Å; H234-L236 PolarHBondContact O-N 2.69Å
237	G	95.3	Very high	96.2	Very high	18 Å²	18	57 Å²	57	19%	0.186	28%	0.282	C	S	.	.			trans	156.3	156.4	179.3	0	0	0	0	0	114	H234	H234-G237 WeakPolarHBondContact CB-O 2.96Å; H234-G237 PolarHBondContact O-N 3.03Å
238	M	95.9	Very high	96.2	Very high	24 Å²	24	57.3 Å²	57.3	12%	0.118	28%	0.281	C	S	.	.			trans	-113.4	106.7	-176	-60.7	167.8	-66.2	0	0	109.3	V218 I220 V231 F233 T248 Q250	V218-M238 HydrophobicContact CG2-CG 4.22Å; V218-M238 HydrophobicContact CG2-SD 3.5Å; V218-M238 VanDerWaalsContact CG2-SD 3.5Å; I220-M238 HydrophobicContact CD1-CB 4.39Å; I220-M238 HydrophobicContact CG2-CB 3.85Å; I220-M238 HydrophobicContact CG2-CE 3.93Å; I220-M238 HydrophobicContact CG2-CG 4.27Å; I220-M238 HydrophobicContact CG2-SD 3.53Å; I220-M238 VanDerWaalsContact CG2-SD 3.53Å; V231-M238 HydrophobicContact CG2-CB 3.88Å; V231-M238 HydrophobicContact CG2-CG 4.44Å; F233-M238 HydrophobicContact CD2-SD 4.43Å; M238-T248 WeakPolarHBondContact O-CB 3.44Å; M238-T248 WeakPolarHBondContact O-CG2 3.15Å; M238-T248 PolarHBondContact O-OG1 3.43Å; M238-Q250 HydrophobicContact CE-CB 4.3Å
239	K	97.4	Very high	96.1	Very high	48 Å²	48	51 Å²	51	21%	0.209	27%	0.267	C	S	.	.			trans	-73.7	127.4	-174.7	-161.7	179.6	-161.9	-176.2	0	112.3	D201 V231 K241 E244 Y246	D201-K239 WeakPolarHBondContact OD1-CD 3.3Å; D201-K239 WeakPolarHBondContact OD1-CE 3.3Å; D201-K239 IonicContact OD1-NZ 2.69Å; D201-K239 PolarHBondContact OD1-NZ 2.81Å; D201-K239 IonicContact OD2-NZ 2.81Å; D201-K239 PolarHBondContact OD2-NZ 3.12Å; V231-K239 WeakPolarHBondContact CG1-O 3.38Å; K239-K241 PolarHBondContact O-N 3.48Å; K239-E244 WeakPolarHBondContact CD-OE2 3.26Å; K239-E244 WeakPolarHBondContact CE-O 3.46Å; K239-E244 WeakPolarHBondContact CE-OE2 3.48Å; K239-E244 IonicContact NZ-OE2 2.78Å; K239-E244 PolarHBondContact NZ-OE2 3.06Å; K239-Y246 HydrophobicContact CB-CD1 4.22Å; K239-Y246 HydrophobicContact CB-CD2 4.42Å; K239-Y246 HydrophobicContact CB-CE1 3.8Å; K239-Y246 HydrophobicContact CB-CE2 3.99Å; K239-Y246 HydrophobicContact CD-CE2 3.81Å; K239-Y246 HydrophobicContact CG-CD2 4.08Å; K239-Y246 HydrophobicContact CG-CE1 4.42Å; K239-Y246 HydrophobicContact CG-CE2 3.7Å
240	C	97.7	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.			trans	-67.7	126.1	173.5	-178.2	0	0	0	0	111.2	I220 C222 C225 I242 E244 S245 T248	I220-C240 HydrophobicContact CD1-CB 4.48Å; C222-C240 HydrophobicContact CB-CB 3.87Å; C222-C240 VanDerWaalsContact CB-SG 3.58Å; C225-C240 VanDerWaalsContact SG-SG 3.61Å; C240-I242 PolarHBondContact O-N 2.88Å; C240-I242 PolarHBondContact SG-N 3.47Å; C240-E244 WeakPolarHBondContact O-CA 3.31Å; C240-E244 PolarHBondContact O-N 3.2Å; C240-S245 WeakPolarHBondContact CB-O 3.42Å; C240-S245 PolarHBondContact N-O 2.86Å; C240-T248 HydrophobicContact CB-CG2 3.93Å
241	K	96.9	Very high	95.5	Very high	141 Å²	141	52.5 Å²	52.5	61%	0.613	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6	178.7	-69	179	168.9	171.7	0	115.4	T230 V231 K239	T230-K241 VanDerWaalsContact O-CE 3.3Å; T230-K241 WeakPolarHBondContact O-CE 3.46Å; T230-K241 PolarHBondContact O-NZ 3.06Å; V231-K241 HydrophobicContact CG1-CD 4.15Å; V231-K241 HydrophobicContact CG1-CG 3.96Å; K239-K241 PolarHBondContact O-N 3.48Å
242	I	97.1	Very high	94.4	Very high	107 Å²	107	54.4 Å²	54.4	55%	0.549	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-45.2	-174.9	-62	163	0	0	0	110.6	C240	C240-I242 PolarHBondContact O-N 2.88Å; C240-I242 PolarHBondContact SG-N 3.47Å
243	C	96.6	Very high	92.8	Very high	51 Å²	51	50.3 Å²	50.3	35%	0.345	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	5.2	-176.5	71.4	0	0	0	0	113.8	C225 S245	C225-C243 HydrophobicContact CB-CB 3.86Å; C225-C243 VanDerWaalsContact SG-SG 3.6Å; C243-S245 PolarHBondContact O-N 3.26Å; C243-S245 VanDerWaalsContact SG-CB 3.59Å
244	E	97	Very high	91.2	Very high	95 Å²	95	56.3 Å²	56.3	44%	0.444	31%	0.313	S	S	.	.			trans	62.6	9.9	177.6	-59.1	-62	112.6	0	0	115.1	K239 C240	K239-E244 WeakPolarHBondContact CD-OE2 3.26Å; K239-E244 WeakPolarHBondContact CE-O 3.46Å; K239-E244 WeakPolarHBondContact CE-OE2 3.48Å; K239-E244 IonicContact NZ-OE2 2.78Å; K239-E244 PolarHBondContact NZ-OE2 3.06Å; C240-E244 WeakPolarHBondContact O-CA 3.31Å; C240-E244 PolarHBondContact O-N 3.2Å
245	S	97.5	Very high	89.6	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.014	34%	0.335	C	S	.	.			trans	-76.9	143.8	176.2	176.5	0	0	0	0	112.4	W197 D224 C240 C243 N247 T248	W197-S245 VanDerWaalsContact CZ2-OG 3.3Å; W197-S245 WeakPolarHBondContact CZ2-OG 3.3Å; D224-S245 VanDerWaalsContact OD2-CB 3.26Å; D224-S245 WeakPolarHBondContact OD2-CB 3.48Å; D224-S245 PolarHBondContact OD2-OG 3.47Å; C240-S245 WeakPolarHBondContact CB-O 3.42Å; C240-S245 PolarHBondContact N-O 2.86Å; C243-S245 PolarHBondContact O-N 3.26Å; C243-S245 VanDerWaalsContact SG-CB 3.59Å; S245-N247 WeakPolarHBondContact OG-CB 3.42Å; S245-N247 PolarHBondContact OG-N 2.9Å; S245-T248 WeakPolarHBondContact O-CG2 3.12Å
246	Y	97.9	Very high	87.7	Confident	20 Å²	20	62.3 Å²	62.3	8%	0.078	34%	0.335	C	S	.	.			trans	-91.7	2.1	168.1	-75.2	-95.7	0	0	0	113.3	W197 L200 D201 V204 K239 T248	W197-Y246 HydrophobicContact CB-CD2 4.23Å; W197-Y246 HydrophobicContact CD2-CD2 4.43Å; W197-Y246 HydrophobicContact CE3-CD2 4.04Å; W197-Y246 HydrophobicContact CE3-CG 4.26Å; L200-Y246 HydrophobicContact CB-CD2 3.98Å; L200-Y246 HydrophobicContact CB-CE1 4.49Å; L200-Y246 HydrophobicContact CB-CE2 3.92Å; L200-Y246 HydrophobicContact CB-CG 4.3Å; L200-Y246 HydrophobicContact CD1-CD2 4.3Å; L200-Y246 HydrophobicContact CD1-CG 4.04Å; D201-Y246 PolarHBondContact OD1-OH 3.15Å; V204-Y246 HydrophobicContact CG2-CE1 4.08Å; K239-Y246 HydrophobicContact CB-CD1 4.22Å; K239-Y246 HydrophobicContact CB-CD2 4.42Å; K239-Y246 HydrophobicContact CB-CE1 3.8Å; K239-Y246 HydrophobicContact CB-CE2 3.99Å; K239-Y246 HydrophobicContact CD-CE2 3.81Å; K239-Y246 HydrophobicContact CG-CD2 4.08Å; K239-Y246 HydrophobicContact CG-CE1 4.42Å; K239-Y246 HydrophobicContact CG-CE2 3.7Å; Y246-T248 PolarHBondContact O-N 2.96Å
247	N	97.7	Very high	85.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.335	C	S	.	.			trans	-75.7	70.2	173.5	-170.5	15.5	0	0	0	110.9	Y181 R182 M187 S189 W197 N223 D224 S245	Y181-N247 HydrophobicContact CE2-CB 4.48Å; R182-N247 PolarHBondContact NE-OD1 2.94Å; R182-N247 VanDerWaalsContact NE-OD1 3.17Å; M187-N247 PolarHBondContact O-ND2 2.93Å; S189-N247 PolarHBondContact N-ND2 2.9Å; S189-N247 PolarHBondContact OG-ND2 3.35Å; W197-N247 HydrophobicContact CH2-CB 3.96Å; W197-N247 HydrophobicContact CZ2-CB 3.94Å; N223-N247 PolarHBondContact N-O 2.91Å; N223-N247 PolarHBondContact ND2-OD1 3.18Å; D224-N247 PolarHBondContact OD1-ND2 3.16Å; D224-N247 WeakPolarHBondContact OD2-CB 3.49Å; S245-N247 WeakPolarHBondContact OG-CB 3.42Å; S245-N247 PolarHBondContact OG-N 2.9Å
248	T	97.2	Very high	83.4	Confident	20 Å²	20	68 Å²	68	12%	0.123	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.1	-171.9	67.6	0	0	0	0	111.1	I220 L221 C222 M238 C240 S245 Y246	I220-T248 HydrophobicContact CD1-CG2 3.72Å; L221-T248 CarbonylContact O-C 3.58Å; L221-T248 VanDerWaalsContact O-CA 3.3Å; L221-T248 WeakPolarHBondContact O-CA 3.4Å; C222-T248 HydrophobicContact CB-CG2 4.04Å; M238-T248 WeakPolarHBondContact O-CB 3.44Å; M238-T248 WeakPolarHBondContact O-CG2 3.15Å; M238-T248 PolarHBondContact O-OG1 3.43Å; C240-T248 HydrophobicContact CB-CG2 3.93Å; S245-T248 WeakPolarHBondContact O-CG2 3.12Å; Y246-T248 PolarHBondContact O-N 2.96Å
249	A	94.9	Very high	81.4	Confident	46 Å²	46	73.3 Å²	73.3	38%	0.38	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.8	174	0	0	0	0	0	109.5	I220 L221 A251	I220-A249 CarbonylContact C-O 3.52Å; I220-A249 VanDerWaalsContact CA-O 3.27Å; I220-A249 WeakPolarHBondContact CA-O 3.25Å; L221-A249 PolarHBondContact N-O 3.16Å; L221-A249 PolarHBondContact O-N 2.61Å; A249-A251 PolarHBondContact O-N 2.95Å
250	Q	93.7	Very high	78.8	Confident	79 Å²	79	78.7 Å²	78.7	37%	0.369	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.8	175.8	-174.2	175.3	-16.6	0	0	109.9	V218 D219 M238 G252	V218-Q250 HydrophobicContact CB-CG 4.26Å; V218-Q250 HydrophobicContact CG1-CG 4.46Å; D219-Q250 CarbonylContact O-C 3.54Å; M238-Q250 HydrophobicContact CE-CB 4.3Å; Q250-G252 WeakPolarHBondContact CG-O 3.3Å; Q250-G252 PolarHBondContact NE2-O 2.75Å
251	A	84.8	Confident	75.9	Confident	30 Å²	30	90.5 Å²	90.5	25%	0.248	48%	0.475	C	S	.	.			trans	-107.5	59.2	-175.2	0	0	0	0	0	110.9	D219 L221 A249	D219-A251 PolarHBondContact O-N 3.38Å; L221-A251 HydrophobicContact CB-CB 4.03Å; A249-A251 PolarHBondContact O-N 2.95Å
252	G	70.9	Confident	74.8	Confident	49 Å²	49	88 Å²	88	51%	0.505	47%	0.468	S	S	.	.	S	Bend	trans	137.1	-175.5	176.4	0	0	0	0	0	114.8	Q250	Q250-G252 WeakPolarHBondContact CG-O 3.3Å; Q250-G252 PolarHBondContact NE2-O 2.75Å
253	G	60.9	Low	73.6	Confident	60 Å²	60	86.9 Å²	86.9	62%	0.619	46%	0.463	S	S	*	.	S	Bend	trans	-69.8	165.1	177.8	0	0	0	0	0	113.7
254	R	61.2	Low	72.4	Confident	174 Å²	174	88.9 Å²	88.9	66%	0.657	47%	0.47	S	S	*	.			trans	-66.4	137.9	180	-54.9	-177.8	-172.6	171.2	3.2	110.4	M216	M216-R254 HydrophobicContact CE-CB 3.75Å; M216-R254 HydrophobicContact CE-CG 3.43Å; M216-R254 VanDerWaalsContact CE-CG 3.43Å; M216-R254 HydrophobicContact SD-CG 4.5Å
255	R	61.4	Low	70.9	Confident	146 Å²	146	88.6 Å²	88.6	55%	0.551	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.6	166.3	-61.5	-171.8	-168.5	-147.6	5.2	108.6	T217 D219	T217-R255 PolarHBondContact N-O 2.77Å; T217-R255 VanDerWaalsContact N-O 3.16Å; T217-R255 PolarHBondContact O-N 2.8Å; T217-R255 VanDerWaalsContact O-O 3.09Å; D219-R255 IonicContact OD1-NE 3.84Å; D219-R255 IonicContact OD1-NH2 3.98Å; D219-R255 IonicContact OD2-CZ 3.22Å; D219-R255 VanDerWaalsContact OD2-CZ 3.22Å; D219-R255 IonicContact OD2-NE 2.95Å; D219-R255 PolarHBondContact OD2-NE 3.27Å; D219-R255 IonicContact OD2-NH2 2.75Å; D219-R255 PolarHBondContact OD2-NH2 3.13Å
256	I	54.9	Low	69.3	Low	128 Å²	128	94 Å²	94	66%	0.656	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.3	171.1	-57	175.2	0	0	0	106.7
257	S	52.4	Low	67.3	Low	54 Å²	54	98.9 Å²	98.9	38%	0.378	53%	0.528	S	S	.	.			trans	-60	137.3	172.7	-166.5	0	0	0	0	109.6	D259	S257-D259 PolarHBondContact O-N 2.91Å; S257-D259 PolarHBondContact OG-OD2 3.38Å
258	L	47.4	Very low	65.2	Low	154 Å²	154	106 Å²	106	81%	0.806	57%	0.566	S	S	*	*	S	Bend	trans	-69	16.6	-176.1	-82.8	156.9	0	0	0	114.5	Q260	L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 2.92Å
259	D	53.7	Low	62.7	Low	135 Å²	135	112.6 Å²	112.6	72%	0.722	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	26.7	-175.7	-56.9	-51.6	0	0	0	113.5	S257	S257-D259 PolarHBondContact O-N 2.91Å; S257-D259 PolarHBondContact OG-OD2 3.38Å
260	Q	43.3	Very low	60	Low	161 Å²	161	118.2 Å²	118.2	75%	0.752	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.6	32.9	175.1	-70.4	-170.1	-8.3	0	0	113.7	L258	L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 2.92Å
261	Q	35.8	Very low	57	Low	248 Å²	248	121.7 Å²	121.7	100%	1.159	64%	0.641	S	S	*	*			trans	-110.6	0	159.1	-81	-176.7	17.4	0	0	110.7

Retrieved 261 of 261 residues in 492.3 ms (Link to these results)

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