A0A087X7D3_POEFO Loading...

EMAP like 4

AlphaFold DB , UniProt , Accession A0A087X7D3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 924 aa.

						>A0A087X7D3_POEFO|A0A087X7D3
MDGFTGSLDDSMSATSVSDVNDRLSALELRVQQQEDELTVMKAALADVLRRLAASEDSGANRKQHGAKGGATMREAFSLSCIANGGTPGRKRDSASVTRKDTVSSAAKRGPSVKRSSGMERSHSSNWDSAEKNRNKLVKAASTSKLLAKVVKNADKHKDPVVSQAKMSTREKNSLAEGNSIKMFMRGRPITMFIPSDVENYEDVRAELPPERLKLEWVYGYRGRDCRANVYLLPTGEIVYFIASVAVLFSYEERTQRHYLGHTDCIKCLAIHPDKIRIATGQIAGVDKDGRALQPHVRVWDSVSLSTLQVIGLGTFERGVGSLAFSKADSGQHLSVIDDCNDHMLTVWDWQKKSKIAEIKTTTDVVLAVEFHPTDPNTIVTCGKFHIFFWAWNGNSLLRKQGLFGSHDRPKFIQCLTFRSNGDIVTGDSAGQLLVWTRNSAEAPAGKAPQAFQMRTDLRPIEAHEKGVFCMCDMRSGSLLTGGGKDRRIVLWDQQLQLDHDIEVPDQYGNIRALAEGKGDEFLVGTSRNFVLRGTFNDGFQVEVQGHTDELWGLATHPSREQFLTCAQDQMVCLWNSVDHSLQWSRTLEEHGHCAEFHPSGAVVVIGTHSGRWFVLDAESKDLVGIHSDGNEQLSVLRFSVDGSMLAVGSHDNFIYLYSVSEQGRRYSRYGKCSGHSSYITHLDWSPDNKFIMSNSGDYEILYWDIQNGCQLIRNRSECKDIDWATYTCVLGYHVFGVWPEGSDGTDINALVRSHNRKVIALADDFCKVHLFAYPCSRFKAPSHKYSAHSSHVTNVSFLHSDSHLISTGGKDTSVMQWRLVRKLVDAPKPAARRPNTAGDPAGDTAAANTAGDAAATQPLAGPDPAAAENPDPSSRVAAEGTPPPMGSTPPPSDSTLSLKDSLETSDDTATPSDEGLPPLTPPS
					

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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	32.6	Very low	35	Very low	239 Å²	239	143.2 Å²	143.2	100%	1.177	85%	0.846	S	S	*	*				0	148.3	0	-83.9	175.2	163.9	0	0	107.7
2	D	36.4	Very low	35.5	Very low	165 Å²	165	145.6 Å²	145.6	88%	0.882	85%	0.846	S	S	*	*			trans	-83.8	161.1	-154.8	-43.4	-82	0	0	0	113
3	G	32.1	Very low	36.1	Very low	74 Å²	74	139.1 Å²	139.1	76%	0.763	81%	0.814	S	S	*	*			trans	-170.4	25.2	-171.4	0	0	0	0	0	119.2
4	F	32	Very low	37	Very low	206 Å²	206	134.9 Å²	134.9	90%	0.904	80%	0.803	S	S	*	*			trans	38.8	120	164.5	-93.5	-90.5	0	0	0	121.4
5	T	39.5	Very low	37.7	Very low	141 Å²	141	132.1 Å²	132.1	87%	0.865	79%	0.788	S	S	*	*			trans	-79.7	143.9	163.8	51	0	0	0	0	112.8
6	G	31.6	Very low	38.5	Very low	81 Å²	81	127.1 Å²	127.1	84%	0.835	76%	0.761	S	S	*	*			trans	-159.2	130	167.1	0	0	0	0	0	112
7	S	39.5	Very low	39.3	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	75%	0.752	S	S	*	*			trans	-90.4	151	-179.3	-177.1	0	0	0	0	112.4
8	L	32.1	Very low	40.3	Very low	175 Å²	175	121.7 Å²	121.7	92%	0.916	73%	0.732	S	S	*	*			trans	-145.5	114.1	146.3	-105	168.2	0	0	0	108.5
9	D	34.2	Very low	41.3	Very low	138 Å²	138	120.2 Å²	120.2	74%	0.738	72%	0.72	S	S	*	*			trans	-75.8	143.2	175.4	-64.3	-76.8	0	0	0	111.4
10	D	36.9	Very low	42.7	Very low	161 Å²	161	119.1 Å²	119.1	86%	0.861	71%	0.714	S	S	*	*			trans	-134.8	76.9	162.9	-150.9	-8.9	0	0	0	110
11	S	37.9	Very low	43.9	Very low	99 Å²	99	117.7 Å²	117.7	69%	0.692	70%	0.703	S	S	*	*			trans	-122.1	84.9	-177	166.6	0	0	0	0	110.3	S13	S11-S13 PolarHBondContact O-N 3.09Å
12	M	40.9	Very low	45.5	Very low	172 Å²	172	111.8 Å²	111.8	85%	0.847	68%	0.676	S	S	*	*			trans	-67.8	97.7	163.8	-77.4	-151.7	-78.9	0	0	109.8
13	S	44	Very low	47.2	Very low	61 Å²	61	112.1 Å²	112.1	43%	0.427	67%	0.665	S	S	.	*			trans	-58.7	133.4	-177.4	56	0	0	0	0	112.7	S11 T15 S16	S11-S13 PolarHBondContact O-N 3.09Å; S13-T15 WeakPolarHBondContact CB-OG1 3.37Å; S13-T15 PolarHBondContact O-N 3.27Å; S13-T15 PolarHBondContact OG-OG1 3.47Å; S13-S16 PolarHBondContact O-N 3.18Å; S13-S16 PolarHBondContact O-OG 2.63Å
14	A	48.8	Very low	49.1	Very low	81 Å²	81	112.7 Å²	112.7	67%	0.669	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-24.2	-179	0	0	0	0	0	114.9	S16 V17 S18	A14-S16 PolarHBondContact O-N 3.44Å; A14-V17 PolarHBondContact O-N 2.8Å; A14-V17 VanDerWaalsContact O-N 3.08Å; A14-S18 PolarHBondContact O-N 3.41Å
15	T	47.4	Very low	50.9	Low	92 Å²	92	105.4 Å²	105.4	56%	0.564	63%	0.625	S	S	*	*	H	α-helix	trans	-57.4	-27.6	171.7	40.3	0	0	0	0	114.2	S13 V17 S18 D19	S13-T15 WeakPolarHBondContact CB-OG1 3.37Å; S13-T15 PolarHBondContact O-N 3.27Å; S13-T15 PolarHBondContact OG-OG1 3.47Å; T15-V17 VanDerWaalsContact C-N 3.34Å; T15-S18 WeakPolarHBondContact CA-OG 3.49Å; T15-S18 PolarHBondContact O-OG 3.05Å; T15-D19 WeakPolarHBondContact O-CB 3.41Å; T15-D19 PolarHBondContact O-N 3.29Å; T15-D19 VanDerWaalsContact O-N 3.11Å
16	S	49.8	Very low	52.4	Low	53 Å²	53	100.8 Å²	100.8	37%	0.371	60%	0.601	S	S	.	*	H	α-helix	trans	-71.5	-31.2	175.6	68.4	0	0	0	0	112.1	S13 A14 V20	S13-S16 PolarHBondContact O-N 3.18Å; S13-S16 PolarHBondContact O-OG 2.63Å; A14-S16 PolarHBondContact O-N 3.44Å; S16-V20 VanDerWaalsContact O-CG2 3.3Å; S16-V20 WeakPolarHBondContact O-CG2 3.34Å; S16-V20 PolarHBondContact O-N 3.29Å
17	V	52.3	Low	54.3	Low	99 Å²	99	101 Å²	101	60%	0.6	58%	0.583	S	S	*	*	H	α-helix	trans	-76.6	-41.1	178.7	-174.7	0	0	0	0	110.4	A14 T15 V20 N21	A14-V17 PolarHBondContact O-N 2.8Å; A14-V17 VanDerWaalsContact O-N 3.08Å; T15-V17 VanDerWaalsContact C-N 3.34Å; V17-V20 PolarHBondContact O-N 3.45Å; V17-N21 PolarHBondContact O-N 3.25Å
18	S	56.7	Low	56.1	Low	57 Å²	57	101.3 Å²	101.3	40%	0.399	57%	0.573	S	S	.	*	H	α-helix	trans	-62.9	-43	173.2	57.3	0	0	0	0	112.2	A14 T15 V20 N21 D22	A14-S18 PolarHBondContact O-N 3.41Å; T15-S18 WeakPolarHBondContact CA-OG 3.49Å; T15-S18 PolarHBondContact O-OG 3.05Å; S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.83Å; S18-N21 PolarHBondContact O-N 3.31Å; S18-N21 VanDerWaalsContact O-N 3.17Å; S18-D22 PolarHBondContact O-N 3.28Å
19	D	60.9	Low	58	Low	94 Å²	94	98.8 Å²	98.8	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-62.5	-32.8	176.5	-94.6	29.2	0	0	0	112.6	T15 R23	T15-D19 WeakPolarHBondContact O-CB 3.41Å; T15-D19 PolarHBondContact O-N 3.29Å; T15-D19 VanDerWaalsContact O-N 3.11Å; D19-R23 VanDerWaalsContact O-CB 3.3Å; D19-R23 WeakPolarHBondContact O-CB 3.34Å; D19-R23 VanDerWaalsContact O-CD 3.25Å; D19-R23 WeakPolarHBondContact O-CD 3.44Å; D19-R23 WeakPolarHBondContact O-CG 3.25Å; D19-R23 PolarHBondContact O-N 2.62Å
20	V	68.9	Low	59.8	Low	98 Å²	98	98.6 Å²	98.6	59%	0.594	55%	0.549	S	S	*	.	H	α-helix	trans	-72.2	-42.3	173.4	167.5	0	0	0	0	111.1	S16 V17 S18 R23 L24	S16-V20 VanDerWaalsContact O-CG2 3.3Å; S16-V20 WeakPolarHBondContact O-CG2 3.34Å; S16-V20 PolarHBondContact O-N 3.29Å; V17-V20 PolarHBondContact O-N 3.45Å; S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.83Å; V20-R23 PolarHBondContact O-N 2.88Å; V20-L24 WeakPolarHBondContact O-CB 3.3Å; V20-L24 PolarHBondContact O-N 3.11Å
21	N	68.2	Low	61.7	Low	90 Å²	90	94.3 Å²	94.3	48%	0.481	53%	0.528	S	S	.	.	H	α-helix	trans	-67.8	-44.7	-179.8	-159.8	92.3	0	0	0	112.2	V17 S18 R23 L24 S25	V17-N21 PolarHBondContact O-N 3.25Å; S18-N21 PolarHBondContact O-N 3.31Å; S18-N21 VanDerWaalsContact O-N 3.17Å; N21-R23 VanDerWaalsContact C-N 3.27Å; N21-R23 PolarHBondContact O-N 3.26Å; N21-L24 WeakPolarHBondContact O-CB 3.37Å; N21-L24 PolarHBondContact O-N 2.92Å; N21-L24 VanDerWaalsContact O-N 3.09Å; N21-S25 PolarHBondContact O-N 3.3Å
22	D	66.1	Low	63.2	Low	115 Å²	115	94.3 Å²	94.3	62%	0.615	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-34.4	174.5	-86.2	4	0	0	0	111.6	S18 A26	S18-D22 PolarHBondContact O-N 3.28Å; D22-A26 WeakPolarHBondContact O-CB 3.45Å; D22-A26 PolarHBondContact O-N 2.67Å
23	R	70.9	Confident	64.6	Low	171 Å²	171	91.6 Å²	91.6	65%	0.645	50%	0.503	S	S	*	.	H	α-helix	trans	-69.1	-34.9	172	-78.2	172.1	-178.1	-159.6	2.3	113	D19 V20 N21 L27	D19-R23 VanDerWaalsContact O-CB 3.3Å; D19-R23 WeakPolarHBondContact O-CB 3.34Å; D19-R23 VanDerWaalsContact O-CD 3.25Å; D19-R23 WeakPolarHBondContact O-CD 3.44Å; D19-R23 WeakPolarHBondContact O-CG 3.25Å; D19-R23 PolarHBondContact O-N 2.62Å; V20-R23 PolarHBondContact O-N 2.88Å; N21-R23 VanDerWaalsContact C-N 3.27Å; N21-R23 PolarHBondContact O-N 3.26Å; R23-L27 WeakPolarHBondContact O-CB 3.02Å; R23-L27 VanDerWaalsContact O-CG 3.3Å; R23-L27 WeakPolarHBondContact O-CG 3.18Å; R23-L27 PolarHBondContact O-N 3.33Å
24	L	71.8	Confident	66	Low	87 Å²	87	94.9 Å²	94.9	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-67	-52	176.6	-175.3	63.3	0	0	0	110.2	V20 N21 A26 L27 E28	V20-L24 WeakPolarHBondContact O-CB 3.3Å; V20-L24 PolarHBondContact O-N 3.11Å; N21-L24 WeakPolarHBondContact O-CB 3.37Å; N21-L24 PolarHBondContact O-N 2.92Å; N21-L24 VanDerWaalsContact O-N 3.09Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3Å; L24-L27 CarbonylContact O-C 3.56Å; L24-L27 WeakPolarHBondContact O-CA 3.41Å; L24-L27 WeakPolarHBondContact O-CB 3.45Å; L24-L27 PolarHBondContact O-N 2.7Å; L24-E28 WeakPolarHBondContact O-CG 3.12Å; L24-E28 PolarHBondContact O-N 3.17Å
25	S	69.7	Low	67.3	Low	53 Å²	53	96 Å²	96	37%	0.371	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-30.7	176.5	-59.5	0	0	0	0	113.6	N21 L27 E28 L29	N21-S25 PolarHBondContact O-N 3.3Å; S25-L27 VanDerWaalsContact C-N 3.25Å; S25-L27 PolarHBondContact O-N 3.21Å; S25-E28 VanDerWaalsContact CA-OE2 3.22Å; S25-E28 WeakPolarHBondContact CA-OE2 3.44Å; S25-E28 PolarHBondContact OG-OE2 2.83Å; S25-L29 WeakPolarHBondContact O-CB 3.04Å; S25-L29 PolarHBondContact O-N 3.14Å
26	A	70.9	Confident	68.3	Low	44 Å²	44	95.7 Å²	95.7	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-72.9	-12.5	168.7	0	0	0	0	0	113.8	D22 L24 R30	D22-A26 WeakPolarHBondContact O-CB 3.45Å; D22-A26 PolarHBondContact O-N 2.67Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3Å; A26-R30 PolarHBondContact O-NE 3.16Å; A26-R30 PolarHBondContact O-NH2 3.22Å
27	L	71.8	Confident	69.5	Low	86 Å²	86	98.3 Å²	98.3	45%	0.45	50%	0.504	S	S	.	.	H	α-helix	trans	-90.2	-45.3	169	-80	164.4	0	0	0	110.7	R23 L24 S25 L29 R30 V31	R23-L27 WeakPolarHBondContact O-CB 3.02Å; R23-L27 VanDerWaalsContact O-CG 3.3Å; R23-L27 WeakPolarHBondContact O-CG 3.18Å; R23-L27 PolarHBondContact O-N 3.33Å; L24-L27 CarbonylContact O-C 3.56Å; L24-L27 WeakPolarHBondContact O-CA 3.41Å; L24-L27 WeakPolarHBondContact O-CB 3.45Å; L24-L27 PolarHBondContact O-N 2.7Å; S25-L27 VanDerWaalsContact C-N 3.25Å; S25-L27 PolarHBondContact O-N 3.21Å; L27-L29 PolarHBondContact O-N 3.18Å; L27-R30 CarbonylContact O-C 3.59Å; L27-R30 WeakPolarHBondContact O-CA 3.04Å; L27-R30 WeakPolarHBondContact O-CB 3.49Å; L27-R30 PolarHBondContact O-N 3.39Å; L27-V31 PolarHBondContact O-N 2.83Å
28	E	78.1	Confident	70.6	Confident	102 Å²	102	97.7 Å²	97.7	48%	0.477	50%	0.497	S	S	.	.	H	α-helix	trans	-53.4	-49.7	174.8	-68.1	163.7	163.1	0	0	111.1	L24 S25 R30 V31 Q32	L24-E28 WeakPolarHBondContact O-CG 3.12Å; L24-E28 PolarHBondContact O-N 3.17Å; S25-E28 VanDerWaalsContact CA-OE2 3.22Å; S25-E28 WeakPolarHBondContact CA-OE2 3.44Å; S25-E28 PolarHBondContact OG-OE2 2.83Å; E28-R30 PolarHBondContact O-N 3.16Å; E28-V31 PolarHBondContact O-N 2.78Å; E28-V31 VanDerWaalsContact O-N 3.09Å; E28-Q32 PolarHBondContact O-N 3.27Å
29	L	71.1	Confident	71.5	Confident	122 Å²	122	98.9 Å²	98.9	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-60.4	-30.2	175.4	-176	64	0	0	0	113.2	S25 L27 Q33	S25-L29 WeakPolarHBondContact O-CB 3.04Å; S25-L29 PolarHBondContact O-N 3.14Å; L27-L29 PolarHBondContact O-N 3.18Å; L29-Q33 WeakPolarHBondContact O-CB 3.49Å; L29-Q33 PolarHBondContact O-N 2.69Å; L29-Q33 VanDerWaalsContact O-N 3.12Å
30	R	72.2	Confident	71.9	Confident	134 Å²	134	99.2 Å²	99.2	51%	0.506	51%	0.507	S	S	.	.	H	α-helix	trans	-79.5	-32.5	175.2	-93.2	179.4	-70.9	153	3.1	112.6	A26 L27 E28 Q34	A26-R30 PolarHBondContact O-NE 3.16Å; A26-R30 PolarHBondContact O-NH2 3.22Å; L27-R30 CarbonylContact O-C 3.59Å; L27-R30 WeakPolarHBondContact O-CA 3.04Å; L27-R30 WeakPolarHBondContact O-CB 3.49Å; L27-R30 PolarHBondContact O-N 3.39Å; E28-R30 PolarHBondContact O-N 3.16Å; R30-Q34 WeakPolarHBondContact O-CB 3.38Å; R30-Q34 VanDerWaalsContact O-CG 3.25Å; R30-Q34 WeakPolarHBondContact O-CG 3.3Å; R30-Q34 PolarHBondContact O-N 2.63Å
31	V	78.3	Confident	71.6	Confident	70 Å²	70	100 Å²	100	42%	0.424	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-50.6	172.1	172.5	0	0	0	0	109.1	L27 E28 Q33 Q34 E35	L27-V31 PolarHBondContact O-N 2.83Å; E28-V31 PolarHBondContact O-N 2.78Å; E28-V31 VanDerWaalsContact O-N 3.09Å; V31-Q33 VanDerWaalsContact C-N 3.33Å; V31-Q33 PolarHBondContact O-N 2.94Å; V31-Q34 CarbonylContact O-C 3.5Å; V31-Q34 WeakPolarHBondContact O-CA 3.48Å; V31-Q34 WeakPolarHBondContact O-CB 3.32Å; V31-Q34 PolarHBondContact O-N 2.73Å; V31-E35 HydrophobicContact CG1-CG 4.4Å; V31-E35 WeakPolarHBondContact O-CG 3.49Å; V31-E35 PolarHBondContact O-N 3.14Å
32	Q	68.6	Low	71.8	Confident	99 Å²	99	102.1 Å²	102.1	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-53.6	-49.3	175.1	-174.9	64.4	62.2	0	0	111.6	E28 Q34 E35 D36	E28-Q32 PolarHBondContact O-N 3.27Å; Q32-Q34 VanDerWaalsContact C-N 3.28Å; Q32-Q34 PolarHBondContact O-N 3.29Å; Q32-E35 PolarHBondContact O-N 3.21Å; Q32-E35 VanDerWaalsContact O-N 3.11Å; Q32-D36 PolarHBondContact NE2-OD1 2.74Å; Q32-D36 VanDerWaalsContact NE2-OD1 3.09Å; Q32-D36 VanDerWaalsContact O-CG 3.23Å; Q32-D36 PolarHBondContact O-N 3.16Å
33	Q	70.1	Confident	71.6	Confident	115 Å²	115	99.5 Å²	99.5	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-29.8	179	-170.9	162.9	27.9	0	0	113	L29 V31 E37	L29-Q33 WeakPolarHBondContact O-CB 3.49Å; L29-Q33 PolarHBondContact O-N 2.69Å; L29-Q33 VanDerWaalsContact O-N 3.12Å; V31-Q33 VanDerWaalsContact C-N 3.33Å; V31-Q33 PolarHBondContact O-N 2.94Å; Q33-E37 WeakPolarHBondContact O-CB 3.47Å; Q33-E37 WeakPolarHBondContact O-CG 3.47Å; Q33-E37 PolarHBondContact O-N 3.28Å
34	Q	74.3	Confident	71.4	Confident	130 Å²	130	93.9 Å²	93.9	61%	0.607	50%	0.495	S	S	*	.	H	α-helix	trans	-73.5	-32.1	171.7	-78.4	-178.8	-24.2	0	0	112.7	R30 V31 Q32 L38	R30-Q34 WeakPolarHBondContact O-CB 3.38Å; R30-Q34 VanDerWaalsContact O-CG 3.25Å; R30-Q34 WeakPolarHBondContact O-CG 3.3Å; R30-Q34 PolarHBondContact O-N 2.63Å; V31-Q34 CarbonylContact O-C 3.5Å; V31-Q34 WeakPolarHBondContact O-CA 3.48Å; V31-Q34 WeakPolarHBondContact O-CB 3.32Å; V31-Q34 PolarHBondContact O-N 2.73Å; Q32-Q34 VanDerWaalsContact C-N 3.28Å; Q32-Q34 PolarHBondContact O-N 3.29Å; Q34-L38 WeakPolarHBondContact O-CB 3.49Å; Q34-L38 PolarHBondContact O-N 3.37Å
35	E	74.5	Confident	71.3	Confident	105 Å²	105	94.7 Å²	94.7	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-72.7	-37.3	174.5	-71.5	178.2	162.3	0	0	111.6	V31 Q32 L38 T39	V31-E35 HydrophobicContact CG1-CG 4.4Å; V31-E35 WeakPolarHBondContact O-CG 3.49Å; V31-E35 PolarHBondContact O-N 3.14Å; Q32-E35 PolarHBondContact O-N 3.21Å; Q32-E35 VanDerWaalsContact O-N 3.11Å; E35-L38 PolarHBondContact O-N 2.56Å; E35-T39 VanDerWaalsContact O-CB 3.27Å; E35-T39 WeakPolarHBondContact O-CB 3.3Å; E35-T39 PolarHBondContact O-N 2.9Å; E35-T39 PolarHBondContact O-OG1 2.81Å
36	D	70.1	Confident	71.5	Confident	85 Å²	85	94 Å²	94	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-52.1	169.3	-63.9	-13.5	0	0	0	110.6	Q32 L38 T39 V40	Q32-D36 PolarHBondContact NE2-OD1 2.74Å; Q32-D36 VanDerWaalsContact NE2-OD1 3.09Å; Q32-D36 VanDerWaalsContact O-CG 3.23Å; Q32-D36 PolarHBondContact O-N 3.16Å; D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact O-N 2.88Å; D36-T39 PolarHBondContact O-N 2.94Å; D36-V40 WeakPolarHBondContact O-CG2 3.49Å; D36-V40 PolarHBondContact O-N 3Å
37	E	73.8	Confident	71.4	Confident	108 Å²	108	94 Å²	94	51%	0.505	49%	0.49	S	S	.	.	H	α-helix	trans	-58.6	-41.3	175.7	-80.9	-174.7	-179.1	0	0	111.9	Q33 T39 V40 M41	Q33-E37 WeakPolarHBondContact O-CB 3.47Å; Q33-E37 WeakPolarHBondContact O-CG 3.47Å; Q33-E37 PolarHBondContact O-N 3.28Å; E37-T39 VanDerWaalsContact C-N 3.34Å; E37-V40 PolarHBondContact O-N 2.56Å; E37-M41 HydrophobicContact CB-CE 4.4Å; E37-M41 WeakPolarHBondContact O-CB 3.37Å; E37-M41 VanDerWaalsContact O-CG 3.32Å; E37-M41 WeakPolarHBondContact O-CG 3.46Å; E37-M41 PolarHBondContact O-N 3.44Å
38	L	74.9	Confident	71.5	Confident	86 Å²	86	93.8 Å²	93.8	45%	0.45	49%	0.493	S	S	.	.	H	α-helix	trans	-72.3	-28.3	179.7	-171.5	142.9	0	0	0	112.2	Q34 E35 D36 K42	Q34-L38 WeakPolarHBondContact O-CB 3.49Å; Q34-L38 PolarHBondContact O-N 3.37Å; E35-L38 PolarHBondContact O-N 2.56Å; D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact O-N 2.88Å; L38-K42 HydrophobicContact CD2-CD 3.96Å; L38-K42 HydrophobicContact CD2-CG 4.41Å; L38-K42 WeakPolarHBondContact O-CB 3.32Å; L38-K42 VanDerWaalsContact O-CG 3.26Å; L38-K42 WeakPolarHBondContact O-CG 3.24Å; L38-K42 PolarHBondContact O-N 2.98Å
39	T	75.7	Confident	71.2	Confident	83 Å²	83	93.8 Å²	93.8	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-72.3	-43.7	171.5	-62	0	0	0	0	111.3	E35 D36 E37 M41 K42 A43	E35-T39 VanDerWaalsContact O-CB 3.27Å; E35-T39 WeakPolarHBondContact O-CB 3.3Å; E35-T39 PolarHBondContact O-N 2.9Å; E35-T39 PolarHBondContact O-OG1 2.81Å; D36-T39 PolarHBondContact O-N 2.94Å; E37-T39 VanDerWaalsContact C-N 3.34Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 3.47Å; T39-K42 WeakPolarHBondContact O-CB 3.11Å; T39-K42 PolarHBondContact O-N 3.41Å; T39-A43 PolarHBondContact O-N 3.14Å
40	V	69.8	Low	70.7	Confident	101 Å²	101	95.3 Å²	95.3	61%	0.612	49%	0.493	S	S	*	.	H	α-helix	trans	-63	-39.7	171.6	174.6	0	0	0	0	111.1	D36 E37 A43 A44	D36-V40 WeakPolarHBondContact O-CG2 3.49Å; D36-V40 PolarHBondContact O-N 3Å; E37-V40 PolarHBondContact O-N 2.56Å; V40-A43 PolarHBondContact O-N 3.47Å; V40-A44 WeakPolarHBondContact O-CB 3.37Å; V40-A44 PolarHBondContact O-N 3.35Å
41	M	63.1	Low	70.5	Confident	114 Å²	114	97.2 Å²	97.2	56%	0.562	50%	0.5	S	S	*	.	H	α-helix	trans	-67.4	-37.7	174.4	-77.5	-170	-73.6	0	0	112.9	E37 T39 A44 L45	E37-M41 HydrophobicContact CB-CE 4.4Å; E37-M41 WeakPolarHBondContact O-CB 3.37Å; E37-M41 VanDerWaalsContact O-CG 3.32Å; E37-M41 WeakPolarHBondContact O-CG 3.46Å; E37-M41 PolarHBondContact O-N 3.44Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 3.47Å; M41-A44 PolarHBondContact O-N 3.05Å; M41-L45 WeakPolarHBondContact O-CB 3.23Å; M41-L45 PolarHBondContact O-N 2.85Å
42	K	72.1	Confident	69.7	Low	135 Å²	135	98.4 Å²	98.4	59%	0.587	50%	0.503	S	S	*	.	H	α-helix	trans	-59.1	-47	170.4	-80.7	165	174	167.3	0	110.9	L38 T39 L45 A46	L38-K42 HydrophobicContact CD2-CD 3.96Å; L38-K42 HydrophobicContact CD2-CG 4.41Å; L38-K42 WeakPolarHBondContact O-CB 3.32Å; L38-K42 VanDerWaalsContact O-CG 3.26Å; L38-K42 WeakPolarHBondContact O-CG 3.24Å; L38-K42 PolarHBondContact O-N 2.98Å; T39-K42 WeakPolarHBondContact O-CB 3.11Å; T39-K42 PolarHBondContact O-N 3.41Å; K42-L45 PolarHBondContact O-N 2.92Å; K42-A46 WeakPolarHBondContact O-CB 3.48Å; K42-A46 PolarHBondContact O-N 2.75Å
43	A	61.3	Low	69.7	Low	59 Å²	59	96 Å²	96	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-42.2	178.3	0	0	0	0	0	112.5	T39 V40 A46 D47	T39-A43 PolarHBondContact O-N 3.14Å; V40-A43 PolarHBondContact O-N 3.47Å; A43-A46 PolarHBondContact O-N 3.32Å; A43-D47 PolarHBondContact O-N 3.13Å
44	A	66.4	Low	69.3	Low	53 Å²	53	93.2 Å²	93.2	44%	0.438	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-39.7	175.9	0	0	0	0	0	112.6	V40 M41 D47 V48	V40-A44 WeakPolarHBondContact O-CB 3.37Å; V40-A44 PolarHBondContact O-N 3.35Å; M41-A44 PolarHBondContact O-N 3.05Å; A44-D47 PolarHBondContact O-N 2.78Å; A44-V48 WeakPolarHBondContact O-CG2 3.46Å; A44-V48 PolarHBondContact O-N 3.46Å
45	L	70.5	Confident	68.8	Low	104 Å²	104	90.2 Å²	90.2	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-43.1	174.8	178.5	60.5	0	0	0	111.2	M41 K42 D47 V48 L49	M41-L45 WeakPolarHBondContact O-CB 3.23Å; M41-L45 PolarHBondContact O-N 2.85Å; K42-L45 PolarHBondContact O-N 2.92Å; L45-D47 VanDerWaalsContact C-N 3.25Å; L45-D47 PolarHBondContact O-N 3.25Å; L45-V48 PolarHBondContact O-N 2.98Å; L45-L49 HydrophobicContact CD1-CD1 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.37Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 WeakPolarHBondContact O-CB 3.34Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.27Å; L45-L49 PolarHBondContact O-N 2.89Å
46	A	74.5	Confident	68.3	Low	38 Å²	38	91.5 Å²	91.5	31%	0.314	50%	0.496	S	S	.	.	H	α-helix	trans	-58	-39.7	172	0	0	0	0	0	111.2	K42 A43 L49 R50	K42-A46 WeakPolarHBondContact O-CB 3.48Å; K42-A46 PolarHBondContact O-N 2.75Å; A43-A46 PolarHBondContact O-N 3.32Å; A46-L49 PolarHBondContact O-N 3.47Å; A46-R50 VanDerWaalsContact O-CG 3.32Å; A46-R50 WeakPolarHBondContact O-CG 3.29Å; A46-R50 PolarHBondContact O-N 3.34Å
47	D	68.9	Low	67.4	Low	45 Å²	45	92.7 Å²	92.7	24%	0.241	50%	0.503	C	S	.	.	H	α-helix	trans	-68.9	-39.1	176.1	-157	61.3	0	0	0	113.7	A43 A44 L45 L49 R50 R51	A43-D47 PolarHBondContact O-N 3.13Å; A44-D47 PolarHBondContact O-N 2.78Å; L45-D47 VanDerWaalsContact C-N 3.25Å; L45-D47 PolarHBondContact O-N 3.25Å; D47-L49 VanDerWaalsContact C-N 3.34Å; D47-R50 PolarHBondContact O-N 2.9Å; D47-R50 IonicContact OD1-CZ 3.63Å; D47-R50 IonicContact OD1-NE 2.79Å; D47-R50 PolarHBondContact OD1-NE 3.14Å; D47-R50 VanDerWaalsContact OD1-NE 3.17Å; D47-R50 IonicContact OD1-NH2 2.66Å; D47-R50 PolarHBondContact OD1-NH2 3.46Å; D47-R51 VanDerWaalsContact O-CG 3.28Å; D47-R51 WeakPolarHBondContact O-CG 3.45Å; D47-R51 PolarHBondContact O-N 3.42Å; D47-R51 IonicContact OD2-CZ 2.65Å; D47-R51 IonicContact OD2-NE 2.65Å; D47-R51 PolarHBondContact OD2-NE 3.13Å; D47-R51 IonicContact OD2-NH2 3.34Å; D47-R51 PolarHBondContact OD2-NH2 3.43Å
48	V	72.8	Confident	66.3	Low	82 Å²	82	91.4 Å²	91.4	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-42.1	172.5	170.2	0	0	0	0	110.9	A44 L45 R51 L52	A44-V48 WeakPolarHBondContact O-CG2 3.46Å; A44-V48 PolarHBondContact O-N 3.46Å; L45-V48 PolarHBondContact O-N 2.98Å; V48-R51 PolarHBondContact O-N 3.22Å; V48-L52 PolarHBondContact O-N 2.91Å
49	L	71.2	Confident	64.9	Low	102 Å²	102	89.2 Å²	89.2	53%	0.534	50%	0.503	S	S	.	.	H	α-helix	trans	-65.9	-41.4	176.1	-69.6	169.5	0	0	0	112	L45 A46 D47 R51 L52 A53	L45-L49 HydrophobicContact CD1-CD1 4.37Å; L45-L49 HydrophobicContact CD1-CG 4.37Å; L45-L49 HydrophobicContact CG-CD1 4.15Å; L45-L49 WeakPolarHBondContact O-CB 3.34Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.27Å; L45-L49 PolarHBondContact O-N 2.89Å; A46-L49 PolarHBondContact O-N 3.47Å; D47-L49 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 2.8Å; L49-L52 WeakPolarHBondContact O-CB 3.24Å; L49-L52 PolarHBondContact O-N 2.91Å; L49-A53 PolarHBondContact O-N 2.83Å
50	R	61.9	Low	63.6	Low	154 Å²	154	88 Å²	88	58%	0.581	50%	0.502	S	S	*	.	H	α-helix	trans	-57.9	-45.2	171.7	-75.4	-174.4	-62.1	-117.4	7.3	111.8	A46 D47 L52 A54	A46-R50 VanDerWaalsContact O-CG 3.32Å; A46-R50 WeakPolarHBondContact O-CG 3.29Å; A46-R50 PolarHBondContact O-N 3.34Å; D47-R50 PolarHBondContact O-N 2.9Å; D47-R50 IonicContact OD1-CZ 3.63Å; D47-R50 IonicContact OD1-NE 2.79Å; D47-R50 PolarHBondContact OD1-NE 3.14Å; D47-R50 VanDerWaalsContact OD1-NE 3.17Å; D47-R50 IonicContact OD1-NH2 2.66Å; D47-R50 PolarHBondContact OD1-NH2 3.46Å; R50-L52 VanDerWaalsContact C-N 3.34Å; R50-A54 WeakPolarHBondContact O-CB 3.37Å; R50-A54 PolarHBondContact O-N 3.18Å
51	R	66.7	Low	62.3	Low	174 Å²	174	89.2 Å²	89.2	66%	0.657	51%	0.505	S	S	*	.	H	α-helix	trans	-64.9	-36.5	176.4	-69.1	172.6	-162.8	-138.4	5.3	112.2	D47 V48 L49 S55	D47-R51 VanDerWaalsContact O-CG 3.28Å; D47-R51 WeakPolarHBondContact O-CG 3.45Å; D47-R51 PolarHBondContact O-N 3.42Å; D47-R51 IonicContact OD2-CZ 2.65Å; D47-R51 IonicContact OD2-NE 2.65Å; D47-R51 PolarHBondContact OD2-NE 3.13Å; D47-R51 IonicContact OD2-NH2 3.34Å; D47-R51 PolarHBondContact OD2-NH2 3.43Å; V48-R51 PolarHBondContact O-N 3.22Å; L49-R51 PolarHBondContact O-N 2.8Å; R51-S55 WeakPolarHBondContact O-CB 3.34Å; R51-S55 PolarHBondContact O-N 3.41Å; R51-S55 VanDerWaalsContact O-N 3.1Å
52	L	63.6	Low	61.3	Low	95 Å²	95	94.5 Å²	94.5	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-53.9	176.3	-137.7	81.7	0	0	0	110.6	V48 L49 R50 A54 S55 E56	V48-L52 PolarHBondContact O-N 2.91Å; L49-L52 WeakPolarHBondContact O-CB 3.24Å; L49-L52 PolarHBondContact O-N 2.91Å; R50-L52 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 3.29Å; L52-S55 WeakPolarHBondContact O-CA 3.41Å; L52-S55 WeakPolarHBondContact O-CB 3.45Å; L52-S55 PolarHBondContact O-N 3.12Å; L52-S55 PolarHBondContact O-OG 2.83Å; L52-E56 PolarHBondContact O-N 2.79Å
53	A	67.8	Low	59.9	Low	49 Å²	49	97.1 Å²	97.1	41%	0.405	53%	0.53	S	S	.	.	H	α-helix	trans	-57.6	-45.9	179	0	0	0	0	0	112.2	L49 S55 E56 D57	L49-A53 PolarHBondContact O-N 2.83Å; A53-S55 PolarHBondContact O-N 3.42Å; A53-E56 PolarHBondContact O-N 2.78Å; A53-D57 PolarHBondContact O-N 2.67Å
54	A	62.3	Low	59	Low	55 Å²	55	102.3 Å²	102.3	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-61.2	-29.3	175.4	0	0	0	0	0	113.2	R50 L52 S58	R50-A54 WeakPolarHBondContact O-CB 3.37Å; R50-A54 PolarHBondContact O-N 3.18Å; L52-A54 PolarHBondContact O-N 3.29Å; A54-S58 WeakPolarHBondContact O-CB 3.1Å; A54-S58 PolarHBondContact O-N 3.37Å; A54-S58 PolarHBondContact O-OG 3.38Å
55	S	62	Low	57.6	Low	68 Å²	68	108.2 Å²	108.2	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-76.1	-31.9	174	82.5	0	0	0	0	112.9	R51 L52 A53 S58 G59	R51-S55 WeakPolarHBondContact O-CB 3.34Å; R51-S55 PolarHBondContact O-N 3.41Å; R51-S55 VanDerWaalsContact O-N 3.1Å; L52-S55 WeakPolarHBondContact O-CA 3.41Å; L52-S55 WeakPolarHBondContact O-CB 3.45Å; L52-S55 PolarHBondContact O-N 3.12Å; L52-S55 PolarHBondContact O-OG 2.83Å; A53-S55 PolarHBondContact O-N 3.42Å; S55-S58 WeakPolarHBondContact O-CB 3.13Å; S55-S58 PolarHBondContact O-N 2.91Å; S55-G59 PolarHBondContact O-N 3.1Å
56	E	65	Low	55.7	Low	131 Å²	131	107.3 Å²	107.3	61%	0.612	58%	0.579	S	S	*	*	H	α-helix	trans	-73	-42.9	177	-68	-174.4	143.7	0	0	111.5	L52 A53 S58 G59 A60	L52-E56 PolarHBondContact O-N 2.79Å; A53-E56 PolarHBondContact O-N 2.78Å; E56-S58 VanDerWaalsContact C-N 3.31Å; E56-S58 PolarHBondContact O-N 3.01Å; E56-G59 CarbonylContact O-C 3.13Å; E56-G59 WeakPolarHBondContact O-CA 3.24Å; E56-G59 PolarHBondContact O-N 2.95Å; E56-A60 PolarHBondContact O-N 3.12Å
57	D	51.7	Low	53.7	Low	111 Å²	111	110.1 Å²	110.1	59%	0.594	60%	0.602	S	S	*	*	H	α-helix	trans	-60.6	-39.5	170.3	-83.5	-28.2	0	0	0	112.2	A53 G59 A60 N61	A53-D57 PolarHBondContact O-N 2.67Å; D57-G59 VanDerWaalsContact C-N 3.27Å; D57-G59 PolarHBondContact O-N 2.62Å; D57-A60 PolarHBondContact O-N 3.47Å; D57-N61 PolarHBondContact O-N 2.84Å
58	S	50.6	Low	51.9	Low	81 Å²	81	118.4 Å²	118.4	57%	0.566	64%	0.636	S	S	*	*	H	α-helix	trans	-64.1	-32.7	173	-63.3	0	0	0	0	112.3	A54 S55 E56	A54-S58 WeakPolarHBondContact O-CB 3.1Å; A54-S58 PolarHBondContact O-N 3.37Å; A54-S58 PolarHBondContact O-OG 3.38Å; S55-S58 WeakPolarHBondContact O-CB 3.13Å; S55-S58 PolarHBondContact O-N 2.91Å; E56-S58 VanDerWaalsContact C-N 3.31Å; E56-S58 PolarHBondContact O-N 3.01Å
59	G	45.9	Very low	49.9	Very low	39 Å²	39	118.3 Å²	118.3	40%	0.402	65%	0.652	S	S	.	*	H	α-helix	trans	-73.7	-37.7	174	0	0	0	0	0	113.4	S55 E56 D57	S55-G59 PolarHBondContact O-N 3.1Å; E56-G59 CarbonylContact O-C 3.13Å; E56-G59 WeakPolarHBondContact O-CA 3.24Å; E56-G59 PolarHBondContact O-N 2.95Å; D57-G59 VanDerWaalsContact C-N 3.27Å; D57-G59 PolarHBondContact O-N 2.62Å
60	A	46.8	Very low	47.8	Very low	59 Å²	59	117.4 Å²	117.4	49%	0.488	67%	0.667	S	S	.	*	H	α-helix	trans	-66.6	-50.6	178.4	0	0	0	0	0	111.8	E56 D57 R62 K63	E56-A60 PolarHBondContact O-N 3.12Å; D57-A60 PolarHBondContact O-N 3.47Å; A60-R62 PolarHBondContact O-N 3.39Å; A60-R62 VanDerWaalsContact O-N 3.14Å; A60-K63 PolarHBondContact O-N 3.11Å; A60-K63 VanDerWaalsContact O-N 3.1Å
61	N	42.5	Very low	46.3	Very low	126 Å²	126	114.4 Å²	114.4	67%	0.674	68%	0.675	S	S	*	*	H	α-helix	trans	-57.4	-30.6	178.3	-91.9	-51.8	0	0	0	112.9	D57 K63	D57-N61 PolarHBondContact O-N 2.84Å; N61-K63 PolarHBondContact O-N 3.14Å
62	R	43	Very low	44.5	Very low	225 Å²	225	112 Å²	112	85%	0.849	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-3.8	-178.8	-142.8	173.2	-171.7	177.8	3	114.7	A60	A60-R62 PolarHBondContact O-N 3.39Å; A60-R62 VanDerWaalsContact O-N 3.14Å
63	K	42.2	Very low	42.8	Very low	189 Å²	189	114.7 Å²	114.7	82%	0.822	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-9	177.5	-77.7	-177.1	177.2	173.6	0	115.2	A60 N61	A60-K63 PolarHBondContact O-N 3.11Å; A60-K63 VanDerWaalsContact O-N 3.1Å; N61-K63 PolarHBondContact O-N 3.14Å
64	Q	43.5	Very low	40.9	Very low	168 Å²	168	121 Å²	121	79%	0.785	71%	0.705	S	S	*	*	S	Bend	trans	-95.5	-2.3	-177	-78.1	-164.5	-4	0	0	115.6
65	H	35.6	Very low	39.4	Very low	177 Å²	177	125.5 Å²	125.5	82%	0.819	72%	0.717	S	S	*	*	S	Bend	trans	-130.3	125.3	178	-80.9	21.3	0	0	0	111.9
66	G	31.2	Very low	37.7	Very low	86 Å²	86	125.9 Å²	125.9	89%	0.887	72%	0.724	S	S	*	*			trans	112.3	72.4	164	0	0	0	0	0	116.6
67	A	31.8	Very low	35.9	Very low	97 Å²	97	129.8 Å²	129.8	80%	0.802	74%	0.739	S	S	*	*			trans	-115.2	101.4	164.5	0	0	0	0	0	111
68	K	32.7	Very low	34.7	Very low	218 Å²	218	129.2 Å²	129.2	95%	0.948	74%	0.744	S	S	*	*			trans	171.9	133.3	153.3	-100.2	160.9	-175.5	179.9	0	112.6
69	G	30.1	Very low	33.6	Very low	81 Å²	81	133.7 Å²	133.7	84%	0.835	76%	0.761	S	S	*	*			trans	97.5	118.6	139.9	0	0	0	0	0	120.1
70	G	27.7	Very low	32.8	Very low	83 Å²	83	137 Å²	137	86%	0.856	78%	0.778	S	S	*	*			trans	87.8	94.8	132.8	0	0	0	0	0	119.4
71	A	28.8	Very low	32	Very low	90 Å²	90	139.3 Å²	139.3	74%	0.744	79%	0.789	S	S	*	*			trans	-71.2	163.1	162.6	0	0	0	0	0	111.4
72	T	29.8	Very low	31.3	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	80%	0.795	S	S	*	*				-175.8	168.5	67.1	39.1	0	0	0	0	112.9
73	M	27.6	Very low	30.6	Very low	151 Å²	151	133.8 Å²	133.8	74%	0.744	79%	0.786	S	S	*	*			trans	74.5	139	162.6	-61.8	-136.6	-63.7	0	0	118.4
74	R	28.9	Very low	30.1	Very low	180 Å²	180	132.6 Å²	132.6	68%	0.679	79%	0.789	S	S	*	*			cis	-159.6	154.3	-15.9	-127	-173	168.5	130.1	-5.6	111.4
75	E	29.5	Very low	29.3	Very low	151 Å²	151	128.3 Å²	128.3	71%	0.706	79%	0.789	S	S	*	*			trans	27.6	145	141.3	-71.6	153.1	-146.4	0	0	121.5
76	A	27.4	Very low	28.8	Very low	76 Å²	76	122.9 Å²	122.9	63%	0.628	78%	0.781	S	S	*	*			cis	-170.7	159.9	-10.2	0	0	0	0	0	110.1
77	F	27.4	Very low	28.7	Very low	212 Å²	212	125.4 Å²	125.4	93%	0.93	78%	0.78	S	S	*	*				-174	155.8	107	-106.3	-74.2	0	0	0	111.4
78	S	25.5	Very low	29.6	Very low	100 Å²	100	126.8 Å²	126.8	70%	0.699	78%	0.781	S	S	*	*			trans	-125.1	146.6	-179.8	177.9	0	0	0	0	109.9
79	L	28.4	Very low	29.3	Very low	175 Å²	175	120.2 Å²	120.2	92%	0.916	78%	0.775	S	S	*	*			trans	-143.3	133.8	160.2	-97.4	173.9	0	0	0	109.9
80	S	29.4	Very low	29.2	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	78%	0.777	S	S	*	*			trans	-150.7	142.1	170.8	64.3	0	0	0	0	109.2
81	C	28	Very low	29.1	Very low	108 Å²	108	131.7 Å²	131.7	73%	0.73	77%	0.772	S	S	*	*			trans	-152	121.2	172.7	48.7	0	0	0	0	112.4
82	I	28.4	Very low	29.1	Very low	155 Å²	155	136.9 Å²	136.9	80%	0.795	77%	0.772	S	S	*	*			trans	67.9	109.1	136.1	-59.8	167.3	0	0	0	115.3
83	A	29.7	Very low	28.9	Very low	80 Å²	80	136.6 Å²	136.6	66%	0.661	77%	0.766	S	S	*	*				68.1	141.9	50.2	0	0	0	0	0	112.9
84	N	31.3	Very low	28.9	Very low	164 Å²	164	134.2 Å²	134.2	88%	0.877	76%	0.764	S	S	*	*			cis	-136.6	178.6	20.7	-67.3	-65.5	0	0	0	109.4
85	G	26.4	Very low	28.8	Very low	77 Å²	77	130.1 Å²	130.1	79%	0.794	77%	0.768	S	S	*	*			cis	165.4	170.6	-0.8	0	0	0	0	0	109
86	G	24.6	Very low	28.7	Very low	64 Å²	64	127.7 Å²	127.7	66%	0.66	77%	0.768	S	S	*	*			cis	-176.5	155.4	-6.7	0	0	0	0	0	112.8
87	T	30.1	Very low	28.7	Very low	138 Å²	138	129.6 Å²	129.6	85%	0.847	77%	0.772	S	S	*	*			trans	38.2	153.6	137.2	56.3	0	0	0	0	123
88	P	49.3	Very low	28.7	Very low	127 Å²	127	124.4 Å²	124.4	83%	0.825	76%	0.758	S	S	*	*			cis	-141.9	166.8	-29.9	38.7	-21.5	0	0	0	115
89	G	26.3	Very low	28.9	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	76%	0.764	S	S	*	*			trans	-154.9	99.2	173.7	0	0	0	0	0	114.8
90	R	28.4	Very low	28.8	Very low	234 Å²	234	128.9 Å²	128.9	88%	0.883	75%	0.751	S	S	*	*			trans	-62.3	159.6	170.2	-66.4	171.5	173.4	177.2	-1.4	111.1
91	K	26.9	Very low	28.7	Very low	170 Å²	170	129.3 Å²	129.3	74%	0.739	75%	0.745	S	S	*	*			cis	-168.4	165.4	-5.5	-120.7	-177.5	177.4	-174.8	0	108
92	R	28.3	Very low	28.7	Very low	200 Å²	200	129.3 Å²	129.3	76%	0.755	74%	0.742	S	S	*	*			trans	20.5	145.9	135	-76.1	-174.4	173.1	-153.2	4.6	120.5
93	D	25.5	Very low	28.7	Very low	118 Å²	118	127.6 Å²	127.6	63%	0.631	74%	0.738	S	S	*	*			cis	-155.2	154.2	21.2	-108.2	-31.3	0	0	0	113.8
94	S	27.6	Very low	28.5	Very low	102 Å²	102	129 Å²	129	71%	0.713	74%	0.743	S	S	*	*			trans	44.1	140.8	144.1	72.4	0	0	0	0	124.8
95	A	26.8	Very low	28.4	Very low	93 Å²	93	125.9 Å²	125.9	77%	0.769	73%	0.734	S	S	*	*			trans	72.8	151.5	144.9	0	0	0	0	0	118.7
96	S	26.4	Very low	28.5	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	73%	0.734	S	S	*	*			cis	-170	-175.3	-24.6	59.3	0	0	0	0	109.9
97	V	27.4	Very low	28.7	Very low	116 Å²	116	127.9 Å²	127.9	70%	0.703	74%	0.737	S	S	*	*			trans	78.1	104.8	147.9	160.9	0	0	0	0	118.5
98	T	28.6	Very low	28.6	Very low	104 Å²	104	130 Å²	130	64%	0.638	74%	0.735	S	S	*	*			trans	74.6	131.7	140.2	60.1	0	0	0	0	122.8
99	R	28.5	Very low	27.5	Very low	221 Å²	221	135 Å²	135	83%	0.834	74%	0.737	S	S	*	*				56.6	147.1	122.6	-61.7	178.8	173.4	-178.3	-1.6	118.9
100	K	27.9	Very low	27.5	Very low	147 Å²	147	134.7 Å²	134.7	64%	0.639	73%	0.734	S	S	*	*			cis	-163.1	158.2	-3.5	-127.1	-178.7	152.4	-77.7	0	107.6
101	D	26.7	Very low	28.1	Very low	118 Å²	118	129.1 Å²	129.1	63%	0.631	73%	0.728	S	S	*	*			trans	58.8	172.1	148.1	-58.8	-10.1	0	0	0	118.6
102	T	27	Very low	28.2	Very low	108 Å²	108	126.1 Å²	126.1	66%	0.663	73%	0.728	S	S	*	*				-156.6	174.9	-52	-68.6	0	0	0	0	104.7
103	V	28.2	Very low	28.3	Very low	119 Å²	119	121.9 Å²	121.9	72%	0.721	72%	0.724	S	S	*	*			trans	51.2	104.2	164.4	-87.4	0	0	0	0	117.2
104	S	27.2	Very low	28.5	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	73%	0.73	S	S	*	*				77.6	159.1	91.1	89.5	0	0	0	0	114.1
105	S	28.7	Very low	28.4	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	74%	0.736	S	S	*	*			cis	-154.3	146.4	7.7	58.6	0	0	0	0	111.6
106	A	27.8	Very low	28.3	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	74%	0.735	S	S	*	*			trans	42	147.3	139	0	0	0	0	0	123.3
107	A	29.2	Very low	28.3	Very low	89 Å²	89	132 Å²	132	74%	0.736	74%	0.743	S	S	*	*			trans	72.3	150	159.1	0	0	0	0	0	117.5
108	K	28.4	Very low	28.2	Very low	182 Å²	182	130 Å²	130	79%	0.791	75%	0.746	S	S	*	*			cis	-146.8	165.7	7.7	-117.7	147.4	-168.8	173.8	0	110.6
109	R	25.6	Very low	28.1	Very low	233 Å²	233	133.8 Å²	133.8	88%	0.879	76%	0.759	S	S	*	*			trans	10.6	131.6	147.4	-56	170.6	-179.8	-171.7	-3.6	116.4
110	G	26.2	Very low	28	Very low	73 Å²	73	130.4 Å²	130.4	75%	0.753	75%	0.752	S	S	*	*				77.6	158.6	60.3	0	0	0	0	0	111.4
111	P	42.2	Very low	27.9	Very low	116 Å²	116	133.5 Å²	133.5	75%	0.753	76%	0.76	S	S	*	*			cis	-147.7	-179.9	14.1	46	-27.7	0	0	0	117.5
112	S	28.3	Very low	27.8	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	77%	0.768	S	S	*	*			trans	70.2	156.8	142.1	101.9	0	0	0	0	120.3
113	V	30.6	Very low	27.7	Very low	110 Å²	110	136.9 Å²	136.9	67%	0.667	78%	0.777	S	S	*	*			cis	-174.7	167.6	-12.3	121.3	0	0	0	0	110.2
114	K	28.7	Very low	27.6	Very low	174 Å²	174	136.6 Å²	136.6	76%	0.757	78%	0.78	S	S	*	*			trans	74.1	149.1	164.1	-86.9	155.9	-159.2	170.1	0	117.2
115	R	27	Very low	27.5	Very low	221 Å²	221	136.3 Å²	136.3	83%	0.834	78%	0.778	S	S	*	*			cis	-164.8	-179.3	-12.5	-140	-179.3	-169	174.8	0.1	111.5
116	S	24.6	Very low	27.3	Very low	108 Å²	108	139 Å²	139	76%	0.755	79%	0.785	S	S	*	*			trans	95.9	156	160.7	78.5	0	0	0	0	118.2
117	S	26.6	Very low	27.3	Very low	122 Å²	122	146.1 Å²	146.1	85%	0.853	79%	0.791	S	S	*	*				-176.1	141.5	-68.2	45.3	0	0	0	0	112.7
118	G	24.5	Very low	27.4	Very low	76 Å²	76	148.8 Å²	148.8	78%	0.784	79%	0.793	S	S	*	*			trans	120	117.6	175.2	0	0	0	0	0	110.9
119	M	26.6	Very low	27.6	Very low	183 Å²	183	146 Å²	146	90%	0.901	80%	0.797	S	S	*	*			cis	90.6	99.4	34.7	-171.9	78.3	92.8	0	0	113.1
120	E	25.2	Very low	27.8	Very low	149 Å²	149	138.1 Å²	138.1	70%	0.696	78%	0.782	S	S	*	*				-165.1	168.2	116.6	-108.5	-153.1	129.4	0	0	114.9
121	R	26.9	Very low	28	Very low	212 Å²	212	141.5 Å²	141.5	80%	0.8	78%	0.778	S	S	*	*			trans	-41.9	151.2	-171.2	-66.9	157.4	163.1	132.7	-10.8	118.6
122	S	24.1	Very low	27.5	Very low	114 Å²	114	145.5 Å²	145.5	80%	0.797	78%	0.784	S	S	*	*			trans	-106.2	148.3	162.6	51.6	0	0	0	0	111.4
123	H	26.2	Very low	27.5	Very low	184 Å²	184	147.7 Å²	147.7	85%	0.852	79%	0.787	S	S	*	*			trans	-144	156.8	162.5	-102.7	-86	0	0	0	110.2
124	S	26.2	Very low	27.6	Very low	112 Å²	112	152.4 Å²	152.4	78%	0.783	79%	0.792	S	S	*	*			trans	-58.2	141.9	-166.9	52.1	0	0	0	0	117.5
125	S	24.8	Very low	28	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	80%	0.798	S	S	*	*			trans	-160.3	142	132.2	46.9	0	0	0	0	113.7
126	N	24.8	Very low	28.2	Very low	153 Å²	153	150.3 Å²	150.3	82%	0.818	80%	0.797	S	S	*	*			trans	41.7	95.6	152	-55.8	4.2	0	0	0	120.3	D128	N126-D128 VanDerWaalsContact C-N 3.29Å; N126-D128 PolarHBondContact O-N 2.72Å
127	W	27.5	Very low	28.6	Very low	245 Å²	245	153.1 Å²	153.1	93%	0.928	80%	0.803	S	S	*	*			trans	-87.8	46.6	161.9	-93.4	105.5	0	0	0	113.3
128	D	31.1	Very low	28.8	Very low	145 Å²	145	154.2 Å²	154.2	78%	0.775	80%	0.804	S	S	*	*			trans	-123.1	57.1	-178.3	-165.9	11	0	0	0	113	N126	N126-D128 VanDerWaalsContact C-N 3.29Å; N126-D128 PolarHBondContact O-N 2.72Å
129	S	31.1	Very low	29.1	Very low	124 Å²	124	160.9 Å²	160.9	87%	0.867	81%	0.812	S	S	*	*	S	Bend	trans	-170.2	70	163	-86.2	0	0	0	0	112.6
130	A	29.8	Very low	29.1	Very low	68 Å²	68	157 Å²	157	56%	0.562	81%	0.809	S	S	*	*			trans	-130.1	-28.6	169.8	0	0	0	0	0	113.9	K132	A130-K132 PolarHBondContact O-N 2.93Å
131	E	31.4	Very low	29.2	Very low	144 Å²	144	154.6 Å²	154.6	67%	0.673	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	40.1	-167.7	-153.8	50.9	-119.8	0	0	114.7
132	K	31.5	Very low	29.2	Very low	200 Å²	200	149.1 Å²	149.1	87%	0.87	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	1.3	-177.5	-91.9	176.5	179.6	165.5	0	116.6	A130	A130-K132 PolarHBondContact O-N 2.93Å
133	N	29	Very low	29.5	Very low	154 Å²	154	150 Å²	150	82%	0.824	81%	0.809	S	S	*	*	S	Bend	trans	-121.4	5.4	-179.2	-109.6	-7.5	0	0	0	116.4
134	R	32.8	Very low	29.7	Very low	208 Å²	208	146.3 Å²	146.3	79%	0.785	80%	0.804	S	S	*	*	S	Bend	trans	-83.3	-17.6	175.3	-84	179.4	165	153.6	-4.8	115.2	K136	R134-K136 VanDerWaalsContact C-N 3.27Å; R134-K136 PolarHBondContact O-N 2.72Å
135	N	35.5	Very low	29.9	Very low	163 Å²	163	150.2 Å²	150.2	87%	0.872	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	36.1	-174.7	-76.8	-8.2	0	0	0	115.6
136	K	31.8	Very low	30.2	Very low	188 Å²	188	153 Å²	153	82%	0.817	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.2	26.8	-179.7	-83.9	-164.3	178.6	179.1	0	117	R134	R134-K136 VanDerWaalsContact C-N 3.27Å; R134-K136 PolarHBondContact O-N 2.72Å
137	L	32.8	Very low	30.6	Very low	167 Å²	167	154.4 Å²	154.4	87%	0.874	82%	0.819	S	S	*	*	S	Bend	trans	-147.3	34	164.5	-144.4	74.2	0	0	0	117.5
138	V	30.8	Very low	30.8	Very low	145 Å²	145	147.2 Å²	147.2	88%	0.879	81%	0.812	S	S	*	*			trans	-129.3	84.1	165.6	-174.1	0	0	0	0	109.5
139	K	31.3	Very low	30.8	Very low	217 Å²	217	150 Å²	150	94%	0.943	82%	0.817	S	S	*	*			trans	-157.4	36.1	176.9	-129	170.5	-171.9	174.7	0	116.6
140	A	27.6	Very low	30.8	Very low	102 Å²	102	151 Å²	151	84%	0.843	82%	0.818	S	S	*	*			trans	-152.8	146.2	159.8	0	0	0	0	0	108.7
141	A	26.3	Very low	31	Very low	97 Å²	97	154.8 Å²	154.8	80%	0.802	83%	0.833	S	S	*	*			cis	-129.7	139.6	-2.2	0	0	0	0	0	111.1
142	S	26.3	Very low	31	Very low	98 Å²	98	157 Å²	157	69%	0.685	84%	0.841	S	S	*	*			trans	-117.6	115.2	166	174.2	0	0	0	0	107.7	S144	S142-S144 VanDerWaalsContact C-N 3.29Å; S142-S144 PolarHBondContact O-N 3.33Å
143	T	30.5	Very low	30.7	Very low	133 Å²	133	155.3 Å²	155.3	82%	0.816	84%	0.841	S	S	*	*			trans	-85.9	3	-173.8	39.6	0	0	0	0	113.6	K145	T143-K145 PolarHBondContact O-N 2.88Å
144	S	31.7	Very low	31	Very low	105 Å²	105	153 Å²	153	73%	0.734	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	25.7	-174.5	-45.5	0	0	0	0	115.5	S142	S142-S144 VanDerWaalsContact C-N 3.29Å; S142-S144 PolarHBondContact O-N 3.33Å
145	K	30	Very low	30.8	Very low	194 Å²	194	148.9 Å²	148.9	84%	0.843	84%	0.837	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	19.8	-175	-74.1	-167	173.8	-179.6	0	116.5	T143	T143-K145 PolarHBondContact O-N 2.88Å
146	L	30.1	Very low	30.8	Very low	164 Å²	164	148.7 Å²	148.7	86%	0.859	83%	0.829	S	S	*	*	S	Bend	trans	-115.8	5.1	177.8	-89.6	168.3	0	0	0	116.2
147	L	33.3	Very low	30.7	Very low	182 Å²	182	148.9 Å²	148.9	95%	0.953	83%	0.832	S	S	*	*	S	Bend	trans	-113.1	33	-178.6	-67.7	177.3	0	0	0	114.4
148	A	31.7	Very low	30.5	Very low	94 Å²	94	150.3 Å²	150.3	78%	0.777	83%	0.831	S	S	*	*	S	Bend	trans	-131	32.3	-176.7	0	0	0	0	0	114.5
149	K	31.8	Very low	30.3	Very low	204 Å²	204	150.7 Å²	150.7	89%	0.887	83%	0.828	S	S	*	*	S	Bend	trans	-155	21.5	175.4	-128.4	169.9	-172	176.8	0	119.7
150	V	30.2	Very low	30.1	Very low	145 Å²	145	145.6 Å²	145.6	88%	0.879	82%	0.817	S	S	*	*			trans	-132	74.6	171.1	-167.6	0	0	0	0	111.8
151	V	34.3	Very low	30.3	Very low	146 Å²	146	147.7 Å²	147.7	89%	0.885	82%	0.82	S	S	*	*			trans	-133.7	79.2	160.2	-176.3	0	0	0	0	108.4
152	K	31.7	Very low	30.3	Very low	191 Å²	191	149.2 Å²	149.2	83%	0.83	82%	0.818	S	S	*	*			trans	-172.2	101.4	159.5	-111.3	171.4	-175.1	-178.9	0	110.2
153	N	25.3	Very low	30.3	Very low	164 Å²	164	149.9 Å²	149.9	88%	0.877	82%	0.823	S	S	*	*			trans	147.3	99.9	145.6	-77.3	1.2	0	0	0	109.4
154	A	34.7	Very low	30.2	Very low	106 Å²	106	151.9 Å²	151.9	88%	0.876	82%	0.823	S	S	*	*			trans	-95.7	117	157.2	0	0	0	0	0	107.5
155	D	29.7	Very low	29.9	Very low	122 Å²	122	151.7 Å²	151.7	65%	0.652	83%	0.828	S	S	*	*				-167.6	154.8	124.6	-140	-18.6	0	0	0	112.3
156	K	35.8	Very low	29.8	Very low	159 Å²	159	151.3 Å²	151.3	69%	0.691	83%	0.826	S	S	*	*			trans	29.2	114.6	161.7	-66.8	139.4	-170.6	147.6	0	119.6
157	H	28.5	Very low	29.8	Very low	191 Å²	191	152.8 Å²	152.8	88%	0.884	83%	0.831	S	S	*	*				-158.2	165.7	111	-112.2	-83.4	0	0	0	110.6
158	K	30.1	Very low	29.6	Very low	197 Å²	197	147.9 Å²	147.9	86%	0.857	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.6	137.6	-175.1	-70.2	-179.5	175.4	179.8	0	112.7
159	D	26	Very low	30.1	Very low	154 Å²	154	147.6 Å²	147.6	82%	0.824	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.1	142	169.3	-62.3	-61.5	0	0	0	113.1
160	P	26.5	Very low	30.3	Very low	109 Å²	109	146.5 Å²	146.5	71%	0.708	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81	134.9	159	33.1	-30.5	0	0	0	110.3	V162	P160-V162 PolarHBondContact O-N 3.22Å; P160-V162 VanDerWaalsContact O-N 3.15Å
161	V	32.3	Very low	31	Very low	147 Å²	147	148.6 Å²	148.6	89%	0.891	79%	0.791	S	S	*	*			trans	-70.1	112.2	-177.8	178.9	0	0	0	0	111.1
162	V	26.4	Very low	31	Very low	128 Å²	128	148.4 Å²	148.4	78%	0.776	78%	0.779	S	S	*	*			trans	-112	123.4	163.9	-179.8	0	0	0	0	108.3	P160 Q164	P160-V162 PolarHBondContact O-N 3.22Å; P160-V162 VanDerWaalsContact O-N 3.15Å; V162-Q164 PolarHBondContact O-N 2.73Å; V162-Q164 VanDerWaalsContact O-N 3.13Å
163	S	26.8	Very low	31.4	Very low	112 Å²	112	145.9 Å²	145.9	78%	0.783	77%	0.774	S	S	*	*			trans	-74.4	102.6	-170.5	55.4	0	0	0	0	112.6	A165	S163-A165 PolarHBondContact O-N 2.7Å
164	Q	27.6	Very low	32.1	Very low	175 Å²	175	141 Å²	141	82%	0.818	75%	0.753	S	S	*	*			trans	-63.6	122.4	163.9	-74.4	-177.3	-21.1	0	0	110.3	V162 K166	V162-Q164 PolarHBondContact O-N 2.73Å; V162-Q164 VanDerWaalsContact O-N 3.13Å; Q164-K166 PolarHBondContact O-N 3.38Å; Q164-K166 VanDerWaalsContact O-N 3.12Å
165	A	25.3	Very low	32.6	Very low	102 Å²	102	143.2 Å²	143.2	84%	0.843	75%	0.749	S	S	*	*			trans	-71.9	101.8	169.4	0	0	0	0	0	109.3	S163 M167	S163-A165 PolarHBondContact O-N 2.7Å; A165-M167 PolarHBondContact O-N 2.7Å
166	K	27.2	Very low	33.1	Very low	185 Å²	185	141.6 Å²	141.6	80%	0.804	75%	0.753	S	S	*	*			trans	-67.5	123.5	176	-64.6	-178.5	178.4	-176.9	0	110	Q164 S168	Q164-K166 PolarHBondContact O-N 3.38Å; Q164-K166 VanDerWaalsContact O-N 3.12Å; K166-S168 PolarHBondContact O-N 2.91Å
167	M	30.2	Very low	33.7	Very low	196 Å²	196	140.4 Å²	140.4	97%	0.966	75%	0.75	S	S	*	*			trans	-71.7	85.1	158.3	-70.2	-162.9	-63.3	0	0	108.7	A165	A165-M167 PolarHBondContact O-N 2.7Å
168	S	30.7	Very low	35.1	Very low	79 Å²	79	134.2 Å²	134.2	55%	0.552	74%	0.738	S	S	*	*			trans	-83.2	137.5	164.2	59.9	0	0	0	0	109.6	K166 R170	K166-S168 PolarHBondContact O-N 2.91Å; S168-R170 PolarHBondContact O-N 3.16Å
169	T	40.4	Very low	37.6	Very low	87 Å²	87	128.3 Å²	128.3	53%	0.534	72%	0.716	S	S	.	*			trans	-57.6	92.7	153.9	41	0	0	0	0	108.2	E171 E741	T169-E171 PolarHBondContact O-N 3.22Å; T169-E741 WeakPolarHBondContact CB-OE1 3.49Å; T169-E741 HydrophobicContact CG2-CG 3.97Å; T169-E741 WeakPolarHBondContact CG2-OE1 3.42Å; T169-E741 PolarHBondContact OG1-OE1 3.37Å
170	R	36.9	Very low	40.6	Very low	181 Å²	181	121.6 Å²	121.6	68%	0.683	68%	0.681	S	S	*	*			trans	-85	91.5	-165	-175.2	-177.9	140.2	152.4	-1.5	109.8	S168 K172	S168-R170 PolarHBondContact O-N 3.16Å; R170-K172 HydrophobicContact CG-CB 3.98Å; R170-K172 HydrophobicContact CG-CD 4.31Å; R170-K172 HydrophobicContact CG-CG 4.03Å; R170-K172 PolarHBondContact O-N 3.15Å
171	E	45.3	Very low	43.7	Very low	189 Å²	189	116.8 Å²	116.8	88%	0.883	65%	0.649	S	S	*	*			trans	-61.6	23.9	175.1	-157.3	168.3	-121.4	0	0	114.8	T169	T169-E171 PolarHBondContact O-N 3.22Å
172	K	34.5	Very low	46.5	Very low	142 Å²	142	113.4 Å²	113.4	62%	0.617	62%	0.622	S	S	*	*			trans	-99.8	110.1	-178.4	-66.2	-171.7	170.6	-173.4	0	111.4	R170	R170-K172 HydrophobicContact CG-CB 3.98Å; R170-K172 HydrophobicContact CG-CD 4.31Å; R170-K172 HydrophobicContact CG-CG 4.03Å; R170-K172 PolarHBondContact O-N 3.15Å
173	N	39.2	Very low	49.7	Very low	138 Å²	138	107.8 Å²	107.8	74%	0.738	59%	0.588	S	S	*	*			trans	78.9	65.8	157.4	-52.4	31.2	0	0	0	116.7
174	S	40.5	Very low	52.6	Low	63 Å²	63	108.8 Å²	108.8	44%	0.441	58%	0.578	S	S	.	*	S	Bend	trans	-91.4	-22.8	149.2	55.2	0	0	0	0	112.9	A176 E177 G178	S174-A176 PolarHBondContact O-N 3Å; S174-E177 PolarHBondContact O-N 3.18Å; S174-G178 PolarHBondContact O-N 2.97Å
175	L	44.5	Very low	55.5	Low	151 Å²	151	100.7 Å²	100.7	79%	0.791	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	2.7	178.4	-72.6	167.7	0	0	0	115.5
176	A	41.3	Very low	58.3	Low	89 Å²	89	103.3 Å²	103.3	74%	0.736	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.1	169.5	0	0	0	0	0	113.6	S174	S174-A176 PolarHBondContact O-N 3Å
177	E	48.5	Very low	61	Low	133 Å²	133	97.2 Å²	97.2	62%	0.621	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-5.6	179.4	-66.9	-175.7	137.8	0	0	113.5	S174 N179 K182	S174-E177 PolarHBondContact O-N 3.18Å; E177-N179 PolarHBondContact O-N 2.79Å; E177-K182 IonicContact OE2-NZ 3.44Å; E177-K182 PolarHBondContact OE2-NZ 3.12Å
178	G	57.4	Low	63.7	Low	61 Å²	61	92.3 Å²	92.3	63%	0.629	49%	0.489	S	S	*	.	S	Bend	trans	69.4	-30.4	161.3	0	0	0	0	0	119	S174	S174-G178 PolarHBondContact O-N 2.97Å
179	N	81.9	Confident	66.5	Low	74 Å²	74	92.1 Å²	92.1	40%	0.396	49%	0.486	S	S	.	.	S	Bend	trans	-125.8	16.1	-163	-161.5	11.5	0	0	0	114	E177 I194	E177-N179 PolarHBondContact O-N 2.79Å; N179-I194 PolarHBondContact O-N 3.26Å; N179-I194 PolarHBondContact OD1-O 3.02Å
180	S	89.3	Confident	69.1	Low	13 Å²	13	88.2 Å²	88.2	9%	0.091	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	151.8	177.8	68.1	0	0	0	0	114.6	M192	S180-M192 CarbonylContact C-O 3.58Å; S180-M192 VanDerWaalsContact CA-O 3.26Å; S180-M192 WeakPolarHBondContact CA-O 3.48Å; S180-M192 WeakPolarHBondContact CB-O 3.21Å
181	I	91.7	Very high	71.8	Confident	8 Å²	8	81 Å²	81	4%	0.041	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.4	171.4	-61.6	178.1	0	0	0	108.4	T191 M192 I194 Y201 Y733 F736 F779	I181-T191 WeakPolarHBondContact O-CA 3.36Å; I181-M192 HydrophobicContact CG2-CE 4.45Å; I181-M192 PolarHBondContact N-O 2.78Å; I181-M192 PolarHBondContact O-N 3.3Å; I181-I194 HydrophobicContact CD1-CG1 4.5Å; I181-I194 HydrophobicContact CG1-CD1 4.19Å; I181-I194 HydrophobicContact CG1-CG1 4.13Å; I181-Y201 HydrophobicContact CD1-CD2 3.95Å; I181-Y201 HydrophobicContact CD1-CE1 4.19Å; I181-Y201 HydrophobicContact CD1-CE2 3.33Å; I181-Y201 VanDerWaalsContact CD1-CZ 3.47Å; I181-Y201 HydrophobicContact CG1-CE2 4.5Å; I181-Y733 HydrophobicContact CD1-CD2 4.08Å; I181-Y733 HydrophobicContact CD1-CE2 3.55Å; I181-Y733 HydrophobicContact CG1-CE2 4.44Å; I181-F736 HydrophobicContact CD1-CE1 3.88Å; I181-F736 HydrophobicContact CD1-CZ 3.8Å; I181-F736 HydrophobicContact CG2-CE1 4.44Å; I181-F736 HydrophobicContact CG2-CE2 4.21Å; I181-F736 HydrophobicContact CG2-CZ 3.99Å; I181-F779 HydrophobicContact CG2-CE2 4Å; I181-F779 HydrophobicContact CG2-CZ 3.83Å
182	K	91.8	Very high	74.1	Confident	76 Å²	76	72.3 Å²	72.3	33%	0.33	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	107.8	179.1	-66	171.6	-172	165.8	0	109.2	E177 F184 I190 T191	E177-K182 IonicContact OE2-NZ 3.44Å; E177-K182 PolarHBondContact OE2-NZ 3.12Å; K182-F184 HydrophobicContact CB-CE2 4.33Å; K182-I190 WeakPolarHBondContact CA-O 3.32Å; K182-T191 HydrophobicContact CG-CG2 4.13Å
183	M	91.7	Very high	77	Confident	9 Å²	9	67.9 Å²	67.9	4%	0.044	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	158.2	167.8	-176	164.6	77.5	0	0	109.1	M185 P189 I190 M192 L731 F736 W739 F779	M183-M185 HydrophobicContact CE-CG 4.07Å; M183-M185 HydrophobicContact CE-SD 3.85Å; M183-M185 HydrophobicContact CG-CG 4.5Å; M183-M185 HydrophobicContact CG-SD 3.95Å; M183-M185 HydrophobicContact SD-SD 4.09Å; M183-P189 CarbonylContact O-C 3.5Å; M183-P189 WeakPolarHBondContact O-CA 3.07Å; M183-I190 HydrophobicContact CB-CB 4.47Å; M183-I190 HydrophobicContact CE-CD1 4.11Å; M183-I190 PolarHBondContact N-O 3.23Å; M183-I190 PolarHBondContact O-N 2.82Å; M183-M192 HydrophobicContact CB-CE 3.73Å; M183-L731 HydrophobicContact CE-CD2 3.68Å; M183-F736 HydrophobicContact CE-CB 4.37Å; M183-F736 HydrophobicContact SD-CB 4.05Å; M183-F736 HydrophobicContact SD-CD2 4.34Å; M183-W739 HydrophobicContact CE-CG 3.98Å; M183-W739 HydrophobicContact SD-CB 3.99Å; M183-W739 HydrophobicContact SD-CG 4.02Å; M183-F779 HydrophobicContact CB-CE1 4.06Å; M183-F779 HydrophobicContact CB-CZ 4.45Å; M183-F779 HydrophobicContact CG-CE1 4.06Å; M183-F779 HydrophobicContact SD-CE1 4.49Å
184	F	89.3	Confident	79.6	Confident	134 Å²	134	62.1 Å²	62.1	59%	0.588	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.6	-179.3	-69.3	-96.9	0	0	0	110.5	K182 R188 P189	K182-F184 HydrophobicContact CB-CE2 4.33Å; F184-R188 WeakPolarHBondContact CA-O 3.43Å; F184-P189 HydrophobicContact CD1-CB 4.1Å; F184-P189 HydrophobicContact CE1-CB 3.77Å; F184-P189 HydrophobicContact CZ-CB 4.31Å
185	M	88.1	Confident	82.2	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.025	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.1	179.1	-53.3	-55	-72.4	0	0	108.7	M183 G187 R188 I190 Y699 W739 S743	M183-M185 HydrophobicContact CE-CG 4.07Å; M183-M185 HydrophobicContact CE-SD 3.85Å; M183-M185 HydrophobicContact CG-CG 4.5Å; M183-M185 HydrophobicContact CG-SD 3.95Å; M183-M185 HydrophobicContact SD-SD 4.09Å; M185-G187 PolarHBondContact O-N 3.28Å; M185-R188 PolarHBondContact N-O 2.91Å; M185-R188 VanDerWaalsContact N-O 3.08Å; M185-R188 PolarHBondContact O-N 3.46Å; M185-I190 HydrophobicContact CB-CD1 4.03Å; M185-I190 HydrophobicContact CG-CD1 3.32Å; M185-I190 HydrophobicContact CG-CG1 4.23Å; M185-Y699 HydrophobicContact CB-CD2 4.31Å; M185-Y699 HydrophobicContact CB-CG 4.41Å; M185-W739 HydrophobicContact CE-CD2 3.76Å; M185-W739 HydrophobicContact CE-CE3 3.38Å; M185-W739 HydrophobicContact CE-CG 4.4Å; M185-W739 HydrophobicContact CE-CH2 4.3Å; M185-W739 HydrophobicContact CE-CZ3 3.69Å; M185-S743 WeakPolarHBondContact CE-OG 3.31Å
186	R	83.9	Confident	84.5	Confident	156 Å²	156	56.1 Å²	56.1	59%	0.589	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	26.2	-170.1	-66.9	173.5	173.7	159.9	2.7	113.9	Y699 D744 T746	R186-Y699 PolarHBondContact NH1-OH 2.79Å; R186-D744 WeakPolarHBondContact CD-O 3.49Å; R186-D744 HydrophobicContact CG-CB 4.04Å; R186-D744 VanDerWaalsContact CG-O 3.25Å; R186-D744 WeakPolarHBondContact CG-O 3.42Å; R186-D744 IonicContact CZ-OD2 2.74Å; R186-D744 PolarHBondContact NE-O 3.28Å; R186-D744 IonicContact NE-OD2 2.57Å; R186-D744 PolarHBondContact NE-OD2 2.96Å; R186-D744 IonicContact NH2-OD1 3.26Å; R186-D744 IonicContact NH2-OD2 2.69Å; R186-D744 PolarHBondContact NH2-OD2 3.08Å; R186-T746 PolarHBondContact NH2-OG1 2.97Å
187	G	83.4	Confident	86.8	Confident	58 Å²	58	58 Å²	58	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	-12.8	-175.8	0	0	0	0	0	116.4	M185	M185-G187 PolarHBondContact O-N 3.28Å
188	R	87	Confident	88.7	Confident	93 Å²	93	53.4 Å²	53.4	35%	0.351	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.2	174.2	-170.9	-179.9	-172.4	145.9	-2.8	109.7	F184 M185 I190 D698 E700	F184-R188 WeakPolarHBondContact CA-O 3.43Å; M185-R188 PolarHBondContact N-O 2.91Å; M185-R188 VanDerWaalsContact N-O 3.08Å; M185-R188 PolarHBondContact O-N 3.46Å; R188-I190 PolarHBondContact O-N 3.4Å; R188-D698 VanDerWaalsContact CD-O 3.32Å; R188-D698 WeakPolarHBondContact CD-O 3.39Å; R188-D698 IonicContact CZ-OD2 2.67Å; R188-D698 PolarHBondContact NE-O 2.91Å; R188-D698 VanDerWaalsContact NH1-CG 3.28Å; R188-D698 PolarHBondContact NH1-O 2.9Å; R188-D698 IonicContact NH1-OD2 2.71Å; R188-D698 PolarHBondContact NH1-OD2 2.93Å; R188-D698 IonicContact NH2-OD2 3.68Å; R188-D698 PolarHBondContact NH2-OD2 2.79Å; R188-E700 IonicContact CZ-OE1 2.62Å; R188-E700 IonicContact NH2-OE1 3.25Å; R188-E700 PolarHBondContact NH2-OE1 2.75Å
189	P	90.8	Very high	90	Very high	75 Å²	75	59.8 Å²	59.8	49%	0.487	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.4	178.4	29.8	-32.8	0	0	0	111.8	M183 F184 T191	M183-P189 CarbonylContact O-C 3.5Å; M183-P189 WeakPolarHBondContact O-CA 3.07Å; F184-P189 HydrophobicContact CD1-CB 4.1Å; F184-P189 HydrophobicContact CE1-CB 3.77Å; F184-P189 HydrophobicContact CZ-CB 4.31Å; P189-T191 PolarHBondContact O-N 3.15Å
190	I	93.4	Very high	90.2	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	102.5	172.6	-52.2	-179.5	0	0	0	108.1	K182 M183 M185 R188 M192 Y699 I701 L731	K182-I190 WeakPolarHBondContact CA-O 3.32Å; M183-I190 HydrophobicContact CB-CB 4.47Å; M183-I190 HydrophobicContact CE-CD1 4.11Å; M183-I190 PolarHBondContact N-O 3.23Å; M183-I190 PolarHBondContact O-N 2.82Å; M185-I190 HydrophobicContact CB-CD1 4.03Å; M185-I190 HydrophobicContact CG-CD1 3.32Å; M185-I190 HydrophobicContact CG-CG1 4.23Å; R188-I190 PolarHBondContact O-N 3.4Å; I190-M192 HydrophobicContact CG2-CG 4.42Å; I190-Y699 HydrophobicContact CD1-CG 4.45Å; I190-I701 HydrophobicContact CG2-CD1 3.85Å; I190-I701 HydrophobicContact CG2-CG1 4.28Å; I190-L731 HydrophobicContact CD1-CD1 4.09Å; I190-L731 HydrophobicContact CD1-CD2 3.78Å
191	T	93.8	Very high	90	Very high	30 Å²	30	61.2 Å²	61.2	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.4	176.2	-53.2	0	0	0	0	110.4	I181 K182 P189 F193 R716	I181-T191 WeakPolarHBondContact O-CA 3.36Å; K182-T191 HydrophobicContact CG-CG2 4.13Å; P189-T191 PolarHBondContact O-N 3.15Å; T191-F193 HydrophobicContact CG2-CZ 4.43Å; T191-R716 PolarHBondContact O-NH2 3.34Å
192	M	94.7	Very high	89.7	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.03	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.3	175.5	-65.2	166.3	-70.5	0	0	108.5	S180 I181 M183 I190 I701 G732 F736	S180-M192 CarbonylContact C-O 3.58Å; S180-M192 VanDerWaalsContact CA-O 3.26Å; S180-M192 WeakPolarHBondContact CA-O 3.48Å; S180-M192 WeakPolarHBondContact CB-O 3.21Å; I181-M192 HydrophobicContact CG2-CE 4.45Å; I181-M192 PolarHBondContact N-O 2.78Å; I181-M192 PolarHBondContact O-N 3.3Å; M183-M192 HydrophobicContact CB-CE 3.73Å; I190-M192 HydrophobicContact CG2-CG 4.42Å; M192-I701 HydrophobicContact CG-CD1 3.65Å; M192-I701 HydrophobicContact SD-CD1 4.32Å; M192-G732 VanDerWaalsContact SD-C 3.59Å; M192-F736 HydrophobicContact CE-CB 3.65Å; M192-F736 HydrophobicContact CE-CD1 3.97Å; M192-F736 HydrophobicContact CE-CD2 4.16Å; M192-F736 HydrophobicContact CE-CG 3.65Å; M192-F736 HydrophobicContact SD-CB 3.66Å; M192-F736 HydrophobicContact SD-CD1 4.15Å; M192-F736 HydrophobicContact SD-CG 4.09Å
193	F	94.4	Very high	89.4	Confident	48 Å²	48	67.9 Å²	67.9	21%	0.211	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	151.6	-178.5	-66.5	-84.1	0	0	0	111.1	T191 R716 K720 Y733	T191-F193 HydrophobicContact CG2-CZ 4.43Å; F193-R716 HydrophobicContact CD2-CB 4.31Å; F193-R716 HydrophobicContact CE2-CB 3.8Å; F193-K720 HydrophobicContact CB-CB 3.51Å; F193-K720 HydrophobicContact CB-CD 4.04Å; F193-K720 HydrophobicContact CB-CG 4.35Å; F193-Y733 WeakPolarHBondContact O-CD2 3.28Å
194	I	94.4	Very high	89.1	Confident	17 Å²	17	69 Å²	69	9%	0.087	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-87.7	126.6	179.7	-57.4	177.5	0	0	0	108.5	N179 I181 V198 K720 Y733	N179-I194 PolarHBondContact O-N 3.26Å; N179-I194 PolarHBondContact OD1-O 3.02Å; I181-I194 HydrophobicContact CD1-CG1 4.5Å; I181-I194 HydrophobicContact CG1-CD1 4.19Å; I181-I194 HydrophobicContact CG1-CG1 4.13Å; I194-V198 HydrophobicContact CG2-CB 3.85Å; I194-V198 HydrophobicContact CG2-CG1 4.11Å; I194-K720 WeakPolarHBondContact O-CD 3.07Å; I194-K720 PolarHBondContact O-NZ 3.3Å; I194-Y733 HydrophobicContact CB-CE2 4.27Å; I194-Y733 HydrophobicContact CG1-CE2 3.98Å; I194-Y733 HydrophobicContact CG2-CE2 4.18Å
195	P	94.2	Very high	88.9	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.032	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-57.7	149.9	173.9	-28	37.5	0	0	0	113.5	D197 V198 D721 Y733	P195-D197 VanDerWaalsContact C-N 3.25Å; P195-D197 WeakPolarHBondContact CB-OD1 3.22Å; P195-D197 PolarHBondContact O-N 2.97Å; P195-V198 HydrophobicContact CB-CG2 4.31Å; P195-V198 PolarHBondContact O-N 3.47Å; P195-D721 WeakPolarHBondContact CA-OD1 3.45Å; P195-Y733 HydrophobicContact CG-CD1 3.56Å; P195-Y733 HydrophobicContact CG-CE1 3.83Å; P195-Y733 HydrophobicContact CG-CG 4.15Å
196	S	92.5	Very high	89	Confident	83 Å²	83	72.8 Å²	72.8	58%	0.58	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.1	-172.6	-69	0	0	0	0	113.8	K720 D721	S196-K720 PolarHBondContact OG-NZ 2.74Å; S196-D721 WeakPolarHBondContact CB-OD1 3.36Å; S196-D721 WeakPolarHBondContact CB-OD2 3.41Å; S196-D721 PolarHBondContact N-OD1 2.96Å; S196-D721 VanDerWaalsContact OG-CG 3.24Å; S196-D721 PolarHBondContact OG-OD1 3.33Å; S196-D721 VanDerWaalsContact OG-OD1 3.14Å; S196-D721 PolarHBondContact OG-OD2 3.39Å
197	D	89.8	Confident	89.4	Confident	130 Å²	130	71 Å²	71	70%	0.695	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.3	174.5	62.9	-36.3	0	0	0	113.2	P195 E199	P195-D197 VanDerWaalsContact C-N 3.25Å; P195-D197 WeakPolarHBondContact CB-OD1 3.22Å; P195-D197 PolarHBondContact O-N 2.97Å; D197-E199 PolarHBondContact O-N 3.05Å
198	V	89.8	Confident	90	Very high	36 Å²	36	72.3 Å²	72.3	22%	0.218	37%	0.366	C	S	.	.			trans	-89.7	78.7	175.9	-174.4	0	0	0	0	110.1	I194 P195 N200 V204 Y733	I194-V198 HydrophobicContact CG2-CB 3.85Å; I194-V198 HydrophobicContact CG2-CG1 4.11Å; P195-V198 HydrophobicContact CB-CG2 4.31Å; P195-V198 PolarHBondContact O-N 3.47Å; V198-N200 VanDerWaalsContact C-N 3.31Å; V198-N200 PolarHBondContact O-N 3.25Å; V198-V204 HydrophobicContact CG1-CG2 3.75Å; V198-Y733 HydrophobicContact CG2-CE1 4.36Å
199	E	83.7	Confident	90.4	Very high	195 Å²	195	68.1 Å²	68.1	91%	0.911	35%	0.351	S	S	*	.	S	Bend	trans	-56.1	-41.2	-179.5	-63.8	-172.3	166.1	0	0	113.4	D197	D197-E199 PolarHBondContact O-N 3.05Å
200	N	85.6	Confident	90.6	Very high	75 Å²	75	67.1 Å²	67.1	40%	0.401	34%	0.344	S	S	.	.			trans	-134.8	112.4	175.6	-178.4	18.8	0	0	0	110.8	V198 E202 D203	V198-N200 VanDerWaalsContact C-N 3.31Å; V198-N200 PolarHBondContact O-N 3.25Å; N200-E202 PolarHBondContact O-N 3.33Å; N200-E202 PolarHBondContact OD1-N 2.92Å; N200-D203 PolarHBondContact ND2-OD2 2.96Å; N200-D203 PolarHBondContact O-N 2.6Å
201	Y	86.8	Confident	90.8	Very high	42 Å²	42	67.6 Å²	67.6	17%	0.165	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-60	-26.7	175	176.9	-118	0	0	0	113	I181 D203 V204 S777 R778	I181-Y201 HydrophobicContact CD1-CD2 3.95Å; I181-Y201 HydrophobicContact CD1-CE1 4.19Å; I181-Y201 HydrophobicContact CD1-CE2 3.33Å; I181-Y201 VanDerWaalsContact CD1-CZ 3.47Å; I181-Y201 HydrophobicContact CG1-CE2 4.5Å; Y201-D203 VanDerWaalsContact C-N 3.33Å; Y201-D203 PolarHBondContact O-N 3Å; Y201-V204 HydrophobicContact CD2-CG2 4.27Å; Y201-V204 WeakPolarHBondContact O-CB 3.36Å; Y201-V204 WeakPolarHBondContact O-CG2 3.38Å; Y201-V204 PolarHBondContact O-N 3.29Å; Y201-S777 WeakPolarHBondContact CE2-O 3.37Å; Y201-R778 PolarHBondContact O-NE 3.08Å; Y201-R778 PolarHBondContact O-NH2 2.67Å; Y201-R778 WeakPolarHBondContact OH-CD 3.47Å
202	E	84.8	Confident	91	Very high	104 Å²	104	71.6 Å²	71.6	49%	0.486	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-75	-20.1	-177.3	-61.1	-55	164.1	0	0	114.8	N200 V204 R778	N200-E202 PolarHBondContact O-N 3.33Å; N200-E202 PolarHBondContact OD1-N 2.92Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-R778 VanDerWaalsContact CA-NH2 3.35Å; E202-R778 PolarHBondContact O-NH2 2.94Å; E202-R778 IonicContact OE1-NH1 3.71Å; E202-R778 IonicContact OE2-CZ 3.24Å; E202-R778 VanDerWaalsContact OE2-CZ 3.28Å; E202-R778 IonicContact OE2-NH1 2.97Å; E202-R778 PolarHBondContact OE2-NH1 2.79Å; E202-R778 IonicContact OE2-NH2 3.97Å; E202-R778 PolarHBondContact OE2-NH2 2.97Å
203	D	84.9	Confident	91.2	Very high	119 Å²	119	71.8 Å²	71.8	64%	0.636	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-82.1	-12.5	173.5	-69.3	-52.7	0	0	0	113	N200 Y201 R205	N200-D203 PolarHBondContact ND2-OD2 2.96Å; N200-D203 PolarHBondContact O-N 2.6Å; Y201-D203 VanDerWaalsContact C-N 3.33Å; Y201-D203 PolarHBondContact O-N 3Å; D203-R205 PolarHBondContact O-N 2.89Å
204	V	86.1	Confident	91.4	Very high	32 Å²	32	75.7 Å²	75.7	19%	0.194	38%	0.376	C	S	.	.			trans	-64.4	129.5	174.2	-176.5	0	0	0	0	109.5	V198 Y201 E202 R778	V198-V204 HydrophobicContact CG1-CG2 3.75Å; Y201-V204 HydrophobicContact CD2-CG2 4.27Å; Y201-V204 WeakPolarHBondContact O-CB 3.36Å; Y201-V204 WeakPolarHBondContact O-CG2 3.38Å; Y201-V204 PolarHBondContact O-N 3.29Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-R778 HydrophobicContact CB-CG 4.44Å; V204-R778 HydrophobicContact CG1-CG 4.05Å; V204-R778 PolarHBondContact O-NE 2.59Å; V204-R778 PolarHBondContact O-NH2 2.94Å
205	R	85.9	Confident	91.6	Very high	184 Å²	184	75.5 Å²	75.5	69%	0.694	38%	0.375	S	S	*	.			trans	-116.6	154	178.8	-59.3	-174.3	-175.9	-173.7	1.1	111.5	D203 E207	D203-R205 PolarHBondContact O-N 2.89Å; R205-E207 HydrophobicContact CB-CG 4.29Å; R205-E207 VanDerWaalsContact CD-OE1 3.27Å; R205-E207 WeakPolarHBondContact CD-OE1 3.42Å; R205-E207 IonicContact NH1-OE1 3.64Å
206	A	88.3	Confident	91.8	Very high	36 Å²	36	76.6 Å²	76.6	30%	0.298	38%	0.38	S	S	.	.			trans	-119.8	106.1	166.1	0	0	0	0	0	108.6	R778 A781 P782	A206-R778 HydrophobicContact CB-CB 4.07Å; A206-A781 HydrophobicContact CB-CB 3.76Å; A206-P782 WeakPolarHBondContact O-CD 3.4Å
207	E	92.7	Very high	92.1	Very high	118 Å²	118	73.1 Å²	73.1	55%	0.551	35%	0.354	S	S	*	.			trans	-114.7	160.2	180	-61.3	-173.9	-169.6	0	0	109.7	R205	R205-E207 HydrophobicContact CB-CG 4.29Å; R205-E207 VanDerWaalsContact CD-OE1 3.27Å; R205-E207 WeakPolarHBondContact CD-OE1 3.42Å; R205-E207 IonicContact NH1-OE1 3.64Å
208	L	95.9	Very high	92.5	Very high	85 Å²	85	67 Å²	67	45%	0.445	32%	0.321	S	S	.	.			trans	-68.3	137.6	175.8	-78.5	170.3	0	0	0	110	P782 S783	L208-P782 HydrophobicContact CD2-CB 3.77Å; L208-P782 HydrophobicContact CD2-CG 4.31Å; L208-P782 HydrophobicContact CG-CB 3.88Å; L208-P782 HydrophobicContact CG-CG 4.13Å; L208-S783 VanDerWaalsContact CD2-C 3.44Å
209	P	96.1	Very high	92.9	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.032	31%	0.312	C	S	.	.			trans	-64.4	142.7	175.2	27.6	-33.2	0	0	0	110.4	E211 V759 L771 A773 H784	P209-E211 PolarHBondContact O-N 3.18Å; P209-V759 HydrophobicContact CB-CG1 3.74Å; P209-V759 HydrophobicContact CG-CG1 4.46Å; P209-L771 HydrophobicContact CG-CD2 4.2Å; P209-L771 HydrophobicContact CG-CG 4.2Å; P209-A773 HydrophobicContact CB-CB 4.32Å; P209-H784 PolarHBondContact O-NE2 2.78Å
210	P	95.8	Very high	93.5	Very high	55 Å²	55	56.2 Å²	56.2	36%	0.357	27%	0.268	S	S	.	.	S	Bend	trans	-71.5	-20.1	173	27.2	-31.3	0	0	0	112.4	K823	P210-K823 WeakPolarHBondContact O-CB 3.34Å; P210-K823 PolarHBondContact O-N 3.48Å
211	E	96.9	Very high	94.2	Very high	15 Å²	15	52.6 Å²	52.6	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	149.1	166.9	-62.3	69.9	-150.5	0	0	111.9	P209 V759 L771 H784 L820 R822	P209-E211 PolarHBondContact O-N 3.18Å; E211-V759 HydrophobicContact CB-CG1 4.19Å; E211-L771 HydrophobicContact CB-CD2 4.35Å; E211-L771 WeakPolarHBondContact O-CD2 3.38Å; E211-H784 PolarHBondContact O-CD2 3.13Å; E211-H784 PolarHBondContact O-NE2 2.97Å; E211-L820 HydrophobicContact CB-CD1 3.92Å; E211-L820 HydrophobicContact CB-CG 4.28Å; E211-R822 HydrophobicContact CG-CB 4.46Å; E211-R822 HydrophobicContact CG-CG 4.23Å; E211-R822 WeakPolarHBondContact OE1-CD 3.48Å; E211-R822 IonicContact OE1-CZ 3.71Å; E211-R822 IonicContact OE1-NE 3.28Å; E211-R822 PolarHBondContact OE1-NE 3.28Å; E211-R822 IonicContact OE1-NH2 2.83Å
212	R	97.9	Very high	94.7	Very high	113 Å²	113	52.4 Å²	52.4	43%	0.426	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.2	178.1	-72	177.8	172.1	-100.5	-7.1	110	H784 Y786 L820 V821	R212-H784 PolarHBondContact NH2-CE1 2.7Å; R212-H784 VanDerWaalsContact NH2-CE1 3.31Å; R212-H784 PolarHBondContact NH2-ND1 2.85Å; R212-Y786 WeakPolarHBondContact CA-OH 3.29Å; R212-L820 CarbonylContact O-C 3.6Å; R212-L820 WeakPolarHBondContact O-CA 3.46Å; R212-V821 HydrophobicContact CB-CG2 4.19Å; R212-V821 PolarHBondContact N-O 2.84Å; R212-V821 WeakPolarHBondContact O-CG2 3.43Å; R212-V821 PolarHBondContact O-N 2.86Å
213	L	98.4	Very high	95.2	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.3	169.4	-60.6	-179.5	0	0	0	109.8	V769 L771 Y786 L805 W818 R819 L820	L213-V769 HydrophobicContact CD1-CG1 3.65Å; L213-L771 HydrophobicContact CG-CD2 4.38Å; L213-Y786 HydrophobicContact CB-CD1 4.12Å; L213-Y786 HydrophobicContact CB-CD2 4.13Å; L213-Y786 HydrophobicContact CB-CE1 3.79Å; L213-Y786 HydrophobicContact CB-CE2 3.81Å; L213-Y786 HydrophobicContact CB-CG 4.29Å; L213-Y786 HydrophobicContact CD1-CD2 3.83Å; L213-Y786 HydrophobicContact CD1-CE2 3.81Å; L213-Y786 HydrophobicContact CG-CD2 4.3Å; L213-Y786 HydrophobicContact CG-CE2 3.86Å; L213-Y786 PolarHBondContact N-OH 2.88Å; L213-Y786 WeakPolarHBondContact O-CE1 3.37Å; L213-L805 HydrophobicContact CD1-CD2 3.66Å; L213-L805 HydrophobicContact CD2-CB 4.1Å; L213-L805 HydrophobicContact CD2-CD2 4.48Å; L213-W818 HydrophobicContact CB-CB 4.06Å; L213-W818 HydrophobicContact CB-CE3 4.29Å; L213-W818 HydrophobicContact CD1-CB 4.26Å; L213-W818 HydrophobicContact CD1-CG 4.37Å; L213-W818 HydrophobicContact CD2-CB 4.09Å; L213-W818 HydrophobicContact CG-CB 4.36Å; L213-R819 WeakPolarHBondContact CA-O 3.12Å; L213-L820 HydrophobicContact CD2-CD1 3.8Å
214	K	98.2	Very high	95.7	Very high	131 Å²	131	47.3 Å²	47.3	57%	0.57	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.2	164.5	-174.9	-154.3	167.6	-163.3	0	107.4	E216 W818 R819 V821	K214-E216 PolarHBondContact O-N 3.07Å; K214-W818 CarbonylContact O-C 3.43Å; K214-W818 VanDerWaalsContact O-CA 3.28Å; K214-W818 WeakPolarHBondContact O-CA 3.48Å; K214-R819 PolarHBondContact N-O 2.93Å; K214-R819 PolarHBondContact O-N 2.65Å; K214-V821 HydrophobicContact CB-CG2 4.29Å
215	L	98.7	Very high	96	Very high	13 Å²	13	49.5 Å²	49.5	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	136.7	171.6	-173.3	63.9	0	0	0	109.4	V218 H258 L260 A788 M816 W818	L215-V218 HydrophobicContact CD1-CG2 4.1Å; L215-V218 HydrophobicContact CD2-CG2 3.9Å; L215-V218 HydrophobicContact CG-CG2 4.31Å; L215-H258 HydrophobicContact CD2-CB 3.96Å; L215-L260 HydrophobicContact CD2-CD1 4.25Å; L215-L260 HydrophobicContact CD2-CD2 3.72Å; L215-L260 HydrophobicContact CD2-CG 4.48Å; L215-A788 HydrophobicContact CD2-CB 4.23Å; L215-M816 HydrophobicContact CD1-CB 3.92Å; L215-M816 HydrophobicContact CD1-CG 4.39Å; L215-M816 HydrophobicContact CD1-SD 4.3Å; L215-W818 HydrophobicContact CB-CE3 3.87Å; L215-W818 HydrophobicContact CB-CZ3 3.89Å; L215-W818 HydrophobicContact CD1-CD2 4.03Å; L215-W818 HydrophobicContact CD1-CE3 4.01Å; L215-W818 HydrophobicContact CD1-CH2 4.28Å; L215-W818 HydrophobicContact CD1-CZ2 4.29Å; L215-W818 HydrophobicContact CD1-CZ3 4.13Å; L215-W818 HydrophobicContact CG-CZ3 4.5Å
216	E	98.4	Very high	96.4	Very high	27 Å²	27	40.9 Å²	40.9	13%	0.126	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	-43	-175.3	174.1	168.3	97.8	0	0	112.2	K214 H258 H580 H804 Q817 R819	K214-E216 PolarHBondContact O-N 3.07Å; E216-H258 PolarHBondContact O-CE1 2.81Å; E216-H258 VanDerWaalsContact O-CE1 3.23Å; E216-H580 IonicContact OE1-CE1 2.72Å; E216-H804 IonicContact OE1-CD2 3.11Å; E216-H804 PolarHBondContact OE1-CD2 3.45Å; E216-H804 VanDerWaalsContact OE1-CD2 3.24Å; E216-H804 IonicContact OE1-CE1 3.55Å; E216-H804 IonicContact OE1-NE2 2.67Å; E216-H804 PolarHBondContact OE1-NE2 2.95Å; E216-H804 IonicContact OE2-NE2 2.78Å; E216-Q817 PolarHBondContact N-O 2.91Å; E216-Q817 PolarHBondContact OE1-NE2 2.93Å; E216-R819 IonicContact OE1-NH2 3.66Å; E216-R819 IonicContact OE2-CZ 3.37Å; E216-R819 IonicContact OE2-NE 3.96Å; E216-R819 PolarHBondContact OE2-NE 3.34Å; E216-R819 IonicContact OE2-NH2 3.91Å; E216-R819 PolarHBondContact OE2-NH2 2.96Å
217	W	98.8	Very high	96.7	Very high	11 Å²	11	41.6 Å²	41.6	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.7	176.6	-151.8	-98.2	0	0	0	111.9	Y219 F249 R254 Q256 H580 M816 Q817	W217-Y219 HydrophobicContact CB-CE2 4.12Å; W217-Y219 AromaticContact CD1-CD1 3.72Å; W217-Y219 AromaticContact CD1-CD2 3.7Å; W217-Y219 AromaticContact CD1-CE1 3.61Å; W217-Y219 AromaticContact CD1-CE2 3.58Å; W217-Y219 AromaticContact CD1-CG 3.76Å; W217-Y219 AromaticContact CD1-CZ 3.53Å; W217-Y219 HydrophobicContact CG-CE2 4.17Å; W217-Y219 AromaticContact NE1-CD1 3.92Å; W217-Y219 AromaticContact NE1-CE1 3.89Å; W217-F249 AromaticContact CH2-CD2 3.85Å; W217-F249 HydrophobicContact CH2-CD2 3.85Å; W217-F249 AromaticContact CH2-CE2 3.51Å; W217-F249 HydrophobicContact CH2-CE2 3.51Å; W217-F249 HydrophobicContact CH2-CZ 4.35Å; W217-F249 HydrophobicContact CZ2-CD2 4.21Å; W217-F249 AromaticContact CZ2-CE2 3.84Å; W217-F249 HydrophobicContact CZ2-CE2 3.84Å; W217-F249 HydrophobicContact CZ2-CZ 4.3Å; W217-R254 VanDerWaalsContact CZ3-O 3.28Å; W217-R254 WeakPolarHBondContact CZ3-O 3.49Å; W217-Q256 VanDerWaalsContact CD2-CD 3.5Å; W217-Q256 HydrophobicContact CD2-CG 3.88Å; W217-Q256 HydrophobicContact CE3-CB 3.93Å; W217-Q256 HydrophobicContact CE3-CG 3.63Å; W217-Q256 HydrophobicContact CH2-CG 3.9Å; W217-Q256 HydrophobicContact CZ2-CG 4.08Å; W217-Q256 HydrophobicContact CZ3-CB 4.1Å; W217-Q256 HydrophobicContact CZ3-CG 3.66Å; W217-H580 HydrophobicContact CD2-CB 3.62Å; W217-H580 AromaticContact CD2-CD2 3.59Å; W217-H580 AromaticContact CD2-CG 3.37Å; W217-H580 AromaticContact CD2-ND1 3.75Å; W217-H580 AromaticContact CE2-CG 3.68Å; W217-H580 HydrophobicContact CE3-CB 4.13Å; W217-H580 AromaticContact CE3-CD2 3.17Å; W217-H580 AromaticContact CE3-CE1 3.92Å; W217-H580 AromaticContact CE3-CG 3.51Å; W217-H580 AromaticContact CE3-ND1 3.96Å; W217-H580 AromaticContact CE3-NE2 3.46Å; W217-H580 HydrophobicContact CG-CB 4Å; W217-H580 AromaticContact CG-CG 3.75Å; W217-H580 AromaticContact CG-ND1 3.67Å; W217-H580 HydrophobicContact CH2-CB 4.07Å; W217-H580 AromaticContact CH2-CD2 3.75Å; W217-H580 HydrophobicContact CZ2-CB 3.61Å; W217-H580 HydrophobicContact CZ3-CB 4.31Å; W217-H580 AromaticContact CZ3-CD2 3.25Å; W217-H580 WeakPolarHBondContact CZ3-CD2 3.22Å; W217-H580 AromaticContact CZ3-CG 3.88Å; W217-H580 AromaticContact CZ3-NE2 3.82Å; W217-M816 WeakPolarHBondContact O-CA 3.16Å; W217-Q817 HydrophobicContact CB-CB 4.01Å; W217-Q817 PolarHBondContact N-O 3.09Å; W217-Q817 PolarHBondContact O-N 2.88Å
218	V	98.8	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.4	167.9	-175.2	0	0	0	0	107.6	L215 I242 V245 V247 Q256 V815 M816	L215-V218 HydrophobicContact CD1-CG2 4.1Å; L215-V218 HydrophobicContact CD2-CG2 3.9Å; L215-V218 HydrophobicContact CG-CG2 4.31Å; V218-I242 HydrophobicContact CG1-CG2 3.37Å; V218-V245 HydrophobicContact CG2-CG1 4.37Å; V218-V247 HydrophobicContact CB-CG2 4.23Å; V218-Q256 PolarHBondContact O-NE2 2.7Å; V218-V815 WeakPolarHBondContact CA-O 3.28Å; V218-M816 HydrophobicContact CG1-CE 4.12Å; V218-M816 HydrophobicContact CG1-CG 4.27Å; V218-M816 HydrophobicContact CG2-CE 4.44Å; V218-M816 HydrophobicContact CG2-CG 4.19Å; V218-M816 HydrophobicContact CG2-SD 4.39Å
219	Y	98.6	Very high	96.6	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.02	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	144	175	-55	-98.9	0	0	0	109.4	W217 F563 W575 H580 V815 Q817	W217-Y219 HydrophobicContact CB-CE2 4.12Å; W217-Y219 AromaticContact CD1-CD1 3.72Å; W217-Y219 AromaticContact CD1-CD2 3.7Å; W217-Y219 AromaticContact CD1-CE1 3.61Å; W217-Y219 AromaticContact CD1-CE2 3.58Å; W217-Y219 AromaticContact CD1-CG 3.76Å; W217-Y219 AromaticContact CD1-CZ 3.53Å; W217-Y219 HydrophobicContact CG-CE2 4.17Å; W217-Y219 AromaticContact NE1-CD1 3.92Å; W217-Y219 AromaticContact NE1-CE1 3.89Å; Y219-F563 HydrophobicContact CD2-CZ 4.23Å; Y219-F563 HydrophobicContact CE1-CZ 4.37Å; Y219-F563 HydrophobicContact CE2-CE1 4.21Å; Y219-F563 AromaticContact CE2-CZ 3.67Å; Y219-F563 HydrophobicContact CE2-CZ 3.67Å; Y219-F563 AromaticContact CZ-CZ 3.75Å; Y219-W575 HydrophobicContact CD1-CD2 4.31Å; Y219-W575 AromaticContact CD1-CE3 3.75Å; Y219-W575 HydrophobicContact CD1-CE3 3.75Å; Y219-W575 AromaticContact CD1-CZ3 3.91Å; Y219-W575 HydrophobicContact CD1-CZ3 3.91Å; Y219-W575 HydrophobicContact CE1-CE3 4.01Å; Y219-H580 HydrophobicContact CE1-CB 4.09Å; Y219-H580 PolarHBondContact OH-ND1 2.87Å; Y219-V815 HydrophobicContact CD2-CB 3.96Å; Y219-V815 HydrophobicContact CD2-CG1 4.16Å; Y219-V815 HydrophobicContact CG-CB 4.39Å; Y219-V815 PolarHBondContact N-O 3.49Å; Y219-Q817 HydrophobicContact CE2-CB 4.12Å; Y219-Q817 PolarHBondContact OH-OE1 2.86Å
220	G	97.1	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.			trans	92.4	156.8	-175.7	0	0	0	0	0	115.3	Y240 Q545	G220-Y240 WeakPolarHBondContact O-CE2 3.34Å; G220-Q545 WeakPolarHBondContact CA-O 3.47Å; G220-Q545 PolarHBondContact N-O 3.03Å
221	Y	98.4	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.157	C	C	.	.			trans	-132.5	136.2	175.4	149.1	-101.5	0	0	0	108.8	G223 N229 Y240 N529 F530 V531	Y221-G223 VanDerWaalsContact CE1-CA 3.41Å; Y221-G223 PolarHBondContact O-N 3.1Å; Y221-N229 WeakPolarHBondContact CE2-ND2 3.41Å; Y221-N229 PolarHBondContact OH-OD1 2.92Å; Y221-N229 VanDerWaalsContact OH-OD1 3.06Å; Y221-Y240 AromaticContact CD2-CD2 3.92Å; Y221-Y240 HydrophobicContact CD2-CD2 3.92Å; Y221-Y240 HydrophobicContact CD2-CG 4.11Å; Y221-N529 VanDerWaalsContact O-CA 3.26Å; Y221-N529 WeakPolarHBondContact O-CA 3.41Å; Y221-N529 WeakPolarHBondContact O-CB 3.23Å; Y221-N529 PolarHBondContact O-OD1 2.88Å; Y221-N529 VanDerWaalsContact O-OD1 3.07Å; Y221-F530 WeakPolarHBondContact CD1-O 3.4Å; Y221-V531 HydrophobicContact CD1-CG2 3.91Å; Y221-V531 HydrophobicContact CD2-CG2 3.83Å; Y221-V531 HydrophobicContact CE2-CG2 4.42Å; Y221-V531 HydrophobicContact CG-CG2 3.53Å
222	R	97.8	Very high	96.8	Very high	38 Å²	38	36 Å²	36	14%	0.143	16%	0.163	C	C	.	.			trans	-78	86.4	-178.6	-170.5	175.6	-179.8	157.9	12.1	111.7	D225 C226 N229 F241 I242 C265 I266	R222-D225 WeakPolarHBondContact CG-OD1 3.48Å; R222-D225 IonicContact CZ-OD1 3.61Å; R222-D225 IonicContact CZ-OD2 3.15Å; R222-D225 IonicContact NE-OD1 2.8Å; R222-D225 PolarHBondContact NE-OD1 3.19Å; R222-D225 IonicContact NE-OD2 2.83Å; R222-D225 PolarHBondContact NE-OD2 2.74Å; R222-D225 IonicContact NH2-OD1 3.79Å; R222-D225 IonicContact NH2-OD2 2.72Å; R222-D225 PolarHBondContact NH2-OD2 2.87Å; R222-C226 VanDerWaalsContact CD-SG 3.59Å; R222-C226 HydrophobicContact CG-CB 4.31Å; R222-C226 PolarHBondContact NE-SG 2.79Å; R222-C226 VanDerWaalsContact NE-SG 3.35Å; R222-C226 WeakPolarHBondContact O-CB 3.46Å; R222-N229 PolarHBondContact O-ND2 2.78Å; R222-F241 HydrophobicContact CB-CD2 4.26Å; R222-F241 HydrophobicContact CB-CE2 4.36Å; R222-F241 WeakPolarHBondContact CB-O 3.47Å; R222-F241 PolarHBondContact N-O 2.78Å; R222-F241 VanDerWaalsContact N-O 3.11Å; R222-I242 HydrophobicContact CB-CB 4.37Å; R222-I242 HydrophobicContact CB-CG1 4.35Å; R222-C265 VanDerWaalsContact NH1-CB 3.26Å; R222-C265 PolarHBondContact NH1-SG 3.03Å; R222-I266 PolarHBondContact NH1-O 3.4Å; R222-I266 VanDerWaalsContact NH1-O 3.16Å
223	G	96.3	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.144	C	C	.	.			trans	-107.7	-28.7	179.4	0	0	0	0	0	115.1	Y221 D225 R512 T526 N529	Y221-G223 VanDerWaalsContact CE1-CA 3.41Å; Y221-G223 PolarHBondContact O-N 3.1Å; G223-D225 VanDerWaalsContact C-N 3.34Å; G223-D225 PolarHBondContact O-N 2.83Å; G223-R512 WeakPolarHBondContact O-CG 3.33Å; G223-R512 PolarHBondContact O-NE 3.46Å; G223-R512 VanDerWaalsContact O-NE 3.14Å; G223-T526 VanDerWaalsContact CA-O 3.28Å; G223-T526 WeakPolarHBondContact CA-O 3.26Å; G223-N529 PolarHBondContact N-OD1 2.75Å
224	R	94.8	Very high	96.6	Very high	116 Å²	116	35.5 Å²	35.5	44%	0.438	18%	0.175	S	C	.	.	S	Bend	trans	-51.1	-47.9	-177.5	-179.8	168.6	170	151.5	-10.2	113.3	R512 S527 N529 T548 D549	R224-R512 PolarHBondContact O-NH2 2.86Å; R224-S527 WeakPolarHBondContact CA-O 3.32Å; R224-N529 PolarHBondContact N-OD1 2.65Å; R224-T548 WeakPolarHBondContact CD-O 3.16Å; R224-T548 PolarHBondContact NH1-O 2.78Å; R224-D549 IonicContact CZ-OD2 3.16Å; R224-D549 VanDerWaalsContact NH1-CG 3.3Å; R224-D549 IonicContact NH1-OD2 3.62Å; R224-D549 PolarHBondContact NH1-OD2 3Å; R224-D549 IonicContact NH2-OD2 2.7Å; R224-D549 PolarHBondContact NH2-OD2 2.67Å
225	D	93	Very high	96.5	Very high	77 Å²	77	33.3 Å²	33.3	41%	0.412	17%	0.172	S	C	.	.	S	Bend	trans	-119.9	3.8	-172.9	81	-39.9	0	0	0	115.1	R222 G223 K267	R222-D225 WeakPolarHBondContact CG-OD1 3.48Å; R222-D225 IonicContact CZ-OD1 3.61Å; R222-D225 IonicContact CZ-OD2 3.15Å; R222-D225 IonicContact NE-OD1 2.8Å; R222-D225 PolarHBondContact NE-OD1 3.19Å; R222-D225 IonicContact NE-OD2 2.83Å; R222-D225 PolarHBondContact NE-OD2 2.74Å; R222-D225 IonicContact NH2-OD1 3.79Å; R222-D225 IonicContact NH2-OD2 2.72Å; R222-D225 PolarHBondContact NH2-OD2 2.87Å; G223-D225 VanDerWaalsContact C-N 3.34Å; G223-D225 PolarHBondContact O-N 2.83Å; D225-K267 VanDerWaalsContact CG-NZ 3.33Å; D225-K267 PolarHBondContact O-NZ 3.47Å; D225-K267 IonicContact OD1-NZ 3.87Å; D225-K267 IonicContact OD2-NZ 3.79Å; D225-K267 PolarHBondContact OD2-NZ 3.07Å
226	C	94.3	Very high	96.3	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.027	18%	0.177	C	C	.	.			trans	-121.8	175	-177.5	-67.2	0	0	0	0	112.2	R222 F241 K267	R222-C226 VanDerWaalsContact CD-SG 3.59Å; R222-C226 HydrophobicContact CG-CB 4.31Å; R222-C226 PolarHBondContact NE-SG 2.79Å; R222-C226 VanDerWaalsContact NE-SG 3.35Å; R222-C226 WeakPolarHBondContact O-CB 3.46Å; C226-F241 HydrophobicContact CB-CE2 4.32Å; C226-F241 HydrophobicContact CB-CZ 4.38Å; C226-K267 PolarHBondContact SG-NZ 2.92Å
227	R	93.6	Very high	96.3	Very high	50 Å²	50	32.9 Å²	32.9	19%	0.189	18%	0.175	C	C	.	.			trans	-160.5	162.4	-176	68.2	-155.4	-51	-101	-0.2	111	N229 L367 Q414 F469	R227-N229 VanDerWaalsContact CA-OD1 3.22Å; R227-N229 WeakPolarHBondContact CA-OD1 3.32Å; R227-N229 PolarHBondContact N-OD1 3.24Å; R227-N229 PolarHBondContact O-N 3.01Å; R227-N229 PolarHBondContact O-OD1 3.34Å; R227-L367 PolarHBondContact NH1-O 3.37Å; R227-Q414 VanDerWaalsContact CZ-O 3.25Å; R227-Q414 PolarHBondContact NH1-O 3.18Å; R227-Q414 PolarHBondContact NH2-O 3.34Å; R227-F469 HydrophobicContact CB-CE1 3.68Å; R227-F469 HydrophobicContact CB-CZ 4.15Å; R227-F469 PolarHBondContact NH2-O 2.95Å
228	A	90	Very high	96.3	Very high	53 Å²	53	32.4 Å²	32.4	44%	0.438	17%	0.173	S	C	.	.	S	Bend	trans	50.6	41.8	179.2	0	0	0	0	0	113.2	Y231	A228-Y231 VanDerWaalsContact O-CE2 3.28Å; A228-Y231 WeakPolarHBondContact O-CE2 3.27Å; A228-Y231 PolarHBondContact O-OH 2.88Å
229	N	96.6	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.			trans	-133.6	27.7	-168.3	61.7	-48.4	0	0	0	114	Y221 R222 R227 Y240 F241	Y221-N229 WeakPolarHBondContact CE2-ND2 3.41Å; Y221-N229 PolarHBondContact OH-OD1 2.92Å; Y221-N229 VanDerWaalsContact OH-OD1 3.06Å; R222-N229 PolarHBondContact O-ND2 2.78Å; R227-N229 VanDerWaalsContact CA-OD1 3.22Å; R227-N229 WeakPolarHBondContact CA-OD1 3.32Å; R227-N229 PolarHBondContact N-OD1 3.24Å; R227-N229 PolarHBondContact O-N 3.01Å; R227-N229 PolarHBondContact O-OD1 3.34Å; N229-Y240 WeakPolarHBondContact O-CA 3.3Å; N229-Y240 WeakPolarHBondContact O-CB 3.4Å; N229-F241 HydrophobicContact CB-CD1 4.08Å; N229-F241 HydrophobicContact CB-CE1 3.31Å; N229-F241 HydrophobicContact CB-CE2 4.45Å; N229-F241 HydrophobicContact CB-CZ 3.52Å
230	V	97.9	Very high	96.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136	162.4	71.5	0	0	0	0	108.3	I238 V239 A513 A515 L523 V531	V230-I238 HydrophobicContact CG2-CG2 3.65Å; V230-V239 WeakPolarHBondContact CA-O 3.16Å; V230-A513 HydrophobicContact CG1-CB 3.8Å; V230-A515 HydrophobicContact CG1-CB 4.49Å; V230-L523 HydrophobicContact CG2-CD1 4.46Å; V230-V531 HydrophobicContact CG2-CG1 3.96Å; V230-V531 HydrophobicContact CG2-CG2 4.44Å
231	Y	97.8	Very high	96.4	Very high	67 Å²	67	32.1 Å²	32.1	26%	0.263	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.9	178.6	-61.6	-87	0	0	0	109.9	A228 I238 V239 L269 I271	A228-Y231 VanDerWaalsContact O-CE2 3.28Å; A228-Y231 WeakPolarHBondContact O-CE2 3.27Å; A228-Y231 PolarHBondContact O-OH 2.88Å; Y231-I238 CarbonylContact O-C 3.37Å; Y231-I238 WeakPolarHBondContact O-CA 2.87Å; Y231-V239 PolarHBondContact N-O 2.96Å; Y231-V239 PolarHBondContact O-N 2.99Å; Y231-L269 HydrophobicContact CD2-CD2 3.66Å; Y231-L269 HydrophobicContact CD2-CG 4.1Å; Y231-L269 HydrophobicContact CE2-CD2 3.84Å; Y231-L269 HydrophobicContact CE2-CG 3.92Å; Y231-I271 HydrophobicContact CD1-CG1 4.07Å; Y231-I271 HydrophobicContact CD2-CD1 4.28Å; Y231-I271 HydrophobicContact CD2-CG1 4.07Å; Y231-I271 HydrophobicContact CG-CD1 4.33Å; Y231-I271 HydrophobicContact CG-CG1 3.77Å
232	L	97.7	Very high	96.4	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.2	166.9	-172.4	65.4	0	0	0	110	G236 I238 Y251 K518 L523	L232-G236 WeakPolarHBondContact CD1-O 3.38Å; L232-I238 HydrophobicContact CD1-CG1 4.08Å; L232-Y251 HydrophobicContact CD1-CE1 4.48Å; L232-K518 HydrophobicContact CD2-CB 4.39Å; L232-L523 HydrophobicContact CB-CD1 4.02Å
233	L	97.3	Very high	96.4	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.031	17%	0.166	C	C	.	.			trans	-85	157.9	170.9	-68.6	-176.1	0	0	0	111.7	T235 G236 E237 V239 L248 I271 I278	L233-T235 WeakPolarHBondContact CB-OG1 3.26Å; L233-T235 PolarHBondContact O-N 2.84Å; L233-G236 PolarHBondContact O-N 2.8Å; L233-E237 PolarHBondContact N-O 3.01Å; L233-V239 HydrophobicContact CD1-CG2 3.55Å; L233-V239 HydrophobicContact CD2-CG2 4.33Å; L233-V239 HydrophobicContact CG-CG2 3.59Å; L233-L248 HydrophobicContact CD1-CD2 4.09Å; L233-I271 HydrophobicContact CD2-CD1 4.31Å; L233-I271 HydrophobicContact CD2-CG2 4.19Å; L233-I278 HydrophobicContact CD1-CD1 4.45Å; L233-I278 HydrophobicContact CD2-CD1 4.47Å
234	P	95.1	Very high	96.5	Very high	106 Å²	106	30.5 Å²	30.5	69%	0.688	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-13.9	171.3	-23.1	34.3	0	0	0	114.7	G236 K275	P234-G236 VanDerWaalsContact C-N 3.25Å; P234-K275 HydrophobicContact CG-CB 3.58Å; P234-K275 HydrophobicContact CG-CG 4.12Å
235	T	95.3	Very high	96.7	Very high	85 Å²	85	25 Å²	25	52%	0.521	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.3	172	51.6	0	0	0	0	113.7	L233 E237	L233-T235 WeakPolarHBondContact CB-OG1 3.26Å; L233-T235 PolarHBondContact O-N 2.84Å; T235-E237 VanDerWaalsContact C-N 3.3Å; T235-E237 WeakPolarHBondContact CB-OE2 3.48Å; T235-E237 WeakPolarHBondContact OG1-CG 3.36Å; T235-E237 PolarHBondContact OG1-N 2.88Å; T235-E237 PolarHBondContact OG1-OE2 3.09Å
236	G	95.6	Very high	97	Very high	16 Å²	16	21.3 Å²	21.3	17%	0.165	13%	0.126	C	C	.	.	S	Bend	trans	86.6	-3.4	-169.8	0	0	0	0	0	113.8	L232 L233 P234	L232-G236 WeakPolarHBondContact CD1-O 3.38Å; L233-G236 PolarHBondContact O-N 2.8Å; P234-G236 VanDerWaalsContact C-N 3.25Å
237	E	98.1	Very high	97.2	Very high	16 Å²	16	21.1 Å²	21.1	8%	0.075	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.8	-179.6	-63.1	169.7	104.3	0	0	112	L233 T235 L248 F249 R257	L233-E237 PolarHBondContact N-O 3.01Å; T235-E237 VanDerWaalsContact C-N 3.3Å; T235-E237 WeakPolarHBondContact CB-OE2 3.48Å; T235-E237 WeakPolarHBondContact OG1-CG 3.36Å; T235-E237 PolarHBondContact OG1-N 2.88Å; T235-E237 PolarHBondContact OG1-OE2 3.09Å; E237-L248 HydrophobicContact CB-CB 4.35Å; E237-F249 CarbonylContact C-O 3.52Å; E237-F249 WeakPolarHBondContact CA-O 3.44Å; E237-R257 IonicContact OE1-CZ 3.62Å; E237-R257 IonicContact OE1-NE 3.88Å; E237-R257 PolarHBondContact OE1-NE 3.1Å; E237-R257 IonicContact OE1-NH2 2.67Å; E237-R257 PolarHBondContact OE1-NH2 3.38Å; E237-R257 IonicContact OE2-CZ 3.47Å; E237-R257 IonicContact OE2-NH2 2.74Å; E237-R257 PolarHBondContact OE2-NH2 3.44Å
238	I	98.5	Very high	97.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.8	168.8	-54.4	175.4	0	0	0	108.1	V230 Y231 L232 Y240 F249 Y251 L523	V230-I238 HydrophobicContact CG2-CG2 3.65Å; Y231-I238 CarbonylContact O-C 3.37Å; Y231-I238 WeakPolarHBondContact O-CA 2.87Å; L232-I238 HydrophobicContact CD1-CG1 4.08Å; I238-Y240 HydrophobicContact CG2-CD1 4.18Å; I238-F249 HydrophobicContact CD1-CD1 4.48Å; I238-F249 PolarHBondContact N-O 3Å; I238-F249 PolarHBondContact O-N 2.91Å; I238-Y251 HydrophobicContact CD1-CD1 3.77Å; I238-Y251 HydrophobicContact CD1-CE1 4.37Å; I238-Y251 HydrophobicContact CD1-CG 4.46Å; I238-Y251 HydrophobicContact CG1-CD1 3.98Å; I238-Y251 HydrophobicContact CG1-CE1 4.38Å; I238-L523 HydrophobicContact CB-CD1 4.48Å; I238-L523 HydrophobicContact CD1-CD1 4.18Å; I238-L523 HydrophobicContact CD1-CD2 3.94Å; I238-L523 HydrophobicContact CG1-CD1 3.89Å; I238-L523 HydrophobicContact CG1-CD2 4.5Å; I238-L523 HydrophobicContact CG2-CD1 3.98Å
239	V	98.7	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.6	177.5	-177.8	0	0	0	0	111	V230 Y231 L233 V247 L248 L269 I278	V230-V239 WeakPolarHBondContact CA-O 3.16Å; Y231-V239 PolarHBondContact N-O 2.96Å; Y231-V239 PolarHBondContact O-N 2.99Å; L233-V239 HydrophobicContact CD1-CG2 3.55Å; L233-V239 HydrophobicContact CD2-CG2 4.33Å; L233-V239 HydrophobicContact CG-CG2 3.59Å; V239-V247 WeakPolarHBondContact CA-O 3.27Å; V239-L248 HydrophobicContact CG2-CB 4.27Å; V239-L248 HydrophobicContact CG2-CD2 4.1Å; V239-L248 HydrophobicContact CG2-CG 3.96Å; V239-L269 HydrophobicContact CG1-CD1 4.42Å; V239-L269 HydrophobicContact CG1-CD2 4.07Å; V239-I278 HydrophobicContact CG1-CD1 4.21Å; V239-I278 HydrophobicContact CG2-CD1 4.42Å
240	Y	98.8	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	-173.7	175.9	63.6	-86.8	0	0	0	110.7	G220 Y221 N229 I238 A246 V247 F249 Q256 V544	G220-Y240 WeakPolarHBondContact O-CE2 3.34Å; Y221-Y240 AromaticContact CD2-CD2 3.92Å; Y221-Y240 HydrophobicContact CD2-CD2 3.92Å; Y221-Y240 HydrophobicContact CD2-CG 4.11Å; N229-Y240 WeakPolarHBondContact O-CA 3.3Å; N229-Y240 WeakPolarHBondContact O-CB 3.4Å; I238-Y240 HydrophobicContact CG2-CD1 4.18Å; Y240-A246 CarbonylContact O-C 3.53Å; Y240-A246 WeakPolarHBondContact O-CA 3.22Å; Y240-V247 HydrophobicContact CD1-CB 4.41Å; Y240-V247 HydrophobicContact CD2-CB 4.3Å; Y240-V247 HydrophobicContact CD2-CG2 4.47Å; Y240-V247 HydrophobicContact CE1-CB 4.04Å; Y240-V247 HydrophobicContact CE1-CG1 3.97Å; Y240-V247 HydrophobicContact CE2-CB 3.91Å; Y240-V247 HydrophobicContact CE2-CG1 4.35Å; Y240-V247 HydrophobicContact CE2-CG2 3.95Å; Y240-V247 PolarHBondContact N-O 3.31Å; Y240-V247 VanDerWaalsContact N-O 3.09Å; Y240-V247 PolarHBondContact O-N 2.93Å; Y240-F249 HydrophobicContact CE1-CB 4.04Å; Y240-F249 HydrophobicContact CE1-CD1 4.4Å; Y240-Q256 PolarHBondContact OH-NE2 2.82Å; Y240-V544 HydrophobicContact CE1-CG2 3.93Å; Y240-V544 HydrophobicContact CE2-CG1 4.37Å
241	F	98.8	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.6	172	58	-102.5	0	0	0	113.3	R222 C226 N229 V245 I266 K267 L269	R222-F241 HydrophobicContact CB-CD2 4.26Å; R222-F241 HydrophobicContact CB-CE2 4.36Å; R222-F241 WeakPolarHBondContact CB-O 3.47Å; R222-F241 PolarHBondContact N-O 2.78Å; R222-F241 VanDerWaalsContact N-O 3.11Å; C226-F241 HydrophobicContact CB-CE2 4.32Å; C226-F241 HydrophobicContact CB-CZ 4.38Å; N229-F241 HydrophobicContact CB-CD1 4.08Å; N229-F241 HydrophobicContact CB-CE1 3.31Å; N229-F241 HydrophobicContact CB-CE2 4.45Å; N229-F241 HydrophobicContact CB-CZ 3.52Å; F241-V245 VanDerWaalsContact CA-O 3.23Å; F241-V245 WeakPolarHBondContact CA-O 3.4Å; F241-V245 WeakPolarHBondContact CB-O 3.28Å; F241-I266 HydrophobicContact CB-CB 4.04Å; F241-I266 HydrophobicContact CB-CD1 4.17Å; F241-I266 HydrophobicContact CB-CG2 4Å; F241-I266 HydrophobicContact CD1-CB 4.41Å; F241-I266 HydrophobicContact CD1-CG2 3.57Å; F241-I266 HydrophobicContact CD2-CB 3.88Å; F241-I266 HydrophobicContact CD2-CG2 3.85Å; F241-I266 HydrophobicContact CE1-CG2 3.91Å; F241-I266 HydrophobicContact CE2-CB 4.45Å; F241-I266 HydrophobicContact CE2-CG2 4.19Å; F241-I266 VanDerWaalsContact CE2-O 3.29Å; F241-I266 WeakPolarHBondContact CE2-O 3.38Å; F241-I266 HydrophobicContact CG-CB 3.87Å; F241-I266 HydrophobicContact CG-CG2 3.54Å; F241-I266 HydrophobicContact CZ-CG2 4.23Å; F241-K267 VanDerWaalsContact CZ-C 3.47Å; F241-K267 WeakPolarHBondContact CZ-O 3.38Å; F241-L269 HydrophobicContact CD1-CB 3.87Å; F241-L269 HydrophobicContact CD1-CD2 4.25Å; F241-L269 HydrophobicContact CE1-CB 3.63Å
242	I	98.6	Very high	97.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	151.3	166	-170.9	169.4	0	0	0	108.2	V218 R222 S244 V245	V218-I242 HydrophobicContact CG1-CG2 3.37Å; R222-I242 HydrophobicContact CB-CB 4.37Å; R222-I242 HydrophobicContact CB-CG1 4.35Å; I242-S244 PolarHBondContact O-N 2.85Å; I242-V245 PolarHBondContact N-O 3.44Å; I242-V245 VanDerWaalsContact N-O 3.1Å; I242-V245 PolarHBondContact O-N 3.41Å; I242-V245 VanDerWaalsContact O-O 3.04Å
243	A	98.3	Very high	97.3	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	-133.7	-170.4	0	0	0	0	0	112.3	V245 C265 I266 A788 S790 D812 M816	A243-V245 VanDerWaalsContact C-N 3.34Å; A243-C265 WeakPolarHBondContact O-CA 3.38Å; A243-I266 PolarHBondContact O-N 2.83Å; A243-A788 WeakPolarHBondContact CB-O 3.39Å; A243-S790 VanDerWaalsContact C-OG 3.25Å; A243-S790 WeakPolarHBondContact CA-OG 3.49Å; A243-D812 HydrophobicContact CB-CB 3.84Å; A243-D812 WeakPolarHBondContact CB-OD2 3.39Å; A243-M816 HydrophobicContact CB-CE 3.87Å
244	S	98	Very high	97.2	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9.7	171.4	70.3	0	0	0	0	114	I242 D264 A788	I242-S244 PolarHBondContact O-N 2.85Å; S244-D264 WeakPolarHBondContact CA-O 3.17Å; S244-D264 WeakPolarHBondContact CB-O 3.49Å; S244-A788 PolarHBondContact N-O 3.4Å; S244-A788 VanDerWaalsContact OG-C 3.28Å; S244-A788 PolarHBondContact OG-O 3.14Å
245	V	98.8	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128	-173.1	-171.8	0	0	0	0	111.1	V218 F241 I242 A243 V247 H258 L260 A788 M816	V218-V245 HydrophobicContact CG2-CG1 4.37Å; F241-V245 VanDerWaalsContact CA-O 3.23Å; F241-V245 WeakPolarHBondContact CA-O 3.4Å; F241-V245 WeakPolarHBondContact CB-O 3.28Å; I242-V245 PolarHBondContact N-O 3.44Å; I242-V245 VanDerWaalsContact N-O 3.1Å; I242-V245 PolarHBondContact O-N 3.41Å; I242-V245 VanDerWaalsContact O-O 3.04Å; A243-V245 VanDerWaalsContact C-N 3.34Å; V245-V247 HydrophobicContact CG1-CG2 3.91Å; V245-H258 HydrophobicContact CG1-CB 3.94Å; V245-L260 HydrophobicContact CB-CD2 4.33Å; V245-L260 HydrophobicContact CG1-CD2 3.96Å; V245-L260 HydrophobicContact CG2-CD2 3.68Å; V245-A788 HydrophobicContact CG2-CB 3.65Å; V245-A788 WeakPolarHBondContact CG2-O 3.32Å; V245-M816 HydrophobicContact CG2-CE 3.85Å
246	A	98.8	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.1	157.1	0	0	0	0	0	108.8	Y240 Y259 I266 T280 W300	Y240-A246 CarbonylContact O-C 3.53Å; Y240-A246 WeakPolarHBondContact O-CA 3.22Å; A246-Y259 HydrophobicContact CB-CD1 4.4Å; A246-Y259 PolarHBondContact N-O 3.1Å; A246-Y259 PolarHBondContact O-N 2.87Å; A246-I266 HydrophobicContact CB-CD1 3.91Å; A246-T280 HydrophobicContact CB-CG2 4.44Å; A246-W300 HydrophobicContact CB-CH2 4.08Å; A246-W300 HydrophobicContact CB-CZ2 3.62Å
247	V	98.9	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136	-176.1	-174.3	0	0	0	0	108.3	V218 V239 Y240 V245 F249 Q256	V218-V247 HydrophobicContact CB-CG2 4.23Å; V239-V247 WeakPolarHBondContact CA-O 3.27Å; Y240-V247 HydrophobicContact CD1-CB 4.41Å; Y240-V247 HydrophobicContact CD2-CB 4.3Å; Y240-V247 HydrophobicContact CD2-CG2 4.47Å; Y240-V247 HydrophobicContact CE1-CB 4.04Å; Y240-V247 HydrophobicContact CE1-CG1 3.97Å; Y240-V247 HydrophobicContact CE2-CB 3.91Å; Y240-V247 HydrophobicContact CE2-CG1 4.35Å; Y240-V247 HydrophobicContact CE2-CG2 3.95Å; Y240-V247 PolarHBondContact N-O 3.31Å; Y240-V247 VanDerWaalsContact N-O 3.09Å; Y240-V247 PolarHBondContact O-N 2.93Å; V245-V247 HydrophobicContact CG1-CG2 3.91Å; V247-F249 HydrophobicContact CG1-CB 4.35Å; V247-Q256 HydrophobicContact CG1-CB 4.3Å; V247-Q256 HydrophobicContact CG1-CG 3.81Å
248	L	98.8	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.6	167.8	-48.8	87.6	0	0	0	106.3	L233 E237 V239 Q256 R257 W300 L305	L233-L248 HydrophobicContact CD1-CD2 4.09Å; E237-L248 HydrophobicContact CB-CB 4.35Å; V239-L248 HydrophobicContact CG2-CB 4.27Å; V239-L248 HydrophobicContact CG2-CD2 4.1Å; V239-L248 HydrophobicContact CG2-CG 3.96Å; L248-Q256 CarbonylContact O-C 3.48Å; L248-Q256 WeakPolarHBondContact O-CA 3.38Å; L248-R257 HydrophobicContact CB-CB 4.35Å; L248-R257 HydrophobicContact CD1-CB 4.34Å; L248-R257 WeakPolarHBondContact CD1-O 3.49Å; L248-R257 PolarHBondContact N-O 2.79Å; L248-R257 PolarHBondContact O-N 3.29Å; L248-W300 HydrophobicContact CD1-CH2 3.95Å; L248-W300 HydrophobicContact CD1-CZ3 4.03Å; L248-W300 HydrophobicContact CD2-CH2 4.34Å; L248-W300 HydrophobicContact CD2-CZ3 4.2Å; L248-W300 HydrophobicContact CG-CH2 4.35Å; L248-L305 HydrophobicContact CD1-CD2 3.69Å; L248-L305 HydrophobicContact CD2-CD2 4.29Å
249	F	98.6	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.7	-168.7	170.3	-143.3	0	0	0	110.8	W217 E237 I238 Y240 V247 Y251 Q256 E543 V544	W217-F249 AromaticContact CH2-CD2 3.85Å; W217-F249 HydrophobicContact CH2-CD2 3.85Å; W217-F249 AromaticContact CH2-CE2 3.51Å; W217-F249 HydrophobicContact CH2-CE2 3.51Å; W217-F249 HydrophobicContact CH2-CZ 4.35Å; W217-F249 HydrophobicContact CZ2-CD2 4.21Å; W217-F249 AromaticContact CZ2-CE2 3.84Å; W217-F249 HydrophobicContact CZ2-CE2 3.84Å; W217-F249 HydrophobicContact CZ2-CZ 4.3Å; E237-F249 CarbonylContact C-O 3.52Å; E237-F249 WeakPolarHBondContact CA-O 3.44Å; I238-F249 HydrophobicContact CD1-CD1 4.48Å; I238-F249 PolarHBondContact N-O 3Å; I238-F249 PolarHBondContact O-N 2.91Å; Y240-F249 HydrophobicContact CE1-CB 4.04Å; Y240-F249 HydrophobicContact CE1-CD1 4.4Å; V247-F249 HydrophobicContact CG1-CB 4.35Å; F249-Y251 PolarHBondContact O-N 3.2Å; F249-Q256 HydrophobicContact CB-CG 4.13Å; F249-Q256 HydrophobicContact CD2-CG 4.02Å; F249-Q256 HydrophobicContact CG-CG 4.32Å; F249-E543 HydrophobicContact CE1-CB 4.12Å; F249-E543 WeakPolarHBondContact CE1-O 3.42Å; F249-V544 HydrophobicContact CD1-CG2 3.76Å; F249-V544 HydrophobicContact CE1-CG2 3.83Å
250	S	97.5	Very high	97.6	Very high	11 Å²	11	30.6 Å²	30.6	8%	0.077	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	105.5	168.5	178.8	0	0	0	0	108.4	E253 R254 T255	S250-E253 WeakPolarHBondContact OG-CB 3.34Å; S250-E253 WeakPolarHBondContact OG-CG 3.27Å; S250-E253 PolarHBondContact OG-N 2.77Å; S250-E253 PolarHBondContact OG-OE2 3.28Å; S250-E253 VanDerWaalsContact OG-OE2 3.1Å; S250-R254 WeakPolarHBondContact O-CA 3.46Å; S250-R254 PolarHBondContact O-N 2.82Å; S250-T255 PolarHBondContact N-O 3.47Å; S250-T255 PolarHBondContact O-N 3.31Å; S250-T255 VanDerWaalsContact O-N 3.07Å
251	Y	93.3	Very high	97.5	Very high	19 Å²	19	31.4 Å²	31.4	8%	0.075	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-26.1	179.2	64.8	-86.6	0	0	0	112.4	L232 I238 F249 R254	L232-Y251 HydrophobicContact CD1-CE1 4.48Å; I238-Y251 HydrophobicContact CD1-CD1 3.77Å; I238-Y251 HydrophobicContact CD1-CE1 4.37Å; I238-Y251 HydrophobicContact CD1-CG 4.46Å; I238-Y251 HydrophobicContact CG1-CD1 3.98Å; I238-Y251 HydrophobicContact CG1-CE1 4.38Å; F249-Y251 PolarHBondContact O-N 3.2Å; Y251-R254 WeakPolarHBondContact O-CG 3.26Å
252	E	92.4	Very high	97.5	Very high	124 Å²	124	31.7 Å²	31.7	58%	0.579	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-38.7	176.6	-55.8	-164.7	127.3	0	0	112.1	K518	E252-K518 IonicContact OE1-NZ 2.78Å; E252-K518 PolarHBondContact OE1-NZ 2.86Å; E252-K518 IonicContact OE2-NZ 3.46Å; E252-K518 PolarHBondContact OE2-NZ 2.8Å
253	E	94.4	Very high	97.3	Very high	142 Å²	142	34.6 Å²	34.6	66%	0.664	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-12.3	175.6	-60.1	175.7	136.9	0	0	113.2	S250 T255	S250-E253 WeakPolarHBondContact OG-CB 3.34Å; S250-E253 WeakPolarHBondContact OG-CG 3.27Å; S250-E253 PolarHBondContact OG-N 2.77Å; S250-E253 PolarHBondContact OG-OE2 3.28Å; S250-E253 VanDerWaalsContact OG-OE2 3.1Å; E253-T255 VanDerWaalsContact C-N 3.33Å; E253-T255 HydrophobicContact CB-CG2 3.95Å; E253-T255 PolarHBondContact O-N 2.92Å; E253-T255 PolarHBondContact OE2-OG1 3.44Å
254	R	95.2	Very high	97.2	Very high	86 Å²	86	35.4 Å²	35.4	33%	0.325	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	52	-162.8	-57.5	-151.9	75.4	76.6	-5.1	113.2	W217 S250 Y251 E543	W217-R254 VanDerWaalsContact CZ3-O 3.28Å; W217-R254 WeakPolarHBondContact CZ3-O 3.49Å; S250-R254 WeakPolarHBondContact O-CA 3.46Å; S250-R254 PolarHBondContact O-N 2.82Å; Y251-R254 WeakPolarHBondContact O-CG 3.26Å; R254-E543 IonicContact NH1-OE2 2.7Å; R254-E543 PolarHBondContact NH1-OE2 2.79Å
255	T	97.5	Very high	97.2	Very high	62 Å²	62	36 Å²	36	38%	0.38	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.6	174.5	66.2	0	0	0	0	112.2	S250 E253	S250-T255 PolarHBondContact N-O 3.47Å; S250-T255 PolarHBondContact O-N 3.31Å; S250-T255 VanDerWaalsContact O-N 3.07Å; E253-T255 VanDerWaalsContact C-N 3.33Å; E253-T255 HydrophobicContact CB-CG2 3.95Å; E253-T255 PolarHBondContact O-N 2.92Å; E253-T255 PolarHBondContact OE2-OG1 3.44Å
256	Q	98.6	Very high	97.1	Very high	20 Å²	20	36 Å²	36	9%	0.093	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.2	169.9	-75.3	-176.2	5.2	0	0	112.7	W217 V218 Y240 V247 L248 F249 H258	W217-Q256 VanDerWaalsContact CD2-CD 3.5Å; W217-Q256 HydrophobicContact CD2-CG 3.88Å; W217-Q256 HydrophobicContact CE3-CB 3.93Å; W217-Q256 HydrophobicContact CE3-CG 3.63Å; W217-Q256 HydrophobicContact CH2-CG 3.9Å; W217-Q256 HydrophobicContact CZ2-CG 4.08Å; W217-Q256 HydrophobicContact CZ3-CB 4.1Å; W217-Q256 HydrophobicContact CZ3-CG 3.66Å; V218-Q256 PolarHBondContact O-NE2 2.7Å; Y240-Q256 PolarHBondContact OH-NE2 2.82Å; V247-Q256 HydrophobicContact CG1-CB 4.3Å; V247-Q256 HydrophobicContact CG1-CG 3.81Å; L248-Q256 CarbonylContact O-C 3.48Å; L248-Q256 WeakPolarHBondContact O-CA 3.38Å; F249-Q256 HydrophobicContact CB-CG 4.13Å; F249-Q256 HydrophobicContact CD2-CG 4.02Å; F249-Q256 HydrophobicContact CG-CG 4.32Å; Q256-H258 WeakPolarHBondContact CB-NE2 3.49Å; Q256-H258 PolarHBondContact OE1-NE2 2.86Å
257	R	98.5	Very high	97.1	Very high	68 Å²	68	38 Å²	38	26%	0.257	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.2	164.7	-54.2	-168.7	-63.3	127.3	1.2	109.1	E237 L248 S302 V303 L305	E237-R257 IonicContact OE1-CZ 3.62Å; E237-R257 IonicContact OE1-NE 3.88Å; E237-R257 PolarHBondContact OE1-NE 3.1Å; E237-R257 IonicContact OE1-NH2 2.67Å; E237-R257 PolarHBondContact OE1-NH2 3.38Å; E237-R257 IonicContact OE2-CZ 3.47Å; E237-R257 IonicContact OE2-NH2 2.74Å; E237-R257 PolarHBondContact OE2-NH2 3.44Å; L248-R257 HydrophobicContact CB-CB 4.35Å; L248-R257 HydrophobicContact CD1-CB 4.34Å; L248-R257 WeakPolarHBondContact CD1-O 3.49Å; L248-R257 PolarHBondContact N-O 2.79Å; L248-R257 PolarHBondContact O-N 3.29Å; R257-S302 VanDerWaalsContact CZ-O 3.29Å; R257-S302 PolarHBondContact NH1-O 2.86Å; R257-S302 PolarHBondContact NH2-O 2.89Å; R257-V303 PolarHBondContact NH1-O 2.67Å; R257-V303 VanDerWaalsContact NH1-O 3.08Å; R257-L305 HydrophobicContact CB-CD1 4.13Å
258	H	98.8	Very high	97	Very high	26 Å²	26	38.5 Å²	38.5	12%	0.12	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.3	-169.3	-46.5	88.9	0	0	0	111.8	L215 E216 V245 Q256 L260	L215-H258 HydrophobicContact CD2-CB 3.96Å; E216-H258 PolarHBondContact O-CE1 2.81Å; E216-H258 VanDerWaalsContact O-CE1 3.23Å; V245-H258 HydrophobicContact CG1-CB 3.94Å; Q256-H258 WeakPolarHBondContact CB-NE2 3.49Å; Q256-H258 PolarHBondContact OE1-NE2 2.86Å; H258-L260 HydrophobicContact CB-CD2 4.18Å; H258-L260 HydrophobicContact CB-CG 4.2Å
259	Y	98.8	Very high	97	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	105.2	167.7	175.9	-106.6	0	0	0	109.9	A246 H262 R298 W300 L305 T307	A246-Y259 HydrophobicContact CB-CD1 4.4Å; A246-Y259 PolarHBondContact N-O 3.1Å; A246-Y259 PolarHBondContact O-N 2.87Å; Y259-H262 AromaticContact CE1-CD2 3.92Å; Y259-R298 HydrophobicContact CE1-CB 4.46Å; Y259-R298 WeakPolarHBondContact OH-CB 3.45Å; Y259-R298 WeakPolarHBondContact OH-CD 3.4Å; Y259-W300 AromaticContact CD1-CD1 3.86Å; Y259-W300 AromaticContact CD1-CD2 3.71Å; Y259-W300 HydrophobicContact CD1-CD2 3.71Å; Y259-W300 AromaticContact CD1-CE2 3.49Å; Y259-W300 VanDerWaalsContact CD1-CE2 3.49Å; Y259-W300 HydrophobicContact CD1-CE3 4.33Å; Y259-W300 AromaticContact CD1-CG 3.93Å; Y259-W300 HydrophobicContact CD1-CG 3.93Å; Y259-W300 AromaticContact CD1-CZ2 3.95Å; Y259-W300 HydrophobicContact CD1-CZ2 3.95Å; Y259-W300 AromaticContact CD1-NE1 3.58Å; Y259-W300 HydrophobicContact CD2-CB 4.13Å; Y259-W300 AromaticContact CD2-CD2 3.82Å; Y259-W300 HydrophobicContact CD2-CD2 3.82Å; Y259-W300 AromaticContact CD2-CE3 3.87Å; Y259-W300 HydrophobicContact CD2-CE3 3.87Å; Y259-W300 AromaticContact CD2-CG 3.97Å; Y259-W300 HydrophobicContact CD2-CG 3.97Å; Y259-W300 HydrophobicContact CE1-CB 4.23Å; Y259-W300 AromaticContact CE1-CD1 3.36Å; Y259-W300 AromaticContact CE1-CD2 3.93Å; Y259-W300 HydrophobicContact CE1-CD2 3.93Å; Y259-W300 AromaticContact CE1-CE2 3.86Å; Y259-W300 AromaticContact CE1-CG 3.61Å; Y259-W300 HydrophobicContact CE1-CG 3.61Å; Y259-W300 AromaticContact CE1-NE1 3.49Å; Y259-W300 HydrophobicContact CE2-CB 3.52Å; Y259-W300 HydrophobicContact CE2-CD2 4.05Å; Y259-W300 HydrophobicContact CE2-CE3 4.44Å; Y259-W300 AromaticContact CE2-CG 3.68Å; Y259-W300 HydrophobicContact CE2-CG 3.68Å; Y259-W300 AromaticContact CG-CD2 3.62Å; Y259-W300 HydrophobicContact CG-CD2 3.62Å; Y259-W300 AromaticContact CG-CE2 3.79Å; Y259-W300 AromaticContact CG-CE3 3.79Å; Y259-W300 HydrophobicContact CG-CE3 3.79Å; Y259-W300 HydrophobicContact CG-CG 4.07Å; Y259-W300 HydrophobicContact CG-CH2 4.26Å; Y259-W300 HydrophobicContact CG-CZ2 4.11Å; Y259-W300 HydrophobicContact CG-CZ3 4.11Å; Y259-W300 AromaticContact CZ-CD1 3.56Å; Y259-W300 AromaticContact CZ-CG 3.45Å; Y259-W300 VanDerWaalsContact CZ-CG 3.45Å; Y259-L305 WeakPolarHBondContact CD2-O 3.4Å; Y259-T307 PolarHBondContact OH-OG1 3.38Å
260	L	98.3	Very high	97	Very high	76 Å²	76	39.3 Å²	39.3	40%	0.398	20%	0.197	S	C	.	.			trans	-98.7	30.7	-175.4	-59.6	175.7	0	0	0	112.6	L215 V245 H258 A788	L215-L260 HydrophobicContact CD2-CD1 4.25Å; L215-L260 HydrophobicContact CD2-CD2 3.72Å; L215-L260 HydrophobicContact CD2-CG 4.48Å; V245-L260 HydrophobicContact CB-CD2 4.33Å; V245-L260 HydrophobicContact CG1-CD2 3.96Å; V245-L260 HydrophobicContact CG2-CD2 3.68Å; H258-L260 HydrophobicContact CB-CD2 4.18Å; H258-L260 HydrophobicContact CB-CG 4.2Å; L260-A788 HydrophobicContact CD2-CB 3.92Å
261	G	97.4	Very high	97	Very high	18 Å²	18	40.1 Å²	40.1	19%	0.186	20%	0.2	C	C	.	.			trans	-74.1	-28.3	-175.2	0	0	0	0	0	114.3	R298	G261-R298 PolarHBondContact O-NE 2.8Å; G261-R298 VanDerWaalsContact O-NE 3.08Å; G261-R298 PolarHBondContact O-NH1 3.46Å; G261-R298 PolarHBondContact O-NH2 2.93Å; G261-R298 VanDerWaalsContact O-NH2 3.14Å
262	H	97.9	Very high	97.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	20%	0.198	C	C	.	.			trans	-79.1	159.1	-172.9	-76.1	-78.7	0	0	0	113.3	Y259 I266 T280 Q282	Y259-H262 AromaticContact CE1-CD2 3.92Å; H262-I266 HydrophobicContact CB-CG1 4.16Å; H262-T280 PolarHBondContact CE1-O 3.23Å; H262-T280 VanDerWaalsContact CE1-O 3.3Å; H262-T280 WeakPolarHBondContact NE2-CB 3.28Å; H262-T280 PolarHBondContact NE2-O 3.06Å; H262-T280 PolarHBondContact NE2-OG1 3.31Å; H262-Q282 PolarHBondContact ND1-OE1 3.3Å
263	T	94.9	Very high	97.5	Very high	61 Å²	61	36 Å²	36	37%	0.374	19%	0.186	S	C	.	.	S	Bend	trans	-106.8	-7.3	179.6	70.2	0	0	0	0	113.2	Q282	T263-Q282 PolarHBondContact OG1-NE2 2.86Å
264	D	96.1	Very high	97.6	Very high	19 Å²	19	32 Å²	32	10%	0.102	17%	0.169	C	C	.	.	S	Bend	trans	-156.7	175.4	-175.6	-148.5	-61	0	0	0	109.3	S244 I266 I283 G285	S244-D264 WeakPolarHBondContact CA-O 3.17Å; S244-D264 WeakPolarHBondContact CB-O 3.49Å; D264-I266 PolarHBondContact O-N 2.98Å; D264-I283 HydrophobicContact CB-CG1 4.35Å; D264-I283 WeakPolarHBondContact OD1-CD1 3.44Å; D264-I283 WeakPolarHBondContact OD1-CG1 3.24Å; D264-G285 WeakPolarHBondContact OD2-CA 3.43Å
265	C	96.9	Very high	97.7	Very high	14 Å²	14	33.1 Å²	33.1	10%	0.095	18%	0.177	C	C	.	.			trans	-36.8	117.3	174.7	-87.7	0	0	0	0	113.3	R222 A243 Q282 I283 S790	R222-C265 VanDerWaalsContact NH1-CB 3.26Å; R222-C265 PolarHBondContact NH1-SG 3.03Å; A243-C265 WeakPolarHBondContact O-CA 3.38Å; C265-Q282 VanDerWaalsContact O-CA 3.22Å; C265-Q282 WeakPolarHBondContact O-CA 3.38Å; C265-Q282 VanDerWaalsContact O-CB 3.32Å; C265-Q282 WeakPolarHBondContact O-CB 3.34Å; C265-I283 HydrophobicContact CB-CD1 3.56Å; C265-I283 HydrophobicContact CB-CG1 3.71Å; C265-I283 HydrophobicContact CB-CG2 4.41Å; C265-I283 PolarHBondContact O-N 3.13Å; C265-S790 VanDerWaalsContact N-CB 3.34Å; C265-S790 PolarHBondContact SG-OG 3.46Å
266	I	98.6	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.9	163.1	-57.2	-179	0	0	0	108.1	R222 F241 A243 A246 H262 D264 T280	R222-I266 PolarHBondContact NH1-O 3.4Å; R222-I266 VanDerWaalsContact NH1-O 3.16Å; F241-I266 HydrophobicContact CB-CB 4.04Å; F241-I266 HydrophobicContact CB-CD1 4.17Å; F241-I266 HydrophobicContact CB-CG2 4Å; F241-I266 HydrophobicContact CD1-CB 4.41Å; F241-I266 HydrophobicContact CD1-CG2 3.57Å; F241-I266 HydrophobicContact CD2-CB 3.88Å; F241-I266 HydrophobicContact CD2-CG2 3.85Å; F241-I266 HydrophobicContact CE1-CG2 3.91Å; F241-I266 HydrophobicContact CE2-CB 4.45Å; F241-I266 HydrophobicContact CE2-CG2 4.19Å; F241-I266 VanDerWaalsContact CE2-O 3.29Å; F241-I266 WeakPolarHBondContact CE2-O 3.38Å; F241-I266 HydrophobicContact CG-CB 3.87Å; F241-I266 HydrophobicContact CG-CG2 3.54Å; F241-I266 HydrophobicContact CZ-CG2 4.23Å; A243-I266 PolarHBondContact O-N 2.83Å; A246-I266 HydrophobicContact CB-CD1 3.91Å; H262-I266 HydrophobicContact CB-CG1 4.16Å; D264-I266 PolarHBondContact O-N 2.98Å; I266-T280 HydrophobicContact CG2-CG2 4.21Å
267	K	97.3	Very high	97.7	Very high	43 Å²	43	36.8 Å²	36.8	19%	0.187	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-29.7	-176	-168.7	68.4	-161.5	161.8	0	113.8	D225 C226 F241 G281 I283	D225-K267 VanDerWaalsContact CG-NZ 3.33Å; D225-K267 PolarHBondContact O-NZ 3.47Å; D225-K267 IonicContact OD1-NZ 3.87Å; D225-K267 IonicContact OD2-NZ 3.79Å; D225-K267 PolarHBondContact OD2-NZ 3.07Å; C226-K267 PolarHBondContact SG-NZ 2.92Å; F241-K267 VanDerWaalsContact CZ-C 3.47Å; F241-K267 WeakPolarHBondContact CZ-O 3.38Å; K267-G281 PolarHBondContact N-O 3.44Å; K267-I283 HydrophobicContact CB-CG2 3.96Å; K267-I283 HydrophobicContact CD-CG2 4.33Å; K267-I283 HydrophobicContact CG-CG2 4.25Å
268	C	97.9	Very high	97.7	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.068	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.1	175.5	60.8	0	0	0	0	112.6	T280 G281 V320 L323	C268-T280 WeakPolarHBondContact O-CA 3.19Å; C268-G281 PolarHBondContact N-O 2.99Å; C268-G281 PolarHBondContact O-N 2.78Å; C268-V320 PolarHBondContact SG-O 3.22Å; C268-L323 VanDerWaalsContact SG-CD2 3.56Å
269	L	98.1	Very high	97.7	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.2	-170.8	168.8	67.7	0	0	0	109.1	Y231 V239 F241 I271 I278 A279 T280	Y231-L269 HydrophobicContact CD2-CD2 3.66Å; Y231-L269 HydrophobicContact CD2-CG 4.1Å; Y231-L269 HydrophobicContact CE2-CD2 3.84Å; Y231-L269 HydrophobicContact CE2-CG 3.92Å; V239-L269 HydrophobicContact CG1-CD1 4.42Å; V239-L269 HydrophobicContact CG1-CD2 4.07Å; F241-L269 HydrophobicContact CD1-CB 3.87Å; F241-L269 HydrophobicContact CD1-CD2 4.25Å; F241-L269 HydrophobicContact CE1-CB 3.63Å; L269-I271 HydrophobicContact CD1-CD1 4.4Å; L269-I278 HydrophobicContact CD1-CG2 3.28Å; L269-A279 CarbonylContact C-O 3.59Å; L269-A279 WeakPolarHBondContact CA-O 3.34Å; L269-T280 HydrophobicContact CB-CG2 4.36Å; L269-T280 HydrophobicContact CD1-CG2 3.52Å
270	A	98.3	Very high	97.7	Very high	10 Å²	10	32.1 Å²	32.1	8%	0.083	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.5	166.1	0	0	0	0	0	111.8	A279 L323 F325	A270-A279 PolarHBondContact N-O 3.26Å; A270-A279 PolarHBondContact O-N 3.34Å; A270-L323 HydrophobicContact CB-CD1 3.49Å; A270-L323 VanDerWaalsContact CB-CD1 3.49Å; A270-F325 HydrophobicContact CB-CD2 4.41Å
271	I	98.1	Very high	97.7	Very high	28 Å²	28	28.5 Å²	28.5	14%	0.144	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.1	176.4	-47.3	-57.1	0	0	0	108.9	Y231 L233 L269 K275 I278	Y231-I271 HydrophobicContact CD1-CG1 4.07Å; Y231-I271 HydrophobicContact CD2-CD1 4.28Å; Y231-I271 HydrophobicContact CD2-CG1 4.07Å; Y231-I271 HydrophobicContact CG-CD1 4.33Å; Y231-I271 HydrophobicContact CG-CG1 3.77Å; L233-I271 HydrophobicContact CD2-CD1 4.31Å; L233-I271 HydrophobicContact CD2-CG2 4.19Å; L269-I271 HydrophobicContact CD1-CD1 4.4Å; I271-K275 HydrophobicContact CG2-CD 4.07Å; I271-I278 HydrophobicContact CD1-CD1 3.87Å; I271-I278 HydrophobicContact CD1-CG1 3.88Å; I271-I278 HydrophobicContact CD1-CG2 4.23Å
272	H	98.5	Very high	97.7	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.028	14%	0.141	C	C	.	.			trans	-68.9	156.1	177	-177.1	-98.5	0	0	0	111.1	D274 K275 R277 F325 S330 G331 W350	H272-D274 IonicContact CE1-OD2 2.71Å; H272-D274 PolarHBondContact CE1-OD2 3.07Å; H272-D274 VanDerWaalsContact CE1-OD2 3.24Å; H272-D274 IonicContact CG-OD1 3.14Å; H272-D274 PolarHBondContact ND1-N 3.24Å; H272-D274 IonicContact ND1-OD1 3.43Å; H272-D274 PolarHBondContact ND1-OD1 2.83Å; H272-D274 IonicContact ND1-OD2 2.7Å; H272-D274 PolarHBondContact ND1-OD2 2.88Å; H272-D274 PolarHBondContact O-N 2.83Å; H272-D274 VanDerWaalsContact O-N 3.13Å; H272-K275 PolarHBondContact O-N 2.67Å; H272-R277 HydrophobicContact CB-CB 3.68Å; H272-R277 WeakPolarHBondContact CB-O 3.26Å; H272-R277 PolarHBondContact N-O 3.01Å; H272-F325 VanDerWaalsContact CA-CD2 3.47Å; H272-F325 HydrophobicContact CB-CD2 3.82Å; H272-F325 HydrophobicContact CB-CE2 3.68Å; H272-F325 HydrophobicContact CB-CG 4.27Å; H272-F325 HydrophobicContact CB-CZ 4.04Å; H272-F325 AromaticContact CD2-CD1 3.57Å; H272-F325 AromaticContact CD2-CE1 3.63Å; H272-F325 AromaticContact CD2-CG 3.89Å; H272-F325 AromaticContact CD2-CZ 4Å; H272-S330 PolarHBondContact CE1-O 2.67Å; H272-G331 PolarHBondContact NE2-O 2.9Å; H272-W350 AromaticContact NE2-CZ2 3.77Å
273	P	97.3	Very high	97.7	Very high	51 Å²	51	29.4 Å²	29.4	33%	0.331	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.5	-178.5	-29.9	37.5	0	0	0	115.5	K275 S326	P273-K275 PolarHBondContact O-N 2.88Å; P273-S326 WeakPolarHBondContact CG-O 3.38Å
274	D	97.1	Very high	97.7	Very high	56 Å²	56	28.4 Å²	28.4	30%	0.299	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-5.3	174.4	67.7	12.9	0	0	0	114.9	H272 I276 R277	H272-D274 IonicContact CE1-OD2 2.71Å; H272-D274 PolarHBondContact CE1-OD2 3.07Å; H272-D274 VanDerWaalsContact CE1-OD2 3.24Å; H272-D274 IonicContact CG-OD1 3.14Å; H272-D274 PolarHBondContact ND1-N 3.24Å; H272-D274 IonicContact ND1-OD1 3.43Å; H272-D274 PolarHBondContact ND1-OD1 2.83Å; H272-D274 IonicContact ND1-OD2 2.7Å; H272-D274 PolarHBondContact ND1-OD2 2.88Å; H272-D274 PolarHBondContact O-N 2.83Å; H272-D274 VanDerWaalsContact O-N 3.13Å; D274-I276 PolarHBondContact O-N 2.89Å; D274-I276 VanDerWaalsContact O-N 3.08Å; D274-I276 PolarHBondContact OD1-N 3.35Å; D274-R277 PolarHBondContact OD1-N 2.82Å; D274-R277 IonicContact OD2-CZ 3.82Å; D274-R277 IonicContact OD2-NE 2.78Å; D274-R277 IonicContact OD2-NH1 3.45Å; D274-R277 PolarHBondContact OD2-NH1 3.29Å
275	K	96.4	Very high	97.5	Very high	111 Å²	111	28 Å²	28	48%	0.483	15%	0.149	S	C	.	.	S	Bend	trans	58.5	13.8	-178.1	-50.9	-60.6	-175.8	171.8	0	115.3	P234 I271 H272 P273	P234-K275 HydrophobicContact CG-CB 3.58Å; P234-K275 HydrophobicContact CG-CG 4.12Å; I271-K275 HydrophobicContact CG2-CD 4.07Å; H272-K275 PolarHBondContact O-N 2.67Å; P273-K275 PolarHBondContact O-N 2.88Å
276	I	97.4	Very high	97.2	Very high	76 Å²	76	32.5 Å²	32.5	39%	0.39	18%	0.175	S	C	.	.	S	Bend	trans	-113.1	-41.2	178.8	-67	165.9	0	0	0	110.3	D274 D301 S302 V303	D274-I276 PolarHBondContact O-N 2.89Å; D274-I276 VanDerWaalsContact O-N 3.08Å; D274-I276 PolarHBondContact OD1-N 3.35Å; I276-D301 VanDerWaalsContact CG2-OD2 3.32Å; I276-D301 WeakPolarHBondContact CG2-OD2 3.27Å; I276-S302 VanDerWaalsContact O-CB 3.23Å; I276-S302 WeakPolarHBondContact O-CB 3.47Å; I276-S302 PolarHBondContact O-N 2.97Å; I276-S302 PolarHBondContact O-OG 2.89Å; I276-V303 HydrophobicContact CG2-CG2 4.23Å
277	R	98.5	Very high	96.6	Very high	83 Å²	83	34.2 Å²	34.2	31%	0.313	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144.7	-179.9	-58.8	179.9	-178.1	113.6	-7.4	111.2	H272 D274 W300 L308	H272-R277 HydrophobicContact CB-CB 3.68Å; H272-R277 WeakPolarHBondContact CB-O 3.26Å; H272-R277 PolarHBondContact N-O 3.01Å; D274-R277 PolarHBondContact OD1-N 2.82Å; D274-R277 IonicContact OD2-CZ 3.82Å; D274-R277 IonicContact OD2-NE 2.78Å; D274-R277 IonicContact OD2-NH1 3.45Å; D274-R277 PolarHBondContact OD2-NH1 3.29Å; R277-W300 WeakPolarHBondContact CA-O 3.41Å; R277-L308 HydrophobicContact CG-CD1 4.07Å
278	I	98.8	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.8	-175.4	-59.2	-174.3	0	0	0	108.8	L233 V239 L269 I271 T280 V299 W300	L233-I278 HydrophobicContact CD1-CD1 4.45Å; L233-I278 HydrophobicContact CD2-CD1 4.47Å; V239-I278 HydrophobicContact CG1-CD1 4.21Å; V239-I278 HydrophobicContact CG2-CD1 4.42Å; L269-I278 HydrophobicContact CD1-CG2 3.28Å; I271-I278 HydrophobicContact CD1-CD1 3.87Å; I271-I278 HydrophobicContact CD1-CG1 3.88Å; I271-I278 HydrophobicContact CD1-CG2 4.23Å; I278-T280 HydrophobicContact CG2-CG2 4.32Å; I278-V299 CarbonylContact O-C 3.55Å; I278-V299 WeakPolarHBondContact O-CA 3.25Å; I278-W300 HydrophobicContact CB-CD2 4.05Å; I278-W300 HydrophobicContact CB-CE3 4.46Å; I278-W300 HydrophobicContact CB-CH2 4.32Å; I278-W300 HydrophobicContact CB-CZ2 3.88Å; I278-W300 HydrophobicContact CD1-CH2 3.76Å; I278-W300 HydrophobicContact CD1-CZ2 4.1Å; I278-W300 HydrophobicContact CD1-CZ3 4.09Å; I278-W300 HydrophobicContact CG2-CD2 4.43Å; I278-W300 HydrophobicContact CG2-CH2 4.25Å; I278-W300 HydrophobicContact CG2-CZ2 3.5Å; I278-W300 PolarHBondContact N-O 2.84Å; I278-W300 PolarHBondContact O-N 2.82Å
279	A	98.8	Very high	95.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.7	170.3	0	0	0	0	0	110.4	L269 A270 V297 R298 V299 L323 F325 L334	L269-A279 CarbonylContact C-O 3.59Å; L269-A279 WeakPolarHBondContact CA-O 3.34Å; A270-A279 PolarHBondContact N-O 3.26Å; A270-A279 PolarHBondContact O-N 3.34Å; A279-V297 HydrophobicContact CB-CG1 4.32Å; A279-R298 VanDerWaalsContact CA-O 3.31Å; A279-R298 WeakPolarHBondContact CA-O 3.34Å; A279-V299 HydrophobicContact CB-CG2 4.25Å; A279-L323 HydrophobicContact CB-CD1 3.56Å; A279-F325 HydrophobicContact CB-CD2 4.45Å; A279-F325 HydrophobicContact CB-CE2 3.48Å; A279-F325 VanDerWaalsContact CB-CE2 3.48Å; A279-F325 HydrophobicContact CB-CZ 3.53Å; A279-L334 HydrophobicContact CB-CD1 4.15Å; A279-L334 HydrophobicContact CB-CD2 4.35Å
280	T	98.8	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.8	177.3	41.6	0	0	0	0	110.8	A246 H262 I266 C268 L269 I278 V297 R298 W300	A246-T280 HydrophobicContact CB-CG2 4.44Å; H262-T280 PolarHBondContact CE1-O 3.23Å; H262-T280 VanDerWaalsContact CE1-O 3.3Å; H262-T280 WeakPolarHBondContact NE2-CB 3.28Å; H262-T280 PolarHBondContact NE2-O 3.06Å; H262-T280 PolarHBondContact NE2-OG1 3.31Å; I266-T280 HydrophobicContact CG2-CG2 4.21Å; C268-T280 WeakPolarHBondContact O-CA 3.19Å; L269-T280 HydrophobicContact CB-CG2 4.36Å; L269-T280 HydrophobicContact CD1-CG2 3.52Å; I278-T280 HydrophobicContact CG2-CG2 4.32Å; T280-V297 WeakPolarHBondContact O-CA 3.26Å; T280-R298 PolarHBondContact N-O 3.45Å; T280-R298 PolarHBondContact O-N 3.1Å; T280-W300 HydrophobicContact CG2-CZ2 4.32Å; T280-W300 PolarHBondContact OG1-NE1 2.89Å
281	G	98.4	Very high	94.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.8	178.1	0	0	0	0	0	111.4	K267 C268	K267-G281 PolarHBondContact N-O 3.44Å; C268-G281 PolarHBondContact N-O 2.99Å; C268-G281 PolarHBondContact O-N 2.78Å
282	Q	97.8	Very high	94	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	163.9	176.8	64.3	167.2	78.9	0	0	113.3	H262 T263 C265 P295 H296 V320	H262-Q282 PolarHBondContact ND1-OE1 3.3Å; T263-Q282 PolarHBondContact OG1-NE2 2.86Å; C265-Q282 VanDerWaalsContact O-CA 3.22Å; C265-Q282 WeakPolarHBondContact O-CA 3.38Å; C265-Q282 VanDerWaalsContact O-CB 3.32Å; C265-Q282 WeakPolarHBondContact O-CB 3.34Å; Q282-P295 WeakPolarHBondContact O-CB 3.48Å; Q282-H296 PolarHBondContact N-O 3.1Å; Q282-H296 PolarHBondContact OE1-CE1 2.89Å; Q282-H296 PolarHBondContact OE1-NE2 2.9Å; Q282-V320 PolarHBondContact O-N 2.98Å
283	I	97	Very high	93.7	Very high	43 Å²	43	55 Å²	55	22%	0.221	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-75.2	171.4	171.5	73.1	177.5	0	0	0	112.6	D264 C265 K267	D264-I283 HydrophobicContact CB-CG1 4.35Å; D264-I283 WeakPolarHBondContact OD1-CD1 3.44Å; D264-I283 WeakPolarHBondContact OD1-CG1 3.24Å; C265-I283 HydrophobicContact CB-CD1 3.56Å; C265-I283 HydrophobicContact CB-CG1 3.71Å; C265-I283 HydrophobicContact CB-CG2 4.41Å; C265-I283 PolarHBondContact O-N 3.13Å; K267-I283 HydrophobicContact CB-CG2 3.96Å; K267-I283 HydrophobicContact CD-CG2 4.33Å; K267-I283 HydrophobicContact CG-CG2 4.25Å
284	A	95.9	Very high	93.6	Very high	39 Å²	39	57.2 Å²	57.2	32%	0.322	31%	0.312	S	S	.	.			trans	-77.1	139.3	164.9	0	0	0	0	0	110.2	L293 P295 R318	A284-L293 WeakPolarHBondContact CA-O 3.39Å; A284-P295 HydrophobicContact CB-CB 4.42Å; A284-P295 HydrophobicContact CB-CG 4.08Å; A284-R318 VanDerWaalsContact CB-O 3.25Å; A284-R318 WeakPolarHBondContact CB-O 3.34Å; A284-R318 PolarHBondContact N-O 2.84Å
285	G	92.1	Very high	93.6	Very high	12 Å²	12	54.9 Å²	54.9	12%	0.124	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	-169.8	-174	0	0	0	0	0	114	D264 A292 L293	D264-G285 WeakPolarHBondContact OD2-CA 3.43Å; G285-A292 CarbonylContact O-C 3.59Å; G285-A292 WeakPolarHBondContact O-CA 3.43Å; G285-L293 PolarHBondContact N-O 2.91Å; G285-L293 PolarHBondContact O-N 2.79Å
286	V	90.3	Very high	93.7	Very high	107 Å²	107	49.9 Å²	49.9	65%	0.648	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.4	168	-69.4	0	0	0	0	110.5	R291	V286-R291 CarbonylContact C-O 3.58Å; V286-R291 WeakPolarHBondContact CA-O 3.45Å
287	D	86.9	Confident	93.8	Very high	37 Å²	37	46.3 Å²	46.3	20%	0.198	26%	0.26	C	S	.	.			trans	-90.1	171.2	168	78	10.2	0	0	0	112.1	D289 G290 R291 L293	D287-D289 PolarHBondContact O-N 3.03Å; D287-D289 WeakPolarHBondContact OD1-CA 3.43Å; D287-D289 WeakPolarHBondContact OD1-CB 3.28Å; D287-D289 PolarHBondContact OD1-N 3.32Å; D287-G290 WeakPolarHBondContact O-CA 3.19Å; D287-G290 PolarHBondContact O-N 3.5Å; D287-G290 PolarHBondContact OD1-N 2.82Å; D287-R291 PolarHBondContact N-O 2.94Å; D287-R291 WeakPolarHBondContact OD1-CB 3.25Å; D287-R291 PolarHBondContact OD1-N 3.46Å; D287-R291 IonicContact OD1-NE 3.73Å; D287-R291 IonicContact OD1-NH2 3.51Å; D287-R291 IonicContact OD2-CZ 2.97Å; D287-R291 IonicContact OD2-NE 2.73Å; D287-R291 PolarHBondContact OD2-NE 2.87Å; D287-R291 IonicContact OD2-NH2 2.85Å; D287-R291 PolarHBondContact OD2-NH2 2.79Å; D287-L293 HydrophobicContact CB-CD1 4.49Å; D287-L293 HydrophobicContact CB-CD2 4.13Å; D287-L293 HydrophobicContact CB-CG 4.27Å
288	K	83.8	Confident	93.8	Very high	121 Å²	121	44.4 Å²	44.4	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-15.4	178.1	68.3	167.7	-157	70	0	115.6	G290 F766	K288-G290 VanDerWaalsContact C-N 3.35Å; K288-F766 VanDerWaalsContact CA-CD1 3.47Å; K288-F766 HydrophobicContact CB-CB 4.17Å; K288-F766 HydrophobicContact CB-CD1 3.49Å; K288-F766 VanDerWaalsContact CB-CD1 3.49Å; K288-F766 HydrophobicContact CB-CD2 3.78Å; K288-F766 HydrophobicContact CB-CE1 3.73Å; K288-F766 HydrophobicContact CB-CE2 3.99Å; K288-F766 HydrophobicContact CB-CG 3.51Å; K288-F766 HydrophobicContact CB-CZ 3.96Å
289	D	85.9	Confident	93.8	Very high	81 Å²	81	44.4 Å²	44.4	43%	0.433	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	11.5	177.8	-57.6	-40.6	0	0	0	110.8	D287 R291	D287-D289 PolarHBondContact O-N 3.03Å; D287-D289 WeakPolarHBondContact OD1-CA 3.43Å; D287-D289 WeakPolarHBondContact OD1-CB 3.28Å; D287-D289 PolarHBondContact OD1-N 3.32Å; D289-R291 VanDerWaalsContact C-N 3.28Å; D289-R291 HydrophobicContact CB-CG 4.23Å; D289-R291 PolarHBondContact O-N 2.79Å; D289-R291 IonicContact OD2-CZ 3.57Å; D289-R291 IonicContact OD2-NH1 3.25Å; D289-R291 PolarHBondContact OD2-NH1 2.74Å; D289-R291 IonicContact OD2-NH2 3.06Å; D289-R291 PolarHBondContact OD2-NH2 2.81Å
290	G	84.3	Confident	93.8	Very high	63 Å²	63	44.4 Å²	44.4	65%	0.649	25%	0.253	S	S	*	.	S	Bend	trans	73.6	12.8	-178.1	0	0	0	0	0	114.4	D287 K288	D287-G290 WeakPolarHBondContact O-CA 3.19Å; D287-G290 PolarHBondContact O-N 3.5Å; D287-G290 PolarHBondContact OD1-N 2.82Å; K288-G290 VanDerWaalsContact C-N 3.35Å
291	R	90.2	Very high	93.8	Very high	141 Å²	141	45.8 Å²	45.8	53%	0.532	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-89.4	137.1	-175.8	-54.4	178.3	-64.1	-134.8	-9.2	110.5	V286 D287 D289 L293	V286-R291 CarbonylContact C-O 3.58Å; V286-R291 WeakPolarHBondContact CA-O 3.45Å; D287-R291 PolarHBondContact N-O 2.94Å; D287-R291 WeakPolarHBondContact OD1-CB 3.25Å; D287-R291 PolarHBondContact OD1-N 3.46Å; D287-R291 IonicContact OD1-NE 3.73Å; D287-R291 IonicContact OD1-NH2 3.51Å; D287-R291 IonicContact OD2-CZ 2.97Å; D287-R291 IonicContact OD2-NE 2.73Å; D287-R291 PolarHBondContact OD2-NE 2.87Å; D287-R291 IonicContact OD2-NH2 2.85Å; D287-R291 PolarHBondContact OD2-NH2 2.79Å; D289-R291 VanDerWaalsContact C-N 3.28Å; D289-R291 HydrophobicContact CB-CG 4.23Å; D289-R291 PolarHBondContact O-N 2.79Å; D289-R291 IonicContact OD2-CZ 3.57Å; D289-R291 IonicContact OD2-NH1 3.25Å; D289-R291 PolarHBondContact OD2-NH1 2.74Å; D289-R291 IonicContact OD2-NH2 3.06Å; D289-R291 PolarHBondContact OD2-NH2 2.81Å; R291-L293 PolarHBondContact O-N 3.21Å
292	A	89.9	Confident	93.8	Very high	86 Å²	86	46 Å²	46	71%	0.711	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	120.5	-179.7	0	0	0	0	0	112.1	G285	G285-A292 CarbonylContact O-C 3.59Å; G285-A292 WeakPolarHBondContact O-CA 3.43Å
293	L	91.8	Very high	93.8	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.246	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.9	167.9	-64.7	174.5	0	0	0	108.6	A284 G285 D287 R291	A284-L293 WeakPolarHBondContact CA-O 3.39Å; G285-L293 PolarHBondContact N-O 2.91Å; G285-L293 PolarHBondContact O-N 2.79Å; D287-L293 HydrophobicContact CB-CD1 4.49Å; D287-L293 HydrophobicContact CB-CD2 4.13Å; D287-L293 HydrophobicContact CB-CG 4.27Å; R291-L293 PolarHBondContact O-N 3.21Å
294	Q	95.1	Very high	93.8	Very high	99 Å²	99	51.8 Å²	51.8	46%	0.463	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-79.1	136.3	-173.7	-68.5	-178.3	-11.6	0	0	112.1	H296 L313	Q294-H296 PolarHBondContact O-ND1 2.97Å; Q294-L313 HydrophobicContact CB-CD2 4.27Å
295	P	97.8	Very high	93.9	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.039	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.7	141.3	172.4	28.6	-31	0	0	0	109.2	Q282 A284 F316 V320	Q282-P295 WeakPolarHBondContact O-CB 3.48Å; A284-P295 HydrophobicContact CB-CB 4.42Å; A284-P295 HydrophobicContact CB-CG 4.08Å; P295-F316 HydrophobicContact CB-CB 4.42Å; P295-F316 HydrophobicContact CG-CB 4.02Å; P295-F316 WeakPolarHBondContact CG-O 3.4Å; P295-V320 HydrophobicContact CB-CG2 4.49Å
296	H	98.4	Very high	94.2	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.032	31%	0.31	C	S	.	.			trans	-155.9	159.8	-176.9	59.5	-87.3	0	0	0	110.7	Q282 Q294 R298 V310 I311 L313	Q282-H296 PolarHBondContact N-O 3.1Å; Q282-H296 PolarHBondContact OE1-CE1 2.89Å; Q282-H296 PolarHBondContact OE1-NE2 2.9Å; Q294-H296 PolarHBondContact O-ND1 2.97Å; H296-R298 PolarHBondContact NE2-NE 2.87Å; H296-R298 PolarHBondContact NE2-NH2 2.93Å; H296-V310 HydrophobicContact CB-CG1 4.47Å; H296-I311 WeakPolarHBondContact CB-O 3.44Å; H296-L313 HydrophobicContact CB-CD2 3.85Å; H296-L313 HydrophobicContact CB-CG 4.16Å
297	V	98.8	Very high	94.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.5	169.2	175.2	0	0	0	0	109.2	A279 T280 I311 F316 V320 L323 L334 V336	A279-V297 HydrophobicContact CB-CG1 4.32Å; T280-V297 WeakPolarHBondContact O-CA 3.26Å; V297-I311 HydrophobicContact CB-CB 4.43Å; V297-I311 PolarHBondContact N-O 3.34Å; V297-I311 PolarHBondContact O-N 2.88Å; V297-F316 HydrophobicContact CB-CE2 4.4Å; V297-F316 HydrophobicContact CG2-CE2 3.84Å; V297-F316 HydrophobicContact CG2-CZ 4.31Å; V297-V320 HydrophobicContact CG2-CG1 3.87Å; V297-V320 HydrophobicContact CG2-CG2 4.08Å; V297-L323 HydrophobicContact CG1-CD2 4.02Å; V297-L323 HydrophobicContact CG2-CD2 3.8Å; V297-L334 HydrophobicContact CG1-CD2 3.85Å; V297-V336 HydrophobicContact CG2-CG1 4.05Å; V297-V336 HydrophobicContact CG2-CG2 4.16Å
298	R	98.8	Very high	95.2	Very high	43 Å²	43	53 Å²	53	16%	0.162	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.1	167.2	-61.3	-170.1	169.1	-123.8	-0.2	109.5	Y259 G261 A279 T280 H296 Q309 V310	Y259-R298 HydrophobicContact CE1-CB 4.46Å; Y259-R298 WeakPolarHBondContact OH-CB 3.45Å; Y259-R298 WeakPolarHBondContact OH-CD 3.4Å; G261-R298 PolarHBondContact O-NE 2.8Å; G261-R298 VanDerWaalsContact O-NE 3.08Å; G261-R298 PolarHBondContact O-NH1 3.46Å; G261-R298 PolarHBondContact O-NH2 2.93Å; G261-R298 VanDerWaalsContact O-NH2 3.14Å; A279-R298 VanDerWaalsContact CA-O 3.31Å; A279-R298 WeakPolarHBondContact CA-O 3.34Å; T280-R298 PolarHBondContact N-O 3.45Å; T280-R298 PolarHBondContact O-N 3.1Å; H296-R298 PolarHBondContact NE2-NE 2.87Å; H296-R298 PolarHBondContact NE2-NH2 2.93Å; R298-Q309 WeakPolarHBondContact CA-O 3.37Å; R298-V310 HydrophobicContact CG-CG2 4.34Å
299	V	98.8	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.3	164.3	-173.9	0	0	0	0	107.5	I278 A279 L308 Q309 I311 F325 W350	I278-V299 CarbonylContact O-C 3.55Å; I278-V299 WeakPolarHBondContact O-CA 3.25Å; A279-V299 HydrophobicContact CB-CG2 4.25Å; V299-L308 WeakPolarHBondContact O-CA 3.16Å; V299-L308 WeakPolarHBondContact O-CB 3.31Å; V299-L308 PolarHBondContact O-N 3.31Å; V299-Q309 HydrophobicContact CB-CB 4.2Å; V299-Q309 PolarHBondContact N-O 2.83Å; V299-Q309 PolarHBondContact O-N 3.44Å; V299-I311 HydrophobicContact CG2-CD1 3.92Å; V299-F325 HydrophobicContact CG1-CZ 4.09Å; V299-F325 HydrophobicContact CG2-CZ 4.35Å; V299-W350 HydrophobicContact CB-CE3 4.02Å; V299-W350 HydrophobicContact CB-CZ3 4.39Å; V299-W350 HydrophobicContact CG1-CD2 4.33Å; V299-W350 HydrophobicContact CG1-CE3 3.73Å; V299-W350 HydrophobicContact CG1-CH2 4.35Å; V299-W350 HydrophobicContact CG1-CZ3 3.75Å; V299-W350 HydrophobicContact CG2-CB 4.26Å; V299-W350 HydrophobicContact CG2-CD2 4.34Å; V299-W350 HydrophobicContact CG2-CE3 4.05Å; V299-W350 HydrophobicContact CG2-CG 4.46Å
300	W	98.8	Very high	96.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	164.2	-174.3	54.8	-80.5	0	0	0	111.6	A246 L248 Y259 R277 I278 T280 L305 S306	A246-W300 HydrophobicContact CB-CH2 4.08Å; A246-W300 HydrophobicContact CB-CZ2 3.62Å; L248-W300 HydrophobicContact CD1-CH2 3.95Å; L248-W300 HydrophobicContact CD1-CZ3 4.03Å; L248-W300 HydrophobicContact CD2-CH2 4.34Å; L248-W300 HydrophobicContact CD2-CZ3 4.2Å; L248-W300 HydrophobicContact CG-CH2 4.35Å; Y259-W300 AromaticContact CD1-CD1 3.86Å; Y259-W300 AromaticContact CD1-CD2 3.71Å; Y259-W300 HydrophobicContact CD1-CD2 3.71Å; Y259-W300 AromaticContact CD1-CE2 3.49Å; Y259-W300 VanDerWaalsContact CD1-CE2 3.49Å; Y259-W300 HydrophobicContact CD1-CE3 4.33Å; Y259-W300 AromaticContact CD1-CG 3.93Å; Y259-W300 HydrophobicContact CD1-CG 3.93Å; Y259-W300 AromaticContact CD1-CZ2 3.95Å; Y259-W300 HydrophobicContact CD1-CZ2 3.95Å; Y259-W300 AromaticContact CD1-NE1 3.58Å; Y259-W300 HydrophobicContact CD2-CB 4.13Å; Y259-W300 AromaticContact CD2-CD2 3.82Å; Y259-W300 HydrophobicContact CD2-CD2 3.82Å; Y259-W300 AromaticContact CD2-CE3 3.87Å; Y259-W300 HydrophobicContact CD2-CE3 3.87Å; Y259-W300 AromaticContact CD2-CG 3.97Å; Y259-W300 HydrophobicContact CD2-CG 3.97Å; Y259-W300 HydrophobicContact CE1-CB 4.23Å; Y259-W300 AromaticContact CE1-CD1 3.36Å; Y259-W300 AromaticContact CE1-CD2 3.93Å; Y259-W300 HydrophobicContact CE1-CD2 3.93Å; Y259-W300 AromaticContact CE1-CE2 3.86Å; Y259-W300 AromaticContact CE1-CG 3.61Å; Y259-W300 HydrophobicContact CE1-CG 3.61Å; Y259-W300 AromaticContact CE1-NE1 3.49Å; Y259-W300 HydrophobicContact CE2-CB 3.52Å; Y259-W300 HydrophobicContact CE2-CD2 4.05Å; Y259-W300 HydrophobicContact CE2-CE3 4.44Å; Y259-W300 AromaticContact CE2-CG 3.68Å; Y259-W300 HydrophobicContact CE2-CG 3.68Å; Y259-W300 AromaticContact CG-CD2 3.62Å; Y259-W300 HydrophobicContact CG-CD2 3.62Å; Y259-W300 AromaticContact CG-CE2 3.79Å; Y259-W300 AromaticContact CG-CE3 3.79Å; Y259-W300 HydrophobicContact CG-CE3 3.79Å; Y259-W300 HydrophobicContact CG-CG 4.07Å; Y259-W300 HydrophobicContact CG-CH2 4.26Å; Y259-W300 HydrophobicContact CG-CZ2 4.11Å; Y259-W300 HydrophobicContact CG-CZ3 4.11Å; Y259-W300 AromaticContact CZ-CD1 3.56Å; Y259-W300 AromaticContact CZ-CG 3.45Å; Y259-W300 VanDerWaalsContact CZ-CG 3.45Å; R277-W300 WeakPolarHBondContact CA-O 3.41Å; I278-W300 HydrophobicContact CB-CD2 4.05Å; I278-W300 HydrophobicContact CB-CE3 4.46Å; I278-W300 HydrophobicContact CB-CH2 4.32Å; I278-W300 HydrophobicContact CB-CZ2 3.88Å; I278-W300 HydrophobicContact CD1-CH2 3.76Å; I278-W300 HydrophobicContact CD1-CZ2 4.1Å; I278-W300 HydrophobicContact CD1-CZ3 4.09Å; I278-W300 HydrophobicContact CG2-CD2 4.43Å; I278-W300 HydrophobicContact CG2-CH2 4.25Å; I278-W300 HydrophobicContact CG2-CZ2 3.5Å; I278-W300 PolarHBondContact N-O 2.84Å; I278-W300 PolarHBondContact O-N 2.82Å; T280-W300 HydrophobicContact CG2-CZ2 4.32Å; T280-W300 PolarHBondContact OG1-NE1 2.89Å; W300-L305 HydrophobicContact CZ3-CD2 4.08Å; W300-S306 VanDerWaalsContact CA-O 3.24Å; W300-S306 WeakPolarHBondContact CA-O 3.5Å; W300-S306 VanDerWaalsContact CB-O 3.26Å; W300-S306 WeakPolarHBondContact CB-O 3.14Å
301	D	98.4	Very high	97	Very high	30 Å²	30	44.2 Å²	44.2	16%	0.16	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123	-176.8	176.5	-101.6	0	0	0	109.9	I276 V303 S304 L305 S306 L308	I276-D301 VanDerWaalsContact CG2-OD2 3.32Å; I276-D301 WeakPolarHBondContact CG2-OD2 3.27Å; D301-V303 VanDerWaalsContact C-N 3.28Å; D301-V303 PolarHBondContact O-N 3.05Å; D301-V303 PolarHBondContact OD1-N 2.84Å; D301-S304 WeakPolarHBondContact CB-OG 3.43Å; D301-S304 VanDerWaalsContact OD1-CB 3.29Å; D301-S304 WeakPolarHBondContact OD1-CB 3.44Å; D301-S304 PolarHBondContact OD1-N 2.62Å; D301-S304 PolarHBondContact OD1-OG 2.8Å; D301-L305 WeakPolarHBondContact O-CA 3.3Å; D301-L305 PolarHBondContact O-N 2.67Å; D301-S306 PolarHBondContact N-O 3.42Å; D301-S306 VanDerWaalsContact N-O 3.08Å; D301-L308 HydrophobicContact CB-CD1 4.17Å; D301-L308 HydrophobicContact CB-CD2 4.18Å; D301-L308 HydrophobicContact CB-CG 4.16Å
302	S	98.3	Very high	97.2	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-21.2	-175.1	59.7	0	0	0	0	114.1	R257 I276 L305	R257-S302 VanDerWaalsContact CZ-O 3.29Å; R257-S302 PolarHBondContact NH1-O 2.86Å; R257-S302 PolarHBondContact NH2-O 2.89Å; I276-S302 VanDerWaalsContact O-CB 3.23Å; I276-S302 WeakPolarHBondContact O-CB 3.47Å; I276-S302 PolarHBondContact O-N 2.97Å; I276-S302 PolarHBondContact O-OG 2.89Å; S302-L305 WeakPolarHBondContact O-CD2 3.4Å
303	V	97.6	Very high	97.4	Very high	96 Å²	96	38.4 Å²	38.4	58%	0.582	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-55.7	-179.4	179.8	0	0	0	0	110.1	R257 I276 D301	R257-V303 PolarHBondContact NH1-O 2.67Å; R257-V303 VanDerWaalsContact NH1-O 3.08Å; I276-V303 HydrophobicContact CG2-CG2 4.23Å; D301-V303 VanDerWaalsContact C-N 3.28Å; D301-V303 PolarHBondContact O-N 3.05Å; D301-V303 PolarHBondContact OD1-N 2.84Å
304	S	97.8	Very high	97.5	Very high	70 Å²	70	39.1 Å²	39.1	49%	0.49	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.5	-178.7	64.3	0	0	0	0	114.8	D301 S306	D301-S304 WeakPolarHBondContact CB-OG 3.43Å; D301-S304 VanDerWaalsContact OD1-CB 3.29Å; D301-S304 WeakPolarHBondContact OD1-CB 3.44Å; D301-S304 PolarHBondContact OD1-N 2.62Å; D301-S304 PolarHBondContact OD1-OG 2.8Å; S304-S306 PolarHBondContact O-N 3.19Å; S304-S306 PolarHBondContact OG-N 3.37Å; S304-S306 PolarHBondContact OG-OG 2.78Å
305	L	98.4	Very high	97.5	Very high	50 Å²	50	36.4 Å²	36.4	26%	0.262	22%	0.223	S	C	.	.			trans	58.2	19.4	-171.6	-50.3	174.5	0	0	0	113.7	L248 R257 Y259 W300 D301 S302	L248-L305 HydrophobicContact CD1-CD2 3.69Å; L248-L305 HydrophobicContact CD2-CD2 4.29Å; R257-L305 HydrophobicContact CB-CD1 4.13Å; Y259-L305 WeakPolarHBondContact CD2-O 3.4Å; W300-L305 HydrophobicContact CZ3-CD2 4.08Å; D301-L305 WeakPolarHBondContact O-CA 3.3Å; D301-L305 PolarHBondContact O-N 2.67Å; S302-L305 WeakPolarHBondContact O-CD2 3.4Å
306	S	98.3	Very high	97.5	Very high	51 Å²	51	36.5 Å²	36.5	36%	0.357	22%	0.223	S	C	.	.			trans	-82.7	136.6	-178.8	63.4	0	0	0	0	111.9	W300 D301 S304 L308	W300-S306 VanDerWaalsContact CA-O 3.24Å; W300-S306 WeakPolarHBondContact CA-O 3.5Å; W300-S306 VanDerWaalsContact CB-O 3.26Å; W300-S306 WeakPolarHBondContact CB-O 3.14Å; D301-S306 PolarHBondContact N-O 3.42Å; D301-S306 VanDerWaalsContact N-O 3.08Å; S304-S306 PolarHBondContact O-N 3.19Å; S304-S306 PolarHBondContact OG-N 3.37Å; S304-S306 PolarHBondContact OG-OG 2.78Å; S306-L308 PolarHBondContact O-N 2.85Å; S306-L308 VanDerWaalsContact O-N 3.15Å
307	T	98.7	Very high	97.4	Very high	55 Å²	55	42.4 Å²	42.4	34%	0.337	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	108.5	168.7	-55.1	0	0	0	0	109	Y259 Q309 V310	Y259-T307 PolarHBondContact OH-OG1 3.38Å; T307-Q309 WeakPolarHBondContact CG2-O 3.39Å; T307-V310 HydrophobicContact CG2-CG2 3.71Å
308	L	98.4	Very high	97.2	Very high	65 Å²	65	49.8 Å²	49.8	34%	0.34	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-45.6	174.2	-59.5	178.4	0	0	0	110.6	R277 V299 D301 S306	R277-L308 HydrophobicContact CG-CD1 4.07Å; V299-L308 WeakPolarHBondContact O-CA 3.16Å; V299-L308 WeakPolarHBondContact O-CB 3.31Å; V299-L308 PolarHBondContact O-N 3.31Å; D301-L308 HydrophobicContact CB-CD1 4.17Å; D301-L308 HydrophobicContact CB-CD2 4.18Å; D301-L308 HydrophobicContact CB-CG 4.16Å; S306-L308 PolarHBondContact O-N 2.85Å; S306-L308 VanDerWaalsContact O-N 3.15Å
309	Q	98.1	Very high	97.2	Very high	38 Å²	38	47.7 Å²	47.7	18%	0.178	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.4	-174.1	-54.8	-67.3	-0.6	0	0	112.4	R298 V299 T307 I311 W350 Q351	R298-Q309 WeakPolarHBondContact CA-O 3.37Å; V299-Q309 HydrophobicContact CB-CB 4.2Å; V299-Q309 PolarHBondContact N-O 2.83Å; V299-Q309 PolarHBondContact O-N 3.44Å; T307-Q309 WeakPolarHBondContact CG2-O 3.39Å; Q309-I311 HydrophobicContact CB-CD1 4.2Å; Q309-I311 HydrophobicContact CB-CG1 4.22Å; Q309-W350 HydrophobicContact CG-CE3 3.88Å; Q309-W350 HydrophobicContact CG-CZ3 4.15Å; Q309-W350 WeakPolarHBondContact CG-O 3.28Å; Q309-Q351 PolarHBondContact NE2-O 2.95Å
310	V	98.2	Very high	97.1	Very high	39 Å²	39	47.7 Å²	47.7	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.2	170	-177.4	0	0	0	0	107.5	H296 R298 T307 L313	H296-V310 HydrophobicContact CB-CG1 4.47Å; R298-V310 HydrophobicContact CG-CG2 4.34Å; T307-V310 HydrophobicContact CG2-CG2 3.71Å; V310-L313 HydrophobicContact CG1-CD1 3.92Å; V310-L313 HydrophobicContact CG1-CG 4.21Å
311	I	96.9	Very high	97	Very high	3 Å²	3	49 Å²	49	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.7	-161.4	-59.5	172.2	0	0	0	110.3	H296 V297 V299 Q309 L313 W348 W350	H296-I311 WeakPolarHBondContact CB-O 3.44Å; V297-I311 HydrophobicContact CB-CB 4.43Å; V297-I311 PolarHBondContact N-O 3.34Å; V297-I311 PolarHBondContact O-N 2.88Å; V299-I311 HydrophobicContact CG2-CD1 3.92Å; Q309-I311 HydrophobicContact CB-CD1 4.2Å; Q309-I311 HydrophobicContact CB-CG1 4.22Å; I311-L313 PolarHBondContact O-N 2.85Å; I311-W348 HydrophobicContact CG2-CD2 3.45Å; I311-W348 VanDerWaalsContact CG2-CD2 3.45Å; I311-W348 HydrophobicContact CG2-CE3 3.39Å; I311-W348 HydrophobicContact CG2-CG 3.97Å; I311-W348 HydrophobicContact CG2-CH2 4.17Å; I311-W348 HydrophobicContact CG2-CZ2 4.2Å; I311-W348 HydrophobicContact CG2-CZ3 3.76Å; I311-W350 HydrophobicContact CD1-CB 3.5Å; I311-W350 VanDerWaalsContact CD1-CB 3.5Å
312	G	93.9	Very high	97	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	28%	0.282	C	S	.	.			trans	77.5	11.1	170.6	0	0	0	0	0	116.8	G314 T315 F316	G312-G314 PolarHBondContact O-N 2.93Å; G312-T315 WeakPolarHBondContact O-CA 3.46Å; G312-T315 WeakPolarHBondContact O-CB 3.14Å; G312-T315 PolarHBondContact O-N 2.99Å; G312-F316 PolarHBondContact O-N 2.93Å
313	L	94.3	Very high	97	Very high	100 Å²	100	48.7 Å²	48.7	52%	0.524	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	131.5	164.8	-69.9	169.1	0	0	0	109.8	Q294 H296 V310 I311 T315	Q294-L313 HydrophobicContact CB-CD2 4.27Å; H296-L313 HydrophobicContact CB-CD2 3.85Å; H296-L313 HydrophobicContact CB-CG 4.16Å; V310-L313 HydrophobicContact CG1-CD1 3.92Å; V310-L313 HydrophobicContact CG1-CG 4.21Å; I311-L313 PolarHBondContact O-N 2.85Å; L313-T315 PolarHBondContact O-N 2.88Å
314	G	93.1	Very high	97	Very high	61 Å²	61	44.4 Å²	44.4	63%	0.629	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	10.2	-174.3	0	0	0	0	0	115.7	G312	G312-G314 PolarHBondContact O-N 2.93Å
315	T	96.2	Very high	97	Very high	42 Å²	42	41.3 Å²	41.3	26%	0.258	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-47.6	178.5	-56.3	0	0	0	0	112.9	G312 L313 W348 K355	G312-T315 WeakPolarHBondContact O-CA 3.46Å; G312-T315 WeakPolarHBondContact O-CB 3.14Å; G312-T315 PolarHBondContact O-N 2.99Å; L313-T315 PolarHBondContact O-N 2.88Å; T315-W348 HydrophobicContact CG2-CH2 4.25Å; T315-W348 HydrophobicContact CG2-CZ2 3.88Å; T315-K355 HydrophobicContact CG2-CD 4.02Å
316	F	97.6	Very high	97	Very high	9 Å²	9	39 Å²	39	4%	0.039	22%	0.223	C	C	.	.			trans	-81.5	144.1	-179.4	-51.1	-47.3	0	0	0	111.2	P295 V297 G312 V320 V336 D338 W348	P295-F316 HydrophobicContact CB-CB 4.42Å; P295-F316 HydrophobicContact CG-CB 4.02Å; P295-F316 WeakPolarHBondContact CG-O 3.4Å; V297-F316 HydrophobicContact CB-CE2 4.4Å; V297-F316 HydrophobicContact CG2-CE2 3.84Å; V297-F316 HydrophobicContact CG2-CZ 4.31Å; G312-F316 PolarHBondContact O-N 2.93Å; F316-V320 HydrophobicContact CD2-CG2 3.72Å; F316-V320 HydrophobicContact CE2-CG2 4.17Å; F316-V320 HydrophobicContact CG-CG2 4.21Å; F316-V336 HydrophobicContact CD1-CG1 4.41Å; F316-V336 HydrophobicContact CE1-CB 4.05Å; F316-V336 HydrophobicContact CE1-CG1 3.73Å; F316-V336 HydrophobicContact CE2-CG1 4.26Å; F316-V336 HydrophobicContact CZ-CB 4Å; F316-V336 HydrophobicContact CZ-CG1 3.64Å; F316-V336 HydrophobicContact CZ-CG2 4.17Å; F316-D338 HydrophobicContact CB-CB 4.04Å; F316-D338 HydrophobicContact CD1-CB 4.15Å; F316-D338 HydrophobicContact CG-CB 4.42Å; F316-W348 HydrophobicContact CE1-CZ2 4.05Å; F316-W348 AromaticContact CE1-NE1 3.93Å; F316-W348 AromaticContact CZ-CZ2 3.91Å; F316-W348 HydrophobicContact CZ-CZ2 3.91Å; F316-W348 AromaticContact CZ-NE1 3.8Å
317	E	95.8	Very high	96.9	Very high	130 Å²	130	40.2 Å²	40.2	61%	0.607	22%	0.222	S	C	*	.			trans	-110.8	146.2	171	-63.1	-172.7	174.5	0	0	111.9	G319 D338 C340	E317-G319 PolarHBondContact O-N 2.81Å; E317-D338 PolarHBondContact N-OD2 3.31Å; E317-C340 HydrophobicContact CB-CB 3.79Å; E317-C340 PolarHBondContact O-N 3.42Å
318	R	95.8	Very high	96.7	Very high	155 Å²	155	39.6 Å²	39.6	59%	0.585	22%	0.222	S	C	*	.	S	Bend	trans	63.3	-41	176.7	-59.4	177	57.5	-158	-11.7	116.6	A284 D339 N341	A284-R318 VanDerWaalsContact CB-O 3.25Å; A284-R318 WeakPolarHBondContact CB-O 3.34Å; A284-R318 PolarHBondContact N-O 2.84Å; R318-D339 HydrophobicContact CB-CB 4.14Å; R318-D339 WeakPolarHBondContact CD-O 3.32Å; R318-D339 PolarHBondContact NH1-O 3.33Å; R318-N341 PolarHBondContact NH1-OD1 2.9Å
319	G	97.2	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	173.2	173.3	-179.1	0	0	0	0	0	112.9	E317 D338 D339	E317-G319 PolarHBondContact O-N 2.81Å; G319-D338 CarbonylContact O-C 3.59Å; G319-D338 WeakPolarHBondContact O-CA 3.4Å; G319-D338 WeakPolarHBondContact O-CB 3.17Å; G319-D339 WeakPolarHBondContact CA-OD2 3.34Å; G319-D339 PolarHBondContact O-N 3.45Å
320	V	98.1	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	103.3	172.9	-173	0	0	0	0	108.5	C268 Q282 P295 V297 F316 L323 V336	C268-V320 PolarHBondContact SG-O 3.22Å; Q282-V320 PolarHBondContact O-N 2.98Å; P295-V320 HydrophobicContact CB-CG2 4.49Å; V297-V320 HydrophobicContact CG2-CG1 3.87Å; V297-V320 HydrophobicContact CG2-CG2 4.08Å; F316-V320 HydrophobicContact CD2-CG2 3.72Å; F316-V320 HydrophobicContact CE2-CG2 4.17Å; F316-V320 HydrophobicContact CG-CG2 4.21Å; V320-L323 HydrophobicContact CG1-CD2 4.2Å; V320-V336 HydrophobicContact CG1-CG1 3.38Å
321	G	96.3	Very high	96.2	Very high	27 Å²	27	38.6 Å²	38.6	28%	0.278	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-34	-172.5	0	0	0	0	0	114	I337 D339	G321-I337 PolarHBondContact N-O 3.32Å; G321-D339 WeakPolarHBondContact CA-OD1 3.26Å; G321-D339 PolarHBondContact N-OD2 2.95Å
322	S	97.5	Very high	96.2	Very high	18 Å²	18	43.2 Å²	43.2	13%	0.126	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	148	177.9	-166.8	0	0	0	0	111.5	I337 V369	S322-I337 PolarHBondContact N-O 2.91Å; S322-I337 PolarHBondContact O-N 2.73Å; S322-V369 PolarHBondContact OG-N 3.02Å
323	L	98.3	Very high	96.4	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.047	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	151.5	175.3	63.4	88.4	0	0	0	110.4	C268 A270 A279 V297 V320 L334 S335 V336	C268-L323 VanDerWaalsContact SG-CD2 3.56Å; A270-L323 HydrophobicContact CB-CD1 3.49Å; A270-L323 VanDerWaalsContact CB-CD1 3.49Å; A279-L323 HydrophobicContact CB-CD1 3.56Å; V297-L323 HydrophobicContact CG1-CD2 4.02Å; V297-L323 HydrophobicContact CG2-CD2 3.8Å; V320-L323 HydrophobicContact CG1-CD2 4.2Å; L323-L334 HydrophobicContact CD1-CD1 4.08Å; L323-S335 CarbonylContact C-O 3.59Å; L323-S335 WeakPolarHBondContact CA-O 3.46Å; L323-S335 WeakPolarHBondContact CB-O 3.4Å; L323-V336 HydrophobicContact CB-CG1 4.4Å; L323-V336 HydrophobicContact CB-CG2 4.16Å
324	A	98.4	Very high	96.6	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	141.9	176	0	0	0	0	0	111.5	L334 S335 V369	A324-L334 WeakPolarHBondContact O-CD1 3.24Å; A324-S335 PolarHBondContact N-O 2.91Å; A324-S335 PolarHBondContact O-N 2.82Å; A324-S335 PolarHBondContact O-OG 2.82Å; A324-V369 VanDerWaalsContact CB-O 3.23Å; A324-V369 WeakPolarHBondContact CB-O 3.42Å
325	F	98.6	Very high	96.9	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	148.5	169.6	-72.9	-75.6	0	0	0	110.9	A270 H272 A279 V299 L334 W350 F371	A270-F325 HydrophobicContact CB-CD2 4.41Å; H272-F325 VanDerWaalsContact CA-CD2 3.47Å; H272-F325 HydrophobicContact CB-CD2 3.82Å; H272-F325 HydrophobicContact CB-CE2 3.68Å; H272-F325 HydrophobicContact CB-CG 4.27Å; H272-F325 HydrophobicContact CB-CZ 4.04Å; H272-F325 AromaticContact CD2-CD1 3.57Å; H272-F325 AromaticContact CD2-CE1 3.63Å; H272-F325 AromaticContact CD2-CG 3.89Å; H272-F325 AromaticContact CD2-CZ 4Å; A279-F325 HydrophobicContact CB-CD2 4.45Å; A279-F325 HydrophobicContact CB-CE2 3.48Å; A279-F325 VanDerWaalsContact CB-CE2 3.48Å; A279-F325 HydrophobicContact CB-CZ 3.53Å; V299-F325 HydrophobicContact CG1-CZ 4.09Å; V299-F325 HydrophobicContact CG2-CZ 4.35Å; F325-L334 HydrophobicContact CD1-CB 4.29Å; F325-L334 HydrophobicContact CD1-CD1 3.56Å; F325-L334 HydrophobicContact CD2-CD1 4.09Å; F325-L334 HydrophobicContact CE1-CB 4.42Å; F325-L334 HydrophobicContact CE1-CD1 3.72Å; F325-L334 HydrophobicContact CE2-CD1 4.24Å; F325-L334 HydrophobicContact CG-CD1 3.78Å; F325-L334 HydrophobicContact CZ-CD1 4.09Å; F325-W350 AromaticContact CD1-NE1 3.97Å; F325-W350 AromaticContact CE1-CD1 3.78Å; F325-W350 HydrophobicContact CE1-CD2 4.31Å; F325-W350 HydrophobicContact CE1-CG 4.17Å; F325-W350 AromaticContact CE1-NE1 3.66Å; F325-F371 VanDerWaalsContact C-CD2 3.44Å; F325-F371 WeakPolarHBondContact O-CD2 3.16Å
326	S	97.9	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.			trans	-58.7	155.2	162.9	44.8	0	0	0	0	111.5	P273 D329 G331 Q332 H333 F371	P273-S326 WeakPolarHBondContact CG-O 3.38Å; S326-D329 VanDerWaalsContact CB-OD1 3.23Å; S326-D329 WeakPolarHBondContact CB-OD1 3.12Å; S326-D329 VanDerWaalsContact CB-OD2 3.27Å; S326-D329 WeakPolarHBondContact CB-OD2 3.26Å; S326-D329 PolarHBondContact OG-OD1 3.07Å; S326-D329 PolarHBondContact OG-OD2 3.15Å; S326-G331 VanDerWaalsContact O-CA 3.24Å; S326-G331 WeakPolarHBondContact O-CA 3.34Å; S326-G331 VanDerWaalsContact OG-C 3.28Å; S326-G331 WeakPolarHBondContact OG-CA 3.41Å; S326-Q332 PolarHBondContact OG-N 2.86Å; S326-H333 PolarHBondContact N-O 3.43Å; S326-H333 WeakPolarHBondContact OG-CA 3.48Å; S326-H333 PolarHBondContact OG-N 2.87Å; S326-H333 PolarHBondContact OG-O 3.23Å; S326-F371 VanDerWaalsContact CA-CD2 3.48Å; S326-F371 VanDerWaalsContact CA-CG 3.48Å; S326-F371 VanDerWaalsContact N-CD2 3.29Å
327	K	95.4	Very high	97	Very high	77 Å²	77	34.5 Å²	34.5	34%	0.335	18%	0.182	S	C	.	.	S	Bend	trans	-125.7	-49.7	-171.7	-73.2	166.8	-177.6	165.4	0	111.2	D329 S330 E370	K327-D329 PolarHBondContact O-N 2.91Å; K327-D329 VanDerWaalsContact O-N 3.17Å; K327-S330 PolarHBondContact O-N 2.86Å; K327-E370 IonicContact NZ-OE1 2.65Å; K327-E370 PolarHBondContact NZ-OE1 2.88Å; K327-E370 IonicContact NZ-OE2 2.98Å; K327-E370 PolarHBondContact NZ-OE2 3.45Å
328	A	93.9	Very high	97.1	Very high	43 Å²	43	28.4 Å²	28.4	36%	0.355	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	-179.4	0	0	0	0	0	115.3	P373 P376	A328-P373 VanDerWaalsContact CA-O 3.26Å; A328-P373 WeakPolarHBondContact CA-O 3.48Å; A328-P373 WeakPolarHBondContact CB-O 3.43Å; A328-P373 PolarHBondContact N-O 3.18Å; A328-P376 HydrophobicContact CB-CB 4.13Å; A328-P376 HydrophobicContact CB-CG 4.42Å
329	D	93.8	Very high	97.2	Very high	26 Å²	26	23.2 Å²	23.2	14%	0.139	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	12.2	-179	61.9	26.7	0	0	0	113.4	S326 K327 G331 Q332 H333	S326-D329 VanDerWaalsContact CB-OD1 3.23Å; S326-D329 WeakPolarHBondContact CB-OD1 3.12Å; S326-D329 VanDerWaalsContact CB-OD2 3.27Å; S326-D329 WeakPolarHBondContact CB-OD2 3.26Å; S326-D329 PolarHBondContact OG-OD1 3.07Å; S326-D329 PolarHBondContact OG-OD2 3.15Å; K327-D329 PolarHBondContact O-N 2.91Å; K327-D329 VanDerWaalsContact O-N 3.17Å; D329-G331 VanDerWaalsContact C-N 3.34Å; D329-G331 WeakPolarHBondContact OD1-CA 3.35Å; D329-G331 PolarHBondContact OD1-N 2.62Å; D329-Q332 PolarHBondContact O-NE2 3.22Å; D329-Q332 PolarHBondContact OD1-N 3.05Å; D329-H333 IonicContact OD2-CD2 3.64Å; D329-H333 PolarHBondContact OD2-CD2 2.95Å
330	S	95.4	Very high	97.1	Very high	94 Å²	94	23.5 Å²	23.5	66%	0.657	14%	0.14	S	C	*	.	S	Bend	trans	67.5	21.2	-171.6	-49.7	0	0	0	0	116.1	H272 K327	H272-S330 PolarHBondContact CE1-O 2.67Å; K327-S330 PolarHBondContact O-N 2.86Å
331	G	96.8	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	94.5	22.7	170.2	0	0	0	0	0	114.8	H272 S326 D329 H333 W350	H272-G331 PolarHBondContact NE2-O 2.9Å; S326-G331 VanDerWaalsContact O-CA 3.24Å; S326-G331 WeakPolarHBondContact O-CA 3.34Å; S326-G331 VanDerWaalsContact OG-C 3.28Å; S326-G331 WeakPolarHBondContact OG-CA 3.41Å; D329-G331 VanDerWaalsContact C-N 3.34Å; D329-G331 WeakPolarHBondContact OD1-CA 3.35Å; D329-G331 PolarHBondContact OD1-N 2.62Å; G331-H333 PolarHBondContact O-N 2.83Å; G331-W350 PolarHBondContact O-NE1 3.48Å
332	Q	96.4	Very high	97.1	Very high	101 Å²	101	30.1 Å²	30.1	47%	0.472	17%	0.169	S	C	.	.			trans	-63.6	-27.2	-177.6	-71.6	176	65.6	0	0	113.1	S326 D329 W350	S326-Q332 PolarHBondContact OG-N 2.86Å; D329-Q332 PolarHBondContact O-NE2 3.22Å; D329-Q332 PolarHBondContact OD1-N 3.05Å; Q332-W350 VanDerWaalsContact O-CD1 3.3Å
333	H	98	Very high	97.1	Very high	30 Å²	30	30.3 Å²	30.3	14%	0.139	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.9	-175.8	-61.5	-56.8	0	0	0	113.6	S326 D329 G331 V347 W348 I356 F371 W392	S326-H333 PolarHBondContact N-O 3.43Å; S326-H333 WeakPolarHBondContact OG-CA 3.48Å; S326-H333 PolarHBondContact OG-N 2.87Å; S326-H333 PolarHBondContact OG-O 3.23Å; D329-H333 IonicContact OD2-CD2 3.64Å; D329-H333 PolarHBondContact OD2-CD2 2.95Å; G331-H333 PolarHBondContact O-N 2.83Å; H333-V347 HydrophobicContact CB-CG1 4.37Å; H333-W348 CarbonylContact C-O 3.57Å; H333-W348 VanDerWaalsContact CA-O 3.25Å; H333-W348 WeakPolarHBondContact CA-O 3.39Å; H333-W348 PolarHBondContact ND1-O 2.86Å; H333-I356 VanDerWaalsContact CE1-CD1 3.47Å; H333-I356 WeakPolarHBondContact CE1-CD1 3.31Å; H333-I356 VanDerWaalsContact ND1-CD1 3.34Å; H333-I356 WeakPolarHBondContact ND1-CD1 3.01Å; H333-F371 HydrophobicContact CB-CZ 4.11Å; H333-W392 HydrophobicContact CB-CH2 4.22Å; H333-W392 HydrophobicContact CB-CZ3 4.37Å; H333-W392 AromaticContact CD2-CH2 3.48Å; H333-W392 VanDerWaalsContact CD2-CH2 3.48Å; H333-W392 WeakPolarHBondContact CD2-CH2 3.21Å; H333-W392 AromaticContact CD2-CZ3 3.71Å; H333-W392 AromaticContact CG-CH2 3.59Å; H333-W392 AromaticContact ND1-CH2 3.97Å; H333-W392 AromaticContact NE2-CH2 3.78Å
334	L	98.5	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	176.1	-174.1	75.1	0	0	0	109.8	A279 V297 L323 A324 F325 V336 W348 W350	A279-L334 HydrophobicContact CB-CD1 4.15Å; A279-L334 HydrophobicContact CB-CD2 4.35Å; V297-L334 HydrophobicContact CG1-CD2 3.85Å; L323-L334 HydrophobicContact CD1-CD1 4.08Å; A324-L334 WeakPolarHBondContact O-CD1 3.24Å; F325-L334 HydrophobicContact CD1-CB 4.29Å; F325-L334 HydrophobicContact CD1-CD1 3.56Å; F325-L334 HydrophobicContact CD2-CD1 4.09Å; F325-L334 HydrophobicContact CE1-CB 4.42Å; F325-L334 HydrophobicContact CE1-CD1 3.72Å; F325-L334 HydrophobicContact CE2-CD1 4.24Å; F325-L334 HydrophobicContact CG-CD1 3.78Å; F325-L334 HydrophobicContact CZ-CD1 4.09Å; L334-V336 HydrophobicContact CD2-CG2 3.97Å; L334-V336 HydrophobicContact CG-CG2 4.07Å; L334-W348 PolarHBondContact N-O 2.92Å; L334-W348 PolarHBondContact O-N 3.42Å; L334-W350 HydrophobicContact CB-CB 4.15Å
335	S	98.3	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.7	170.6	63.8	0	0	0	0	109.7	L323 A324 T346 V369 F371	L323-S335 CarbonylContact C-O 3.59Å; L323-S335 WeakPolarHBondContact CA-O 3.46Å; L323-S335 WeakPolarHBondContact CB-O 3.4Å; A324-S335 PolarHBondContact N-O 2.91Å; A324-S335 PolarHBondContact O-N 2.82Å; A324-S335 PolarHBondContact O-OG 2.82Å; S335-T346 CarbonylContact C-O 3.54Å; S335-T346 WeakPolarHBondContact CA-O 3.44Å; S335-V369 WeakPolarHBondContact OG-CG2 3.33Å; S335-F371 VanDerWaalsContact CB-CE2 3.5Å; S335-F371 WeakPolarHBondContact OG-CE2 3.2Å
336	V	98.6	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.4	-177.8	-172	0	0	0	0	109.9	V297 F316 V320 L323 L334 T346	V297-V336 HydrophobicContact CG2-CG1 4.05Å; V297-V336 HydrophobicContact CG2-CG2 4.16Å; F316-V336 HydrophobicContact CD1-CG1 4.41Å; F316-V336 HydrophobicContact CE1-CB 4.05Å; F316-V336 HydrophobicContact CE1-CG1 3.73Å; F316-V336 HydrophobicContact CE2-CG1 4.26Å; F316-V336 HydrophobicContact CZ-CB 4Å; F316-V336 HydrophobicContact CZ-CG1 3.64Å; F316-V336 HydrophobicContact CZ-CG2 4.17Å; V320-V336 HydrophobicContact CG1-CG1 3.38Å; L323-V336 HydrophobicContact CB-CG1 4.4Å; L323-V336 HydrophobicContact CB-CG2 4.16Å; L334-V336 HydrophobicContact CD2-CG2 3.97Å; L334-V336 HydrophobicContact CG-CG2 4.07Å; V336-T346 PolarHBondContact N-O 3.02Å; V336-T346 PolarHBondContact O-N 3.13Å; V336-T346 PolarHBondContact O-OG1 2.9Å
337	I	98.6	Very high	97.1	Very high	3 Å²	3	31 Å²	31	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128	169	-63.4	-73.1	0	0	0	108.5	G321 S322 H343 M344 L345 T361 V366 V369 T381	G321-I337 PolarHBondContact N-O 3.32Å; S322-I337 PolarHBondContact N-O 2.91Å; S322-I337 PolarHBondContact O-N 2.73Å; I337-H343 HydrophobicContact CG2-CB 4.21Å; I337-M344 WeakPolarHBondContact CA-O 3.36Å; I337-L345 HydrophobicContact CD1-CB 3.76Å; I337-L345 HydrophobicContact CD1-CD1 4.01Å; I337-L345 HydrophobicContact CD1-CG 4.44Å; I337-T361 WeakPolarHBondContact CD1-OG1 3.38Å; I337-V366 HydrophobicContact CD1-CG1 4.2Å; I337-V366 HydrophobicContact CG1-CG1 4.13Å; I337-V366 HydrophobicContact CG2-CB 4.03Å; I337-V366 HydrophobicContact CG2-CG1 4.06Å; I337-V366 HydrophobicContact CG2-CG2 4.47Å; I337-V369 HydrophobicContact CD1-CB 4.5Å; I337-V369 HydrophobicContact CG1-CB 3.7Å; I337-V369 HydrophobicContact CG1-CG1 3.84Å; I337-V369 HydrophobicContact CG1-CG2 4.37Å; I337-T381 HydrophobicContact CD1-CG2 4.04Å
338	D	97.9	Very high	97.2	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	163.9	173.2	81.6	-9.8	0	0	0	113.6	F316 E317 G319 C340 H343 M344	F316-D338 HydrophobicContact CB-CB 4.04Å; F316-D338 HydrophobicContact CD1-CB 4.15Å; F316-D338 HydrophobicContact CG-CB 4.42Å; E317-D338 PolarHBondContact N-OD2 3.31Å; G319-D338 CarbonylContact O-C 3.59Å; G319-D338 WeakPolarHBondContact O-CA 3.4Å; G319-D338 WeakPolarHBondContact O-CB 3.17Å; D338-C340 PolarHBondContact O-N 2.84Å; D338-C340 WeakPolarHBondContact OD1-CB 3.3Å; D338-C340 PolarHBondContact OD1-N 3.14Å; D338-C340 PolarHBondContact OD1-SG 3.13Å; D338-H343 PolarHBondContact O-ND1 3.47Å; D338-M344 PolarHBondContact N-O 2.88Å; D338-M344 WeakPolarHBondContact OD1-CB 3.4Å; D338-M344 PolarHBondContact OD1-N 3.32Å
339	D	96.4	Very high	97.4	Very high	45 Å²	45	26.5 Å²	26.5	24%	0.241	14%	0.143	C	C	.	.	S	Bend	trans	-87.2	20.2	179	-66.5	-48.5	0	0	0	112.6	R318 G319 G321	R318-D339 HydrophobicContact CB-CB 4.14Å; R318-D339 WeakPolarHBondContact CD-O 3.32Å; R318-D339 PolarHBondContact NH1-O 3.33Å; G319-D339 WeakPolarHBondContact CA-OD2 3.34Å; G319-D339 PolarHBondContact O-N 3.45Å; G321-D339 WeakPolarHBondContact CA-OD1 3.26Å; G321-D339 PolarHBondContact N-OD2 2.95Å
340	C	96.6	Very high	97.5	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.047	14%	0.138	C	C	.	.	S	Bend	trans	-69.1	165.1	172.5	93.2	0	0	0	0	111.2	E317 D338 D342 H343	E317-C340 HydrophobicContact CB-CB 3.79Å; E317-C340 PolarHBondContact O-N 3.42Å; D338-C340 PolarHBondContact O-N 2.84Å; D338-C340 WeakPolarHBondContact OD1-CB 3.3Å; D338-C340 PolarHBondContact OD1-N 3.14Å; D338-C340 PolarHBondContact OD1-SG 3.13Å; C340-D342 PolarHBondContact O-N 3.37Å; C340-D342 VanDerWaalsContact O-N 3.1Å; C340-D342 PolarHBondContact SG-N 3.42Å; C340-D342 VanDerWaalsContact SG-N 3.41Å; C340-H343 PolarHBondContact O-N 2.9Å; C340-H343 VanDerWaalsContact O-N 3.08Å; C340-H343 PolarHBondContact O-ND1 3.16Å; C340-H343 PolarHBondContact SG-N 3.01Å; C340-H343 VanDerWaalsContact SG-N 3.4Å
341	N	96.1	Very high	97.6	Very high	112 Å²	112	25.7 Å²	25.7	60%	0.599	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.5	-173.4	-59.9	-9.6	0	0	0	114.7	R318	R318-N341 PolarHBondContact NH1-OD1 2.9Å
342	D	96.8	Very high	97.6	Very high	53 Å²	53	33 Å²	33	28%	0.283	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	2.9	175.3	-68.8	-77.5	0	0	0	112.9	C340 K360 T361 T362	C340-D342 PolarHBondContact O-N 3.37Å; C340-D342 VanDerWaalsContact O-N 3.1Å; C340-D342 PolarHBondContact SG-N 3.42Å; C340-D342 VanDerWaalsContact SG-N 3.41Å; D342-K360 HydrophobicContact CB-CB 4.29Å; D342-K360 HydrophobicContact CB-CD 3.8Å; D342-K360 HydrophobicContact CB-CG 3.89Å; D342-K360 IonicContact OD1-NZ 2.76Å; D342-K360 PolarHBondContact OD1-NZ 2.83Å; D342-K360 WeakPolarHBondContact OD2-CE 3.27Å; D342-K360 IonicContact OD2-NZ 2.69Å; D342-K360 PolarHBondContact OD2-NZ 3.32Å; D342-T361 PolarHBondContact O-N 2.81Å; D342-T362 CarbonylContact C-O 3.22Å; D342-T362 PolarHBondContact O-N 3.33Å; D342-T362 VanDerWaalsContact O-O 3.06Å
343	H	97.8	Very high	97.5	Very high	23 Å²	23	33.8 Å²	33.8	11%	0.106	16%	0.161	C	C	.	.			trans	40.4	83.9	-174.1	-66.7	-61.5	0	0	0	113.2	I337 D338 C340 L345 T361 T362 D364 V366	I337-H343 HydrophobicContact CG2-CB 4.21Å; D338-H343 PolarHBondContact O-ND1 3.47Å; C340-H343 PolarHBondContact O-N 2.9Å; C340-H343 VanDerWaalsContact O-N 3.08Å; C340-H343 PolarHBondContact O-ND1 3.16Å; C340-H343 PolarHBondContact SG-N 3.01Å; C340-H343 VanDerWaalsContact SG-N 3.4Å; H343-L345 PolarHBondContact O-N 2.71Å; H343-T361 WeakPolarHBondContact O-CB 3.46Å; H343-T361 PolarHBondContact O-N 2.91Å; H343-T361 PolarHBondContact O-OG1 3.08Å; H343-T362 PolarHBondContact CD2-O 3.16Å; H343-D364 PolarHBondContact CD2-O 3.41Å; H343-V366 HydrophobicContact CB-CB 4.45Å; H343-V366 HydrophobicContact CB-CG2 3.61Å
344	M	98.1	Very high	97.5	Very high	35 Å²	35	34.7 Å²	34.7	17%	0.172	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.1	-175.1	-64.5	-55.8	-61.2	0	0	110.8	I337 D338 T346 E358 K360	I337-M344 WeakPolarHBondContact CA-O 3.36Å; D338-M344 PolarHBondContact N-O 2.88Å; D338-M344 WeakPolarHBondContact OD1-CB 3.4Å; D338-M344 PolarHBondContact OD1-N 3.32Å; M344-T346 HydrophobicContact CB-CG2 4.38Å; M344-E358 HydrophobicContact CE-CG 3.33Å; M344-K360 HydrophobicContact CE-CG 4.19Å; M344-K360 HydrophobicContact SD-CB 4.43Å; M344-K360 HydrophobicContact SD-CG 3.56Å; M344-K360 VanDerWaalsContact SD-CG 3.56Å
345	L	98.5	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.3	163.4	172.7	59.1	0	0	0	108.4	I337 H343 E358 I359 T361 V369 I379 T381 W390 L397	I337-L345 HydrophobicContact CD1-CB 3.76Å; I337-L345 HydrophobicContact CD1-CD1 4.01Å; I337-L345 HydrophobicContact CD1-CG 4.44Å; H343-L345 PolarHBondContact O-N 2.71Å; L345-E358 CarbonylContact O-C 3.56Å; L345-E358 WeakPolarHBondContact O-CA 3.35Å; L345-I359 HydrophobicContact CB-CG2 3.99Å; L345-I359 HydrophobicContact CD2-CG2 4.27Å; L345-I359 HydrophobicContact CG-CG2 4.37Å; L345-I359 PolarHBondContact N-O 3.16Å; L345-I359 PolarHBondContact O-N 3.32Å; L345-T361 WeakPolarHBondContact CB-OG1 3.4Å; L345-T361 PolarHBondContact N-OG1 2.85Å; L345-V369 HydrophobicContact CD1-CG2 3.92Å; L345-I379 HydrophobicContact CD1-CG2 4.5Å; L345-I379 HydrophobicContact CD2-CG2 4.39Å; L345-T381 HydrophobicContact CD2-CG2 4.28Å; L345-W390 HydrophobicContact CD2-CB 4.44Å; L345-W390 HydrophobicContact CD2-CD2 3.77Å; L345-W390 HydrophobicContact CD2-CE3 4.36Å; L345-W390 HydrophobicContact CD2-CG 3.79Å; L345-L397 HydrophobicContact CD2-CD1 4.07Å; L345-L397 HydrophobicContact CG-CD1 4.08Å
346	T	98.3	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.1	174.5	60.9	0	0	0	0	110.4	S335 V336 M344 W348 K355 A357 E358	S335-T346 CarbonylContact C-O 3.54Å; S335-T346 WeakPolarHBondContact CA-O 3.44Å; V336-T346 PolarHBondContact N-O 3.02Å; V336-T346 PolarHBondContact O-N 3.13Å; V336-T346 PolarHBondContact O-OG1 2.9Å; M344-T346 HydrophobicContact CB-CG2 4.38Å; T346-W348 PolarHBondContact OG1-NE1 3.14Å; T346-K355 HydrophobicContact CG2-CD 3.95Å; T346-A357 WeakPolarHBondContact CA-O 3.36Å; T346-E358 HydrophobicContact CG2-CB 4.26Å; T346-E358 HydrophobicContact CG2-CG 4.04Å; T346-E358 WeakPolarHBondContact CG2-OE1 3.42Å
347	V	98.3	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.8	176.1	-175.3	0	0	0	0	108.9	H333 I356 A357 F371 I379 W392 L397	H333-V347 HydrophobicContact CB-CG1 4.37Å; V347-I356 PolarHBondContact O-N 2.89Å; V347-A357 HydrophobicContact CB-CB 4.37Å; V347-A357 PolarHBondContact N-O 3.43Å; V347-A357 PolarHBondContact O-N 2.79Å; V347-F371 HydrophobicContact CG1-CZ 4.28Å; V347-I379 HydrophobicContact CG2-CD1 3.52Å; V347-W392 HydrophobicContact CB-CZ2 4.43Å; V347-W392 HydrophobicContact CG1-CD2 4.34Å; V347-W392 HydrophobicContact CG1-CH2 3.87Å; V347-W392 HydrophobicContact CG1-CZ2 3.6Å; V347-W392 HydrophobicContact CG1-CZ3 4.31Å; V347-L397 HydrophobicContact CG2-CD1 4.19Å; V347-L397 HydrophobicContact CG2-CD2 4.34Å
348	W	98.2	Very high	97.2	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.045	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142	-172.2	-61.1	79.3	0	0	0	111.3	I311 T315 F316 H333 L334 T346 W350 S354 K355	I311-W348 HydrophobicContact CG2-CD2 3.45Å; I311-W348 VanDerWaalsContact CG2-CD2 3.45Å; I311-W348 HydrophobicContact CG2-CE3 3.39Å; I311-W348 HydrophobicContact CG2-CG 3.97Å; I311-W348 HydrophobicContact CG2-CH2 4.17Å; I311-W348 HydrophobicContact CG2-CZ2 4.2Å; I311-W348 HydrophobicContact CG2-CZ3 3.76Å; T315-W348 HydrophobicContact CG2-CH2 4.25Å; T315-W348 HydrophobicContact CG2-CZ2 3.88Å; F316-W348 HydrophobicContact CE1-CZ2 4.05Å; F316-W348 AromaticContact CE1-NE1 3.93Å; F316-W348 AromaticContact CZ-CZ2 3.91Å; F316-W348 HydrophobicContact CZ-CZ2 3.91Å; F316-W348 AromaticContact CZ-NE1 3.8Å; H333-W348 CarbonylContact C-O 3.57Å; H333-W348 VanDerWaalsContact CA-O 3.25Å; H333-W348 WeakPolarHBondContact CA-O 3.39Å; H333-W348 PolarHBondContact ND1-O 2.86Å; L334-W348 PolarHBondContact N-O 2.92Å; L334-W348 PolarHBondContact O-N 3.42Å; T346-W348 PolarHBondContact OG1-NE1 3.14Å; W348-W350 PolarHBondContact O-N 2.99Å; W348-S354 WeakPolarHBondContact CA-O 3.49Å; W348-K355 HydrophobicContact CD2-CB 4.01Å; W348-K355 HydrophobicContact CD2-CG 4.3Å; W348-K355 HydrophobicContact CE3-CB 3.78Å; W348-K355 VanDerWaalsContact CE3-N 3.27Å; W348-K355 HydrophobicContact CH2-CB 3.83Å; W348-K355 HydrophobicContact CH2-CD 4.2Å; W348-K355 HydrophobicContact CH2-CG 4.37Å; W348-K355 HydrophobicContact CZ2-CB 4.05Å; W348-K355 HydrophobicContact CZ2-CD 3.83Å; W348-K355 HydrophobicContact CZ2-CG 4.1Å; W348-K355 HydrophobicContact CZ3-CB 3.7Å
349	D	97.6	Very high	97.2	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	104	149.4	-177.4	-42.9	0	0	0	106	Q351 K352 K353 S354 I356	D349-Q351 VanDerWaalsContact C-N 3.3Å; D349-Q351 PolarHBondContact O-N 3.02Å; D349-Q351 PolarHBondContact OD1-N 3.33Å; D349-Q351 VanDerWaalsContact OD1-N 3.13Å; D349-K352 HydrophobicContact CB-CB 4.2Å; D349-K352 WeakPolarHBondContact OD1-CB 3.47Å; D349-K352 WeakPolarHBondContact OD1-CG 3.39Å; D349-K352 PolarHBondContact OD1-N 3Å; D349-K352 VanDerWaalsContact OD2-CD 3.31Å; D349-K352 WeakPolarHBondContact OD2-CD 3.42Å; D349-K352 WeakPolarHBondContact OD2-CE 3.47Å; D349-K352 WeakPolarHBondContact OD2-CG 3.47Å; D349-K352 IonicContact OD2-NZ 3.83Å; D349-K352 PolarHBondContact OD2-NZ 3.29Å; D349-K353 PolarHBondContact O-N 2.66Å; D349-S354 PolarHBondContact N-O 3.26Å; D349-S354 PolarHBondContact O-N 3Å; D349-S354 VanDerWaalsContact O-N 3.08Å; D349-I356 HydrophobicContact CB-CD1 4.05Å; D349-I356 HydrophobicContact CB-CG1 4.38Å
350	W	97.3	Very high	97.3	Very high	7 Å²	7	50.6 Å²	50.6	3%	0.027	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-28.8	-172.4	66.4	-96.8	0	0	0	111.7	H272 V299 Q309 I311 F325 G331 Q332 L334 W348 K353	H272-W350 AromaticContact NE2-CZ2 3.77Å; V299-W350 HydrophobicContact CB-CE3 4.02Å; V299-W350 HydrophobicContact CB-CZ3 4.39Å; V299-W350 HydrophobicContact CG1-CD2 4.33Å; V299-W350 HydrophobicContact CG1-CE3 3.73Å; V299-W350 HydrophobicContact CG1-CH2 4.35Å; V299-W350 HydrophobicContact CG1-CZ3 3.75Å; V299-W350 HydrophobicContact CG2-CB 4.26Å; V299-W350 HydrophobicContact CG2-CD2 4.34Å; V299-W350 HydrophobicContact CG2-CE3 4.05Å; V299-W350 HydrophobicContact CG2-CG 4.46Å; Q309-W350 HydrophobicContact CG-CE3 3.88Å; Q309-W350 HydrophobicContact CG-CZ3 4.15Å; Q309-W350 WeakPolarHBondContact CG-O 3.28Å; I311-W350 HydrophobicContact CD1-CB 3.5Å; I311-W350 VanDerWaalsContact CD1-CB 3.5Å; F325-W350 AromaticContact CD1-NE1 3.97Å; F325-W350 AromaticContact CE1-CD1 3.78Å; F325-W350 HydrophobicContact CE1-CD2 4.31Å; F325-W350 HydrophobicContact CE1-CG 4.17Å; F325-W350 AromaticContact CE1-NE1 3.66Å; G331-W350 PolarHBondContact O-NE1 3.48Å; Q332-W350 VanDerWaalsContact O-CD1 3.3Å; L334-W350 HydrophobicContact CB-CB 4.15Å; W348-W350 PolarHBondContact O-N 2.99Å; W350-K353 PolarHBondContact O-N 2.91Å
351	Q	96.7	Very high	97.3	Very high	96 Å²	96	50.3 Å²	50.3	45%	0.449	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-38.8	178.6	-59.6	-177.3	11.9	0	0	111.7	Q309 D349 K353	Q309-Q351 PolarHBondContact NE2-O 2.95Å; D349-Q351 VanDerWaalsContact C-N 3.3Å; D349-Q351 PolarHBondContact O-N 3.02Å; D349-Q351 PolarHBondContact OD1-N 3.33Å; D349-Q351 VanDerWaalsContact OD1-N 3.13Å; Q351-K353 VanDerWaalsContact C-N 3.35Å
352	K	96.5	Very high	97.3	Very high	152 Å²	152	46.3 Å²	46.3	66%	0.661	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.5	176	-59.1	-175.7	-170.2	83.9	0	113.4	D349 S354	D349-K352 HydrophobicContact CB-CB 4.2Å; D349-K352 WeakPolarHBondContact OD1-CB 3.47Å; D349-K352 WeakPolarHBondContact OD1-CG 3.39Å; D349-K352 PolarHBondContact OD1-N 3Å; D349-K352 VanDerWaalsContact OD2-CD 3.31Å; D349-K352 WeakPolarHBondContact OD2-CD 3.42Å; D349-K352 WeakPolarHBondContact OD2-CE 3.47Å; D349-K352 WeakPolarHBondContact OD2-CG 3.47Å; D349-K352 IonicContact OD2-NZ 3.83Å; D349-K352 PolarHBondContact OD2-NZ 3.29Å; K352-S354 PolarHBondContact O-N 2.83Å
353	K	95.6	Very high	97.3	Very high	118 Å²	118	48.7 Å²	48.7	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	20.4	-172.2	-53.8	-178.5	-177.1	178.6	0	114.4	D349 W350 Q351	D349-K353 PolarHBondContact O-N 2.66Å; W350-K353 PolarHBondContact O-N 2.91Å; Q351-K353 VanDerWaalsContact C-N 3.35Å
354	S	96.2	Very high	97.2	Very high	50 Å²	50	49.7 Å²	49.7	35%	0.35	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.4	-170.1	57.2	0	0	0	0	112.2	W348 D349 K352 I356	W348-S354 WeakPolarHBondContact CA-O 3.49Å; D349-S354 PolarHBondContact N-O 3.26Å; D349-S354 PolarHBondContact O-N 3Å; D349-S354 VanDerWaalsContact O-N 3.08Å; K352-S354 PolarHBondContact O-N 2.83Å; S354-I356 PolarHBondContact O-N 3.15Å
355	K	97.3	Very high	97.1	Very high	77 Å²	77	51.3 Å²	51.3	34%	0.335	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.6	169.7	-166.6	168.7	70.6	-176.9	0	109.1	T315 T346 W348 E358	T315-K355 HydrophobicContact CG2-CD 4.02Å; T346-K355 HydrophobicContact CG2-CD 3.95Å; W348-K355 HydrophobicContact CD2-CB 4.01Å; W348-K355 HydrophobicContact CD2-CG 4.3Å; W348-K355 HydrophobicContact CE3-CB 3.78Å; W348-K355 VanDerWaalsContact CE3-N 3.27Å; W348-K355 HydrophobicContact CH2-CB 3.83Å; W348-K355 HydrophobicContact CH2-CD 4.2Å; W348-K355 HydrophobicContact CH2-CG 4.37Å; W348-K355 HydrophobicContact CZ2-CB 4.05Å; W348-K355 HydrophobicContact CZ2-CD 3.83Å; W348-K355 HydrophobicContact CZ2-CG 4.1Å; W348-K355 HydrophobicContact CZ3-CB 3.7Å; K355-E358 HydrophobicContact CD-CB 4.24Å; K355-E358 WeakPolarHBondContact CE-OE1 3.26Å; K355-E358 WeakPolarHBondContact CE-OE2 3.41Å; K355-E358 IonicContact NZ-OE1 3.24Å; K355-E358 PolarHBondContact NZ-OE1 2.8Å; K355-E358 IonicContact NZ-OE2 3.83Å; K355-E358 PolarHBondContact NZ-OE2 2.91Å
356	I	97.4	Very high	97.1	Very high	46 Å²	46	52.1 Å²	52.1	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-42.6	-176	-33.4	173.8	0	0	0	110.6	H333 V347 D349 S354 W392 G394	H333-I356 VanDerWaalsContact CE1-CD1 3.47Å; H333-I356 WeakPolarHBondContact CE1-CD1 3.31Å; H333-I356 VanDerWaalsContact ND1-CD1 3.34Å; H333-I356 WeakPolarHBondContact ND1-CD1 3.01Å; V347-I356 PolarHBondContact O-N 2.89Å; D349-I356 HydrophobicContact CB-CD1 4.05Å; D349-I356 HydrophobicContact CB-CG1 4.38Å; S354-I356 PolarHBondContact O-N 3.15Å; I356-W392 HydrophobicContact CB-CZ2 4.32Å; I356-W392 HydrophobicContact CD1-CH2 4.03Å; I356-W392 HydrophobicContact CD1-CZ2 3.78Å; I356-W392 HydrophobicContact CG2-CZ2 4.37Å; I356-G394 WeakPolarHBondContact CG2-O 3.48Å
357	A	97.2	Very high	97	Very high	4 Å²	4	54 Å²	54	3%	0.033	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.4	178.4	0	0	0	0	0	111.7	T346 V347 L397	T346-A357 WeakPolarHBondContact CA-O 3.36Å; V347-A357 HydrophobicContact CB-CB 4.37Å; V347-A357 PolarHBondContact N-O 3.43Å; V347-A357 PolarHBondContact O-N 2.79Å; A357-L397 HydrophobicContact CB-CD1 3.9Å; A357-L397 HydrophobicContact CB-CG 4.01Å
358	E	96.8	Very high	97	Very high	90 Å²	90	54.7 Å²	54.7	42%	0.421	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	134.8	-178.2	173.2	161.3	-102.9	0	0	110.3	M344 L345 T346 K355	M344-E358 HydrophobicContact CE-CG 3.33Å; L345-E358 CarbonylContact O-C 3.56Å; L345-E358 WeakPolarHBondContact O-CA 3.35Å; T346-E358 HydrophobicContact CG2-CB 4.26Å; T346-E358 HydrophobicContact CG2-CG 4.04Å; T346-E358 WeakPolarHBondContact CG2-OE1 3.42Å; K355-E358 HydrophobicContact CD-CB 4.24Å; K355-E358 WeakPolarHBondContact CE-OE1 3.26Å; K355-E358 WeakPolarHBondContact CE-OE2 3.41Å; K355-E358 IonicContact NZ-OE1 3.24Å; K355-E358 PolarHBondContact NZ-OE1 2.8Å; K355-E358 IonicContact NZ-OE2 3.83Å; K355-E358 PolarHBondContact NZ-OE2 2.91Å
359	I	97.7	Very high	97	Very high	54 Å²	54	54.3 Å²	54.3	28%	0.277	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	154.1	177.2	-163.3	151.4	0	0	0	112	L345 W390 L397	L345-I359 HydrophobicContact CB-CG2 3.99Å; L345-I359 HydrophobicContact CD2-CG2 4.27Å; L345-I359 HydrophobicContact CG-CG2 4.37Å; L345-I359 PolarHBondContact N-O 3.16Å; L345-I359 PolarHBondContact O-N 3.32Å; I359-W390 HydrophobicContact CB-CZ3 4.38Å; I359-W390 HydrophobicContact CD1-CZ3 3.85Å; I359-W390 HydrophobicContact CG1-CZ3 4.04Å; I359-W390 HydrophobicContact CG2-CE3 3.97Å; I359-W390 HydrophobicContact CG2-CH2 3.92Å; I359-W390 HydrophobicContact CG2-CZ3 3.47Å; I359-W390 VanDerWaalsContact CG2-CZ3 3.47Å; I359-L397 HydrophobicContact CB-CB 4.44Å; I359-L397 HydrophobicContact CB-CD1 4.32Å; I359-L397 HydrophobicContact CD1-CB 4.37Å; I359-L397 VanDerWaalsContact CD1-O 3.25Å; I359-L397 WeakPolarHBondContact CD1-O 3.37Å; I359-L397 HydrophobicContact CG2-CB 3.95Å; I359-L397 HydrophobicContact CG2-CD1 3.61Å; I359-L397 HydrophobicContact CG2-CG 4.43Å
360	K	97.6	Very high	97	Very high	114 Å²	114	56 Å²	56	50%	0.496	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.8	170.9	-67.5	-174.5	170.9	-152.4	0	110	D342 M344	D342-K360 HydrophobicContact CB-CB 4.29Å; D342-K360 HydrophobicContact CB-CD 3.8Å; D342-K360 HydrophobicContact CB-CG 3.89Å; D342-K360 IonicContact OD1-NZ 2.76Å; D342-K360 PolarHBondContact OD1-NZ 2.83Å; D342-K360 WeakPolarHBondContact OD2-CE 3.27Å; D342-K360 IonicContact OD2-NZ 2.69Å; D342-K360 PolarHBondContact OD2-NZ 3.32Å; M344-K360 HydrophobicContact CE-CG 4.19Å; M344-K360 HydrophobicContact SD-CB 4.43Å; M344-K360 HydrophobicContact SD-CG 3.56Å; M344-K360 VanDerWaalsContact SD-CG 3.56Å
361	T	97.1	Very high	97	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.282	C	S	.	.			trans	-79.1	-62.8	-180	-49.4	0	0	0	0	110	I337 D342 H343 L345 V366 T381 F388 W390 R399	I337-T361 WeakPolarHBondContact CD1-OG1 3.38Å; D342-T361 PolarHBondContact O-N 2.81Å; H343-T361 WeakPolarHBondContact O-CB 3.46Å; H343-T361 PolarHBondContact O-N 2.91Å; H343-T361 PolarHBondContact O-OG1 3.08Å; L345-T361 WeakPolarHBondContact CB-OG1 3.4Å; L345-T361 PolarHBondContact N-OG1 2.85Å; T361-V366 HydrophobicContact CG2-CG2 3.77Å; T361-T381 HydrophobicContact CG2-CG2 4.28Å; T361-F388 HydrophobicContact CG2-CD2 4.02Å; T361-F388 HydrophobicContact CG2-CE2 4.3Å; T361-F388 WeakPolarHBondContact O-CE2 3.44Å; T361-W390 HydrophobicContact CG2-CZ2 3.73Å; T361-R399 PolarHBondContact O-NH1 3.28Å
362	T	96.4	Very high	96.9	Very high	28 Å²	28	51.4 Å²	51.4	17%	0.172	26%	0.262	C	S	.	.			trans	-174.6	159.8	-177.6	176.5	0	0	0	0	110.2	D342 H343 D364 V366 F388	D342-T362 CarbonylContact C-O 3.22Å; D342-T362 PolarHBondContact O-N 3.33Å; D342-T362 VanDerWaalsContact O-O 3.06Å; H343-T362 PolarHBondContact CD2-O 3.16Å; T362-D364 VanDerWaalsContact C-N 3.27Å; T362-D364 HydrophobicContact CG2-CB 4.42Å; T362-D364 WeakPolarHBondContact CG2-O 3.49Å; T362-D364 PolarHBondContact OG1-N 3.44Å; T362-D364 VanDerWaalsContact OG1-N 3.11Å; T362-V366 HydrophobicContact CG2-CG2 3.82Å; T362-F388 HydrophobicContact CG2-CE2 4.1Å
363	T	96.7	Very high	96.8	Very high	103 Å²	103	46.1 Å²	46.1	63%	0.632	24%	0.243	S	C	*	.	S	Bend	trans	-83.5	-0.9	169.8	55.2	0	0	0	0	113.3
364	D	96.7	Very high	96.6	Very high	44 Å²	44	45.2 Å²	45.2	24%	0.235	25%	0.248	C	C	.	.	S	Bend	trans	-97.5	145.3	174.1	-89	-52.5	0	0	0	111.1	H343 T362 V366 K384	H343-D364 PolarHBondContact CD2-O 3.41Å; T362-D364 VanDerWaalsContact C-N 3.27Å; T362-D364 HydrophobicContact CG2-CB 4.42Å; T362-D364 WeakPolarHBondContact CG2-O 3.49Å; T362-D364 PolarHBondContact OG1-N 3.44Å; T362-D364 VanDerWaalsContact OG1-N 3.11Å; D364-V366 PolarHBondContact O-N 3.42Å; D364-V366 VanDerWaalsContact O-N 3.13Å; D364-K384 HydrophobicContact CB-CB 4.2Å; D364-K384 HydrophobicContact CB-CD 4.4Å; D364-K384 HydrophobicContact CB-CG 4.42Å; D364-K384 VanDerWaalsContact OD1-CD 3.28Å; D364-K384 WeakPolarHBondContact OD1-CD 3.28Å; D364-K384 VanDerWaalsContact OD1-CE 3.24Å; D364-K384 WeakPolarHBondContact OD1-CE 3.38Å; D364-K384 IonicContact OD1-NZ 2.8Å; D364-K384 PolarHBondContact OD1-NZ 3.05Å
365	V	95.8	Very high	96.3	Very high	69 Å²	69	43.7 Å²	43.7	42%	0.418	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-49.9	117.2	-174.8	-178.7	0	0	0	0	112.5	L367 G383 K384	V365-L367 HydrophobicContact CG1-CD2 3.81Å; V365-L367 HydrophobicContact CG1-CG 4.32Å; V365-G383 WeakPolarHBondContact O-CA 3.4Å; V365-K384 HydrophobicContact CB-CB 4.17Å; V365-K384 PolarHBondContact O-N 3.07Å
366	V	97.8	Very high	96	Very high	17 Å²	17	42.3 Å²	42.3	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137	167.8	-174.1	0	0	0	0	108.8	I337 H343 T361 T362 D364	I337-V366 HydrophobicContact CD1-CG1 4.2Å; I337-V366 HydrophobicContact CG1-CG1 4.13Å; I337-V366 HydrophobicContact CG2-CB 4.03Å; I337-V366 HydrophobicContact CG2-CG1 4.06Å; I337-V366 HydrophobicContact CG2-CG2 4.47Å; H343-V366 HydrophobicContact CB-CB 4.45Å; H343-V366 HydrophobicContact CB-CG2 3.61Å; T361-V366 HydrophobicContact CG2-CG2 3.77Å; T362-V366 HydrophobicContact CG2-CG2 3.82Å; D364-V366 PolarHBondContact O-N 3.42Å; D364-V366 VanDerWaalsContact O-N 3.13Å
367	L	97	Very high	95.7	Very high	38 Å²	38	43.9 Å²	43.9	20%	0.199	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-20.8	-171.8	-74	-174.6	0	0	0	114.4	R227 V365 C382 F412	R227-L367 PolarHBondContact NH1-O 3.37Å; V365-L367 HydrophobicContact CG1-CD2 3.81Å; V365-L367 HydrophobicContact CG1-CG 4.32Å; L367-C382 PolarHBondContact N-O 2.86Å; L367-F412 HydrophobicContact CD1-CB 4.34Å; L367-F412 HydrophobicContact CD1-CD1 3.76Å; L367-F412 HydrophobicContact CD1-CG 4.47Å
368	A	97.3	Very high	95.5	Very high	16 Å²	16	44.2 Å²	44.2	13%	0.132	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	149.3	171.4	0	0	0	0	0	111.1	T381 C382	A368-T381 WeakPolarHBondContact O-CA 3.31Å; A368-C382 PolarHBondContact N-O 3.43Å; A368-C382 PolarHBondContact O-N 2.79Å; A368-C382 VanDerWaalsContact O-N 3.12Å
369	V	98.1	Very high	95.5	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.9	159.2	62.4	0	0	0	0	109	S322 A324 S335 I337 L345 I379 V380 T381	S322-V369 PolarHBondContact OG-N 3.02Å; A324-V369 VanDerWaalsContact CB-O 3.23Å; A324-V369 WeakPolarHBondContact CB-O 3.42Å; S335-V369 WeakPolarHBondContact OG-CG2 3.33Å; I337-V369 HydrophobicContact CD1-CB 4.5Å; I337-V369 HydrophobicContact CG1-CB 3.7Å; I337-V369 HydrophobicContact CG1-CG1 3.84Å; I337-V369 HydrophobicContact CG1-CG2 4.37Å; L345-V369 HydrophobicContact CD1-CG2 3.92Å; V369-I379 HydrophobicContact CG2-CG2 3.66Å; V369-V380 CarbonylContact C-O 3.57Å; V369-V380 WeakPolarHBondContact CA-O 3.23Å; V369-T381 HydrophobicContact CB-CG2 4.09Å; V369-T381 HydrophobicContact CG2-CG2 3.82Å
370	E	97.5	Very high	95.5	Very high	48 Å²	48	37.3 Å²	37.3	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	149.9	-177	-101	-64.7	-168.1	0	0	112.1	K327 I379 V380 L416 F418	K327-E370 IonicContact NZ-OE1 2.65Å; K327-E370 PolarHBondContact NZ-OE1 2.88Å; K327-E370 IonicContact NZ-OE2 2.98Å; K327-E370 PolarHBondContact NZ-OE2 3.45Å; E370-I379 CarbonylContact O-C 3.55Å; E370-I379 WeakPolarHBondContact O-CA 3.38Å; E370-V380 PolarHBondContact N-O 2.83Å; E370-V380 PolarHBondContact O-N 2.85Å; E370-L416 HydrophobicContact CB-CD1 3.88Å; E370-L416 HydrophobicContact CG-CD1 4.1Å; E370-F418 HydrophobicContact CB-CE2 3.84Å; E370-F418 HydrophobicContact CB-CZ 4Å; E370-F418 HydrophobicContact CG-CE2 4.17Å
371	F	97.1	Very high	95.5	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	143.5	171.8	-83.9	-94.6	0	0	0	111.1	F325 S326 H333 S335 V347 I379 W392 F418	F325-F371 VanDerWaalsContact C-CD2 3.44Å; F325-F371 WeakPolarHBondContact O-CD2 3.16Å; S326-F371 VanDerWaalsContact CA-CD2 3.48Å; S326-F371 VanDerWaalsContact CA-CG 3.48Å; S326-F371 VanDerWaalsContact N-CD2 3.29Å; H333-F371 HydrophobicContact CB-CZ 4.11Å; S335-F371 VanDerWaalsContact CB-CE2 3.5Å; S335-F371 WeakPolarHBondContact OG-CE2 3.2Å; V347-F371 HydrophobicContact CG1-CZ 4.28Å; F371-I379 HydrophobicContact CD1-CD1 4.26Å; F371-I379 HydrophobicContact CD1-CG1 3.59Å; F371-I379 HydrophobicContact CE1-CD1 3.64Å; F371-I379 HydrophobicContact CE1-CG1 3.49Å; F371-I379 VanDerWaalsContact CE1-CG1 3.49Å; F371-I379 HydrophobicContact CE2-CD1 4.43Å; F371-I379 HydrophobicContact CE2-CG1 4.46Å; F371-I379 HydrophobicContact CG-CG1 4.13Å; F371-I379 HydrophobicContact CZ-CD1 3.75Å; F371-I379 HydrophobicContact CZ-CG1 3.98Å; F371-W392 HydrophobicContact CE1-CE3 4.31Å; F371-W392 HydrophobicContact CE1-CZ3 4.4Å; F371-F418 WeakPolarHBondContact O-CE2 3.31Å; F371-F418 WeakPolarHBondContact O-CZ 3.34Å
372	H	95.4	Very high	95.6	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.023	19%	0.188	C	C	.	.			trans	-65.5	133.5	173	-165.3	-92.2	0	0	0	111.1	T374 D375 T378 F418 G422 F452	H372-T374 VanDerWaalsContact C-N 3.29Å; H372-T374 PolarHBondContact CE1-OG1 3.15Å; H372-T374 PolarHBondContact ND1-N 2.83Å; H372-T374 PolarHBondContact ND1-OG1 2.78Å; H372-T374 PolarHBondContact O-N 3.12Å; H372-D375 HydrophobicContact CB-CB 4.23Å; H372-D375 PolarHBondContact ND1-N 2.72Å; H372-T378 HydrophobicContact CB-CG2 3.95Å; H372-T378 WeakPolarHBondContact CB-O 3.25Å; H372-T378 PolarHBondContact N-O 3.38Å; H372-F418 HydrophobicContact CB-CE1 4.17Å; H372-F418 AromaticContact CD2-CD1 3.7Å; H372-F418 AromaticContact CD2-CE1 3.7Å; H372-G422 PolarHBondContact NE2-O 2.96Å; H372-G422 VanDerWaalsContact NE2-O 3.14Å; H372-F452 AromaticContact NE2-CZ 3.93Å
373	P	93.8	Very high	95.6	Very high	42 Å²	42	30.5 Å²	30.5	27%	0.273	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.9	-171.7	26.5	-36.4	0	0	0	113.5	A328 F418	A328-P373 VanDerWaalsContact CA-O 3.26Å; A328-P373 WeakPolarHBondContact CA-O 3.48Å; A328-P373 WeakPolarHBondContact CB-O 3.43Å; A328-P373 PolarHBondContact N-O 3.18Å; P373-F418 HydrophobicContact CG-CB 3.63Å; P373-F418 HydrophobicContact CG-CD1 4.28Å; P373-F418 HydrophobicContact CG-CG 3.97Å
374	T	91	Very high	95.6	Very high	99 Å²	99	28.6 Å²	28.6	61%	0.607	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.6	5.6	-174.4	56	0	0	0	0	114	H372	H372-T374 VanDerWaalsContact C-N 3.29Å; H372-T374 PolarHBondContact CE1-OG1 3.15Å; H372-T374 PolarHBondContact ND1-N 2.83Å; H372-T374 PolarHBondContact ND1-OG1 2.78Å; H372-T374 PolarHBondContact O-N 3.12Å
375	D	90.4	Very high	95.5	Very high	18 Å²	18	30.6 Å²	30.6	10%	0.096	17%	0.169	C	C	.	.			trans	-136.5	106.5	175.2	179	9.3	0	0	0	110.4	H372 N377 T378 R438	H372-D375 HydrophobicContact CB-CB 4.23Å; H372-D375 PolarHBondContact ND1-N 2.72Å; D375-N377 PolarHBondContact O-N 3.17Å; D375-N377 VanDerWaalsContact O-N 3.13Å; D375-N377 WeakPolarHBondContact OD1-CB 3.06Å; D375-N377 PolarHBondContact OD1-N 3.43Å; D375-N377 PolarHBondContact OD1-ND2 3.35Å; D375-T378 PolarHBondContact O-N 2.78Å; D375-T378 PolarHBondContact OD2-OG1 2.84Å; D375-R438 IonicContact OD2-CZ 3.49Å; D375-R438 IonicContact OD2-NH1 3.34Å; D375-R438 IonicContact OD2-NH2 3.94Å; D375-R438 PolarHBondContact OD2-NH2 3.45Å
376	P	90.3	Very high	95.4	Very high	47 Å²	47	27.5 Å²	27.5	31%	0.305	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.2	-178	28.9	-34.4	0	0	0	112.7	A328	A328-P376 HydrophobicContact CB-CB 4.13Å; A328-P376 HydrophobicContact CB-CG 4.42Å
377	N	91.2	Very high	95.4	Very high	80 Å²	80	26.7 Å²	26.7	43%	0.428	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	0.4	-177.2	-51.6	-74.2	0	0	0	113.3	D375 A391 W392	D375-N377 PolarHBondContact O-N 3.17Å; D375-N377 VanDerWaalsContact O-N 3.13Å; D375-N377 WeakPolarHBondContact OD1-CB 3.06Å; D375-N377 PolarHBondContact OD1-N 3.43Å; D375-N377 PolarHBondContact OD1-ND2 3.35Å; N377-A391 CarbonylContact O-C 3.59Å; N377-A391 WeakPolarHBondContact O-CA 3.39Å; N377-W392 WeakPolarHBondContact CB-O 3.47Å; N377-W392 PolarHBondContact O-N 3.28Å
378	T	94.1	Very high	95.3	Very high	10 Å²	10	25.3 Å²	25.3	6%	0.061	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.7	-179.6	-67.2	0	0	0	0	111.1	H372 D375 V380 F452	H372-T378 HydrophobicContact CB-CG2 3.95Å; H372-T378 WeakPolarHBondContact CB-O 3.25Å; H372-T378 PolarHBondContact N-O 3.38Å; D375-T378 PolarHBondContact O-N 2.78Å; D375-T378 PolarHBondContact OD2-OG1 2.84Å; T378-V380 HydrophobicContact CG2-CG2 4.4Å; T378-F452 HydrophobicContact CG2-CE2 3.91Å; T378-F452 HydrophobicContact CG2-CZ 4.44Å
379	I	96.8	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.5	169.3	-61.7	168.4	0	0	0	108.5	L345 V347 V369 E370 F371 W390 L397	L345-I379 HydrophobicContact CD1-CG2 4.5Å; L345-I379 HydrophobicContact CD2-CG2 4.39Å; V347-I379 HydrophobicContact CG2-CD1 3.52Å; V369-I379 HydrophobicContact CG2-CG2 3.66Å; E370-I379 CarbonylContact O-C 3.55Å; E370-I379 WeakPolarHBondContact O-CA 3.38Å; F371-I379 HydrophobicContact CD1-CD1 4.26Å; F371-I379 HydrophobicContact CD1-CG1 3.59Å; F371-I379 HydrophobicContact CE1-CD1 3.64Å; F371-I379 HydrophobicContact CE1-CG1 3.49Å; F371-I379 VanDerWaalsContact CE1-CG1 3.49Å; F371-I379 HydrophobicContact CE2-CD1 4.43Å; F371-I379 HydrophobicContact CE2-CG1 4.46Å; F371-I379 HydrophobicContact CG-CG1 4.13Å; F371-I379 HydrophobicContact CZ-CD1 3.75Å; F371-I379 HydrophobicContact CZ-CG1 3.98Å; I379-W390 HydrophobicContact CB-CB 4.2Å; I379-W390 PolarHBondContact N-O 2.78Å; I379-W390 PolarHBondContact O-N 2.97Å; I379-L397 HydrophobicContact CD1-CD2 4.19Å
380	V	97.7	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135	179.6	-165.6	0	0	0	0	109.2	V369 E370 T378 I387 F388 F389 L416 F418 I424	V369-V380 CarbonylContact C-O 3.57Å; V369-V380 WeakPolarHBondContact CA-O 3.23Å; E370-V380 PolarHBondContact N-O 2.83Å; E370-V380 PolarHBondContact O-N 2.85Å; T378-V380 HydrophobicContact CG2-CG2 4.4Å; V380-I387 HydrophobicContact CG1-CD1 3.95Å; V380-I387 HydrophobicContact CG1-CG1 4.02Å; V380-F388 WeakPolarHBondContact CA-O 3.48Å; V380-F389 HydrophobicContact CG1-CD1 3.98Å; V380-F389 HydrophobicContact CG1-CE1 3.75Å; V380-F389 HydrophobicContact CG2-CD1 4.07Å; V380-F389 HydrophobicContact CG2-CE1 4.26Å; V380-L416 HydrophobicContact CB-CD2 4.15Å; V380-L416 HydrophobicContact CG1-CD2 3.71Å; V380-F418 HydrophobicContact CG2-CE1 3.95Å; V380-F418 HydrophobicContact CG2-CZ 3.94Å; V380-I424 HydrophobicContact CG2-CD1 4.04Å
381	T	98.2	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.4	169.6	60.6	0	0	0	0	110	I337 L345 T361 A368 V369 I387 F388 W390	I337-T381 HydrophobicContact CD1-CG2 4.04Å; L345-T381 HydrophobicContact CD2-CG2 4.28Å; T361-T381 HydrophobicContact CG2-CG2 4.28Å; A368-T381 WeakPolarHBondContact O-CA 3.31Å; V369-T381 HydrophobicContact CB-CG2 4.09Å; V369-T381 HydrophobicContact CG2-CG2 3.82Å; T381-I387 WeakPolarHBondContact O-CA 3.47Å; T381-F388 PolarHBondContact N-O 2.86Å; T381-F388 PolarHBondContact O-N 3.08Å; T381-W390 PolarHBondContact OG1-NE1 2.95Å
382	C	97.6	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.2	178.1	83.9	0	0	0	0	112.1	L367 A368 H386 I387 I413 L416	L367-C382 PolarHBondContact N-O 2.86Å; A368-C382 PolarHBondContact N-O 3.43Å; A368-C382 PolarHBondContact O-N 2.79Å; A368-C382 VanDerWaalsContact O-N 3.12Å; C382-H386 WeakPolarHBondContact CA-O 3.28Å; C382-I387 HydrophobicContact CB-CB 4.41Å; C382-I387 HydrophobicContact CB-CG1 4.42Å; C382-I413 HydrophobicContact CB-CB 3.89Å; C382-I413 HydrophobicContact CB-CG2 3.6Å; C382-I413 PolarHBondContact SG-O 2.91Å; C382-I413 VanDerWaalsContact SG-O 3.39Å; C382-L416 HydrophobicContact CB-CD2 4.14Å
383	G	97.6	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-148.9	176	0	0	0	0	0	114	V365 F385 H386 F412 I413	V365-G383 WeakPolarHBondContact O-CA 3.4Å; G383-F385 PolarHBondContact O-N 3.5Å; G383-H386 PolarHBondContact N-NE2 3.14Å; G383-H386 PolarHBondContact N-O 3.05Å; G383-H386 PolarHBondContact O-N 2.7Å; G383-F412 WeakPolarHBondContact O-CA 3.32Å; G383-I413 VanDerWaalsContact CA-O 3.32Å; G383-I413 WeakPolarHBondContact CA-O 3Å; G383-I413 PolarHBondContact N-O 3.46Å; G383-I413 PolarHBondContact O-N 2.89Å
384	K	97.1	Very high	94.1	Very high	62 Å²	62	28.1 Å²	28.1	27%	0.27	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-59.2	122.8	177.8	-174.4	-178.3	168.1	-140.5	0	109.8	D364 V365 H386 F412	D364-K384 HydrophobicContact CB-CB 4.2Å; D364-K384 HydrophobicContact CB-CD 4.4Å; D364-K384 HydrophobicContact CB-CG 4.42Å; D364-K384 VanDerWaalsContact OD1-CD 3.28Å; D364-K384 WeakPolarHBondContact OD1-CD 3.28Å; D364-K384 VanDerWaalsContact OD1-CE 3.24Å; D364-K384 WeakPolarHBondContact OD1-CE 3.38Å; D364-K384 IonicContact OD1-NZ 2.8Å; D364-K384 PolarHBondContact OD1-NZ 3.05Å; V365-K384 HydrophobicContact CB-CB 4.17Å; V365-K384 PolarHBondContact O-N 3.07Å; K384-H386 PolarHBondContact O-N 2.86Å; K384-H386 PolarHBondContact O-ND1 3.16Å; K384-F412 VanDerWaalsContact CA-CD1 3.44Å; K384-F412 HydrophobicContact CB-CD1 3.57Å; K384-F412 HydrophobicContact CB-CE1 3.49Å; K384-F412 VanDerWaalsContact CB-CE1 3.49Å; K384-F412 HydrophobicContact CB-CG 4.45Å; K384-F412 HydrophobicContact CB-CZ 4.29Å; K384-F412 HydrophobicContact CD-CE1 4.2Å; K384-F412 HydrophobicContact CD-CZ 4.28Å; K384-F412 HydrophobicContact CG-CD1 4.11Å; K384-F412 HydrophobicContact CG-CE1 3.77Å; K384-F412 HydrophobicContact CG-CZ 4.07Å
385	F	93.7	Very high	94.1	Very high	87 Å²	87	29.7 Å²	29.7	38%	0.382	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	33.7	-177.2	-57.4	-56	0	0	0	115.1	G383 R409 K411	G383-F385 PolarHBondContact O-N 3.5Å; F385-R409 PolarHBondContact O-NH1 2.8Å; F385-R409 PolarHBondContact O-NH2 2.89Å; F385-K411 HydrophobicContact CE1-CB 4.28Å; F385-K411 HydrophobicContact CE1-CG 4.02Å; F385-K411 HydrophobicContact CZ-CG 4.14Å; F385-K411 PolarHBondContact N-O 2.83Å
386	H	94.7	Very high	94.1	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	149.5	172.5	71.8	-83	0	0	0	115.6	C382 G383 K384 F388	C382-H386 WeakPolarHBondContact CA-O 3.28Å; G383-H386 PolarHBondContact N-NE2 3.14Å; G383-H386 PolarHBondContact N-O 3.05Å; G383-H386 PolarHBondContact O-N 2.7Å; K384-H386 PolarHBondContact O-N 2.86Å; K384-H386 PolarHBondContact O-ND1 3.16Å; H386-F388 HydrophobicContact CB-CD1 4.46Å; H386-F388 HydrophobicContact CB-CD2 4.22Å; H386-F388 HydrophobicContact CB-CE1 4Å; H386-F388 HydrophobicContact CB-CE2 3.73Å; H386-F388 HydrophobicContact CB-CZ 3.61Å; H386-F388 AromaticContact CD2-CD2 3.5Å; H386-F388 VanDerWaalsContact CD2-CD2 3.5Å; H386-F388 WeakPolarHBondContact CD2-CD2 3.41Å; H386-F388 AromaticContact CD2-CE2 3.57Å; H386-F388 AromaticContact CG-CE2 3.72Å
387	I	95.8	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.7	145.6	178.8	163.1	0	0	0	107	V380 T381 C382 F389 G402 F404 I413 T426 W436	V380-I387 HydrophobicContact CG1-CD1 3.95Å; V380-I387 HydrophobicContact CG1-CG1 4.02Å; T381-I387 WeakPolarHBondContact O-CA 3.47Å; C382-I387 HydrophobicContact CB-CB 4.41Å; C382-I387 HydrophobicContact CB-CG1 4.42Å; I387-F389 HydrophobicContact CD1-CE1 3.99Å; I387-F389 HydrophobicContact CD1-CE2 4.35Å; I387-F389 HydrophobicContact CD1-CZ 3.57Å; I387-F389 HydrophobicContact CG1-CE1 4.19Å; I387-F389 HydrophobicContact CG1-CE2 4.1Å; I387-F389 HydrophobicContact CG1-CZ 3.75Å; I387-G402 PolarHBondContact O-N 2.9Å; I387-G402 VanDerWaalsContact O-N 3.08Å; I387-F404 HydrophobicContact CG2-CE2 4.24Å; I387-F404 HydrophobicContact CG2-CZ 4.04Å; I387-I413 HydrophobicContact CB-CG1 4.31Å; I387-I413 HydrophobicContact CG2-CG1 4.45Å; I387-T426 HydrophobicContact CD1-CG2 3.69Å; I387-W436 HydrophobicContact CG2-CH2 3.7Å; I387-W436 HydrophobicContact CG2-CZ2 3.77Å; I387-W436 HydrophobicContact CG2-CZ3 4.26Å
388	F	96.1	Very high	94.5	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.5	178.9	-58.1	-49.9	0	0	0	110.3	T361 T362 V380 T381 H386 W390 R399 K400 Q401	T361-F388 HydrophobicContact CG2-CD2 4.02Å; T361-F388 HydrophobicContact CG2-CE2 4.3Å; T361-F388 WeakPolarHBondContact O-CE2 3.44Å; T362-F388 HydrophobicContact CG2-CE2 4.1Å; V380-F388 WeakPolarHBondContact CA-O 3.48Å; T381-F388 PolarHBondContact N-O 2.86Å; T381-F388 PolarHBondContact O-N 3.08Å; H386-F388 HydrophobicContact CB-CD1 4.46Å; H386-F388 HydrophobicContact CB-CD2 4.22Å; H386-F388 HydrophobicContact CB-CE1 4Å; H386-F388 HydrophobicContact CB-CE2 3.73Å; H386-F388 HydrophobicContact CB-CZ 3.61Å; H386-F388 AromaticContact CD2-CD2 3.5Å; H386-F388 VanDerWaalsContact CD2-CD2 3.5Å; H386-F388 WeakPolarHBondContact CD2-CD2 3.41Å; H386-F388 AromaticContact CD2-CE2 3.57Å; H386-F388 AromaticContact CG-CE2 3.72Å; F388-W390 HydrophobicContact CB-CZ2 4.13Å; F388-W390 AromaticContact CD2-CZ2 3.9Å; F388-W390 HydrophobicContact CD2-CZ2 3.9Å; F388-W390 HydrophobicContact CG-CZ2 4.29Å; F388-R399 HydrophobicContact CB-CG 4.01Å; F388-R399 HydrophobicContact CD1-CG 3.99Å; F388-R399 HydrophobicContact CG-CG 3.97Å; F388-K400 WeakPolarHBondContact CA-O 3.31Å; F388-Q401 HydrophobicContact CD1-CB 4.18Å; F388-Q401 HydrophobicContact CD1-CG 4.22Å; F388-Q401 HydrophobicContact CE1-CB 4.34Å; F388-Q401 HydrophobicContact CE1-CG 4.15Å
389	F	95.6	Very high	94.5	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.039	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.3	175.5	-58.2	-73.6	0	0	0	107.4	V380 I387 K400 I424 W436 F452	V380-F389 HydrophobicContact CG1-CD1 3.98Å; V380-F389 HydrophobicContact CG1-CE1 3.75Å; V380-F389 HydrophobicContact CG2-CD1 4.07Å; V380-F389 HydrophobicContact CG2-CE1 4.26Å; I387-F389 HydrophobicContact CD1-CE1 3.99Å; I387-F389 HydrophobicContact CD1-CE2 4.35Å; I387-F389 HydrophobicContact CD1-CZ 3.57Å; I387-F389 HydrophobicContact CG1-CE1 4.19Å; I387-F389 HydrophobicContact CG1-CE2 4.1Å; I387-F389 HydrophobicContact CG1-CZ 3.75Å; F389-K400 PolarHBondContact N-O 3.23Å; F389-K400 PolarHBondContact O-N 3.17Å; F389-I424 HydrophobicContact CD1-CD1 4.2Å; F389-I424 HydrophobicContact CE1-CD1 3.57Å; F389-W436 HydrophobicContact CE2-CE3 4.11Å; F389-W436 HydrophobicContact CZ-CB 4.47Å; F389-W436 HydrophobicContact CZ-CD2 4.18Å; F389-W436 HydrophobicContact CZ-CE3 4.09Å; F389-W436 HydrophobicContact CZ-CG 4.34Å; F389-F452 HydrophobicContact CB-CD2 4.3Å; F389-F452 HydrophobicContact CD1-CB 3.99Å; F389-F452 AromaticContact CD1-CD2 3.71Å; F389-F452 HydrophobicContact CD1-CD2 3.71Å; F389-F452 HydrophobicContact CD1-CE2 4.43Å; F389-F452 AromaticContact CD1-CG 3.97Å; F389-F452 HydrophobicContact CD1-CG 3.97Å; F389-F452 HydrophobicContact CD2-CB 3.79Å; F389-F452 HydrophobicContact CE1-CB 3.83Å; F389-F452 HydrophobicContact CE1-CD2 4.2Å; F389-F452 AromaticContact CE1-CG 3.99Å; F389-F452 HydrophobicContact CE1-CG 3.99Å; F389-F452 HydrophobicContact CE2-CB 3.59Å; F389-F452 HydrophobicContact CG-CB 3.98Å; F389-F452 AromaticContact CG-CD2 3.93Å; F389-F452 HydrophobicContact CG-CD2 3.93Å; F389-F452 HydrophobicContact CG-CG 4.28Å; F389-F452 HydrophobicContact CZ-CB 3.62Å; F389-F452 HydrophobicContact CZ-CG 4.28Å
390	W	95.8	Very high	94.2	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.7	-175.2	-57.6	90.9	0	0	0	109.2	L345 I359 T361 I379 T381 F388 W392 L397 R399	L345-W390 HydrophobicContact CD2-CB 4.44Å; L345-W390 HydrophobicContact CD2-CD2 3.77Å; L345-W390 HydrophobicContact CD2-CE3 4.36Å; L345-W390 HydrophobicContact CD2-CG 3.79Å; I359-W390 HydrophobicContact CB-CZ3 4.38Å; I359-W390 HydrophobicContact CD1-CZ3 3.85Å; I359-W390 HydrophobicContact CG1-CZ3 4.04Å; I359-W390 HydrophobicContact CG2-CE3 3.97Å; I359-W390 HydrophobicContact CG2-CH2 3.92Å; I359-W390 HydrophobicContact CG2-CZ3 3.47Å; I359-W390 VanDerWaalsContact CG2-CZ3 3.47Å; T361-W390 HydrophobicContact CG2-CZ2 3.73Å; I379-W390 HydrophobicContact CB-CB 4.2Å; I379-W390 PolarHBondContact N-O 2.78Å; I379-W390 PolarHBondContact O-N 2.97Å; T381-W390 PolarHBondContact OG1-NE1 2.95Å; F388-W390 HydrophobicContact CB-CZ2 4.13Å; F388-W390 AromaticContact CD2-CZ2 3.9Å; F388-W390 HydrophobicContact CD2-CZ2 3.9Å; F388-W390 HydrophobicContact CG-CZ2 4.29Å; W390-W392 PolarHBondContact O-N 2.78Å; W390-L397 HydrophobicContact CB-CD2 4.23Å; W390-L397 HydrophobicContact CE3-CB 4.07Å; W390-R399 HydrophobicContact CD2-CB 4.39Å; W390-R399 HydrophobicContact CD2-CG 4.28Å; W390-R399 HydrophobicContact CE3-CB 3.72Å; W390-R399 HydrophobicContact CE3-CG 4.05Å; W390-R399 HydrophobicContact CH2-CB 3.93Å; W390-R399 VanDerWaalsContact CH2-CD 3.45Å; W390-R399 HydrophobicContact CH2-CG 3.72Å; W390-R399 HydrophobicContact CZ2-CG 3.89Å; W390-R399 HydrophobicContact CZ3-CB 3.49Å; W390-R399 VanDerWaalsContact CZ3-CB 3.49Å; W390-R399 HydrophobicContact CZ3-CG 3.8Å
391	A	93.5	Very high	93.9	Very high	20 Å²	20	43.2 Å²	43.2	17%	0.165	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.5	171.2	0	0	0	0	0	109.2	N377 L398 P449	N377-A391 CarbonylContact O-C 3.59Å; N377-A391 WeakPolarHBondContact O-CA 3.39Å; A391-L398 HydrophobicContact CB-CB 4.42Å; A391-L398 PolarHBondContact N-O 2.84Å; A391-L398 PolarHBondContact O-N 2.91Å; A391-P449 HydrophobicContact CB-CB 3.42Å; A391-P449 VanDerWaalsContact CB-CB 3.42Å; A391-P449 HydrophobicContact CB-CG 3.24Å
392	W	93.1	Very high	93.5	Very high	21 Å²	21	43.3 Å²	43.3	8%	0.08	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.6	-178.7	-172.7	39.6	0	0	0	110.5	H333 V347 I356 F371 N377 W390 G394 L397	H333-W392 HydrophobicContact CB-CH2 4.22Å; H333-W392 HydrophobicContact CB-CZ3 4.37Å; H333-W392 AromaticContact CD2-CH2 3.48Å; H333-W392 VanDerWaalsContact CD2-CH2 3.48Å; H333-W392 WeakPolarHBondContact CD2-CH2 3.21Å; H333-W392 AromaticContact CD2-CZ3 3.71Å; H333-W392 AromaticContact CG-CH2 3.59Å; H333-W392 AromaticContact ND1-CH2 3.97Å; H333-W392 AromaticContact NE2-CH2 3.78Å; V347-W392 HydrophobicContact CB-CZ2 4.43Å; V347-W392 HydrophobicContact CG1-CD2 4.34Å; V347-W392 HydrophobicContact CG1-CH2 3.87Å; V347-W392 HydrophobicContact CG1-CZ2 3.6Å; V347-W392 HydrophobicContact CG1-CZ3 4.31Å; I356-W392 HydrophobicContact CB-CZ2 4.32Å; I356-W392 HydrophobicContact CD1-CH2 4.03Å; I356-W392 HydrophobicContact CD1-CZ2 3.78Å; I356-W392 HydrophobicContact CG2-CZ2 4.37Å; F371-W392 HydrophobicContact CE1-CE3 4.31Å; F371-W392 HydrophobicContact CE1-CZ3 4.4Å; N377-W392 WeakPolarHBondContact CB-O 3.47Å; N377-W392 PolarHBondContact O-N 3.28Å; W390-W392 PolarHBondContact O-N 2.78Å; W392-G394 VanDerWaalsContact NE1-C 3.3Å; W392-G394 PolarHBondContact NE1-O 3.49Å; W392-L397 HydrophobicContact CB-CD2 3.73Å; W392-L397 HydrophobicContact CG-CD2 3.81Å
393	N	89.9	Confident	93.1	Very high	101 Å²	101	47.3 Å²	47.3	54%	0.54	24%	0.241	S	C	.	.			trans	-128.6	34.3	179.2	61	36.6	0	0	0	112.2	N395 S396	N393-N395 VanDerWaalsContact C-N 3.28Å; N393-N395 PolarHBondContact O-N 2.84Å; N393-N395 VanDerWaalsContact O-N 3.09Å; N393-S396 VanDerWaalsContact CG-OG 3.23Å; N393-S396 PolarHBondContact N-O 3.43Å; N393-S396 VanDerWaalsContact N-O 3.1Å; N393-S396 PolarHBondContact ND2-OG 3Å; N393-S396 WeakPolarHBondContact OD1-CA 3.39Å; N393-S396 PolarHBondContact OD1-N 3.09Å; N393-S396 PolarHBondContact OD1-O 3.18Å; N393-S396 VanDerWaalsContact OD1-O 3.13Å; N393-S396 PolarHBondContact OD1-OG 3.08Å
394	G	86.4	Confident	92.5	Very high	23 Å²	23	48.2 Å²	48.2	24%	0.237	25%	0.245	C	C	.	.	S	Bend	trans	81.5	-66.7	-170.1	0	0	0	0	0	111.8	I356 W392	I356-G394 WeakPolarHBondContact CG2-O 3.48Å; W392-G394 VanDerWaalsContact NE1-C 3.3Å; W392-G394 PolarHBondContact NE1-O 3.49Å
395	N	89.8	Confident	91.8	Very high	131 Å²	131	47.9 Å²	47.9	70%	0.701	26%	0.259	S	S	*	.	S	Bend	trans	-104.3	-10.6	-168.5	-69.1	21	0	0	0	114.9	N393	N393-N395 VanDerWaalsContact C-N 3.28Å; N393-N395 PolarHBondContact O-N 2.84Å; N393-N395 VanDerWaalsContact O-N 3.09Å
396	S	91.9	Very high	91.2	Very high	61 Å²	61	49 Å²	49	43%	0.427	28%	0.278	S	S	.	.			trans	-142.2	159.6	174.4	57.5	0	0	0	0	112.8	N393	N393-S396 VanDerWaalsContact CG-OG 3.23Å; N393-S396 PolarHBondContact N-O 3.43Å; N393-S396 VanDerWaalsContact N-O 3.1Å; N393-S396 PolarHBondContact ND2-OG 3Å; N393-S396 WeakPolarHBondContact OD1-CA 3.39Å; N393-S396 PolarHBondContact OD1-N 3.09Å; N393-S396 PolarHBondContact OD1-O 3.18Å; N393-S396 VanDerWaalsContact OD1-O 3.13Å; N393-S396 PolarHBondContact OD1-OG 3.08Å
397	L	95.1	Very high	90.5	Very high	11 Å²	11	52 Å²	52	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.2	-175.2	-71.1	160.2	0	0	0	108.5	L345 V347 A357 I359 I379 W390 W392	L345-L397 HydrophobicContact CD2-CD1 4.07Å; L345-L397 HydrophobicContact CG-CD1 4.08Å; V347-L397 HydrophobicContact CG2-CD1 4.19Å; V347-L397 HydrophobicContact CG2-CD2 4.34Å; A357-L397 HydrophobicContact CB-CD1 3.9Å; A357-L397 HydrophobicContact CB-CG 4.01Å; I359-L397 HydrophobicContact CB-CB 4.44Å; I359-L397 HydrophobicContact CB-CD1 4.32Å; I359-L397 HydrophobicContact CD1-CB 4.37Å; I359-L397 VanDerWaalsContact CD1-O 3.25Å; I359-L397 WeakPolarHBondContact CD1-O 3.37Å; I359-L397 HydrophobicContact CG2-CB 3.95Å; I359-L397 HydrophobicContact CG2-CD1 3.61Å; I359-L397 HydrophobicContact CG2-CG 4.43Å; I379-L397 HydrophobicContact CD1-CD2 4.19Å; W390-L397 HydrophobicContact CB-CD2 4.23Å; W390-L397 HydrophobicContact CE3-CB 4.07Å; W392-L397 HydrophobicContact CB-CD2 3.73Å; W392-L397 HydrophobicContact CG-CD2 3.81Å
398	L	94.3	Very high	89.9	Confident	97 Å²	97	59.5 Å²	59.5	51%	0.508	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.5	177.9	-178.7	62.5	0	0	0	110.3	A391 P449	A391-L398 HydrophobicContact CB-CB 4.42Å; A391-L398 PolarHBondContact N-O 2.84Å; A391-L398 PolarHBondContact O-N 2.91Å; L398-P449 HydrophobicContact CD2-CG 3.94Å
399	R	93.7	Very high	89.5	Confident	129 Å²	129	63.8 Å²	63.8	49%	0.487	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.1	-179.9	-163.6	178.8	65.4	-173.1	-1.5	112.1	T361 F388 W390	T361-R399 PolarHBondContact O-NH1 3.28Å; F388-R399 HydrophobicContact CB-CG 4.01Å; F388-R399 HydrophobicContact CD1-CG 3.99Å; F388-R399 HydrophobicContact CG-CG 3.97Å; W390-R399 HydrophobicContact CD2-CB 4.39Å; W390-R399 HydrophobicContact CD2-CG 4.28Å; W390-R399 HydrophobicContact CE3-CB 3.72Å; W390-R399 HydrophobicContact CE3-CG 4.05Å; W390-R399 HydrophobicContact CH2-CB 3.93Å; W390-R399 VanDerWaalsContact CH2-CD 3.45Å; W390-R399 HydrophobicContact CH2-CG 3.72Å; W390-R399 HydrophobicContact CZ2-CG 3.89Å; W390-R399 HydrophobicContact CZ3-CB 3.49Å; W390-R399 VanDerWaalsContact CZ3-CB 3.49Å; W390-R399 HydrophobicContact CZ3-CG 3.8Å
400	K	91.3	Very high	89.3	Confident	45 Å²	45	64 Å²	64	20%	0.196	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.9	153.9	-74.8	-163.8	163.8	-174.3	0	109.5	F388 F389 E442 P449 A451	F388-K400 WeakPolarHBondContact CA-O 3.31Å; F389-K400 PolarHBondContact N-O 3.23Å; F389-K400 PolarHBondContact O-N 3.17Å; K400-E442 IonicContact NZ-OE1 3.48Å; K400-E442 PolarHBondContact NZ-OE1 3.38Å; K400-E442 IonicContact NZ-OE2 2.67Å; K400-E442 PolarHBondContact NZ-OE2 3.42Å; K400-P449 VanDerWaalsContact CE-O 3.29Å; K400-P449 WeakPolarHBondContact CE-O 3.41Å; K400-P449 PolarHBondContact NZ-O 3.01Å; K400-A451 HydrophobicContact CD-CB 3.85Å
401	Q	91	Very high	89.3	Confident	96 Å²	96	70.1 Å²	70.1	45%	0.449	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141.7	172.4	-177.7	176	-65.4	0	0	109.7	F388 L403 R409	F388-Q401 HydrophobicContact CD1-CB 4.18Å; F388-Q401 HydrophobicContact CD1-CG 4.22Å; F388-Q401 HydrophobicContact CE1-CB 4.34Å; F388-Q401 HydrophobicContact CE1-CG 4.15Å; Q401-L403 PolarHBondContact O-N 2.56Å; Q401-R409 VanDerWaalsContact CD-NH2 3.28Å
402	G	88.8	Confident	89.4	Confident	2 Å²	2	71.9 Å²	71.9	2%	0.021	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-61.3	133.8	174.2	0	0	0	0	0	112.8	I387	I387-G402 PolarHBondContact O-N 2.9Å; I387-G402 VanDerWaalsContact O-N 3.08Å
403	L	89.1	Confident	89.7	Confident	84 Å²	84	71 Å²	71	44%	0.44	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-94.8	109	178.7	-56.1	-179.2	0	0	0	109.9	Q401 G405 Q453 M454	Q401-L403 PolarHBondContact O-N 2.56Å; L403-G405 PolarHBondContact O-N 3Å; L403-Q453 HydrophobicContact CB-CB 4.44Å; L403-Q453 HydrophobicContact CB-CG 4.2Å; L403-M454 WeakPolarHBondContact O-CB 3.23Å; L403-M454 PolarHBondContact O-N 3.02Å
404	F	86.3	Confident	90	Very high	19 Å²	19	67.5 Å²	67.5	8%	0.083	36%	0.358	C	S	.	.			trans	-78.3	-2.2	177.2	-67.4	-96.7	0	0	0	113.2	I387 S406 H407 R409 P410 I413 L434 W436 M454	I387-F404 HydrophobicContact CG2-CE2 4.24Å; I387-F404 HydrophobicContact CG2-CZ 4.04Å; F404-S406 PolarHBondContact O-N 2.97Å; F404-H407 PolarHBondContact O-CD2 3.3Å; F404-H407 PolarHBondContact O-N 3.13Å; F404-R409 HydrophobicContact CD2-CG 4.26Å; F404-R409 HydrophobicContact CE2-CG 3.91Å; F404-R409 HydrophobicContact CZ-CG 4.04Å; F404-P410 VanDerWaalsContact CE1-CD 3.47Å; F404-P410 HydrophobicContact CE1-CG 4.09Å; F404-I413 HydrophobicContact CE1-CD1 4.21Å; F404-I413 HydrophobicContact CZ-CD1 4.24Å; F404-I413 HydrophobicContact CZ-CG1 4.48Å; F404-L434 HydrophobicContact CD1-CD1 4.38Å; F404-L434 HydrophobicContact CE1-CD1 3.94Å; F404-W436 AromaticContact CD1-CH2 3.76Å; F404-W436 HydrophobicContact CD1-CH2 3.76Å; F404-W436 HydrophobicContact CD1-CZ2 4.2Å; F404-W436 AromaticContact CD2-CH2 3.96Å; F404-W436 HydrophobicContact CD2-CH2 3.96Å; F404-W436 AromaticContact CE1-CH2 3.56Å; F404-W436 HydrophobicContact CE1-CH2 3.56Å; F404-W436 AromaticContact CE1-CZ2 3.7Å; F404-W436 HydrophobicContact CE1-CZ2 3.7Å; F404-W436 AromaticContact CE2-CH2 3.76Å; F404-W436 HydrophobicContact CE2-CH2 3.76Å; F404-W436 AromaticContact CG-CH2 3.96Å; F404-W436 HydrophobicContact CG-CH2 3.96Å; F404-W436 AromaticContact CZ-CH2 3.56Å; F404-W436 HydrophobicContact CZ-CH2 3.56Å; F404-W436 AromaticContact CZ-CZ2 3.89Å; F404-W436 HydrophobicContact CZ-CZ2 3.89Å; F404-M454 HydrophobicContact CD1-SD 4.21Å
405	G	83.1	Confident	90.5	Very high	55 Å²	55	66.9 Å²	66.9	57%	0.567	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-124.2	-175.2	0	0	0	0	0	111.4	L403	L403-G405 PolarHBondContact O-N 3Å
406	S	79.9	Confident	90.9	Very high	112 Å²	112	61.6 Å²	61.6	78%	0.783	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	3.1	177.2	51.2	0	0	0	0	114.5	F404	F404-S406 PolarHBondContact O-N 2.97Å
407	H	80.1	Confident	91.1	Very high	64 Å²	64	59.8 Å²	59.8	30%	0.296	31%	0.308	S	S	.	.	S	Bend	trans	-90.5	146.9	-176.4	-62.2	-106.6	0	0	0	111.6	F404 M454	F404-H407 PolarHBondContact O-CD2 3.3Å; F404-H407 PolarHBondContact O-N 3.13Å; H407-M454 HydrophobicContact CB-CE 3.8Å; H407-M454 WeakPolarHBondContact CD2-CE 3.42Å; H407-M454 VanDerWaalsContact CG-CE 3.45Å
408	D	82.8	Confident	91	Very high	159 Å²	159	59.9 Å²	59.9	85%	0.85	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-61.3	145.3	174.9	-80	-50.1	0	0	0	111.9	P410	D408-P410 WeakPolarHBondContact O-CD 3.47Å
409	R	87.6	Confident	90.8	Very high	98 Å²	98	56.2 Å²	56.2	37%	0.37	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-84.8	119.1	-178.3	-167.7	-173	-152.6	-167.8	6.5	110.1	F385 Q401 F404	F385-R409 PolarHBondContact O-NH1 2.8Å; F385-R409 PolarHBondContact O-NH2 2.89Å; Q401-R409 VanDerWaalsContact CD-NH2 3.28Å; F404-R409 HydrophobicContact CD2-CG 4.26Å; F404-R409 HydrophobicContact CE2-CG 3.91Å; F404-R409 HydrophobicContact CZ-CG 4.04Å
410	P	91.8	Very high	90.4	Very high	15 Å²	15	55.6 Å²	55.6	10%	0.097	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67.7	154.5	179	28.6	-35.3	0	0	0	112.4	F404 D408 F412 I413 D428 L434	F404-P410 VanDerWaalsContact CE1-CD 3.47Å; F404-P410 HydrophobicContact CE1-CG 4.09Å; D408-P410 WeakPolarHBondContact O-CD 3.47Å; P410-F412 VanDerWaalsContact C-N 3.31Å; P410-F412 PolarHBondContact O-N 3.06Å; P410-I413 HydrophobicContact CG-CD1 3.53Å; P410-I413 HydrophobicContact CG-CG1 4.46Å; P410-D428 HydrophobicContact CB-CB 3.9Å; P410-D428 WeakPolarHBondContact CB-OD2 3.45Å; P410-D428 HydrophobicContact CG-CB 3.92Å; P410-L434 HydrophobicContact CG-CD1 4.38Å
411	K	95.4	Very high	90.2	Very high	129 Å²	129	58.7 Å²	58.7	56%	0.561	32%	0.322	S	S	*	.	S	Bend	trans	-63.3	-36.9	-176.5	-169.9	-179.2	-179.5	177.2	0	112.3	F385 S429	F385-K411 HydrophobicContact CE1-CB 4.28Å; F385-K411 HydrophobicContact CE1-CG 4.02Å; F385-K411 HydrophobicContact CZ-CG 4.14Å; F385-K411 PolarHBondContact N-O 2.83Å; K411-S429 PolarHBondContact N-OG 2.98Å; K411-S429 VanDerWaalsContact N-OG 3.12Å
412	F	97.3	Very high	90	Very high	58 Å²	58	54.6 Å²	54.6	25%	0.254	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-137.3	141.2	168.8	-60.7	-104.2	0	0	0	109.8	L367 G383 K384 P410 Q414 D428 S429	L367-F412 HydrophobicContact CD1-CB 4.34Å; L367-F412 HydrophobicContact CD1-CD1 3.76Å; L367-F412 HydrophobicContact CD1-CG 4.47Å; G383-F412 WeakPolarHBondContact O-CA 3.32Å; K384-F412 VanDerWaalsContact CA-CD1 3.44Å; K384-F412 HydrophobicContact CB-CD1 3.57Å; K384-F412 HydrophobicContact CB-CE1 3.49Å; K384-F412 VanDerWaalsContact CB-CE1 3.49Å; K384-F412 HydrophobicContact CB-CG 4.45Å; K384-F412 HydrophobicContact CB-CZ 4.29Å; K384-F412 HydrophobicContact CD-CE1 4.2Å; K384-F412 HydrophobicContact CD-CZ 4.28Å; K384-F412 HydrophobicContact CG-CD1 4.11Å; K384-F412 HydrophobicContact CG-CE1 3.77Å; K384-F412 HydrophobicContact CG-CZ 4.07Å; P410-F412 VanDerWaalsContact C-N 3.31Å; P410-F412 PolarHBondContact O-N 3.06Å; F412-Q414 HydrophobicContact CB-CG 3.93Å; F412-D428 CarbonylContact O-C 3.58Å; F412-D428 WeakPolarHBondContact O-CA 3.45Å; F412-S429 PolarHBondContact N-OG 3.12Å; F412-S429 VanDerWaalsContact N-OG 3.12Å; F412-S429 PolarHBondContact O-N 3.11Å; F412-S429 PolarHBondContact O-OG 2.77Å
413	I	97.4	Very high	90.1	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	111.8	151.6	-57.7	-64.6	0	0	0	105.8	C382 G383 I387 F404 P410 T426 D428 L434	C382-I413 HydrophobicContact CB-CB 3.89Å; C382-I413 HydrophobicContact CB-CG2 3.6Å; C382-I413 PolarHBondContact SG-O 2.91Å; C382-I413 VanDerWaalsContact SG-O 3.39Å; G383-I413 VanDerWaalsContact CA-O 3.32Å; G383-I413 WeakPolarHBondContact CA-O 3Å; G383-I413 PolarHBondContact N-O 3.46Å; G383-I413 PolarHBondContact O-N 2.89Å; I387-I413 HydrophobicContact CB-CG1 4.31Å; I387-I413 HydrophobicContact CG2-CG1 4.45Å; F404-I413 HydrophobicContact CE1-CD1 4.21Å; F404-I413 HydrophobicContact CZ-CD1 4.24Å; F404-I413 HydrophobicContact CZ-CG1 4.48Å; P410-I413 HydrophobicContact CG-CD1 3.53Å; P410-I413 HydrophobicContact CG-CG1 4.46Å; I413-T426 HydrophobicContact CG2-CG2 4.08Å; I413-D428 HydrophobicContact CD1-CB 4.16Å; I413-L434 HydrophobicContact CD1-CD1 4.02Å
414	Q	96.9	Very high	90.3	Very high	27 Å²	27	51.4 Å²	51.4	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-38.5	-166.7	-69.9	-162.9	101.4	0	0	113.1	R227 F412 G427 D428 G467 V468	R227-Q414 VanDerWaalsContact CZ-O 3.25Å; R227-Q414 PolarHBondContact NH1-O 3.18Å; R227-Q414 PolarHBondContact NH2-O 3.34Å; F412-Q414 HydrophobicContact CB-CG 3.93Å; Q414-G427 PolarHBondContact N-O 3.1Å; Q414-D428 PolarHBondContact NE2-O 3.17Å; Q414-G467 VanDerWaalsContact NE2-CA 3.29Å; Q414-G467 PolarHBondContact NE2-O 2.65Å; Q414-G467 VanDerWaalsContact NE2-O 3.15Å; Q414-V468 VanDerWaalsContact CB-O 3.26Å; Q414-V468 WeakPolarHBondContact CB-O 3.5Å; Q414-V468 PolarHBondContact NE2-O 3.29Å; Q414-V468 VanDerWaalsContact NE2-O 3.12Å
415	C	97.2	Very high	90.8	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.6	-178.8	56	0	0	0	0	110.9	T426 G427 V468 M471	C415-T426 CarbonylContact O-C 3.49Å; C415-T426 VanDerWaalsContact O-CA 3.3Å; C415-T426 WeakPolarHBondContact O-CA 3.3Å; C415-G427 PolarHBondContact N-O 3.22Å; C415-G427 PolarHBondContact O-N 2.98Å; C415-V468 PolarHBondContact SG-O 2.9Å; C415-V468 VanDerWaalsContact SG-O 3.34Å; C415-M471 HydrophobicContact CB-CG 4.27Å
416	L	97.1	Very high	91.5	Very high	19 Å²	19	47.9 Å²	47.9	10%	0.099	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.6	177	76.1	89.4	0	0	0	111.6	E370 V380 C382 F418 I424 V425 T426	E370-L416 HydrophobicContact CB-CD1 3.88Å; E370-L416 HydrophobicContact CG-CD1 4.1Å; V380-L416 HydrophobicContact CB-CD2 4.15Å; V380-L416 HydrophobicContact CG1-CD2 3.71Å; C382-L416 HydrophobicContact CB-CD2 4.14Å; L416-F418 HydrophobicContact CD1-CD2 4.32Å; L416-F418 HydrophobicContact CD1-CE2 3.61Å; L416-F418 HydrophobicContact CD1-CZ 3.73Å; L416-I424 HydrophobicContact CB-CG2 4.5Å; L416-I424 HydrophobicContact CD1-CG2 4.31Å; L416-V425 CarbonylContact C-O 3.55Å; L416-V425 VanDerWaalsContact CA-O 3.25Å; L416-V425 WeakPolarHBondContact CA-O 3.42Å; L416-T426 HydrophobicContact CB-CG2 3.82Å
417	T	96.1	Very high	92.3	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.141	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	175.8	165.7	-161.1	0	0	0	0	110.3	I424 V425 M471 D473 L479	T417-I424 WeakPolarHBondContact O-CA 3.48Å; T417-I424 WeakPolarHBondContact O-CG2 3.46Å; T417-V425 HydrophobicContact CG2-CB 4.41Å; T417-V425 PolarHBondContact N-O 2.91Å; T417-V425 PolarHBondContact O-N 2.63Å; T417-M471 HydrophobicContact CG2-CG 4.42Å; T417-M471 HydrophobicContact CG2-SD 3.56Å; T417-M471 VanDerWaalsContact CG2-SD 3.56Å; T417-M471 PolarHBondContact N-SD 3.41Å; T417-M471 VanDerWaalsContact N-SD 3.37Å; T417-D473 HydrophobicContact CG2-CB 4.1Å; T417-D473 WeakPolarHBondContact OG1-CB 3.44Å; T417-L479 HydrophobicContact CG2-CD1 3.69Å
418	F	93.9	Very high	93.1	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.7	179	-52.9	-97.5	0	0	0	109.4	E370 F371 H372 P373 V380 L416 I424	E370-F418 HydrophobicContact CB-CE2 3.84Å; E370-F418 HydrophobicContact CB-CZ 4Å; E370-F418 HydrophobicContact CG-CE2 4.17Å; F371-F418 WeakPolarHBondContact O-CE2 3.31Å; F371-F418 WeakPolarHBondContact O-CZ 3.34Å; H372-F418 HydrophobicContact CB-CE1 4.17Å; H372-F418 AromaticContact CD2-CD1 3.7Å; H372-F418 AromaticContact CD2-CE1 3.7Å; P373-F418 HydrophobicContact CG-CB 3.63Å; P373-F418 HydrophobicContact CG-CD1 4.28Å; P373-F418 HydrophobicContact CG-CG 3.97Å; V380-F418 HydrophobicContact CG2-CE1 3.95Å; V380-F418 HydrophobicContact CG2-CZ 3.94Å; L416-F418 HydrophobicContact CD1-CD2 4.32Å; L416-F418 HydrophobicContact CD1-CE2 3.61Å; L416-F418 HydrophobicContact CD1-CZ 3.73Å; F418-I424 HydrophobicContact CD1-CD1 4.34Å; F418-I424 HydrophobicContact CD1-CG1 3.7Å; F418-I424 HydrophobicContact CE1-CD1 3.98Å; F418-I424 HydrophobicContact CE1-CG1 3.83Å; F418-I424 HydrophobicContact CE1-CG2 4.45Å
419	R	90	Very high	93.7	Very high	21 Å²	21	33.8 Å²	33.8	8%	0.079	18%	0.178	C	C	.	.			trans	-90.5	162.4	175.1	-54.9	-64	-77.1	150.1	-4.2	110	N421 G422 D423 V425 D473 G477 D493 Q494	R419-N421 WeakPolarHBondContact CB-OD1 3.16Å; R419-N421 PolarHBondContact O-N 2.91Å; R419-N421 VanDerWaalsContact O-N 3.11Å; R419-G422 PolarHBondContact O-N 2.87Å; R419-D423 PolarHBondContact N-O 2.9Å; R419-V425 HydrophobicContact CG-CG2 3.71Å; R419-D473 IonicContact CZ-OD1 3.6Å; R419-D473 IonicContact NH1-OD1 2.71Å; R419-D473 PolarHBondContact NH1-OD1 2.72Å; R419-G477 VanDerWaalsContact CZ-O 3.25Å; R419-G477 PolarHBondContact NH1-O 3.15Å; R419-G477 PolarHBondContact NH2-O 3.08Å; R419-D493 PolarHBondContact NH2-O 3.06Å; R419-Q494 PolarHBondContact NH2-O 2.99Å
420	S	86.3	Confident	94.1	Very high	116 Å²	116	31.9 Å²	31.9	81%	0.811	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.4	-179.2	56.2	0	0	0	0	114.6
421	N	85.5	Confident	94.3	Very high	109 Å²	109	31.2 Å²	31.2	58%	0.583	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-7	175	72.3	-19.6	0	0	0	114.4	R419 D423	R419-N421 WeakPolarHBondContact CB-OD1 3.16Å; R419-N421 PolarHBondContact O-N 2.91Å; R419-N421 VanDerWaalsContact O-N 3.11Å; N421-D423 PolarHBondContact ND2-OD2 2.93Å; N421-D423 WeakPolarHBondContact OD1-CB 3.35Å; N421-D423 PolarHBondContact OD1-N 2.86Å
422	G	87	Confident	94.3	Very high	10 Å²	10	27.8 Å²	27.8	10%	0.103	17%	0.165	C	C	.	.	S	Bend	trans	87.7	5	-174.3	0	0	0	0	0	115.6	H372 R419	H372-G422 PolarHBondContact NE2-O 2.96Å; H372-G422 VanDerWaalsContact NE2-O 3.14Å; R419-G422 PolarHBondContact O-N 2.87Å
423	D	90.7	Very high	94.2	Very high	19 Å²	19	25 Å²	25	10%	0.102	15%	0.153	C	C	.	.			trans	-70.2	148.3	164.8	-73.1	-29.5	0	0	0	110	R419 N421 V435 T437	R419-D423 PolarHBondContact N-O 2.9Å; N421-D423 PolarHBondContact ND2-OD2 2.93Å; N421-D423 WeakPolarHBondContact OD1-CB 3.35Å; N421-D423 PolarHBondContact OD1-N 2.86Å; D423-V435 HydrophobicContact CB-CG1 4.12Å; D423-T437 WeakPolarHBondContact OD1-CA 3.44Å; D423-T437 WeakPolarHBondContact OD1-CB 3.34Å; D423-T437 PolarHBondContact OD1-OG1 2.64Å
424	I	94.7	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.6	-179.7	-51.6	170.7	0	0	0	107.7	V380 F389 L416 T417 F418 T426 V435 W436 F452	V380-I424 HydrophobicContact CG2-CD1 4.04Å; F389-I424 HydrophobicContact CD1-CD1 4.2Å; F389-I424 HydrophobicContact CE1-CD1 3.57Å; L416-I424 HydrophobicContact CB-CG2 4.5Å; L416-I424 HydrophobicContact CD1-CG2 4.31Å; T417-I424 WeakPolarHBondContact O-CA 3.48Å; T417-I424 WeakPolarHBondContact O-CG2 3.46Å; F418-I424 HydrophobicContact CD1-CD1 4.34Å; F418-I424 HydrophobicContact CD1-CG1 3.7Å; F418-I424 HydrophobicContact CE1-CD1 3.98Å; F418-I424 HydrophobicContact CE1-CG1 3.83Å; F418-I424 HydrophobicContact CE1-CG2 4.45Å; I424-T426 HydrophobicContact CG2-CG2 4.2Å; I424-V435 CarbonylContact O-C 3.57Å; I424-V435 WeakPolarHBondContact O-CA 3.31Å; I424-W436 HydrophobicContact CB-CB 4.21Å; I424-W436 PolarHBondContact N-O 2.9Å; I424-W436 PolarHBondContact O-N 3.4Å; I424-F452 HydrophobicContact CD1-CD1 3.77Å; I424-F452 HydrophobicContact CD1-CE1 3.64Å; I424-F452 HydrophobicContact CD1-CG 4.27Å; I424-F452 HydrophobicContact CD1-CZ 4.05Å; I424-F452 HydrophobicContact CG1-CD1 4.4Å; I424-F452 HydrophobicContact CG1-CE1 4.13Å
425	V	95.9	Very high	93.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132	173.5	-179.9	0	0	0	0	108.3	L416 T417 R419 L433 L434 V435 M471 L479 L496	L416-V425 CarbonylContact C-O 3.55Å; L416-V425 VanDerWaalsContact CA-O 3.25Å; L416-V425 WeakPolarHBondContact CA-O 3.42Å; T417-V425 HydrophobicContact CG2-CB 4.41Å; T417-V425 PolarHBondContact N-O 2.91Å; T417-V425 PolarHBondContact O-N 2.63Å; R419-V425 HydrophobicContact CG-CG2 3.71Å; V425-L433 HydrophobicContact CG1-CB 4.24Å; V425-L433 HydrophobicContact CG1-CD2 4.42Å; V425-L434 WeakPolarHBondContact CA-O 3.25Å; V425-V435 HydrophobicContact CG2-CG2 4.41Å; V425-M471 HydrophobicContact CG1-CE 4.3Å; V425-L479 HydrophobicContact CG1-CD2 4Å; V425-L496 HydrophobicContact CG2-CD1 4.12Å
426	T	97.1	Very high	93.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.1	179.3	66.5	0	0	0	0	111.5	I387 I413 C415 L416 I424 L433 L434 W436	I387-T426 HydrophobicContact CD1-CG2 3.69Å; I413-T426 HydrophobicContact CG2-CG2 4.08Å; C415-T426 CarbonylContact O-C 3.49Å; C415-T426 VanDerWaalsContact O-CA 3.3Å; C415-T426 WeakPolarHBondContact O-CA 3.3Å; L416-T426 HydrophobicContact CB-CG2 3.82Å; I424-T426 HydrophobicContact CG2-CG2 4.2Å; T426-L433 WeakPolarHBondContact O-CA 3.28Å; T426-L434 PolarHBondContact N-O 2.86Å; T426-L434 PolarHBondContact O-N 2.66Å; T426-L434 PolarHBondContact OG1-O 3.11Å; T426-W436 VanDerWaalsContact CG2-NE1 3.33Å; T426-W436 PolarHBondContact OG1-NE1 3.43Å
427	G	97.1	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.4	172.7	0	0	0	0	0	110.9	Q414 C415	Q414-G427 PolarHBondContact N-O 3.1Å; C415-G427 PolarHBondContact N-O 3.22Å; C415-G427 PolarHBondContact O-N 2.98Å
428	D	96.3	Very high	92.5	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-172.5	-169.7	89.1	-15.9	0	0	0	114.3	P410 F412 I413 Q414 A430 G431 Q432 G467 V468	P410-D428 HydrophobicContact CB-CB 3.9Å; P410-D428 WeakPolarHBondContact CB-OD2 3.45Å; P410-D428 HydrophobicContact CG-CB 3.92Å; F412-D428 CarbonylContact O-C 3.58Å; F412-D428 WeakPolarHBondContact O-CA 3.45Å; I413-D428 HydrophobicContact CD1-CB 4.16Å; Q414-D428 PolarHBondContact NE2-O 3.17Å; D428-A430 WeakPolarHBondContact OD1-CA 3.37Å; D428-A430 PolarHBondContact OD1-N 2.75Å; D428-A430 WeakPolarHBondContact OD2-CB 3.31Å; D428-G431 PolarHBondContact OD1-N 3.25Å; D428-Q432 PolarHBondContact N-O 3.45Å; D428-Q432 PolarHBondContact OD1-N 2.94Å; D428-G467 CarbonylContact O-C 3.53Å; D428-G467 WeakPolarHBondContact O-CA 3.32Å; D428-V468 PolarHBondContact O-N 3.17Å
429	S	96.7	Very high	91.3	Very high	37 Å²	37	29.6 Å²	29.6	26%	0.259	17%	0.173	S	C	.	.	S	Bend	trans	-79.8	-14.3	176.1	54.4	0	0	0	0	115.6	K411 F412 G467	K411-S429 PolarHBondContact N-OG 2.98Å; K411-S429 VanDerWaalsContact N-OG 3.12Å; F412-S429 PolarHBondContact N-OG 3.12Å; F412-S429 VanDerWaalsContact N-OG 3.12Å; F412-S429 PolarHBondContact O-N 3.11Å; F412-S429 PolarHBondContact O-OG 2.77Å; S429-G467 WeakPolarHBondContact O-CA 3.28Å
430	A	95.3	Very high	89.8	Confident	57 Å²	57	34 Å²	34	47%	0.471	21%	0.207	S	C	.	.	S	Bend	trans	-94	-15.7	-178.1	0	0	0	0	0	113	D428 Q432	D428-A430 WeakPolarHBondContact OD1-CA 3.37Å; D428-A430 PolarHBondContact OD1-N 2.75Å; D428-A430 WeakPolarHBondContact OD2-CB 3.31Å; A430-Q432 HydrophobicContact CB-CG 4.49Å
431	G	95.9	Very high	88.3	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.01	20%	0.204	C	C	.	.	S	Bend	trans	104.2	11.8	-177.1	0	0	0	0	0	113.4	D428 A463 H464 K466	D428-G431 PolarHBondContact OD1-N 3.25Å; G431-A463 PolarHBondContact O-N 3.41Å; G431-H464 WeakPolarHBondContact CA-O 3.42Å; G431-H464 PolarHBondContact O-N 2.95Å; G431-H464 VanDerWaalsContact O-N 3.11Å; G431-K466 VanDerWaalsContact CA-O 3.23Å; G431-K466 WeakPolarHBondContact CA-O 3.43Å
432	Q	95.4	Very high	86.6	Confident	57 Å²	57	31.5 Å²	31.5	27%	0.266	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.7	-174.8	-62.5	-179.1	-0	0	0	111.9	D428 A430 L434 P460 I461	D428-Q432 PolarHBondContact N-O 3.45Å; D428-Q432 PolarHBondContact OD1-N 2.94Å; A430-Q432 HydrophobicContact CB-CG 4.49Å; Q432-L434 HydrophobicContact CB-CD2 4.24Å; Q432-P460 HydrophobicContact CB-CB 4.14Å; Q432-P460 HydrophobicContact CG-CB 4.22Å; Q432-I461 CarbonylContact C-O 3.55Å; Q432-I461 VanDerWaalsContact CA-O 3.29Å; Q432-I461 WeakPolarHBondContact CA-O 3.29Å
433	L	95.4	Very high	84.6	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.5	163.3	-54.6	174.4	0	0	0	109.4	V425 T426 I461 A463 V468 M471 L479 T481 W492	V425-L433 HydrophobicContact CG1-CB 4.24Å; V425-L433 HydrophobicContact CG1-CD2 4.42Å; T426-L433 WeakPolarHBondContact O-CA 3.28Å; L433-I461 HydrophobicContact CB-CB 4.25Å; L433-I461 PolarHBondContact N-O 3.05Å; L433-I461 PolarHBondContact O-N 3.2Å; L433-I461 VanDerWaalsContact O-N 3.15Å; L433-A463 HydrophobicContact CD1-CB 3.82Å; L433-A463 HydrophobicContact CD2-CB 4.42Å; L433-A463 HydrophobicContact CG-CB 3.67Å; L433-V468 HydrophobicContact CD2-CG1 4.15Å; L433-V468 HydrophobicContact CD2-CG2 4.22Å; L433-M471 HydrophobicContact CD2-CE 3.95Å; L433-L479 HydrophobicContact CD1-CD2 4.48Å; L433-T481 HydrophobicContact CD1-CG2 4.14Å; L433-T481 HydrophobicContact CD2-CG2 4Å; L433-W492 HydrophobicContact CD1-CD2 4.31Å
434	L	94.3	Very high	82.2	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.8	177.6	-46.3	177.1	0	0	0	108.9	F404 P410 I413 V425 T426 Q432 W436 M454 P460	F404-L434 HydrophobicContact CD1-CD1 4.38Å; F404-L434 HydrophobicContact CE1-CD1 3.94Å; P410-L434 HydrophobicContact CG-CD1 4.38Å; I413-L434 HydrophobicContact CD1-CD1 4.02Å; V425-L434 WeakPolarHBondContact CA-O 3.25Å; T426-L434 PolarHBondContact N-O 2.86Å; T426-L434 PolarHBondContact O-N 2.66Å; T426-L434 PolarHBondContact OG1-O 3.11Å; Q432-L434 HydrophobicContact CB-CD2 4.24Å; L434-W436 HydrophobicContact CD1-CZ2 4.2Å; L434-M454 HydrophobicContact CB-CG 4.22Å; L434-M454 HydrophobicContact CB-SD 3.97Å; L434-M454 HydrophobicContact CD1-SD 4.01Å; L434-M454 HydrophobicContact CD2-SD 3.91Å; L434-M454 HydrophobicContact CG-SD 4.18Å; L434-P460 HydrophobicContact CD2-CB 3.79Å; L434-P460 HydrophobicContact CD2-CG 4.06Å
435	V	93.3	Very high	79.8	Confident	13 Å²	13	44.7 Å²	44.7	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.9	177.1	-171.7	0	0	0	0	109.3	D423 I424 V425 M454 R455 L458 L496	D423-V435 HydrophobicContact CB-CG1 4.12Å; I424-V435 CarbonylContact O-C 3.57Å; I424-V435 WeakPolarHBondContact O-CA 3.31Å; V425-V435 HydrophobicContact CG2-CG2 4.41Å; V435-M454 CarbonylContact O-C 3.59Å; V435-M454 WeakPolarHBondContact O-CA 3.31Å; V435-R455 HydrophobicContact CB-CB 4.29Å; V435-R455 HydrophobicContact CB-CG 3.97Å; V435-R455 HydrophobicContact CG1-CG 3.91Å; V435-R455 PolarHBondContact O-N 3.41Å; V435-L458 HydrophobicContact CB-CD1 4.46Å; V435-L458 HydrophobicContact CG2-CD1 4.24Å; V435-L496 HydrophobicContact CG2-CD1 3.74Å
436	W	92.3	Very high	77.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.8	179.1	-50.8	75.9	0	0	0	109.5	I387 F389 F404 I424 T426 L434 Q453 M454	I387-W436 HydrophobicContact CG2-CH2 3.7Å; I387-W436 HydrophobicContact CG2-CZ2 3.77Å; I387-W436 HydrophobicContact CG2-CZ3 4.26Å; F389-W436 HydrophobicContact CE2-CE3 4.11Å; F389-W436 HydrophobicContact CZ-CB 4.47Å; F389-W436 HydrophobicContact CZ-CD2 4.18Å; F389-W436 HydrophobicContact CZ-CE3 4.09Å; F389-W436 HydrophobicContact CZ-CG 4.34Å; F404-W436 AromaticContact CD1-CH2 3.76Å; F404-W436 HydrophobicContact CD1-CH2 3.76Å; F404-W436 HydrophobicContact CD1-CZ2 4.2Å; F404-W436 AromaticContact CD2-CH2 3.96Å; F404-W436 HydrophobicContact CD2-CH2 3.96Å; F404-W436 AromaticContact CE1-CH2 3.56Å; F404-W436 HydrophobicContact CE1-CH2 3.56Å; F404-W436 AromaticContact CE1-CZ2 3.7Å; F404-W436 HydrophobicContact CE1-CZ2 3.7Å; F404-W436 AromaticContact CE2-CH2 3.76Å; F404-W436 HydrophobicContact CE2-CH2 3.76Å; F404-W436 AromaticContact CG-CH2 3.96Å; F404-W436 HydrophobicContact CG-CH2 3.96Å; F404-W436 AromaticContact CZ-CH2 3.56Å; F404-W436 HydrophobicContact CZ-CH2 3.56Å; F404-W436 AromaticContact CZ-CZ2 3.89Å; F404-W436 HydrophobicContact CZ-CZ2 3.89Å; I424-W436 HydrophobicContact CB-CB 4.21Å; I424-W436 PolarHBondContact N-O 2.9Å; I424-W436 PolarHBondContact O-N 3.4Å; T426-W436 VanDerWaalsContact CG2-NE1 3.33Å; T426-W436 PolarHBondContact OG1-NE1 3.43Å; L434-W436 HydrophobicContact CD1-CZ2 4.2Å; W436-Q453 WeakPolarHBondContact CA-O 3.22Å; W436-M454 HydrophobicContact CD2-CB 4.31Å; W436-M454 HydrophobicContact CE3-CB 3.96Å; W436-M454 HydrophobicContact CH2-CB 4.2Å; W436-M454 HydrophobicContact CZ2-CG 4.48Å; W436-M454 HydrophobicContact CZ3-CB 3.89Å
437	T	88.9	Confident	75.2	Confident	49 Å²	49	58.5 Å²	58.5	30%	0.301	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	165.4	179	-161.3	0	0	0	0	111.5	D423 F452 Q453 R455	D423-T437 WeakPolarHBondContact OD1-CA 3.44Å; D423-T437 WeakPolarHBondContact OD1-CB 3.34Å; D423-T437 PolarHBondContact OD1-OG1 2.64Å; T437-F452 WeakPolarHBondContact O-CA 3.29Å; T437-Q453 PolarHBondContact N-O 3.28Å; T437-Q453 PolarHBondContact O-N 3.13Å; T437-R455 HydrophobicContact CG2-CG 4.26Å
438	R	81.1	Confident	72.9	Confident	86 Å²	86	62.2 Å²	62.2	33%	0.325	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.1	-175.1	-154.3	170.1	-160.4	157.9	12.1	110.2	D375 S440 Q450 F452	D375-R438 IonicContact OD2-CZ 3.49Å; D375-R438 IonicContact OD2-NH1 3.34Å; D375-R438 IonicContact OD2-NH2 3.94Å; D375-R438 PolarHBondContact OD2-NH2 3.45Å; R438-S440 PolarHBondContact O-N 3.39Å; R438-S440 PolarHBondContact O-OG 3.41Å; R438-Q450 HydrophobicContact CG-CB 4.05Å; R438-F452 HydrophobicContact CB-CE1 4.31Å; R438-F452 HydrophobicContact CG-CE1 4.49Å; R438-F452 HydrophobicContact CG-CZ 4.38Å
439	N	68.9	Low	70.7	Confident	36 Å²	36	63.8 Å²	63.8	19%	0.193	42%	0.417	C	S	.	.			trans	-66.5	104.7	-176.8	-175.3	-3	0	0	0	110.9	A441 A451	N439-A441 PolarHBondContact O-N 3.04Å; N439-A441 WeakPolarHBondContact OD1-CB 3.49Å; N439-A441 PolarHBondContact OD1-N 3.35Å; N439-A451 HydrophobicContact CB-CB 4.47Å; N439-A451 WeakPolarHBondContact CB-O 3.25Å; N439-A451 PolarHBondContact N-O 3Å
440	S	57.5	Low	69.1	Low	113 Å²	113	65.4 Å²	65.4	79%	0.79	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.8	-178.4	-63.3	0	0	0	0	113.9	R438	R438-S440 PolarHBondContact O-N 3.39Å; R438-S440 PolarHBondContact O-OG 3.41Å
441	A	55.8	Low	67.6	Low	90 Å²	90	63 Å²	63	74%	0.744	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.1	178.5	0	0	0	0	0	114.1	N439	N439-A441 PolarHBondContact O-N 3.04Å; N439-A441 WeakPolarHBondContact OD1-CB 3.49Å; N439-A441 PolarHBondContact OD1-N 3.35Å
442	E	49.9	Very low	67	Low	82 Å²	82	63 Å²	63	38%	0.383	40%	0.4	S	S	.	.			trans	-97.8	77	178.1	-74.5	-165.4	128.9	0	0	112.7	K400 A451	K400-E442 IonicContact NZ-OE1 3.48Å; K400-E442 PolarHBondContact NZ-OE1 3.38Å; K400-E442 IonicContact NZ-OE2 2.67Å; K400-E442 PolarHBondContact NZ-OE2 3.42Å; E442-A451 WeakPolarHBondContact OE2-CB 3.19Å; E442-A451 PolarHBondContact OE2-N 3.01Å
443	A	44.4	Very low	66.6	Low	70 Å²	70	63.3 Å²	63.3	58%	0.579	40%	0.401	S	S	*	.			trans	-159.2	86.4	163.4	0	0	0	0	0	116.1
444	P	41	Very low	66.2	Low	124 Å²	124	63.5 Å²	63.5	81%	0.805	40%	0.402	S	S	*	.	S	Bend	trans	-70.8	141.4	132.5	-2.3	21.4	0	0	0	108.5	G446	P444-G446 PolarHBondContact O-N 3.2Å
445	A	43.6	Very low	65.7	Low	112 Å²	112	66.5 Å²	66.5	93%	0.926	41%	0.413	S	S	*	.	S	Bend	trans	-64.1	127.9	-171.9	0	0	0	0	0	113.8
446	G	50	Low	64.7	Low	73 Å²	73	69.1 Å²	69.1	75%	0.753	43%	0.429	S	S	*	.	S	Bend	trans	136.1	-31.7	142	0	0	0	0	0	119.6	P444	P444-G446 PolarHBondContact O-N 3.2Å
447	K	46.7	Very low	63.5	Low	217 Å²	217	74.3 Å²	74.3	94%	0.943	46%	0.457	S	S	*	.	S	Bend	trans	-143.3	9.9	-163.3	-71.7	-169.2	174.6	176.9	0	118.8
448	A	47.8	Very low	62.6	Low	78 Å²	78	75 Å²	75	65%	0.645	46%	0.459	S	S	*	.			trans	-125	137.9	174.2	0	0	0	0	0	110.9
449	P	51.8	Low	62.3	Low	37 Å²	37	81.7 Å²	81.7	24%	0.24	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-71	143.2	169.9	-9.4	24.6	0	0	0	110.1	A391 L398 K400 A451	A391-P449 HydrophobicContact CB-CB 3.42Å; A391-P449 VanDerWaalsContact CB-CB 3.42Å; A391-P449 HydrophobicContact CB-CG 3.24Å; L398-P449 HydrophobicContact CD2-CG 3.94Å; K400-P449 VanDerWaalsContact CE-O 3.29Å; K400-P449 WeakPolarHBondContact CE-O 3.41Å; K400-P449 PolarHBondContact NZ-O 3.01Å; P449-A451 PolarHBondContact O-N 2.99Å
450	Q	61.9	Low	62.9	Low	70 Å²	70	81.4 Å²	81.4	33%	0.327	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-66.4	131.9	172.2	-71.9	169	-20.4	0	0	110.2	R438	R438-Q450 HydrophobicContact CG-CB 4.05Å
451	A	64.4	Low	64.4	Low	6 Å²	6	77.8 Å²	77.8	5%	0.05	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-70.6	145.3	171.7	0	0	0	0	0	111.1	K400 N439 E442 P449	K400-A451 HydrophobicContact CD-CB 3.85Å; N439-A451 HydrophobicContact CB-CB 4.47Å; N439-A451 WeakPolarHBondContact CB-O 3.25Å; N439-A451 PolarHBondContact N-O 3Å; E442-A451 WeakPolarHBondContact OE2-CB 3.19Å; E442-A451 PolarHBondContact OE2-N 3.01Å; P449-A451 PolarHBondContact O-N 2.99Å
452	F	83.5	Confident	66.1	Low	3 Å²	3	81.3 Å²	81.3	1%	0.013	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.4	160	-75	-97.8	0	0	0	109.1	H372 T378 F389 I424 T437 R438	H372-F452 AromaticContact NE2-CZ 3.93Å; T378-F452 HydrophobicContact CG2-CE2 3.91Å; T378-F452 HydrophobicContact CG2-CZ 4.44Å; F389-F452 HydrophobicContact CB-CD2 4.3Å; F389-F452 HydrophobicContact CD1-CB 3.99Å; F389-F452 AromaticContact CD1-CD2 3.71Å; F389-F452 HydrophobicContact CD1-CD2 3.71Å; F389-F452 HydrophobicContact CD1-CE2 4.43Å; F389-F452 AromaticContact CD1-CG 3.97Å; F389-F452 HydrophobicContact CD1-CG 3.97Å; F389-F452 HydrophobicContact CD2-CB 3.79Å; F389-F452 HydrophobicContact CE1-CB 3.83Å; F389-F452 HydrophobicContact CE1-CD2 4.2Å; F389-F452 AromaticContact CE1-CG 3.99Å; F389-F452 HydrophobicContact CE1-CG 3.99Å; F389-F452 HydrophobicContact CE2-CB 3.59Å; F389-F452 HydrophobicContact CG-CB 3.98Å; F389-F452 AromaticContact CG-CD2 3.93Å; F389-F452 HydrophobicContact CG-CD2 3.93Å; F389-F452 HydrophobicContact CG-CG 4.28Å; F389-F452 HydrophobicContact CZ-CB 3.62Å; F389-F452 HydrophobicContact CZ-CG 4.28Å; I424-F452 HydrophobicContact CD1-CD1 3.77Å; I424-F452 HydrophobicContact CD1-CE1 3.64Å; I424-F452 HydrophobicContact CD1-CG 4.27Å; I424-F452 HydrophobicContact CD1-CZ 4.05Å; I424-F452 HydrophobicContact CG1-CD1 4.4Å; I424-F452 HydrophobicContact CG1-CE1 4.13Å; T437-F452 WeakPolarHBondContact O-CA 3.29Å; R438-F452 HydrophobicContact CB-CE1 4.31Å; R438-F452 HydrophobicContact CG-CE1 4.49Å; R438-F452 HydrophobicContact CG-CZ 4.38Å
453	Q	86.2	Confident	68.2	Low	62 Å²	62	77.9 Å²	77.9	29%	0.29	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.4	178.1	177.4	171.8	-21	0	0	108.9	L403 W436 T437	L403-Q453 HydrophobicContact CB-CB 4.44Å; L403-Q453 HydrophobicContact CB-CG 4.2Å; W436-Q453 WeakPolarHBondContact CA-O 3.22Å; T437-Q453 PolarHBondContact N-O 3.28Å; T437-Q453 PolarHBondContact O-N 3.13Å
454	M	87.9	Confident	70.7	Confident	6 Å²	6	75.4 Å²	75.4	3%	0.03	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.4	174.3	-159.8	-176.2	80.5	0	0	110.1	L403 F404 H407 L434 V435 W436 T456	L403-M454 WeakPolarHBondContact O-CB 3.23Å; L403-M454 PolarHBondContact O-N 3.02Å; F404-M454 HydrophobicContact CD1-SD 4.21Å; H407-M454 HydrophobicContact CB-CE 3.8Å; H407-M454 WeakPolarHBondContact CD2-CE 3.42Å; H407-M454 VanDerWaalsContact CG-CE 3.45Å; L434-M454 HydrophobicContact CB-CG 4.22Å; L434-M454 HydrophobicContact CB-SD 3.97Å; L434-M454 HydrophobicContact CD1-SD 4.01Å; L434-M454 HydrophobicContact CD2-SD 3.91Å; L434-M454 HydrophobicContact CG-SD 4.18Å; V435-M454 CarbonylContact O-C 3.59Å; V435-M454 WeakPolarHBondContact O-CA 3.31Å; W436-M454 HydrophobicContact CD2-CB 4.31Å; W436-M454 HydrophobicContact CE3-CB 3.96Å; W436-M454 HydrophobicContact CH2-CB 4.2Å; W436-M454 HydrophobicContact CZ2-CG 4.48Å; W436-M454 HydrophobicContact CZ3-CB 3.89Å; M454-T456 PolarHBondContact O-N 3.22Å
455	R	82.9	Confident	73.3	Confident	69 Å²	69	76.1 Å²	76.1	26%	0.26	41%	0.411	S	S	.	.			trans	-61.4	95.7	173.6	-72.8	-78.9	-61.7	-83	-1.4	109.8	V435 T437 D457 L458	V435-R455 HydrophobicContact CB-CB 4.29Å; V435-R455 HydrophobicContact CB-CG 3.97Å; V435-R455 HydrophobicContact CG1-CG 3.91Å; V435-R455 PolarHBondContact O-N 3.41Å; T437-R455 HydrophobicContact CG2-CG 4.26Å; R455-D457 VanDerWaalsContact C-N 3.29Å; R455-D457 WeakPolarHBondContact CA-OD1 3.4Å; R455-D457 WeakPolarHBondContact CB-OD1 3.36Å; R455-D457 WeakPolarHBondContact CD-OD1 3.37Å; R455-D457 IonicContact CZ-OD1 3.13Å; R455-D457 IonicContact CZ-OD2 3.29Å; R455-D457 VanDerWaalsContact CZ-OD2 3.26Å; R455-D457 VanDerWaalsContact NE-CG 3.31Å; R455-D457 IonicContact NE-OD1 3.39Å; R455-D457 PolarHBondContact NE-OD1 2.87Å; R455-D457 IonicContact NE-OD2 2.72Å; R455-D457 PolarHBondContact NE-OD2 3.24Å; R455-D457 IonicContact NH2-OD2 2.74Å; R455-D457 PolarHBondContact NH2-OD2 3.15Å; R455-L458 HydrophobicContact CB-CB 4.24Å; R455-L458 HydrophobicContact CB-CD1 4.08Å; R455-L458 HydrophobicContact CB-CG 4.16Å; R455-L458 HydrophobicContact CG-CD1 4.35Å; R455-L458 PolarHBondContact O-N 3.39Å
456	T	72.5	Confident	75.8	Confident	68 Å²	68	74.9 Å²	74.9	42%	0.417	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.3	177	52.6	0	0	0	0	113.4	M454	M454-T456 PolarHBondContact O-N 3.22Å
457	D	66.9	Low	77.9	Confident	109 Å²	109	72 Å²	72	58%	0.583	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.7	169.1	61.7	-60.5	0	0	0	112.3	R455	R455-D457 VanDerWaalsContact C-N 3.29Å; R455-D457 WeakPolarHBondContact CA-OD1 3.4Å; R455-D457 WeakPolarHBondContact CB-OD1 3.36Å; R455-D457 WeakPolarHBondContact CD-OD1 3.37Å; R455-D457 IonicContact CZ-OD1 3.13Å; R455-D457 IonicContact CZ-OD2 3.29Å; R455-D457 VanDerWaalsContact CZ-OD2 3.26Å; R455-D457 VanDerWaalsContact NE-CG 3.31Å; R455-D457 IonicContact NE-OD1 3.39Å; R455-D457 PolarHBondContact NE-OD1 2.87Å; R455-D457 IonicContact NE-OD2 2.72Å; R455-D457 PolarHBondContact NE-OD2 3.24Å; R455-D457 IonicContact NH2-OD2 2.74Å; R455-D457 PolarHBondContact NH2-OD2 3.15Å
458	L	69.9	Low	80.4	Confident	65 Å²	65	61.6 Å²	61.6	34%	0.34	31%	0.31	S	S	.	.	S	Bend	trans	-94.5	147.7	168.3	-61	-179.9	0	0	0	109.7	V435 R455	V435-L458 HydrophobicContact CB-CD1 4.46Å; V435-L458 HydrophobicContact CG2-CD1 4.24Å; R455-L458 HydrophobicContact CB-CB 4.24Å; R455-L458 HydrophobicContact CB-CD1 4.08Å; R455-L458 HydrophobicContact CB-CG 4.16Å; R455-L458 HydrophobicContact CG-CD1 4.35Å; R455-L458 PolarHBondContact O-N 3.39Å
459	R	75.1	Confident	82.7	Confident	226 Å²	226	59.3 Å²	59.3	85%	0.853	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-74	147.7	158.3	-69.7	-174.5	174.1	-141.2	-1.2	108.7	I461	R459-I461 PolarHBondContact O-N 3.41Å
460	P	80.8	Confident	84.9	Confident	29 Å²	29	58 Å²	58	19%	0.188	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-49.7	134.1	162.1	-26.6	35.8	0	0	0	110	Q432 L434 E462	Q432-P460 HydrophobicContact CB-CB 4.14Å; Q432-P460 HydrophobicContact CG-CB 4.22Å; L434-P460 HydrophobicContact CD2-CB 3.79Å; L434-P460 HydrophobicContact CD2-CG 4.06Å; P460-E462 PolarHBondContact O-N 2.85Å
461	I	89.5	Confident	86.5	Confident	38 Å²	38	55.8 Å²	55.8	20%	0.195	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.6	-178.7	-58	170.7	0	0	0	107.3	Q432 L433 R459 A463 W492 L496	Q432-I461 CarbonylContact C-O 3.55Å; Q432-I461 VanDerWaalsContact CA-O 3.29Å; Q432-I461 WeakPolarHBondContact CA-O 3.29Å; L433-I461 HydrophobicContact CB-CB 4.25Å; L433-I461 PolarHBondContact N-O 3.05Å; L433-I461 PolarHBondContact O-N 3.2Å; L433-I461 VanDerWaalsContact O-N 3.15Å; R459-I461 PolarHBondContact O-N 3.41Å; I461-A463 PolarHBondContact O-N 3.37Å; I461-A463 VanDerWaalsContact O-N 3.12Å; I461-W492 HydrophobicContact CG2-CE3 4.34Å; I461-W492 HydrophobicContact CG2-CH2 3.84Å; I461-W492 HydrophobicContact CG2-CZ3 3.56Å; I461-L496 HydrophobicContact CD1-CB 3.54Å; I461-L496 HydrophobicContact CD1-CD1 3.95Å; I461-L496 HydrophobicContact CD1-CG 4.41Å
462	E	92.4	Very high	88	Confident	163 Å²	163	56.7 Å²	56.7	76%	0.762	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	102.5	172.3	-67.8	176.2	179.8	0	0	108.1	P460	P460-E462 PolarHBondContact O-N 2.85Å
463	A	93.3	Very high	88.5	Confident	11 Å²	11	58.9 Å²	58.9	9%	0.091	29%	0.285	C	S	.	.			trans	-107.4	-27.5	-169.7	0	0	0	0	0	113.2	G431 L433 I461 W492	G431-A463 PolarHBondContact O-N 3.41Å; L433-A463 HydrophobicContact CD1-CB 3.82Å; L433-A463 HydrophobicContact CD2-CB 4.42Å; L433-A463 HydrophobicContact CG-CB 3.67Å; I461-A463 PolarHBondContact O-N 3.37Å; I461-A463 VanDerWaalsContact O-N 3.12Å; A463-W492 HydrophobicContact CB-CH2 3.82Å; A463-W492 HydrophobicContact CB-CZ2 3.34Å
464	H	97	Very high	88.8	Confident	17 Å²	17	57 Å²	57	8%	0.079	28%	0.276	C	S	.	.			trans	-145.8	151.7	-176.5	-70.8	-81.2	0	0	0	108.7	G431 K466 V468 T481 G483 D486 R488	G431-H464 WeakPolarHBondContact CA-O 3.42Å; G431-H464 PolarHBondContact O-N 2.95Å; G431-H464 VanDerWaalsContact O-N 3.11Å; H464-K466 WeakPolarHBondContact CB-O 3.37Å; H464-K466 PolarHBondContact O-N 3.39Å; H464-V468 HydrophobicContact CB-CG2 4.32Å; H464-T481 PolarHBondContact CE1-O 2.79Å; H464-T481 PolarHBondContact NE2-O 2.55Å; H464-T481 PolarHBondContact NE2-OG1 2.77Å; H464-G483 PolarHBondContact CE1-N 2.96Å; H464-G483 WeakPolarHBondContact ND1-CA 3.41Å; H464-G483 PolarHBondContact ND1-N 2.69Å; H464-D486 WeakPolarHBondContact CB-OD2 3.41Å; H464-R488 PolarHBondContact CE1-O 2.5Å; H464-R488 VanDerWaalsContact CE1-O 3.26Å
465	E	95.1	Very high	88.9	Confident	140 Å²	140	65.4 Å²	65.4	65%	0.654	31%	0.308	S	S	*	.	S	Bend	trans	-78	-13.4	176	-57.4	-174.6	-174.8	0	0	113	D486	E465-D486 WeakPolarHBondContact CA-OD2 3.44Å; E465-D486 PolarHBondContact N-OD2 3.05Å
466	K	95.4	Very high	89.2	Confident	85 Å²	85	65.1 Å²	65.1	37%	0.37	32%	0.316	S	S	.	.	S	Bend	trans	-132.8	165.8	179.1	-46.9	-68.5	164.9	-71.2	0	107.6	G431 H464 V468 K485 D486	G431-K466 VanDerWaalsContact CA-O 3.23Å; G431-K466 WeakPolarHBondContact CA-O 3.43Å; H464-K466 WeakPolarHBondContact CB-O 3.37Å; H464-K466 PolarHBondContact O-N 3.39Å; K466-V468 PolarHBondContact O-N 3.26Å; K466-K485 HydrophobicContact CB-CB 3.96Å; K466-K485 HydrophobicContact CG-CB 3.94Å; K466-D486 HydrophobicContact CB-CB 4.35Å; K466-D486 HydrophobicContact CG-CB 3.84Å; K466-D486 PolarHBondContact N-OD2 2.71Å
467	G	95.8	Very high	90	Very high	12 Å²	12	62.4 Å²	62.4	12%	0.124	30%	0.302	C	S	.	.			trans	-55.5	128.9	-173.8	0	0	0	0	0	114.6	Q414 D428 S429 F469 G484	Q414-G467 VanDerWaalsContact NE2-CA 3.29Å; Q414-G467 PolarHBondContact NE2-O 2.65Å; Q414-G467 VanDerWaalsContact NE2-O 3.15Å; D428-G467 CarbonylContact O-C 3.53Å; D428-G467 WeakPolarHBondContact O-CA 3.32Å; S429-G467 WeakPolarHBondContact O-CA 3.28Å; G467-F469 PolarHBondContact O-N 3.31Å; G467-F469 VanDerWaalsContact O-N 3.1Å; G467-G484 PolarHBondContact O-N 3.33Å
468	V	97.8	Very high	91.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	104.7	177.3	-166.1	0	0	0	0	109.9	Q414 C415 D428 L433 H464 K466	Q414-V468 VanDerWaalsContact CB-O 3.26Å; Q414-V468 WeakPolarHBondContact CB-O 3.5Å; Q414-V468 PolarHBondContact NE2-O 3.29Å; Q414-V468 VanDerWaalsContact NE2-O 3.12Å; C415-V468 PolarHBondContact SG-O 2.9Å; C415-V468 VanDerWaalsContact SG-O 3.34Å; D428-V468 PolarHBondContact O-N 3.17Å; L433-V468 HydrophobicContact CD2-CG1 4.15Å; L433-V468 HydrophobicContact CD2-CG2 4.22Å; H464-V468 HydrophobicContact CB-CG2 4.32Å; K466-V468 PolarHBondContact O-N 3.26Å
469	F	96.7	Very high	92.6	Very high	29 Å²	29	55.1 Å²	55.1	13%	0.127	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-30.4	-167.7	-168	-91.1	0	0	0	113.2	R227 G467 G482 R512	R227-F469 HydrophobicContact CB-CE1 3.68Å; R227-F469 HydrophobicContact CB-CZ 4.15Å; R227-F469 PolarHBondContact NH2-O 2.95Å; G467-F469 PolarHBondContact O-N 3.31Å; G467-F469 VanDerWaalsContact O-N 3.1Å; F469-G482 PolarHBondContact N-O 3.08Å; F469-R512 WeakPolarHBondContact CD1-O 3.26Å; F469-R512 HydrophobicContact CE1-CB 4.32Å; F469-R512 VanDerWaalsContact CE1-CD 3.47Å; F469-R512 HydrophobicContact CE1-CG 4.5Å; F469-R512 WeakPolarHBondContact CE1-O 3.46Å
470	C	97.2	Very high	93.7	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	164.7	178.6	61.3	0	0	0	0	111.6	G482	C470-G482 PolarHBondContact N-O 2.92Å; C470-G482 PolarHBondContact O-N 2.83Å
471	M	97	Very high	94.5	Very high	22 Å²	22	43 Å²	43	11%	0.108	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.4	177.5	58.6	174.4	61.7	0	0	111	C415 T417 V425 L433 L479 L480 T481	C415-M471 HydrophobicContact CB-CG 4.27Å; T417-M471 HydrophobicContact CG2-CG 4.42Å; T417-M471 HydrophobicContact CG2-SD 3.56Å; T417-M471 VanDerWaalsContact CG2-SD 3.56Å; T417-M471 PolarHBondContact N-SD 3.41Å; T417-M471 VanDerWaalsContact N-SD 3.37Å; V425-M471 HydrophobicContact CG1-CE 4.3Å; L433-M471 HydrophobicContact CD2-CE 3.95Å; M471-L479 HydrophobicContact CB-CD1 4.2Å; M471-L479 HydrophobicContact SD-CD1 4.47Å; M471-L480 CarbonylContact C-O 3.51Å; M471-L480 WeakPolarHBondContact CA-O 3.38Å; M471-L480 WeakPolarHBondContact CB-O 3.42Å; M471-T481 HydrophobicContact CB-CG2 4.01Å
472	C	95.7	Very high	94.9	Very high	25 Å²	25	41.2 Å²	41.2	17%	0.169	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.4	176	-169.8	0	0	0	0	109.6	L480 L514 E516	C472-L480 HydrophobicContact CB-CB 4.38Å; C472-L480 PolarHBondContact N-O 3Å; C472-L480 PolarHBondContact O-N 2.6Å; C472-L514 HydrophobicContact CB-CB 4.38Å; C472-E516 PolarHBondContact SG-N 3.39Å
473	D	93.3	Very high	95.1	Very high	49 Å²	49	33.4 Å²	33.4	26%	0.262	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.3	171.7	-163	80.1	0	0	0	108.1	T417 R419	T417-D473 HydrophobicContact CG2-CB 4.1Å; T417-D473 WeakPolarHBondContact OG1-CB 3.44Å; R419-D473 IonicContact CZ-OD1 3.6Å; R419-D473 IonicContact NH1-OD1 2.71Å; R419-D473 PolarHBondContact NH1-OD1 2.72Å
474	M	92.3	Very high	95	Very high	22 Å²	22	33.2 Å²	33.2	11%	0.108	17%	0.168	C	C	.	.			trans	-90	155.5	-173.3	-60.4	178.6	78.7	0	0	111.6	S476 G477 S478 L480 L491 E516	M474-S476 PolarHBondContact O-N 3.36Å; M474-G477 PolarHBondContact O-N 2.77Å; M474-S478 WeakPolarHBondContact CB-O 3.2Å; M474-S478 PolarHBondContact N-O 3.37Å; M474-L480 HydrophobicContact CE-CD1 4.2Å; M474-L480 HydrophobicContact CG-CD1 4.03Å; M474-L480 HydrophobicContact CG-CG 4.19Å; M474-L480 HydrophobicContact SD-CD1 3.71Å; M474-L480 HydrophobicContact SD-CD2 4.49Å; M474-L480 HydrophobicContact SD-CG 3.7Å; M474-L491 HydrophobicContact SD-CD1 3.61Å; M474-E516 WeakPolarHBondContact CA-OE2 3.45Å; M474-E516 HydrophobicContact CB-CG 4.45Å; M474-E516 HydrophobicContact CE-CG 4.01Å; M474-E516 HydrophobicContact CG-CG 4.31Å
475	R	89.8	Confident	94.9	Very high	184 Å²	184	40 Å²	40	69%	0.694	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.7	174.7	-69.7	167.5	-65	-147.6	-3.4	114.4	G477 E516 G517	R475-G477 VanDerWaalsContact C-N 3.3Å; R475-E516 WeakPolarHBondContact CG-OE2 3.18Å; R475-E516 VanDerWaalsContact CZ-CD 3.5Å; R475-E516 IonicContact CZ-OE1 3.12Å; R475-E516 IonicContact CZ-OE2 2.77Å; R475-E516 PolarHBondContact N-OE2 3.25Å; R475-E516 IonicContact NE-OE1 2.72Å; R475-E516 PolarHBondContact NE-OE1 2.77Å; R475-E516 IonicContact NE-OE2 3.6Å; R475-E516 PolarHBondContact NE-OE2 3.34Å; R475-E516 IonicContact NH2-OE1 2.69Å; R475-E516 PolarHBondContact NH2-OE1 2.96Å; R475-E516 IonicContact NH2-OE2 3.89Å; R475-G517 PolarHBondContact NH2-O 2.69Å
476	S	89.8	Confident	94.9	Very high	62 Å²	62	34.2 Å²	34.2	43%	0.434	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-14.2	172.1	59.3	0	0	0	0	114.5	M474 S478 Q494	M474-S476 PolarHBondContact O-N 3.36Å; S476-S478 VanDerWaalsContact C-N 3.26Å; S476-S478 VanDerWaalsContact OG-CB 3.24Å; S476-S478 WeakPolarHBondContact OG-CB 3.39Å; S476-S478 PolarHBondContact OG-N 3.37Å; S476-S478 PolarHBondContact OG-OG 2.59Å; S476-Q494 PolarHBondContact O-NE2 3.26Å
477	G	89.8	Confident	95	Very high	12 Å²	12	33 Å²	33	12%	0.124	16%	0.164	C	C	.	.	S	Bend	trans	79.8	2	-164.1	0	0	0	0	0	114	R419 M474 R475	R419-G477 VanDerWaalsContact CZ-O 3.25Å; R419-G477 PolarHBondContact NH1-O 3.15Å; R419-G477 PolarHBondContact NH2-O 3.08Å; M474-G477 PolarHBondContact O-N 2.77Å; R475-G477 VanDerWaalsContact C-N 3.3Å
478	S	94.3	Very high	95.1	Very high	21 Å²	21	37.1 Å²	37.1	15%	0.147	18%	0.176	C	C	.	.			trans	-71.5	159.9	165.8	-47.6	0	0	0	0	110.4	M474 S476 W492	M474-S478 WeakPolarHBondContact CB-O 3.2Å; M474-S478 PolarHBondContact N-O 3.37Å; S476-S478 VanDerWaalsContact C-N 3.26Å; S476-S478 VanDerWaalsContact OG-CB 3.24Å; S476-S478 WeakPolarHBondContact OG-CB 3.39Å; S476-S478 PolarHBondContact OG-N 3.37Å; S476-S478 PolarHBondContact OG-OG 2.59Å; S478-W492 CarbonylContact C-O 3.56Å; S478-W492 VanDerWaalsContact CA-O 3.29Å; S478-W492 WeakPolarHBondContact CA-O 3.34Å; S478-W492 WeakPolarHBondContact CB-O 3.39Å
479	L	96.8	Very high	95.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.4	177.5	173.9	67.4	0	0	0	109.8	T417 V425 L433 M471 T481 W492 L496	T417-L479 HydrophobicContact CG2-CD1 3.69Å; V425-L479 HydrophobicContact CG1-CD2 4Å; L433-L479 HydrophobicContact CD1-CD2 4.48Å; M471-L479 HydrophobicContact CB-CD1 4.2Å; M471-L479 HydrophobicContact SD-CD1 4.47Å; L479-T481 HydrophobicContact CD1-CG2 4.42Å; L479-T481 HydrophobicContact CD2-CG2 3.88Å; L479-T481 HydrophobicContact CG-CG2 3.83Å; L479-W492 HydrophobicContact CB-CB 4.25Å; L479-W492 PolarHBondContact N-O 2.66Å; L479-W492 PolarHBondContact O-N 2.96Å; L479-L496 HydrophobicContact CB-CD2 4.35Å; L479-L496 HydrophobicContact CD2-CD2 3.74Å
480	L	97.3	Very high	95.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.6	167.2	-74.2	166	0	0	0	109.7	M471 C472 M474 I489 L491 L514 F522 F536	M471-L480 CarbonylContact C-O 3.51Å; M471-L480 WeakPolarHBondContact CA-O 3.38Å; M471-L480 WeakPolarHBondContact CB-O 3.42Å; C472-L480 HydrophobicContact CB-CB 4.38Å; C472-L480 PolarHBondContact N-O 3Å; C472-L480 PolarHBondContact O-N 2.6Å; M474-L480 HydrophobicContact CE-CD1 4.2Å; M474-L480 HydrophobicContact CG-CD1 4.03Å; M474-L480 HydrophobicContact CG-CG 4.19Å; M474-L480 HydrophobicContact SD-CD1 3.71Å; M474-L480 HydrophobicContact SD-CD2 4.49Å; M474-L480 HydrophobicContact SD-CG 3.7Å; L480-I489 HydrophobicContact CD2-CG2 4.04Å; L480-L491 HydrophobicContact CD2-CB 4.16Å; L480-L491 HydrophobicContact CD2-CD1 3.81Å; L480-L491 HydrophobicContact CG-CD1 4.07Å; L480-L514 HydrophobicContact CB-CD1 4.4Å; L480-F522 HydrophobicContact CD1-CB 3.79Å; L480-F522 HydrophobicContact CD1-CG 4.32Å; L480-F536 HydrophobicContact CD2-CE2 3.95Å; L480-F536 HydrophobicContact CD2-CZ 3.68Å
481	T	98.3	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.9	172.6	66.5	0	0	0	0	111.6	L433 H464 M471 L479 I489 V490 W492	L433-T481 HydrophobicContact CD1-CG2 4.14Å; L433-T481 HydrophobicContact CD2-CG2 4Å; H464-T481 PolarHBondContact CE1-O 2.79Å; H464-T481 PolarHBondContact NE2-O 2.55Å; H464-T481 PolarHBondContact NE2-OG1 2.77Å; M471-T481 HydrophobicContact CB-CG2 4.01Å; L479-T481 HydrophobicContact CD1-CG2 4.42Å; L479-T481 HydrophobicContact CD2-CG2 3.88Å; L479-T481 HydrophobicContact CG-CG2 3.83Å; T481-I489 WeakPolarHBondContact O-CA 3.39Å; T481-V490 PolarHBondContact N-O 2.86Å; T481-V490 PolarHBondContact O-N 3.05Å; T481-W492 PolarHBondContact OG1-NE1 3.42Å
482	G	97.9	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114	-175	0	0	0	0	0	112.2	F469 C470	F469-G482 PolarHBondContact N-O 3.08Å; C470-G482 PolarHBondContact N-O 2.92Å; C470-G482 PolarHBondContact O-N 2.83Å
483	G	95.9	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.9	175.5	0	0	0	0	0	111.1	H464 D486 R487 R488	H464-G483 PolarHBondContact CE1-N 2.96Å; H464-G483 WeakPolarHBondContact ND1-CA 3.41Å; H464-G483 PolarHBondContact ND1-N 2.69Å; G483-D486 WeakPolarHBondContact CA-OD1 3.47Å; G483-R487 PolarHBondContact O-N 3.36Å; G483-R488 PolarHBondContact N-O 3.13Å
484	G	91.7	Very high	94.9	Very high	6 Å²	6	39.8 Å²	39.8	6%	0.062	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-50.6	-169.3	0	0	0	0	0	113.5	G467 D486 N510 I511	G467-G484 PolarHBondContact O-N 3.33Å; G484-D486 PolarHBondContact N-OD1 2.66Å; G484-N510 WeakPolarHBondContact O-CA 3.22Å; G484-N510 WeakPolarHBondContact O-CB 3.42Å; G484-N510 PolarHBondContact O-OD1 3.39Å; G484-I511 PolarHBondContact O-N 3.05Å
485	K	94.9	Very high	94.8	Very high	161 Å²	161	45.1 Å²	45.1	70%	0.7	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-16.6	-169.1	-76.9	-169.4	171.2	-163.9	0	114.7	K466 N510	K466-K485 HydrophobicContact CB-CB 3.96Å; K466-K485 HydrophobicContact CG-CB 3.94Å; K485-N510 WeakPolarHBondContact CA-OD1 3.3Å
486	D	95.9	Very high	94.9	Very high	17 Å²	17	37 Å²	37	9%	0.091	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8	174	37.7	2.5	0	0	0	112.4	H464 E465 K466 G483 G484 R488	H464-D486 WeakPolarHBondContact CB-OD2 3.41Å; E465-D486 WeakPolarHBondContact CA-OD2 3.44Å; E465-D486 PolarHBondContact N-OD2 3.05Å; K466-D486 HydrophobicContact CB-CB 4.35Å; K466-D486 HydrophobicContact CG-CB 3.84Å; K466-D486 PolarHBondContact N-OD2 2.71Å; G483-D486 WeakPolarHBondContact CA-OD1 3.47Å; G484-D486 PolarHBondContact N-OD1 2.66Å; D486-R488 PolarHBondContact O-N 3.46Å
487	R	97.3	Very high	95	Very high	61 Å²	61	39.7 Å²	39.7	23%	0.23	19%	0.186	C	C	.	.			trans	61.6	9.2	171.4	-50.7	-178.4	-62.3	-111.3	-10	115.4	G483 E503 V504 D506 I511	G483-R487 PolarHBondContact O-N 3.36Å; R487-E503 HydrophobicContact CB-CG 3.96Å; R487-E503 IonicContact CZ-OE1 2.65Å; R487-E503 VanDerWaalsContact CZ-OE1 3.26Å; R487-E503 IonicContact NE-OE1 3.38Å; R487-E503 PolarHBondContact NE-OE1 2.86Å; R487-E503 IonicContact NH2-OE1 2.73Å; R487-E503 PolarHBondContact NH2-OE1 3.08Å; R487-V504 HydrophobicContact CB-CB 4.27Å; R487-V504 WeakPolarHBondContact CB-O 3.31Å; R487-V504 VanDerWaalsContact CD-O 3.31Å; R487-V504 WeakPolarHBondContact CD-O 3.45Å; R487-V504 PolarHBondContact NE-O 3.29Å; R487-V504 PolarHBondContact O-N 3.02Å; R487-D506 IonicContact CZ-OD1 2.73Å; R487-D506 IonicContact NH1-OD1 3.17Å; R487-D506 PolarHBondContact NH1-OD1 2.72Å; R487-I511 VanDerWaalsContact C-CD1 3.5Å; R487-I511 WeakPolarHBondContact O-CD1 3.38Å
488	R	97.8	Very high	95.3	Very high	97 Å²	97	44 Å²	44	37%	0.366	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	142.2	178.1	-63.3	-179.2	88.9	151.3	1.7	111.9	H464 G483 D486 D501 I502 E503 I511	H464-R488 PolarHBondContact CE1-O 2.5Å; H464-R488 VanDerWaalsContact CE1-O 3.26Å; G483-R488 PolarHBondContact N-O 3.13Å; D486-R488 PolarHBondContact O-N 3.46Å; R488-D501 IonicContact CZ-OD1 3.57Å; R488-D501 IonicContact CZ-OD2 2.68Å; R488-D501 IonicContact NE-OD2 3.98Å; R488-D501 PolarHBondContact NE-OD2 2.92Å; R488-D501 IonicContact NH2-OD1 3.34Å; R488-D501 PolarHBondContact NH2-OD1 2.94Å; R488-D501 IonicContact NH2-OD2 3.17Å; R488-D501 PolarHBondContact NH2-OD2 3.07Å; R488-I502 CarbonylContact C-O 3.56Å; R488-I502 WeakPolarHBondContact CA-O 3.32Å; R488-E503 HydrophobicContact CG-CB 4.26Å; R488-E503 HydrophobicContact CG-CG 4.06Å; R488-I511 WeakPolarHBondContact O-CD1 3.47Å
489	I	98.3	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.4	167.7	-60.5	171.6	0	0	0	105.7	L480 T481 D501 I502 V504 I511 L514 F522 V524 F536 F540	L480-I489 HydrophobicContact CD2-CG2 4.04Å; T481-I489 WeakPolarHBondContact O-CA 3.39Å; I489-D501 CarbonylContact O-C 3.54Å; I489-D501 VanDerWaalsContact O-CA 3.23Å; I489-D501 WeakPolarHBondContact O-CA 3.37Å; I489-I502 HydrophobicContact CB-CG2 4.11Å; I489-I502 PolarHBondContact N-O 2.93Å; I489-I502 PolarHBondContact O-N 2.89Å; I489-V504 HydrophobicContact CD1-CG2 3.85Å; I489-V504 HydrophobicContact CG1-CG2 4.33Å; I489-I511 HydrophobicContact CD1-CD1 4.24Å; I489-I511 HydrophobicContact CG1-CD1 3.52Å; I489-L514 HydrophobicContact CD1-CD2 3.86Å; I489-L514 HydrophobicContact CG1-CD2 4.19Å; I489-L514 HydrophobicContact CG2-CD1 4.31Å; I489-L514 HydrophobicContact CG2-CD2 4.43Å; I489-F522 HydrophobicContact CD1-CD2 4.18Å; I489-F522 HydrophobicContact CD1-CE2 3.59Å; I489-F522 HydrophobicContact CD1-CZ 4.44Å; I489-F522 HydrophobicContact CG2-CE2 4.33Å; I489-V524 HydrophobicContact CD1-CB 4.47Å; I489-V524 HydrophobicContact CD1-CG1 4.13Å; I489-V524 HydrophobicContact CD1-CG2 3.47Å; I489-V524 VanDerWaalsContact CD1-CG2 3.47Å; I489-F536 HydrophobicContact CG2-CE1 4.46Å; I489-F536 HydrophobicContact CG2-CZ 4.2Å; I489-F540 HydrophobicContact CD1-CE1 3.95Å; I489-F540 HydrophobicContact CD1-CZ 4.17Å
490	V	98.2	Very high	95.3	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.5	-179.8	-172.7	0	0	0	0	109	T481 W492 L498 D501	T481-V490 PolarHBondContact N-O 2.86Å; T481-V490 PolarHBondContact O-N 3.05Å; V490-W492 HydrophobicContact CB-CZ2 4.03Å; V490-W492 HydrophobicContact CG1-CD2 4.19Å; V490-W492 HydrophobicContact CG1-CH2 4.37Å; V490-W492 HydrophobicContact CG1-CZ2 3.49Å; V490-W492 VanDerWaalsContact CG1-CZ2 3.49Å; V490-W492 VanDerWaalsContact CG1-NE1 3.31Å; V490-W492 HydrophobicContact CG2-CZ2 4.49Å; V490-W492 VanDerWaalsContact O-CD1 3.24Å; V490-W492 PolarHBondContact O-NE1 3.1Å; V490-L498 HydrophobicContact CG1-CD1 3.7Å; V490-L498 HydrophobicContact CG1-CG 3.77Å; V490-D501 HydrophobicContact CB-CB 4.32Å; V490-D501 HydrophobicContact CG1-CB 4.25Å; V490-D501 HydrophobicContact CG2-CB 3.92Å
491	L	97.6	Very high	95.3	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.6	168.8	-176.7	64.8	0	0	0	109.4	M474 L480 D499 H500 F536	M474-L491 HydrophobicContact SD-CD1 3.61Å; L480-L491 HydrophobicContact CD2-CB 4.16Å; L480-L491 HydrophobicContact CD2-CD1 3.81Å; L480-L491 HydrophobicContact CG-CD1 4.07Å; L491-D499 HydrophobicContact CB-CB 4.5Å; L491-D499 HydrophobicContact CD2-CB 4.38Å; L491-D499 WeakPolarHBondContact CD2-OD2 3.26Å; L491-D499 HydrophobicContact CG-CB 4.24Å; L491-D499 PolarHBondContact O-N 3.26Å; L491-H500 HydrophobicContact CB-CB 4.29Å; L491-H500 PolarHBondContact N-O 3.09Å; L491-F536 HydrophobicContact CB-CE1 4.36Å; L491-F536 HydrophobicContact CB-CE2 3.86Å; L491-F536 HydrophobicContact CB-CZ 3.64Å; L491-F536 HydrophobicContact CD2-CD2 4.47Å; L491-F536 HydrophobicContact CD2-CE2 4.05Å; L491-F536 HydrophobicContact CG-CE2 4.44Å
492	W	96.3	Very high	95.3	Very high	11 Å²	11	55.3 Å²	55.3	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.5	179.4	-54.7	77.5	0	0	0	109.8	L433 I461 A463 S478 L479 T481 V490 L496 Q497 L498	L433-W492 HydrophobicContact CD1-CD2 4.31Å; I461-W492 HydrophobicContact CG2-CE3 4.34Å; I461-W492 HydrophobicContact CG2-CH2 3.84Å; I461-W492 HydrophobicContact CG2-CZ3 3.56Å; A463-W492 HydrophobicContact CB-CH2 3.82Å; A463-W492 HydrophobicContact CB-CZ2 3.34Å; S478-W492 CarbonylContact C-O 3.56Å; S478-W492 VanDerWaalsContact CA-O 3.29Å; S478-W492 WeakPolarHBondContact CA-O 3.34Å; S478-W492 WeakPolarHBondContact CB-O 3.39Å; L479-W492 HydrophobicContact CB-CB 4.25Å; L479-W492 PolarHBondContact N-O 2.66Å; L479-W492 PolarHBondContact O-N 2.96Å; T481-W492 PolarHBondContact OG1-NE1 3.42Å; V490-W492 HydrophobicContact CB-CZ2 4.03Å; V490-W492 HydrophobicContact CG1-CD2 4.19Å; V490-W492 HydrophobicContact CG1-CH2 4.37Å; V490-W492 HydrophobicContact CG1-CZ2 3.49Å; V490-W492 VanDerWaalsContact CG1-CZ2 3.49Å; V490-W492 VanDerWaalsContact CG1-NE1 3.31Å; V490-W492 HydrophobicContact CG2-CZ2 4.49Å; V490-W492 VanDerWaalsContact O-CD1 3.24Å; V490-W492 PolarHBondContact O-NE1 3.1Å; W492-L496 HydrophobicContact CB-CD2 4.31Å; W492-Q497 CarbonylContact C-O 3.52Å; W492-Q497 VanDerWaalsContact CA-O 3.22Å; W492-Q497 WeakPolarHBondContact CA-O 3.33Å; W492-L498 HydrophobicContact CE3-CB 4.37Å; W492-L498 HydrophobicContact CH2-CB 4.35Å; W492-L498 HydrophobicContact CZ3-CB 4.06Å
493	D	93.8	Very high	95.3	Very high	45 Å²	45	59.5 Å²	59.5	24%	0.241	28%	0.281	C	S	.	.			trans	-71	-173.5	179	78.4	-2.9	0	0	0	112.7	R419 Q495 L496 Q497	R419-D493 PolarHBondContact NH2-O 3.06Å; D493-Q495 PolarHBondContact O-N 3.26Å; D493-Q495 VanDerWaalsContact OD1-CA 3.22Å; D493-Q495 WeakPolarHBondContact OD1-CA 3.45Å; D493-Q495 WeakPolarHBondContact OD1-CB 3.36Å; D493-Q495 PolarHBondContact OD1-N 2.78Å; D493-L496 PolarHBondContact O-N 3.48Å; D493-L496 PolarHBondContact OD1-N 2.96Å; D493-Q497 PolarHBondContact N-O 3.06Å; D493-Q497 PolarHBondContact OD1-N 2.84Å
494	Q	90.2	Very high	95.4	Very high	117 Å²	117	59.5 Å²	59.5	55%	0.547	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.1	178.8	-70	-171.5	1.8	0	0	113	R419 S476	R419-Q494 PolarHBondContact NH2-O 2.99Å; S476-Q494 PolarHBondContact O-NE2 3.26Å
495	Q	89.3	Confident	95.7	Very high	133 Å²	133	61.5 Å²	61.5	62%	0.621	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	7.2	-177.4	-67.9	68.3	30.4	0	0	112.9	D493 Q497	D493-Q495 PolarHBondContact O-N 3.26Å; D493-Q495 VanDerWaalsContact OD1-CA 3.22Å; D493-Q495 WeakPolarHBondContact OD1-CA 3.45Å; D493-Q495 WeakPolarHBondContact OD1-CB 3.36Å; D493-Q495 PolarHBondContact OD1-N 2.78Å; Q495-Q497 VanDerWaalsContact C-N 3.29Å; Q495-Q497 HydrophobicContact CB-CG 4.39Å; Q495-Q497 PolarHBondContact O-N 3.3Å; Q495-Q497 PolarHBondContact O-NE2 3.15Å
496	L	91.5	Very high	95.8	Very high	15 Å²	15	57.5 Å²	57.5	8%	0.079	28%	0.279	C	S	.	.	S	Bend	trans	56.6	37.3	-175.2	-53.3	177.5	0	0	0	113.7	V425 V435 I461 L479 W492 D493	V425-L496 HydrophobicContact CG2-CD1 4.12Å; V435-L496 HydrophobicContact CG2-CD1 3.74Å; I461-L496 HydrophobicContact CD1-CB 3.54Å; I461-L496 HydrophobicContact CD1-CD1 3.95Å; I461-L496 HydrophobicContact CD1-CG 4.41Å; L479-L496 HydrophobicContact CB-CD2 4.35Å; L479-L496 HydrophobicContact CD2-CD2 3.74Å; W492-L496 HydrophobicContact CB-CD2 4.31Å; D493-L496 PolarHBondContact O-N 3.48Å; D493-L496 PolarHBondContact OD1-N 2.96Å
497	Q	92.9	Very high	95.7	Very high	118 Å²	118	62.1 Å²	62.1	55%	0.551	30%	0.3	S	S	*	.			trans	-87.7	150.8	160.9	-50.7	-51.1	-78	0	0	109.6	W492 D493 Q495	W492-Q497 CarbonylContact C-O 3.52Å; W492-Q497 VanDerWaalsContact CA-O 3.22Å; W492-Q497 WeakPolarHBondContact CA-O 3.33Å; D493-Q497 PolarHBondContact N-O 3.06Å; D493-Q497 PolarHBondContact OD1-N 2.84Å; Q495-Q497 VanDerWaalsContact C-N 3.29Å; Q495-Q497 HydrophobicContact CB-CG 4.39Å; Q495-Q497 PolarHBondContact O-N 3.3Å; Q495-Q497 PolarHBondContact O-NE2 3.15Å
498	L	94.9	Very high	95.7	Very high	101 Å²	101	60.8 Å²	60.8	53%	0.529	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.9	175.1	-177.9	153.5	0	0	0	109.6	V490 W492	V490-L498 HydrophobicContact CG1-CD1 3.7Å; V490-L498 HydrophobicContact CG1-CG 3.77Å; W492-L498 HydrophobicContact CE3-CB 4.37Å; W492-L498 HydrophobicContact CH2-CB 4.35Å; W492-L498 HydrophobicContact CZ3-CB 4.06Å
499	D	95.3	Very high	95.6	Very high	79 Å²	79	56.2 Å²	56.2	42%	0.422	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-60.5	179.9	-171.6	21.4	0	0	0	109.9	L491	L491-D499 HydrophobicContact CB-CB 4.5Å; L491-D499 HydrophobicContact CD2-CB 4.38Å; L491-D499 WeakPolarHBondContact CD2-OD2 3.26Å; L491-D499 HydrophobicContact CG-CB 4.24Å; L491-D499 PolarHBondContact O-N 3.26Å
500	H	96.1	Very high	95.5	Very high	93 Å²	93	58.8 Å²	58.8	43%	0.431	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.2	178	-65	-24.4	0	0	0	111.4	L491 F536	L491-H500 HydrophobicContact CB-CB 4.29Å; L491-H500 PolarHBondContact N-O 3.09Å; H500-F536 HydrophobicContact CB-CB 4.24Å; H500-F536 HydrophobicContact CB-CD1 3.69Å; H500-F536 HydrophobicContact CB-CD2 4.26Å; H500-F536 HydrophobicContact CB-CE1 4.09Å; H500-F536 HydrophobicContact CB-CG 3.79Å
501	D	97.2	Very high	95.5	Very high	58 Å²	58	58.6 Å²	58.6	31%	0.31	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.2	169.1	100.9	-97	0	0	0	112.9	R488 I489 V490	R488-D501 IonicContact CZ-OD1 3.57Å; R488-D501 IonicContact CZ-OD2 2.68Å; R488-D501 IonicContact NE-OD2 3.98Å; R488-D501 PolarHBondContact NE-OD2 2.92Å; R488-D501 IonicContact NH2-OD1 3.34Å; R488-D501 PolarHBondContact NH2-OD1 2.94Å; R488-D501 IonicContact NH2-OD2 3.17Å; R488-D501 PolarHBondContact NH2-OD2 3.07Å; I489-D501 CarbonylContact O-C 3.54Å; I489-D501 VanDerWaalsContact O-CA 3.23Å; I489-D501 WeakPolarHBondContact O-CA 3.37Å; V490-D501 HydrophobicContact CB-CB 4.32Å; V490-D501 HydrophobicContact CG1-CB 4.25Å; V490-D501 HydrophobicContact CG2-CB 3.92Å
502	I	98.2	Very high	95.5	Very high	29 Å²	29	60.5 Å²	60.5	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.4	177	-169.8	169.6	0	0	0	111.1	R488 I489 F522 F536 F540	R488-I502 CarbonylContact C-O 3.56Å; R488-I502 WeakPolarHBondContact CA-O 3.32Å; I489-I502 HydrophobicContact CB-CG2 4.11Å; I489-I502 PolarHBondContact N-O 2.93Å; I489-I502 PolarHBondContact O-N 2.89Å; I502-F522 HydrophobicContact CG2-CZ 4.03Å; I502-F536 HydrophobicContact CB-CD1 4.02Å; I502-F536 HydrophobicContact CB-CE1 4.36Å; I502-F536 HydrophobicContact CG2-CD1 3.71Å; I502-F536 HydrophobicContact CG2-CE1 3.7Å; I502-F540 HydrophobicContact CD1-CD2 4.49Å; I502-F540 HydrophobicContact CD1-CE2 3.78Å; I502-F540 HydrophobicContact CD1-CZ 4.1Å; I502-F540 HydrophobicContact CG1-CE2 3.87Å; I502-F540 HydrophobicContact CG1-CZ 4.1Å; I502-F540 HydrophobicContact CG2-CZ 3.95Å
503	E	98.1	Very high	95.5	Very high	89 Å²	89	60 Å²	60	42%	0.416	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.9	178	-160.2	-164.6	135.1	0	0	112.4	R487 R488 P505 F540	R487-E503 HydrophobicContact CB-CG 3.96Å; R487-E503 IonicContact CZ-OE1 2.65Å; R487-E503 VanDerWaalsContact CZ-OE1 3.26Å; R487-E503 IonicContact NE-OE1 3.38Å; R487-E503 PolarHBondContact NE-OE1 2.86Å; R487-E503 IonicContact NH2-OE1 2.73Å; R487-E503 PolarHBondContact NH2-OE1 3.08Å; R488-E503 HydrophobicContact CG-CB 4.26Å; R488-E503 HydrophobicContact CG-CG 4.06Å; E503-P505 WeakPolarHBondContact O-CD 3.29Å; E503-F540 WeakPolarHBondContact O-CE2 3.23Å
504	V	98.2	Very high	95.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-72.3	124.2	172.2	177.7	0	0	0	0	109.9	R487 I489 Y508 I511 V524 L532 F540	R487-V504 HydrophobicContact CB-CB 4.27Å; R487-V504 WeakPolarHBondContact CB-O 3.31Å; R487-V504 VanDerWaalsContact CD-O 3.31Å; R487-V504 WeakPolarHBondContact CD-O 3.45Å; R487-V504 PolarHBondContact NE-O 3.29Å; R487-V504 PolarHBondContact O-N 3.02Å; I489-V504 HydrophobicContact CD1-CG2 3.85Å; I489-V504 HydrophobicContact CG1-CG2 4.33Å; V504-Y508 HydrophobicContact CG1-CD2 4.06Å; V504-I511 HydrophobicContact CG2-CD1 3.96Å; V504-I511 HydrophobicContact CG2-CG1 4.03Å; V504-V524 HydrophobicContact CG2-CG1 4.34Å; V504-L532 HydrophobicContact CG1-CD1 3.8Å; V504-F540 HydrophobicContact CB-CZ 4.32Å; V504-F540 HydrophobicContact CG2-CE1 3.77Å; V504-F540 HydrophobicContact CG2-CE2 4.24Å; V504-F540 HydrophobicContact CG2-CZ 3.55Å
505	P	97.8	Very high	96.1	Very high	47 Å²	47	53.1 Å²	53.1	31%	0.305	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-57.3	140	179.4	-28.7	35.9	0	0	0	114.1	E503 Q507 Y508	E503-P505 WeakPolarHBondContact O-CD 3.29Å; P505-Q507 HydrophobicContact CB-CG 4.1Å; P505-Q507 PolarHBondContact O-N 2.86Å; P505-Y508 HydrophobicContact CB-CD2 4.01Å; P505-Y508 HydrophobicContact CB-CE2 4Å; P505-Y508 HydrophobicContact CG-CD2 4.28Å; P505-Y508 HydrophobicContact CG-CE2 4.03Å; P505-Y508 WeakPolarHBondContact O-CD2 3.05Å; P505-Y508 PolarHBondContact O-N 3.01Å
506	D	96.2	Very high	96.4	Very high	77 Å²	77	48.3 Å²	48.3	41%	0.412	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-53.6	-33.4	-173.1	-175	73.7	0	0	0	114.1	R487 Y508 G509 R528	R487-D506 IonicContact CZ-OD1 2.73Å; R487-D506 IonicContact NH1-OD1 3.17Å; R487-D506 PolarHBondContact NH1-OD1 2.72Å; D506-Y508 PolarHBondContact O-N 3.11Å; D506-G509 WeakPolarHBondContact O-CA 3.29Å; D506-G509 PolarHBondContact O-N 3.5Å; D506-R528 PolarHBondContact O-NH1 3.14Å; D506-R528 PolarHBondContact O-NH2 2.74Å; D506-R528 IonicContact OD1-NH2 3.75Å; D506-R528 IonicContact OD2-CZ 3.91Å; D506-R528 IonicContact OD2-NH1 2.78Å; D506-R528 IonicContact OD2-NH2 2.85Å; D506-R528 PolarHBondContact OD2-NH2 3.27Å
507	Q	94.9	Very high	96.6	Very high	114 Å²	114	47.6 Å²	47.6	53%	0.533	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-49.4	-31.3	177.7	66.1	-148.6	29.4	0	0	113.5	P505 R528	P505-Q507 HydrophobicContact CB-CG 4.1Å; P505-Q507 PolarHBondContact O-N 2.86Å; Q507-R528 VanDerWaalsContact CA-NH1 3.32Å; Q507-R528 VanDerWaalsContact O-CD 3.27Å; Q507-R528 WeakPolarHBondContact O-CD 3.36Å; Q507-R528 PolarHBondContact O-NH1 3.47Å
508	Y	96.4	Very high	96.6	Very high	33 Å²	33	46.8 Å²	46.8	13%	0.129	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-90.6	-15.6	176.4	-47.6	-59.3	0	0	0	114	V504 P505 D506 T526 R528 F530 L532 V542	V504-Y508 HydrophobicContact CG1-CD2 4.06Å; P505-Y508 HydrophobicContact CB-CD2 4.01Å; P505-Y508 HydrophobicContact CB-CE2 4Å; P505-Y508 HydrophobicContact CG-CD2 4.28Å; P505-Y508 HydrophobicContact CG-CE2 4.03Å; P505-Y508 WeakPolarHBondContact O-CD2 3.05Å; P505-Y508 PolarHBondContact O-N 3.01Å; D506-Y508 PolarHBondContact O-N 3.11Å; Y508-T526 WeakPolarHBondContact O-CB 3.18Å; Y508-T526 PolarHBondContact O-OG1 3.41Å; Y508-R528 WeakPolarHBondContact O-CB 3.12Å; Y508-F530 AromaticContact CD1-CD1 3.64Å; Y508-F530 HydrophobicContact CD1-CD1 3.64Å; Y508-F530 AromaticContact CD1-CD2 3.97Å; Y508-F530 HydrophobicContact CD1-CD2 3.97Å; Y508-F530 AromaticContact CD1-CE1 3.61Å; Y508-F530 HydrophobicContact CD1-CE1 3.61Å; Y508-F530 AromaticContact CD1-CE2 3.97Å; Y508-F530 HydrophobicContact CD1-CE2 3.97Å; Y508-F530 AromaticContact CD1-CG 3.82Å; Y508-F530 HydrophobicContact CD1-CG 3.82Å; Y508-F530 AromaticContact CD1-CZ 3.8Å; Y508-F530 HydrophobicContact CD1-CZ 3.8Å; Y508-F530 HydrophobicContact CE1-CD1 4.06Å; Y508-F530 AromaticContact CE1-CE1 3.82Å; Y508-F530 HydrophobicContact CE1-CE1 3.82Å; Y508-F530 HydrophobicContact CE1-CZ 4.26Å; Y508-L532 HydrophobicContact CD1-CD2 3.98Å; Y508-L532 HydrophobicContact CD2-CD1 3.81Å; Y508-L532 HydrophobicContact CD2-CD2 4.37Å; Y508-L532 HydrophobicContact CE1-CD2 4.14Å; Y508-L532 HydrophobicContact CE2-CD1 4.4Å; Y508-L532 HydrophobicContact CG-CD1 3.95Å; Y508-L532 HydrophobicContact CG-CD2 4.09Å; Y508-V542 HydrophobicContact CD1-CG2 4.37Å; Y508-V542 HydrophobicContact CE1-CG2 3.48Å; Y508-V542 VanDerWaalsContact CE1-CG2 3.48Å
509	G	96.2	Very high	96.5	Very high	2 Å²	2	45 Å²	45	2%	0.021	24%	0.237	C	C	.	.			trans	80.1	-156.7	175.6	0	0	0	0	0	115.6	D506	D506-G509 WeakPolarHBondContact O-CA 3.29Å; D506-G509 PolarHBondContact O-N 3.5Å
510	N	97.1	Very high	96.2	Very high	54 Å²	54	45.9 Å²	45.9	29%	0.289	24%	0.242	S	C	.	.	S	Bend	trans	-73.2	146.5	-170.9	-64.4	-55.5	0	0	0	112.3	G484 K485 T526 S527	G484-N510 WeakPolarHBondContact O-CA 3.22Å; G484-N510 WeakPolarHBondContact O-CB 3.42Å; G484-N510 PolarHBondContact O-OD1 3.39Å; K485-N510 WeakPolarHBondContact CA-OD1 3.3Å; N510-T526 CarbonylContact O-C 3.59Å; N510-T526 VanDerWaalsContact O-CA 3.29Å; N510-T526 WeakPolarHBondContact O-CA 3.43Å; N510-S527 WeakPolarHBondContact CB-OG 3.11Å; N510-S527 PolarHBondContact N-OG 2.97Å; N510-S527 VanDerWaalsContact N-OG 3.13Å; N510-S527 PolarHBondContact O-N 3.19Å
511	I	97.9	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.9	176.7	-61.7	168.1	0	0	0	110.4	G484 R487 R488 I489 V504 L514 V524	G484-I511 PolarHBondContact O-N 3.05Å; R487-I511 VanDerWaalsContact C-CD1 3.5Å; R487-I511 WeakPolarHBondContact O-CD1 3.38Å; R488-I511 WeakPolarHBondContact O-CD1 3.47Å; I489-I511 HydrophobicContact CD1-CD1 4.24Å; I489-I511 HydrophobicContact CG1-CD1 3.52Å; V504-I511 HydrophobicContact CG2-CD1 3.96Å; V504-I511 HydrophobicContact CG2-CG1 4.03Å; I511-L514 HydrophobicContact CG2-CG 4.38Å; I511-V524 HydrophobicContact CG1-CG1 4.22Å; I511-V524 HydrophobicContact CG2-CG1 4.11Å
512	R	96.8	Very high	96.3	Very high	56 Å²	56	40.1 Å²	40.1	21%	0.211	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	-34.2	-176.3	-70.7	-68.9	-154	-131.9	6.2	114.9	G223 R224 F469 G525	G223-R512 WeakPolarHBondContact O-CG 3.33Å; G223-R512 PolarHBondContact O-NE 3.46Å; G223-R512 VanDerWaalsContact O-NE 3.14Å; R224-R512 PolarHBondContact O-NH2 2.86Å; F469-R512 WeakPolarHBondContact CD1-O 3.26Å; F469-R512 HydrophobicContact CE1-CB 4.32Å; F469-R512 VanDerWaalsContact CE1-CD 3.47Å; F469-R512 HydrophobicContact CE1-CG 4.5Å; F469-R512 WeakPolarHBondContact CE1-O 3.46Å; R512-G525 WeakPolarHBondContact CA-O 3.49Å; R512-G525 WeakPolarHBondContact CB-O 3.27Å; R512-G525 PolarHBondContact N-O 3.07Å
513	A	97.5	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.3	177.1	0	0	0	0	0	110.1	V230 G525	V230-A513 HydrophobicContact CG1-CB 3.8Å; A513-G525 PolarHBondContact N-O 3.42Å; A513-G525 VanDerWaalsContact N-O 3.11Å; A513-G525 PolarHBondContact O-N 2.95Å
514	L	98	Very high	96.3	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.068	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.6	172.7	-73.4	173.9	0	0	0	109.3	C472 L480 I489 I511 L523 V524	C472-L514 HydrophobicContact CB-CB 4.38Å; L480-L514 HydrophobicContact CB-CD1 4.4Å; I489-L514 HydrophobicContact CD1-CD2 3.86Å; I489-L514 HydrophobicContact CG1-CD2 4.19Å; I489-L514 HydrophobicContact CG2-CD1 4.31Å; I489-L514 HydrophobicContact CG2-CD2 4.43Å; I511-L514 HydrophobicContact CG2-CG 4.38Å; L514-L523 WeakPolarHBondContact CA-O 3.46Å; L514-V524 HydrophobicContact CD2-CB 4.26Å; L514-V524 HydrophobicContact CD2-CG1 4.02Å; L514-V524 HydrophobicContact CD2-CG2 3.88Å
515	A	97.5	Very high	96.3	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.033	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.2	169.7	0	0	0	0	0	111.4	V230 F522 L523	V230-A515 HydrophobicContact CG1-CB 4.49Å; A515-F522 WeakPolarHBondContact O-CA 3.36Å; A515-L523 HydrophobicContact CB-CB 4.4Å; A515-L523 PolarHBondContact N-O 2.78Å; A515-L523 PolarHBondContact O-N 3Å
516	E	96.4	Very high	96.4	Very high	33 Å²	33	32.3 Å²	32.3	15%	0.154	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.7	171.7	-165.3	-175.3	163.3	0	0	110.8	C472 M474 R475	C472-E516 PolarHBondContact SG-N 3.39Å; M474-E516 WeakPolarHBondContact CA-OE2 3.45Å; M474-E516 HydrophobicContact CB-CG 4.45Å; M474-E516 HydrophobicContact CE-CG 4.01Å; M474-E516 HydrophobicContact CG-CG 4.31Å; R475-E516 WeakPolarHBondContact CG-OE2 3.18Å; R475-E516 VanDerWaalsContact CZ-CD 3.5Å; R475-E516 IonicContact CZ-OE1 3.12Å; R475-E516 IonicContact CZ-OE2 2.77Å; R475-E516 PolarHBondContact N-OE2 3.25Å; R475-E516 IonicContact NE-OE1 2.72Å; R475-E516 PolarHBondContact NE-OE1 2.77Å; R475-E516 IonicContact NE-OE2 3.6Å; R475-E516 PolarHBondContact NE-OE2 3.34Å; R475-E516 IonicContact NH2-OE1 2.69Å; R475-E516 PolarHBondContact NH2-OE1 2.96Å; R475-E516 IonicContact NH2-OE2 3.89Å
517	G	95.3	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.			trans	-96.5	-146.4	-178.1	0	0	0	0	0	114	R475 E521	R475-G517 PolarHBondContact NH2-O 2.69Å; G517-E521 WeakPolarHBondContact CA-O 3.44Å; G517-E521 PolarHBondContact N-O 2.8Å
518	K	93.1	Very high	96.5	Very high	101 Å²	101	28.5 Å²	28.5	44%	0.439	15%	0.149	S	C	.	.	S	Bend	trans	-102	123.3	177	-174.1	176.4	179.8	177.6	0	108.5	L232 E252 D520 E521	L232-K518 HydrophobicContact CD2-CB 4.39Å; E252-K518 IonicContact OE1-NZ 2.78Å; E252-K518 PolarHBondContact OE1-NZ 2.86Å; E252-K518 IonicContact OE2-NZ 3.46Å; E252-K518 PolarHBondContact OE2-NZ 2.8Å; K518-D520 PolarHBondContact O-N 2.88Å; K518-E521 WeakPolarHBondContact O-CB 3.47Å; K518-E521 VanDerWaalsContact O-CG 3.27Å; K518-E521 WeakPolarHBondContact O-CG 3.43Å; K518-E521 PolarHBondContact O-N 3.04Å
519	G	91.4	Very high	96.6	Very high	63 Å²	63	27 Å²	27	65%	0.649	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	-124	-173.5	0	0	0	0	0	111.8
520	D	90.8	Very high	96.6	Very high	98 Å²	98	27.9 Å²	27.9	52%	0.524	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.1	176.2	61.5	-45.3	0	0	0	113.9	K518	K518-D520 PolarHBondContact O-N 2.88Å
521	E	96.1	Very high	96.7	Very high	29 Å²	29	25.3 Å²	25.3	14%	0.136	13%	0.133	C	C	.	.			trans	-65.4	156.1	176.6	-62.2	180	150	0	0	113.6	G517 K518 R533 G534 T535	G517-E521 WeakPolarHBondContact CA-O 3.44Å; G517-E521 PolarHBondContact N-O 2.8Å; K518-E521 WeakPolarHBondContact O-CB 3.47Å; K518-E521 VanDerWaalsContact O-CG 3.27Å; K518-E521 WeakPolarHBondContact O-CG 3.43Å; K518-E521 PolarHBondContact O-N 3.04Å; E521-R533 WeakPolarHBondContact OE1-CD 3.26Å; E521-R533 IonicContact OE1-CZ 3.52Å; E521-R533 IonicContact OE1-NE 2.83Å; E521-R533 IonicContact OE1-NH1 3.58Å; E521-R533 PolarHBondContact OE1-NH1 2.94Å; E521-R533 WeakPolarHBondContact OE2-CD 3.24Å; E521-G534 CarbonylContact C-O 3.6Å; E521-G534 WeakPolarHBondContact CA-O 3.33Å; E521-T535 HydrophobicContact CG-CG2 4.1Å
522	F	97.7	Very high	96.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158	165.3	53.5	-92.4	0	0	0	111.5	L480 I489 I502 A515 V524 G534 F536 F540	L480-F522 HydrophobicContact CD1-CB 3.79Å; L480-F522 HydrophobicContact CD1-CG 4.32Å; I489-F522 HydrophobicContact CD1-CD2 4.18Å; I489-F522 HydrophobicContact CD1-CE2 3.59Å; I489-F522 HydrophobicContact CD1-CZ 4.44Å; I489-F522 HydrophobicContact CG2-CE2 4.33Å; I502-F522 HydrophobicContact CG2-CZ 4.03Å; A515-F522 WeakPolarHBondContact O-CA 3.36Å; F522-V524 HydrophobicContact CD2-CG2 3.81Å; F522-V524 HydrophobicContact CE2-CG2 3.91Å; F522-G534 PolarHBondContact N-O 3.06Å; F522-G534 PolarHBondContact O-N 2.91Å; F522-F536 HydrophobicContact CD1-CD2 4.43Å; F522-F536 AromaticContact CD1-CE2 3.94Å; F522-F536 HydrophobicContact CD1-CE2 3.94Å; F522-F536 HydrophobicContact CD1-CZ 4.43Å; F522-F536 AromaticContact CE1-CD2 3.73Å; F522-F536 HydrophobicContact CE1-CD2 3.73Å; F522-F536 HydrophobicContact CE1-CE1 4.39Å; F522-F536 AromaticContact CE1-CE2 3.48Å; F522-F536 HydrophobicContact CE1-CE2 3.48Å; F522-F536 VanDerWaalsContact CE1-CE2 3.48Å; F522-F536 HydrophobicContact CE1-CG 4.26Å; F522-F536 AromaticContact CE1-CZ 3.83Å; F522-F536 HydrophobicContact CE1-CZ 3.83Å; F522-F536 HydrophobicContact CZ-CE2 4.38Å; F522-F536 HydrophobicContact CZ-CZ 4.33Å; F522-F540 AromaticContact CE2-CE1 3.98Å; F522-F540 HydrophobicContact CE2-CE1 3.98Å; F522-F540 HydrophobicContact CZ-CE1 4.49Å
523	L	98.6	Very high	96.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139	178.5	-59.5	177.5	0	0	0	110.6	V230 L232 I238 L514 A515 L532 R533	V230-L523 HydrophobicContact CG2-CD1 4.46Å; L232-L523 HydrophobicContact CB-CD1 4.02Å; I238-L523 HydrophobicContact CB-CD1 4.48Å; I238-L523 HydrophobicContact CD1-CD1 4.18Å; I238-L523 HydrophobicContact CD1-CD2 3.94Å; I238-L523 HydrophobicContact CG1-CD1 3.89Å; I238-L523 HydrophobicContact CG1-CD2 4.5Å; I238-L523 HydrophobicContact CG2-CD1 3.98Å; L514-L523 WeakPolarHBondContact CA-O 3.46Å; A515-L523 HydrophobicContact CB-CB 4.4Å; A515-L523 PolarHBondContact N-O 2.78Å; A515-L523 PolarHBondContact O-N 3Å; L523-L532 CarbonylContact C-O 3.54Å; L523-L532 WeakPolarHBondContact CA-O 3.46Å; L523-R533 HydrophobicContact CD2-CB 3.94Å; L523-R533 HydrophobicContact CD2-CG 4.15Å
524	V	98.6	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.5	-177.9	-163.5	0	0	0	0	110.3	I489 V504 I511 L514 F522 T526 V531 L532 F540	I489-V524 HydrophobicContact CD1-CB 4.47Å; I489-V524 HydrophobicContact CD1-CG1 4.13Å; I489-V524 HydrophobicContact CD1-CG2 3.47Å; I489-V524 VanDerWaalsContact CD1-CG2 3.47Å; V504-V524 HydrophobicContact CG2-CG1 4.34Å; I511-V524 HydrophobicContact CG1-CG1 4.22Å; I511-V524 HydrophobicContact CG2-CG1 4.11Å; L514-V524 HydrophobicContact CD2-CB 4.26Å; L514-V524 HydrophobicContact CD2-CG1 4.02Å; L514-V524 HydrophobicContact CD2-CG2 3.88Å; F522-V524 HydrophobicContact CD2-CG2 3.81Å; F522-V524 HydrophobicContact CE2-CG2 3.91Å; V524-T526 HydrophobicContact CG1-CG2 4.34Å; V524-V531 WeakPolarHBondContact O-CA 3.32Å; V524-L532 HydrophobicContact CB-CB 4.2Å; V524-L532 PolarHBondContact N-O 2.75Å; V524-L532 PolarHBondContact O-N 2.84Å; V524-F540 HydrophobicContact CG2-CD1 4.48Å; V524-F540 HydrophobicContact CG2-CE1 4.05Å
525	G	98.5	Very high	96.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.2	166.3	0	0	0	0	0	110.2	R512 A513	R512-G525 WeakPolarHBondContact CA-O 3.49Å; R512-G525 WeakPolarHBondContact CB-O 3.27Å; R512-G525 PolarHBondContact N-O 3.07Å; A513-G525 PolarHBondContact N-O 3.42Å; A513-G525 VanDerWaalsContact N-O 3.11Å; A513-G525 PolarHBondContact O-N 2.95Å
526	T	98.4	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	166.7	-175	84.3	0	0	0	0	114	G223 Y508 N510 V524 R528 N529 F530 L532	G223-T526 VanDerWaalsContact CA-O 3.28Å; G223-T526 WeakPolarHBondContact CA-O 3.26Å; Y508-T526 WeakPolarHBondContact O-CB 3.18Å; Y508-T526 PolarHBondContact O-OG1 3.41Å; N510-T526 CarbonylContact O-C 3.59Å; N510-T526 VanDerWaalsContact O-CA 3.29Å; N510-T526 WeakPolarHBondContact O-CA 3.43Å; V524-T526 HydrophobicContact CG1-CG2 4.34Å; T526-R528 VanDerWaalsContact C-N 3.29Å; T526-R528 PolarHBondContact O-N 2.9Å; T526-R528 PolarHBondContact OG1-N 2.79Å; T526-N529 PolarHBondContact O-N 2.94Å; T526-F530 HydrophobicContact CG2-CB 4.22Å; T526-F530 PolarHBondContact N-O 3.41Å; T526-F530 PolarHBondContact OG1-N 3.39Å; T526-L532 HydrophobicContact CG2-CD1 4.09Å; T526-L532 HydrophobicContact CG2-CG 4.25Å
527	S	96.9	Very high	96.6	Very high	17 Å²	17	31.1 Å²	31.1	12%	0.119	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12	179.7	78	0	0	0	0	114.7	R224 N510 N529	R224-S527 WeakPolarHBondContact CA-O 3.32Å; N510-S527 WeakPolarHBondContact CB-OG 3.11Å; N510-S527 PolarHBondContact N-OG 2.97Å; N510-S527 VanDerWaalsContact N-OG 3.13Å; N510-S527 PolarHBondContact O-N 3.19Å; S527-N529 VanDerWaalsContact C-N 3.32Å
528	R	97	Very high	96.6	Very high	93 Å²	93	37.1 Å²	37.1	35%	0.351	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	31.9	171.9	-60.9	-178.8	-172.9	169.4	10.8	111.7	D506 Q507 Y508 T526 F530 T548	D506-R528 PolarHBondContact O-NH1 3.14Å; D506-R528 PolarHBondContact O-NH2 2.74Å; D506-R528 IonicContact OD1-NH2 3.75Å; D506-R528 IonicContact OD2-CZ 3.91Å; D506-R528 IonicContact OD2-NH1 2.78Å; D506-R528 IonicContact OD2-NH2 2.85Å; D506-R528 PolarHBondContact OD2-NH2 3.27Å; Q507-R528 VanDerWaalsContact CA-NH1 3.32Å; Q507-R528 VanDerWaalsContact O-CD 3.27Å; Q507-R528 WeakPolarHBondContact O-CD 3.36Å; Q507-R528 PolarHBondContact O-NH1 3.47Å; Y508-R528 WeakPolarHBondContact O-CB 3.12Å; T526-R528 VanDerWaalsContact C-N 3.29Å; T526-R528 PolarHBondContact O-N 2.9Å; T526-R528 PolarHBondContact OG1-N 2.79Å; R528-F530 VanDerWaalsContact C-N 3.26Å; R528-F530 HydrophobicContact CB-CD2 3.94Å; R528-F530 HydrophobicContact CB-CE2 3.94Å; R528-F530 WeakPolarHBondContact O-CD2 3.38Å; R528-F530 WeakPolarHBondContact O-CE2 3.42Å; R528-F530 PolarHBondContact O-N 3.4Å; R528-T548 HydrophobicContact CB-CG2 3.97Å; R528-T548 VanDerWaalsContact O-CG2 3.3Å; R528-T548 WeakPolarHBondContact O-CG2 3.49Å
529	N	97.8	Very high	96.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.011	19%	0.186	C	C	.	.	S	Bend	trans	59.8	28.1	173.1	-69	-1.3	0	0	0	115.4	Y221 G223 R224 T526 S527 H547 T548 T813	Y221-N529 VanDerWaalsContact O-CA 3.26Å; Y221-N529 WeakPolarHBondContact O-CA 3.41Å; Y221-N529 WeakPolarHBondContact O-CB 3.23Å; Y221-N529 PolarHBondContact O-OD1 2.88Å; Y221-N529 VanDerWaalsContact O-OD1 3.07Å; G223-N529 PolarHBondContact N-OD1 2.75Å; R224-N529 PolarHBondContact N-OD1 2.65Å; T526-N529 PolarHBondContact O-N 2.94Å; S527-N529 VanDerWaalsContact C-N 3.32Å; N529-H547 PolarHBondContact ND2-O 2.74Å; N529-T548 HydrophobicContact CB-CG2 4.07Å; N529-T813 PolarHBondContact ND2-OG1 3.02Å
530	F	98.1	Very high	97.1	Very high	20 Å²	20	31.9 Å²	31.9	9%	0.088	16%	0.162	C	C	.	.			trans	-92.5	149.2	169.6	-66.6	-98.2	0	0	0	112.2	Y221 Y508 T526 R528 L532 V542 V544 Q545	Y221-F530 WeakPolarHBondContact CD1-O 3.4Å; Y508-F530 AromaticContact CD1-CD1 3.64Å; Y508-F530 HydrophobicContact CD1-CD1 3.64Å; Y508-F530 AromaticContact CD1-CD2 3.97Å; Y508-F530 HydrophobicContact CD1-CD2 3.97Å; Y508-F530 AromaticContact CD1-CE1 3.61Å; Y508-F530 HydrophobicContact CD1-CE1 3.61Å; Y508-F530 AromaticContact CD1-CE2 3.97Å; Y508-F530 HydrophobicContact CD1-CE2 3.97Å; Y508-F530 AromaticContact CD1-CG 3.82Å; Y508-F530 HydrophobicContact CD1-CG 3.82Å; Y508-F530 AromaticContact CD1-CZ 3.8Å; Y508-F530 HydrophobicContact CD1-CZ 3.8Å; Y508-F530 HydrophobicContact CE1-CD1 4.06Å; Y508-F530 AromaticContact CE1-CE1 3.82Å; Y508-F530 HydrophobicContact CE1-CE1 3.82Å; Y508-F530 HydrophobicContact CE1-CZ 4.26Å; T526-F530 HydrophobicContact CG2-CB 4.22Å; T526-F530 PolarHBondContact N-O 3.41Å; T526-F530 PolarHBondContact OG1-N 3.39Å; R528-F530 VanDerWaalsContact C-N 3.26Å; R528-F530 HydrophobicContact CB-CD2 3.94Å; R528-F530 HydrophobicContact CB-CE2 3.94Å; R528-F530 WeakPolarHBondContact O-CD2 3.38Å; R528-F530 WeakPolarHBondContact O-CE2 3.42Å; R528-F530 PolarHBondContact O-N 3.4Å; F530-L532 HydrophobicContact CB-CD2 4.06Å; F530-L532 HydrophobicContact CB-CG 4.48Å; F530-L532 HydrophobicContact CD1-CD2 4.37Å; F530-V542 HydrophobicContact CD1-CG1 3.85Å; F530-V542 HydrophobicContact CD1-CG2 4.19Å; F530-V542 HydrophobicContact CE1-CG1 4.2Å; F530-V542 HydrophobicContact CE1-CG2 4.34Å; F530-V544 CarbonylContact C-O 3.47Å; F530-V544 VanDerWaalsContact CA-O 3.26Å; F530-V544 WeakPolarHBondContact CA-O 3.37Å; F530-Q545 HydrophobicContact CD1-CB 3.89Å; F530-Q545 HydrophobicContact CD1-CG 3.99Å; F530-Q545 HydrophobicContact CE1-CB 3.82Å; F530-Q545 HydrophobicContact CE1-CG 3.48Å; F530-Q545 VanDerWaalsContact CE1-CG 3.48Å; F530-Q545 VanDerWaalsContact CE1-OE1 3.28Å; F530-Q545 HydrophobicContact CZ-CG 3.81Å
531	V	98.6	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.3	152.8	-175.9	0	0	0	0	108.1	Y221 V230 V524 E543 V544	Y221-V531 HydrophobicContact CD1-CG2 3.91Å; Y221-V531 HydrophobicContact CD2-CG2 3.83Å; Y221-V531 HydrophobicContact CE2-CG2 4.42Å; Y221-V531 HydrophobicContact CG-CG2 3.53Å; V230-V531 HydrophobicContact CG2-CG1 3.96Å; V230-V531 HydrophobicContact CG2-CG2 4.44Å; V524-V531 WeakPolarHBondContact O-CA 3.32Å; V531-E543 PolarHBondContact O-N 2.88Å; V531-V544 HydrophobicContact CB-CB 3.86Å; V531-V544 HydrophobicContact CB-CG2 4.02Å; V531-V544 HydrophobicContact CG2-CB 4.02Å; V531-V544 HydrophobicContact CG2-CG2 4.2Å; V531-V544 PolarHBondContact N-O 2.65Å; V531-V544 PolarHBondContact O-N 3.33Å; V531-V544 VanDerWaalsContact O-N 3.13Å
532	L	98.5	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.3	175.3	-47.2	177.3	0	0	0	109.8	V504 Y508 L523 V524 T526 F530 F540 Q541 V542	V504-L532 HydrophobicContact CG1-CD1 3.8Å; Y508-L532 HydrophobicContact CD1-CD2 3.98Å; Y508-L532 HydrophobicContact CD2-CD1 3.81Å; Y508-L532 HydrophobicContact CD2-CD2 4.37Å; Y508-L532 HydrophobicContact CE1-CD2 4.14Å; Y508-L532 HydrophobicContact CE2-CD1 4.4Å; Y508-L532 HydrophobicContact CG-CD1 3.95Å; Y508-L532 HydrophobicContact CG-CD2 4.09Å; L523-L532 CarbonylContact C-O 3.54Å; L523-L532 WeakPolarHBondContact CA-O 3.46Å; V524-L532 HydrophobicContact CB-CB 4.2Å; V524-L532 PolarHBondContact N-O 2.75Å; V524-L532 PolarHBondContact O-N 2.84Å; T526-L532 HydrophobicContact CG2-CD1 4.09Å; T526-L532 HydrophobicContact CG2-CG 4.25Å; F530-L532 HydrophobicContact CB-CD2 4.06Å; F530-L532 HydrophobicContact CB-CG 4.48Å; F530-L532 HydrophobicContact CD1-CD2 4.37Å; L532-F540 HydrophobicContact CB-CD1 4.19Å; L532-F540 HydrophobicContact CD1-CB 4.27Å; L532-F540 HydrophobicContact CD1-CD1 3.96Å; L532-F540 HydrophobicContact CD1-CG 4.22Å; L532-Q541 CarbonylContact C-O 3.59Å; L532-Q541 VanDerWaalsContact CA-O 3.28Å; L532-Q541 WeakPolarHBondContact CA-O 3.14Å; L532-V542 HydrophobicContact CD2-CB 4.42Å; L532-V542 HydrophobicContact CD2-CG2 3.76Å
533	R	97.9	Very high	97.4	Very high	39 Å²	39	34.3 Å²	34.3	15%	0.147	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.7	162.5	178.8	169	59.8	85.6	6.3	107.6	E521 L523 Q541 E543	E521-R533 WeakPolarHBondContact OE1-CD 3.26Å; E521-R533 IonicContact OE1-CZ 3.52Å; E521-R533 IonicContact OE1-NE 2.83Å; E521-R533 IonicContact OE1-NH1 3.58Å; E521-R533 PolarHBondContact OE1-NH1 2.94Å; E521-R533 WeakPolarHBondContact OE2-CD 3.24Å; L523-R533 HydrophobicContact CD2-CB 3.94Å; L523-R533 HydrophobicContact CD2-CG 4.15Å; R533-Q541 PolarHBondContact N-O 2.92Å; R533-Q541 PolarHBondContact O-N 2.76Å; R533-E543 HydrophobicContact CB-CG 3.81Å; R533-E543 IonicContact CZ-OE1 3.55Å; R533-E543 VanDerWaalsContact CZ-OE1 3.25Å; R533-E543 IonicContact NE-OE1 3.82Å; R533-E543 PolarHBondContact NE-OE1 3.3Å; R533-E543 IonicContact NH2-OE1 2.7Å; R533-E543 PolarHBondContact NH2-OE1 2.81Å
534	G	97.2	Very high	97.3	Very high	5 Å²	5	34.7 Å²	34.7	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	167.1	-177.9	0	0	0	0	0	115.1	E521 F522 G539	E521-G534 CarbonylContact C-O 3.6Å; E521-G534 WeakPolarHBondContact CA-O 3.33Å; F522-G534 PolarHBondContact N-O 3.06Å; F522-G534 PolarHBondContact O-N 2.91Å; G534-G539 CarbonylContact C-O 3.58Å; G534-G539 WeakPolarHBondContact CA-O 3.42Å
535	T	97.2	Very high	97.2	Very high	12 Å²	12	36.1 Å²	36.1	7%	0.074	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	166.4	172.9	74.4	0	0	0	0	108.4	E521 N537 D538 G539	E521-T535 HydrophobicContact CG-CG2 4.1Å; T535-N537 PolarHBondContact O-N 2.78Å; T535-N537 PolarHBondContact OG1-N 2.79Å; T535-D538 WeakPolarHBondContact OG1-CB 3.34Å; T535-D538 PolarHBondContact OG1-N 2.85Å; T535-D538 PolarHBondContact OG1-OD2 3.44Å; T535-G539 PolarHBondContact N-O 2.76Å; T535-G539 VanDerWaalsContact N-O 3.15Å; T535-G539 PolarHBondContact O-N 2.75Å
536	F	96.3	Very high	97	Very high	40 Å²	40	36.5 Å²	36.5	18%	0.175	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.8	173.8	-68.6	-80.7	0	0	0	113.5	L480 I489 L491 H500 I502 F522	L480-F536 HydrophobicContact CD2-CE2 3.95Å; L480-F536 HydrophobicContact CD2-CZ 3.68Å; I489-F536 HydrophobicContact CG2-CE1 4.46Å; I489-F536 HydrophobicContact CG2-CZ 4.2Å; L491-F536 HydrophobicContact CB-CE1 4.36Å; L491-F536 HydrophobicContact CB-CE2 3.86Å; L491-F536 HydrophobicContact CB-CZ 3.64Å; L491-F536 HydrophobicContact CD2-CD2 4.47Å; L491-F536 HydrophobicContact CD2-CE2 4.05Å; L491-F536 HydrophobicContact CG-CE2 4.44Å; H500-F536 HydrophobicContact CB-CB 4.24Å; H500-F536 HydrophobicContact CB-CD1 3.69Å; H500-F536 HydrophobicContact CB-CD2 4.26Å; H500-F536 HydrophobicContact CB-CE1 4.09Å; H500-F536 HydrophobicContact CB-CG 3.79Å; I502-F536 HydrophobicContact CB-CD1 4.02Å; I502-F536 HydrophobicContact CB-CE1 4.36Å; I502-F536 HydrophobicContact CG2-CD1 3.71Å; I502-F536 HydrophobicContact CG2-CE1 3.7Å; F522-F536 HydrophobicContact CD1-CD2 4.43Å; F522-F536 AromaticContact CD1-CE2 3.94Å; F522-F536 HydrophobicContact CD1-CE2 3.94Å; F522-F536 HydrophobicContact CD1-CZ 4.43Å; F522-F536 AromaticContact CE1-CD2 3.73Å; F522-F536 HydrophobicContact CE1-CD2 3.73Å; F522-F536 HydrophobicContact CE1-CE1 4.39Å; F522-F536 AromaticContact CE1-CE2 3.48Å; F522-F536 HydrophobicContact CE1-CE2 3.48Å; F522-F536 VanDerWaalsContact CE1-CE2 3.48Å; F522-F536 HydrophobicContact CE1-CG 4.26Å; F522-F536 AromaticContact CE1-CZ 3.83Å; F522-F536 HydrophobicContact CE1-CZ 3.83Å; F522-F536 HydrophobicContact CZ-CE2 4.38Å; F522-F536 HydrophobicContact CZ-CZ 4.33Å
537	N	94.9	Very high	97	Very high	132 Å²	132	36.6 Å²	36.6	71%	0.706	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-41.7	-176.7	-61	-58	0	0	0	112.8	T535	T535-N537 PolarHBondContact O-N 2.78Å; T535-N537 PolarHBondContact OG1-N 2.79Å
538	D	94.8	Very high	97	Very high	126 Å²	126	37 Å²	37	67%	0.674	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-7.3	-169.2	-47.9	-79.4	0	0	0	113.1	T535	T535-D538 WeakPolarHBondContact OG1-CB 3.34Å; T535-D538 PolarHBondContact OG1-N 2.85Å; T535-D538 PolarHBondContact OG1-OD2 3.44Å
539	G	96.8	Very high	97	Very high	18 Å²	18	35 Å²	35	19%	0.186	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80	-134.1	-179.3	0	0	0	0	0	113.2	G534 T535	G534-G539 CarbonylContact C-O 3.58Å; G534-G539 WeakPolarHBondContact CA-O 3.42Å; T535-G539 PolarHBondContact N-O 2.76Å; T535-G539 VanDerWaalsContact N-O 3.15Å; T535-G539 PolarHBondContact O-N 2.75Å
540	F	98.1	Very high	97	Very high	36 Å²	36	36 Å²	36	16%	0.158	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.8	-168.6	-58.2	-83.1	0	0	0	113.1	I489 I502 E503 V504 F522 V524 L532	I489-F540 HydrophobicContact CD1-CE1 3.95Å; I489-F540 HydrophobicContact CD1-CZ 4.17Å; I502-F540 HydrophobicContact CD1-CD2 4.49Å; I502-F540 HydrophobicContact CD1-CE2 3.78Å; I502-F540 HydrophobicContact CD1-CZ 4.1Å; I502-F540 HydrophobicContact CG1-CE2 3.87Å; I502-F540 HydrophobicContact CG1-CZ 4.1Å; I502-F540 HydrophobicContact CG2-CZ 3.95Å; E503-F540 WeakPolarHBondContact O-CE2 3.23Å; V504-F540 HydrophobicContact CB-CZ 4.32Å; V504-F540 HydrophobicContact CG2-CE1 3.77Å; V504-F540 HydrophobicContact CG2-CE2 4.24Å; V504-F540 HydrophobicContact CG2-CZ 3.55Å; F522-F540 AromaticContact CE2-CE1 3.98Å; F522-F540 HydrophobicContact CE2-CE1 3.98Å; F522-F540 HydrophobicContact CZ-CE1 4.49Å; V524-F540 HydrophobicContact CG2-CD1 4.48Å; V524-F540 HydrophobicContact CG2-CE1 4.05Å; L532-F540 HydrophobicContact CB-CD1 4.19Å; L532-F540 HydrophobicContact CD1-CB 4.27Å; L532-F540 HydrophobicContact CD1-CD1 3.96Å; L532-F540 HydrophobicContact CD1-CG 4.22Å
541	Q	96.8	Very high	97	Very high	105 Å²	105	35.1 Å²	35.1	49%	0.491	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.1	171.1	-59.9	-178.9	11.8	0	0	109.1	L532 R533	L532-Q541 CarbonylContact C-O 3.59Å; L532-Q541 VanDerWaalsContact CA-O 3.28Å; L532-Q541 WeakPolarHBondContact CA-O 3.14Å; R533-Q541 PolarHBondContact N-O 2.92Å; R533-Q541 PolarHBondContact O-N 2.76Å
542	V	97	Very high	97	Very high	57 Å²	57	37.8 Å²	37.8	35%	0.345	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	115.1	178.4	175.6	0	0	0	0	109.2	Y508 F530 L532 Q545	Y508-V542 HydrophobicContact CD1-CG2 4.37Å; Y508-V542 HydrophobicContact CE1-CG2 3.48Å; Y508-V542 VanDerWaalsContact CE1-CG2 3.48Å; F530-V542 HydrophobicContact CD1-CG1 3.85Å; F530-V542 HydrophobicContact CD1-CG2 4.19Å; F530-V542 HydrophobicContact CE1-CG1 4.2Å; F530-V542 HydrophobicContact CE1-CG2 4.34Å; L532-V542 HydrophobicContact CD2-CB 4.42Å; L532-V542 HydrophobicContact CD2-CG2 3.76Å; V542-Q545 HydrophobicContact CG1-CB 4.16Å
543	E	97.1	Very high	97	Very high	17 Å²	17	37.8 Å²	37.8	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-34	177.4	-68.9	-65.1	179.1	0	0	112.3	F249 R254 V531 R533	F249-E543 HydrophobicContact CE1-CB 4.12Å; F249-E543 WeakPolarHBondContact CE1-O 3.42Å; R254-E543 IonicContact NH1-OE2 2.7Å; R254-E543 PolarHBondContact NH1-OE2 2.79Å; V531-E543 PolarHBondContact O-N 2.88Å; R533-E543 HydrophobicContact CB-CG 3.81Å; R533-E543 IonicContact CZ-OE1 3.55Å; R533-E543 VanDerWaalsContact CZ-OE1 3.25Å; R533-E543 IonicContact NE-OE1 3.82Å; R533-E543 PolarHBondContact NE-OE1 3.3Å; R533-E543 IonicContact NH2-OE1 2.7Å; R533-E543 PolarHBondContact NH2-OE1 2.81Å
544	V	97.8	Very high	97	Very high	10 Å²	10	36.4 Å²	36.4	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.5	174.6	-173	0	0	0	0	109.8	Y240 F249 F530 V531	Y240-V544 HydrophobicContact CE1-CG2 3.93Å; Y240-V544 HydrophobicContact CE2-CG1 4.37Å; F249-V544 HydrophobicContact CD1-CG2 3.76Å; F249-V544 HydrophobicContact CE1-CG2 3.83Å; F530-V544 CarbonylContact C-O 3.47Å; F530-V544 VanDerWaalsContact CA-O 3.26Å; F530-V544 WeakPolarHBondContact CA-O 3.37Å; V531-V544 HydrophobicContact CB-CB 3.86Å; V531-V544 HydrophobicContact CB-CG2 4.02Å; V531-V544 HydrophobicContact CG2-CB 4.02Å; V531-V544 HydrophobicContact CG2-CG2 4.2Å; V531-V544 PolarHBondContact N-O 2.65Å; V531-V544 PolarHBondContact O-N 3.33Å; V531-V544 VanDerWaalsContact O-N 3.13Å
545	Q	95.8	Very high	97.1	Very high	30 Å²	30	36.4 Å²	36.4	14%	0.14	19%	0.192	C	C	.	.			trans	-140.9	155.2	170.9	177.1	175.3	-14.5	0	0	109	G220 F530 V542 W575	G220-Q545 WeakPolarHBondContact CA-O 3.47Å; G220-Q545 PolarHBondContact N-O 3.03Å; F530-Q545 HydrophobicContact CD1-CB 3.89Å; F530-Q545 HydrophobicContact CD1-CG 3.99Å; F530-Q545 HydrophobicContact CE1-CB 3.82Å; F530-Q545 HydrophobicContact CE1-CG 3.48Å; F530-Q545 VanDerWaalsContact CE1-CG 3.48Å; F530-Q545 VanDerWaalsContact CE1-OE1 3.28Å; F530-Q545 HydrophobicContact CZ-CG 3.81Å; V542-Q545 HydrophobicContact CG1-CB 4.16Å; Q545-W575 HydrophobicContact CB-CH2 4.48Å; Q545-W575 HydrophobicContact CG-CH2 4.34Å
546	G	94.5	Very high	97.1	Very high	8 Å²	8	37.1 Å²	37.1	8%	0.082	20%	0.196	C	C	.	.			trans	-164.1	-177.1	167.1	0	0	0	0	0	111.3
547	H	98.1	Very high	97.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	19%	0.189	C	C	.	.			trans	-68.7	160.6	174.5	-73	-79.5	0	0	0	111.5	N529 T565 A567 D569 M571 T813	N529-H547 PolarHBondContact ND2-O 2.74Å; H547-T565 WeakPolarHBondContact NE2-CB 3.3Å; H547-T565 PolarHBondContact NE2-OG1 2.9Å; H547-A567 HydrophobicContact CB-CB 4.2Å; H547-A567 WeakPolarHBondContact ND1-CB 3.42Å; H547-D569 VanDerWaalsContact CA-OD2 3.26Å; H547-D569 WeakPolarHBondContact CA-OD2 3.35Å; H547-D569 WeakPolarHBondContact CB-OD2 3.36Å; H547-D569 IonicContact CE1-OD1 3.24Å; H547-D569 IonicContact CG-OD2 3.61Å; H547-D569 IonicContact ND1-OD1 3.39Å; H547-D569 PolarHBondContact ND1-OD1 2.9Å; H547-D569 IonicContact ND1-OD2 2.77Å; H547-D569 PolarHBondContact ND1-OD2 2.97Å; H547-M571 PolarHBondContact CE1-O 3.24Å; H547-T813 WeakPolarHBondContact O-CB 3.49Å
548	T	97.3	Very high	97.4	Very high	26 Å²	26	31.8 Å²	31.8	16%	0.16	17%	0.172	C	C	.	.	S	Bend	trans	-117	-11.2	-175.3	63.2	0	0	0	0	113.6	R224 R528 N529 D569	R224-T548 WeakPolarHBondContact CD-O 3.16Å; R224-T548 PolarHBondContact NH1-O 2.78Å; R528-T548 HydrophobicContact CB-CG2 3.97Å; R528-T548 VanDerWaalsContact O-CG2 3.3Å; R528-T548 WeakPolarHBondContact O-CG2 3.49Å; N529-T548 HydrophobicContact CB-CG2 4.07Å; T548-D569 PolarHBondContact N-OD2 3.11Å; T548-D569 WeakPolarHBondContact OG1-CB 3.2Å; T548-D569 PolarHBondContact OG1-OD2 2.82Å
549	D	97.4	Very high	97.5	Very high	51 Å²	51	29.2 Å²	29.2	27%	0.273	16%	0.164	S	C	.	.	S	Bend	trans	-140.6	-179	177	-136.2	-42.9	0	0	0	111.2	R224 L551 Q568 D569	R224-D549 IonicContact CZ-OD2 3.16Å; R224-D549 VanDerWaalsContact NH1-CG 3.3Å; R224-D549 IonicContact NH1-OD2 3.62Å; R224-D549 PolarHBondContact NH1-OD2 3Å; R224-D549 IonicContact NH2-OD2 2.7Å; R224-D549 PolarHBondContact NH2-OD2 2.67Å; D549-L551 PolarHBondContact O-N 2.96Å; D549-Q568 HydrophobicContact CB-CB 4.22Å; D549-D569 HydrophobicContact CB-CB 3.97Å
550	E	97.8	Very high	97.5	Very high	23 Å²	23	33.5 Å²	33.5	11%	0.107	18%	0.175	C	C	.	.			trans	-56.8	122.3	-168.7	-177.1	177.3	-167.3	0	0	114.1	W552 A567 Q568 G810 K811	E550-W552 PolarHBondContact OE1-NE1 2.86Å; E550-A567 WeakPolarHBondContact O-CB 3.37Å; E550-Q568 HydrophobicContact CB-CG 4.33Å; E550-Q568 PolarHBondContact O-N 2.96Å; E550-Q568 PolarHBondContact OE2-NE2 3.3Å; E550-G810 WeakPolarHBondContact CA-O 3.1Å; E550-K811 HydrophobicContact CB-CG 3.98Å; E550-K811 HydrophobicContact CG-CG 3.75Å; E550-K811 VanDerWaalsContact OE1-CE 3.31Å; E550-K811 WeakPolarHBondContact OE1-CE 3.36Å; E550-K811 WeakPolarHBondContact OE2-CE 3.5Å; E550-K811 IonicContact OE2-NZ 3.84Å
551	L	97.4	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.2	-172.1	172.6	62.1	0	0	0	112.8	D549 C566 A567 T794 T808 G810 V815	D549-L551 PolarHBondContact O-N 2.96Å; L551-C566 VanDerWaalsContact CD1-O 3.32Å; L551-C566 WeakPolarHBondContact CD1-O 3.34Å; L551-A567 HydrophobicContact CB-CB 3.95Å; L551-A567 HydrophobicContact CD1-CB 3.79Å; L551-A567 HydrophobicContact CG-CB 4.46Å; L551-T794 WeakPolarHBondContact O-CB 3.41Å; L551-T794 PolarHBondContact O-OG1 3.12Å; L551-T808 HydrophobicContact CD1-CG2 4.37Å; L551-T808 HydrophobicContact CD2-CG2 3.62Å; L551-T808 HydrophobicContact CG-CG2 3.79Å; L551-G810 PolarHBondContact N-O 3.01Å; L551-G810 VanDerWaalsContact N-O 3.14Å; L551-G810 VanDerWaalsContact O-CA 3.31Å; L551-G810 WeakPolarHBondContact O-CA 3.43Å; L551-G810 PolarHBondContact O-N 3.1Å; L551-V815 HydrophobicContact CD2-CG2 3.57Å
552	W	98.3	Very high	97.6	Very high	57 Å²	57	30 Å²	30	22%	0.216	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	-33.2	177.1	-79.2	80.7	0	0	0	113.7	E550 L554 H593 N749 T794 N795	E550-W552 PolarHBondContact OE1-NE1 2.86Å; W552-L554 PolarHBondContact O-N 3.41Å; W552-H593 CarbonylContact C-O 3.59Å; W552-H593 WeakPolarHBondContact CB-ND1 3.12Å; W552-H593 VanDerWaalsContact CB-O 3.29Å; W552-H593 WeakPolarHBondContact CB-O 3.42Å; W552-H593 AromaticContact CD2-CE1 3.44Å; W552-H593 VanDerWaalsContact CD2-CE1 3.44Å; W552-H593 AromaticContact CE3-CE1 3.64Å; W552-H593 AromaticContact CG-CE1 3.45Å; W552-H593 VanDerWaalsContact CG-CE1 3.45Å; W552-H593 AromaticContact CG-ND1 3.54Å; W552-N749 HydrophobicContact CH2-CB 4.38Å; W552-N749 HydrophobicContact CZ3-CB 4.24Å; W552-T794 HydrophobicContact CD2-CG2 3.64Å; W552-T794 VanDerWaalsContact CE2-CG2 3.4Å; W552-T794 HydrophobicContact CE3-CG2 4.1Å; W552-T794 HydrophobicContact CG-CG2 4.08Å; W552-T794 HydrophobicContact CH2-CG2 4.14Å; W552-T794 HydrophobicContact CZ2-CG2 3.68Å; W552-T794 HydrophobicContact CZ3-CG2 4.33Å; W552-N795 PolarHBondContact O-ND2 2.9Å
553	G	97.9	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.7	-174.9	0	0	0	0	0	111.6	T565 C566 H593	G553-T565 VanDerWaalsContact O-CA 3.23Å; G553-T565 WeakPolarHBondContact O-CA 3.43Å; G553-C566 WeakPolarHBondContact CA-O 3.14Å; G553-C566 PolarHBondContact N-O 3.24Å; G553-C566 PolarHBondContact O-N 2.95Å; G553-C566 VanDerWaalsContact O-N 3.14Å; G553-H593 WeakPolarHBondContact CA-O 3.42Å; G553-H593 PolarHBondContact N-O 2.97Å
554	L	98.8	Very high	97.7	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.052	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	126.1	175.5	174.9	62.9	0	0	0	109	W552 F563 L564 T565 N795 I806 T808	W552-L554 PolarHBondContact O-N 3.41Å; L554-F563 HydrophobicContact CD1-CD2 4.15Å; L554-L564 WeakPolarHBondContact CA-O 3.27Å; L554-T565 HydrophobicContact CD1-CG2 4.09Å; L554-N795 HydrophobicContact CB-CB 4.05Å; L554-N795 HydrophobicContact CD2-CB 4.26Å; L554-I806 HydrophobicContact CD1-CB 4.11Å; L554-I806 HydrophobicContact CD1-CG2 3.61Å; L554-I806 HydrophobicContact CD2-CB 4.23Å; L554-I806 HydrophobicContact CD2-CG2 4.17Å; L554-T808 HydrophobicContact CB-CG2 4.11Å; L554-T808 HydrophobicContact CD2-CG2 4.4Å
555	A	98.6	Very high	97.8	Very high	5 Å²	5	26 Å²	26	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.7	172.7	0	0	0	0	0	109.7	F563 L564 A595 F597	A555-F563 CarbonylContact O-C 3.56Å; A555-F563 VanDerWaalsContact O-CA 3.27Å; A555-F563 WeakPolarHBondContact O-CA 3.32Å; A555-F563 WeakPolarHBondContact O-CB 3.17Å; A555-L564 PolarHBondContact N-O 3.25Å; A555-L564 PolarHBondContact O-N 3.36Å; A555-A595 HydrophobicContact CB-CB 4.07Å; A555-F597 HydrophobicContact CB-CD2 3.75Å; A555-F597 HydrophobicContact CB-CE2 3.9Å
556	T	98.5	Very high	97.9	Very high	26 Å²	26	24.5 Å²	24.5	16%	0.16	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.1	176.7	49.7	0	0	0	0	110.2	F563 F597 S797 F798 L799	T556-F563 HydrophobicContact CG2-CB 3.98Å; T556-F597 WeakPolarHBondContact O-CD2 3.43Å; T556-S797 WeakPolarHBondContact CG2-OG 3.49Å; T556-S797 PolarHBondContact OG1-OG 3.13Å; T556-F798 WeakPolarHBondContact CB-O 3.12Å; T556-F798 WeakPolarHBondContact CG2-O 3.41Å; T556-F798 PolarHBondContact OG1-O 2.73Å; T556-L799 HydrophobicContact CG2-CD2 3.71Å
557	H	98.6	Very high	98	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.028	13%	0.125	C	C	.	.			trans	-72.6	132.7	-173.8	-176	-82.5	0	0	0	110.1	S559 R560 Q562 F597 G601	H557-S559 PolarHBondContact CE1-OG 3.14Å; H557-S559 VanDerWaalsContact CE1-OG 3.27Å; H557-S559 PolarHBondContact ND1-N 2.88Å; H557-S559 PolarHBondContact O-N 2.79Å; H557-R560 HydrophobicContact CB-CB 4.48Å; H557-R560 VanDerWaalsContact CE1-CD 3.49Å; H557-R560 WeakPolarHBondContact CE1-CD 3.42Å; H557-R560 VanDerWaalsContact CE1-CG 3.47Å; H557-R560 WeakPolarHBondContact CE1-CG 3.43Å; H557-R560 VanDerWaalsContact ND1-CB 3.32Å; H557-R560 WeakPolarHBondContact ND1-CB 3.23Å; H557-R560 WeakPolarHBondContact ND1-CG 3.49Å; H557-R560 PolarHBondContact ND1-N 3.31Å; H557-R560 VanDerWaalsContact ND1-N 3.13Å; H557-Q562 HydrophobicContact CB-CB 3.93Å; H557-Q562 WeakPolarHBondContact CB-O 3.33Å; H557-Q562 PolarHBondContact N-O 2.94Å; H557-F597 HydrophobicContact CB-CD2 4.38Å; H557-F597 HydrophobicContact CB-CE2 4.2Å; H557-F597 HydrophobicContact CB-CZ 4.32Å; H557-F597 AromaticContact CD2-CD1 3.89Å; H557-F597 AromaticContact CD2-CE1 3.81Å; H557-G601 VanDerWaalsContact NE2-CA 3.3Å; H557-G601 WeakPolarHBondContact NE2-CA 3.22Å; H557-G601 PolarHBondContact NE2-O 2.86Å
558	P	97.8	Very high	98	Very high	55 Å²	55	26.6 Å²	26.6	36%	0.357	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.7	-166.2	24.8	-35.6	0	0	0	115.3	P599	P558-P599 WeakPolarHBondContact CG-O 3.34Å
559	S	97.3	Very high	97.9	Very high	71 Å²	71	26.6 Å²	26.6	50%	0.497	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.4	9.8	-172.7	60	0	0	0	0	115.4	H557	H557-S559 PolarHBondContact CE1-OG 3.14Å; H557-S559 VanDerWaalsContact CE1-OG 3.27Å; H557-S559 PolarHBondContact ND1-N 2.88Å; H557-S559 PolarHBondContact O-N 2.79Å
560	R	97.5	Very high	97.9	Very high	109 Å²	109	27.3 Å²	27.3	41%	0.411	14%	0.137	S	C	.	.	S	Bend	trans	-139.5	151.5	-179.2	-60.8	173.1	-179.2	173.1	-1.8	108.8	H557 Q562 E619 H800	H557-R560 HydrophobicContact CB-CB 4.48Å; H557-R560 VanDerWaalsContact CE1-CD 3.49Å; H557-R560 WeakPolarHBondContact CE1-CD 3.42Å; H557-R560 VanDerWaalsContact CE1-CG 3.47Å; H557-R560 WeakPolarHBondContact CE1-CG 3.43Å; H557-R560 VanDerWaalsContact ND1-CB 3.32Å; H557-R560 WeakPolarHBondContact ND1-CB 3.23Å; H557-R560 WeakPolarHBondContact ND1-CG 3.49Å; H557-R560 PolarHBondContact ND1-N 3.31Å; H557-R560 VanDerWaalsContact ND1-N 3.13Å; R560-Q562 HydrophobicContact CB-CB 4.39Å; R560-Q562 HydrophobicContact CB-CG 4.23Å; R560-Q562 PolarHBondContact O-N 3.05Å; R560-E619 IonicContact NH1-OE2 2.76Å; R560-E619 IonicContact NH2-OE2 2.88Å; R560-E619 PolarHBondContact NH2-OE2 3.05Å; R560-H800 VanDerWaalsContact C-NE2 3.3Å; R560-H800 PolarHBondContact O-CD2 2.8Å
561	E	97.1	Very high	97.9	Very high	45 Å²	45	28.4 Å²	28.4	21%	0.21	14%	0.142	C	C	.	.	S	Bend	trans	-75.6	64	173.8	-64	-70.3	-162.1	0	0	110.2	N576 S577 V578 L799 H800 S801 S803	E561-N576 PolarHBondContact O-OD1 2.77Å; E561-S577 WeakPolarHBondContact CB-OG 3.37Å; E561-S577 PolarHBondContact O-N 3.16Å; E561-S577 VanDerWaalsContact O-N 3.08Å; E561-S577 PolarHBondContact O-OG 2.9Å; E561-S577 VanDerWaalsContact O-OG 3.05Å; E561-V578 HydrophobicContact CB-CG2 3.55Å; E561-V578 HydrophobicContact CG-CG2 4.18Å; E561-L799 VanDerWaalsContact OE2-CB 3.22Å; E561-L799 WeakPolarHBondContact OE2-CB 3.44Å; E561-L799 WeakPolarHBondContact OE2-CD1 3.13Å; E561-H800 PolarHBondContact N-NE2 2.96Å; E561-H800 IonicContact OE1-NE2 3.91Å; E561-H800 IonicContact OE2-CD2 3.35Å; E561-H800 IonicContact OE2-NE2 3.16Å; E561-S801 WeakPolarHBondContact OE1-CB 3.39Å; E561-S801 PolarHBondContact OE1-OG 2.71Å; E561-S803 PolarHBondContact OE1-OG 3.08Å
562	Q	98.1	Very high	97.9	Very high	21 Å²	21	28.4 Å²	28.4	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.1	-176.6	-71.7	179.9	-36	0	0	109.8	H557 R560 L574 W575	H557-Q562 HydrophobicContact CB-CB 3.93Å; H557-Q562 WeakPolarHBondContact CB-O 3.33Å; H557-Q562 PolarHBondContact N-O 2.94Å; R560-Q562 HydrophobicContact CB-CB 4.39Å; R560-Q562 HydrophobicContact CB-CG 4.23Å; R560-Q562 PolarHBondContact O-N 3.05Å; Q562-L574 HydrophobicContact CB-CD1 4.49Å; Q562-W575 VanDerWaalsContact CA-O 3.26Å; Q562-W575 WeakPolarHBondContact CA-O 3.44Å; Q562-W575 WeakPolarHBondContact CB-O 3.39Å
563	F	98.8	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154	175.6	67.5	-89.2	0	0	0	110.6	Y219 L554 A555 T556 T565 W575 L799 I806 V815	Y219-F563 HydrophobicContact CD2-CZ 4.23Å; Y219-F563 HydrophobicContact CE1-CZ 4.37Å; Y219-F563 HydrophobicContact CE2-CE1 4.21Å; Y219-F563 AromaticContact CE2-CZ 3.67Å; Y219-F563 HydrophobicContact CE2-CZ 3.67Å; Y219-F563 AromaticContact CZ-CZ 3.75Å; L554-F563 HydrophobicContact CD1-CD2 4.15Å; A555-F563 CarbonylContact O-C 3.56Å; A555-F563 VanDerWaalsContact O-CA 3.27Å; A555-F563 WeakPolarHBondContact O-CA 3.32Å; A555-F563 WeakPolarHBondContact O-CB 3.17Å; T556-F563 HydrophobicContact CG2-CB 3.98Å; F563-T565 HydrophobicContact CD2-CG2 4.1Å; F563-T565 HydrophobicContact CE2-CG2 4.13Å; F563-W575 HydrophobicContact CD1-CB 4.18Å; F563-W575 HydrophobicContact CD2-CB 4.21Å; F563-W575 AromaticContact CD2-CD1 3.69Å; F563-W575 HydrophobicContact CD2-CG 4.24Å; F563-W575 HydrophobicContact CE1-CB 3.72Å; F563-W575 HydrophobicContact CE1-CG 4.41Å; F563-W575 HydrophobicContact CE2-CB 3.74Å; F563-W575 AromaticContact CE2-CD1 3.24Å; F563-W575 AromaticContact CE2-CG 3.58Å; F563-W575 HydrophobicContact CE2-CG 3.58Å; F563-W575 AromaticContact CE2-NE1 3.98Å; F563-W575 HydrophobicContact CG-CB 4.4Å; F563-W575 HydrophobicContact CZ-CB 3.47Å; F563-W575 VanDerWaalsContact CZ-CB 3.47Å; F563-W575 AromaticContact CZ-CD1 3.85Å; F563-W575 AromaticContact CZ-CG 3.68Å; F563-W575 HydrophobicContact CZ-CG 3.68Å; F563-W575 PolarHBondContact N-O 2.84Å; F563-W575 VanDerWaalsContact N-O 3.07Å; F563-W575 PolarHBondContact O-N 2.83Å; F563-L799 HydrophobicContact CB-CD2 4.1Å; F563-L799 HydrophobicContact CD1-CD2 4.23Å; F563-I806 HydrophobicContact CB-CG1 4.38Å; F563-I806 HydrophobicContact CD1-CD1 3.78Å; F563-I806 HydrophobicContact CD1-CG1 3.9Å; F563-I806 HydrophobicContact CD2-CG1 4.46Å; F563-I806 HydrophobicContact CD2-CG2 4.03Å; F563-I806 HydrophobicContact CE1-CD1 3.75Å; F563-I806 HydrophobicContact CE1-CG1 4.31Å; F563-I806 HydrophobicContact CE2-CG2 4.09Å; F563-I806 HydrophobicContact CG-CD1 4.34Å; F563-I806 HydrophobicContact CG-CG1 3.99Å; F563-I806 HydrophobicContact CG-CG2 4.4Å; F563-I806 HydrophobicContact CZ-CD1 4.3Å; F563-I806 HydrophobicContact CZ-CG2 4.48Å; F563-V815 HydrophobicContact CE2-CG1 3.84Å; F563-V815 HydrophobicContact CZ-CG1 4.23Å
564	L	98.8	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141	-179.6	176.1	145.5	0	0	0	110.4	L554 A555 V572 C573 L574 W584 A595 F597 V604 I606	L554-L564 WeakPolarHBondContact CA-O 3.27Å; A555-L564 PolarHBondContact N-O 3.25Å; A555-L564 PolarHBondContact O-N 3.36Å; L564-V572 HydrophobicContact CD1-CG1 3.66Å; L564-V572 HydrophobicContact CD2-CG1 4.02Å; L564-V572 HydrophobicContact CG-CG1 3.94Å; L564-C573 CarbonylContact C-O 3.57Å; L564-C573 VanDerWaalsContact CA-O 3.25Å; L564-C573 WeakPolarHBondContact CA-O 3.14Å; L564-L574 HydrophobicContact CB-CD1 4.11Å; L564-W584 HydrophobicContact CD1-CH2 3.73Å; L564-W584 HydrophobicContact CD1-CZ2 4.17Å; L564-A595 HydrophobicContact CD2-CB 3.79Å; L564-F597 HydrophobicContact CB-CE2 3.87Å; L564-F597 HydrophobicContact CB-CZ 3.84Å; L564-F597 HydrophobicContact CD1-CZ 4.48Å; L564-V604 HydrophobicContact CD1-CB 4.34Å; L564-V604 HydrophobicContact CD1-CG1 3.82Å; L564-V604 HydrophobicContact CD1-CG2 4.01Å; L564-V604 HydrophobicContact CD2-CG2 4.04Å; L564-I606 HydrophobicContact CD2-CD1 4.4Å
565	T	98.8	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.9	175	56.7	0	0	0	0	112.1	H547 G553 L554 F563 V572 C573 W575 T808 V815	H547-T565 WeakPolarHBondContact NE2-CB 3.3Å; H547-T565 PolarHBondContact NE2-OG1 2.9Å; G553-T565 VanDerWaalsContact O-CA 3.23Å; G553-T565 WeakPolarHBondContact O-CA 3.43Å; L554-T565 HydrophobicContact CD1-CG2 4.09Å; F563-T565 HydrophobicContact CD2-CG2 4.1Å; F563-T565 HydrophobicContact CE2-CG2 4.13Å; T565-V572 WeakPolarHBondContact O-CA 3.4Å; T565-C573 PolarHBondContact N-O 2.86Å; T565-C573 PolarHBondContact O-N 3.19Å; T565-W575 PolarHBondContact OG1-NE1 3.26Å; T565-T808 HydrophobicContact CG2-CG2 4.42Å; T565-V815 HydrophobicContact CG2-CG2 3.94Å
566	C	98.2	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	140.6	170.8	67.5	0	0	0	0	112.3	L551 G553 M571 V572 I606	L551-C566 VanDerWaalsContact CD1-O 3.32Å; L551-C566 WeakPolarHBondContact CD1-O 3.34Å; G553-C566 WeakPolarHBondContact CA-O 3.14Å; G553-C566 PolarHBondContact N-O 3.24Å; G553-C566 PolarHBondContact O-N 2.95Å; G553-C566 VanDerWaalsContact O-N 3.14Å; C566-M571 VanDerWaalsContact CA-O 3.31Å; C566-M571 WeakPolarHBondContact CA-O 3.37Å; C566-V572 HydrophobicContact CB-CG2 3.97Å; C566-I606 HydrophobicContact CB-CG2 4.33Å
567	A	97.4	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	179	-170.1	0	0	0	0	0	113.4	H547 E550 L551 D569 Q570 M571 G592	H547-A567 HydrophobicContact CB-CB 4.2Å; H547-A567 WeakPolarHBondContact ND1-CB 3.42Å; E550-A567 WeakPolarHBondContact O-CB 3.37Å; L551-A567 HydrophobicContact CB-CB 3.95Å; L551-A567 HydrophobicContact CD1-CB 3.79Å; L551-A567 HydrophobicContact CG-CB 4.46Å; A567-D569 PolarHBondContact O-N 2.9Å; A567-Q570 PolarHBondContact O-N 3.41Å; A567-Q570 VanDerWaalsContact O-N 3.15Å; A567-M571 PolarHBondContact N-O 2.88Å; A567-G592 CarbonylContact C-O 3.51Å; A567-G592 WeakPolarHBondContact CA-O 3.43Å; A567-G592 PolarHBondContact O-N 2.69Å
568	Q	97.5	Very high	97.7	Very high	53 Å²	53	30.5 Å²	30.5	25%	0.248	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.1	172.6	-67.7	177.6	29.3	0	0	113.7	D549 E550 Q570 H591	D549-Q568 HydrophobicContact CB-CB 4.22Å; E550-Q568 HydrophobicContact CB-CG 4.33Å; E550-Q568 PolarHBondContact O-N 2.96Å; E550-Q568 PolarHBondContact OE2-NE2 3.3Å; Q568-Q570 PolarHBondContact O-N 2.66Å; Q568-H591 HydrophobicContact CG-CB 4.4Å; Q568-H591 PolarHBondContact O-CE1 3.48Å; Q568-H591 PolarHBondContact O-ND1 2.75Å
569	D	96.4	Very high	97.5	Very high	26 Å²	26	30.8 Å²	30.8	14%	0.139	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	9.5	169.4	68.4	0.7	0	0	0	114.4	H547 T548 D549 A567 M571	H547-D569 VanDerWaalsContact CA-OD2 3.26Å; H547-D569 WeakPolarHBondContact CA-OD2 3.35Å; H547-D569 WeakPolarHBondContact CB-OD2 3.36Å; H547-D569 IonicContact CE1-OD1 3.24Å; H547-D569 IonicContact CG-OD2 3.61Å; H547-D569 IonicContact ND1-OD1 3.39Å; H547-D569 PolarHBondContact ND1-OD1 2.9Å; H547-D569 IonicContact ND1-OD2 2.77Å; H547-D569 PolarHBondContact ND1-OD2 2.97Å; T548-D569 PolarHBondContact N-OD2 3.11Å; T548-D569 WeakPolarHBondContact OG1-CB 3.2Å; T548-D569 PolarHBondContact OG1-OD2 2.82Å; D549-D569 HydrophobicContact CB-CB 3.97Å; A567-D569 PolarHBondContact O-N 2.9Å; D569-M571 PolarHBondContact O-N 2.66Å; D569-M571 WeakPolarHBondContact OD1-CB 3.4Å; D569-M571 PolarHBondContact OD1-N 3.25Å; D569-M571 VanDerWaalsContact OD1-N 3.12Å
570	Q	96.8	Very high	97.5	Very high	67 Å²	67	28.6 Å²	28.6	31%	0.313	14%	0.141	S	C	.	.	S	Bend	trans	63	3.3	-178.9	-52.9	176.3	-18.8	0	0	114	A567 Q568 T587 L588	A567-Q570 PolarHBondContact O-N 3.41Å; A567-Q570 VanDerWaalsContact O-N 3.15Å; Q568-Q570 PolarHBondContact O-N 2.66Å; Q570-T587 HydrophobicContact CB-CG2 4.13Å; Q570-T587 CarbonylContact O-C 3.52Å; Q570-T587 WeakPolarHBondContact O-CA 3.33Å; Q570-L588 PolarHBondContact O-N 3.45Å
571	M	96.9	Very high	97.4	Very high	45 Å²	45	24.9 Å²	24.9	22%	0.222	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.7	176.8	-62.1	-59.5	-60.9	0	0	110.7	H547 C566 A567 D569 T587	H547-M571 PolarHBondContact CE1-O 3.24Å; C566-M571 VanDerWaalsContact CA-O 3.31Å; C566-M571 WeakPolarHBondContact CA-O 3.37Å; A567-M571 PolarHBondContact N-O 2.88Å; D569-M571 PolarHBondContact O-N 2.66Å; D569-M571 WeakPolarHBondContact OD1-CB 3.4Å; D569-M571 PolarHBondContact OD1-N 3.25Å; D569-M571 VanDerWaalsContact OD1-N 3.12Å; M571-T587 HydrophobicContact SD-CG2 4.24Å; M571-T587 PolarHBondContact SD-OG1 2.96Å
572	V	98.1	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.5	165.1	-179.1	0	0	0	0	106.7	L564 T565 C566 W584 S585 R586 L588 I606 L616	L564-V572 HydrophobicContact CD1-CG1 3.66Å; L564-V572 HydrophobicContact CD2-CG1 4.02Å; L564-V572 HydrophobicContact CG-CG1 3.94Å; T565-V572 WeakPolarHBondContact O-CA 3.4Å; C566-V572 HydrophobicContact CB-CG2 3.97Å; V572-W584 HydrophobicContact CB-CZ3 4.31Å; V572-W584 HydrophobicContact CG1-CH2 3.93Å; V572-W584 HydrophobicContact CG1-CZ3 3.75Å; V572-S585 CarbonylContact O-C 3.57Å; V572-S585 WeakPolarHBondContact O-CA 3.47Å; V572-S585 WeakPolarHBondContact O-CB 3.49Å; V572-R586 PolarHBondContact N-O 3.48Å; V572-R586 PolarHBondContact O-N 3.39Å; V572-L588 HydrophobicContact CG2-CD1 3.53Å; V572-L588 HydrophobicContact CG2-CD2 4.34Å; V572-L588 HydrophobicContact CG2-CG 3.65Å; V572-I606 HydrophobicContact CB-CD1 4.2Å; V572-I606 HydrophobicContact CG1-CD1 3.51Å; V572-I606 HydrophobicContact CG2-CD1 3.57Å; V572-L616 HydrophobicContact CG1-CD1 4.3Å
573	C	98.3	Very high	97.2	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	123.9	-177.1	-65.6	0	0	0	0	110.1	L564 T565 W575 L582	L564-C573 CarbonylContact C-O 3.57Å; L564-C573 VanDerWaalsContact CA-O 3.25Å; L564-C573 WeakPolarHBondContact CA-O 3.14Å; T565-C573 PolarHBondContact N-O 2.86Å; T565-C573 PolarHBondContact O-N 3.19Å; C573-W575 HydrophobicContact CB-CD2 4.43Å; C573-W575 HydrophobicContact CB-CZ2 3.56Å; C573-W575 PolarHBondContact O-NE1 3.16Å; C573-L582 HydrophobicContact CB-CD1 3.58Å
574	L	98.5	Very high	97.1	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	168.1	-178	68.9	0	0	0	109.2	Q562 L564 Q583 W584 F597	Q562-L574 HydrophobicContact CB-CD1 4.49Å; L564-L574 HydrophobicContact CB-CD1 4.11Å; L574-Q583 HydrophobicContact CB-CB 4.46Å; L574-Q583 HydrophobicContact CD2-CB 4.15Å; L574-Q583 HydrophobicContact CG-CB 4.2Å; L574-Q583 PolarHBondContact O-N 2.94Å; L574-W584 HydrophobicContact CB-CD2 3.87Å; L574-W584 HydrophobicContact CB-CE3 4.41Å; L574-W584 HydrophobicContact CB-CG 4.2Å; L574-W584 HydrophobicContact CB-CZ2 4.01Å; L574-W584 HydrophobicContact CD2-CZ2 4.38Å; L574-W584 VanDerWaalsContact CD2-NE1 3.29Å; L574-W584 PolarHBondContact N-O 3.38Å; L574-W584 PolarHBondContact O-N 2.93Å; L574-F597 HydrophobicContact CD1-CZ 3.78Å
575	W	98.4	Very high	97	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.4	-176.8	-50.3	91.3	0	0	0	111.2	Y219 Q545 Q562 F563 T565 C573 S581 L582	Y219-W575 HydrophobicContact CD1-CD2 4.31Å; Y219-W575 AromaticContact CD1-CE3 3.75Å; Y219-W575 HydrophobicContact CD1-CE3 3.75Å; Y219-W575 AromaticContact CD1-CZ3 3.91Å; Y219-W575 HydrophobicContact CD1-CZ3 3.91Å; Y219-W575 HydrophobicContact CE1-CE3 4.01Å; Q545-W575 HydrophobicContact CB-CH2 4.48Å; Q545-W575 HydrophobicContact CG-CH2 4.34Å; Q562-W575 VanDerWaalsContact CA-O 3.26Å; Q562-W575 WeakPolarHBondContact CA-O 3.44Å; Q562-W575 WeakPolarHBondContact CB-O 3.39Å; F563-W575 HydrophobicContact CD1-CB 4.18Å; F563-W575 HydrophobicContact CD2-CB 4.21Å; F563-W575 AromaticContact CD2-CD1 3.69Å; F563-W575 HydrophobicContact CD2-CG 4.24Å; F563-W575 HydrophobicContact CE1-CB 3.72Å; F563-W575 HydrophobicContact CE1-CG 4.41Å; F563-W575 HydrophobicContact CE2-CB 3.74Å; F563-W575 AromaticContact CE2-CD1 3.24Å; F563-W575 AromaticContact CE2-CG 3.58Å; F563-W575 HydrophobicContact CE2-CG 3.58Å; F563-W575 AromaticContact CE2-NE1 3.98Å; F563-W575 HydrophobicContact CG-CB 4.4Å; F563-W575 HydrophobicContact CZ-CB 3.47Å; F563-W575 VanDerWaalsContact CZ-CB 3.47Å; F563-W575 AromaticContact CZ-CD1 3.85Å; F563-W575 AromaticContact CZ-CG 3.68Å; F563-W575 HydrophobicContact CZ-CG 3.68Å; F563-W575 PolarHBondContact N-O 2.84Å; F563-W575 VanDerWaalsContact N-O 3.07Å; F563-W575 PolarHBondContact O-N 2.83Å; T565-W575 PolarHBondContact OG1-NE1 3.26Å; C573-W575 HydrophobicContact CB-CD2 4.43Å; C573-W575 HydrophobicContact CB-CZ2 3.56Å; C573-W575 PolarHBondContact O-NE1 3.16Å; W575-S581 WeakPolarHBondContact CA-O 3.02Å; W575-L582 HydrophobicContact CD2-CD1 4.07Å; W575-L582 HydrophobicContact CE3-CB 4.06Å; W575-L582 HydrophobicContact CE3-CD1 3.95Å; W575-L582 HydrophobicContact CH2-CD1 4.09Å; W575-L582 HydrophobicContact CZ2-CD1 4.19Å; W575-L582 HydrophobicContact CZ3-CB 3.97Å; W575-L582 HydrophobicContact CZ3-CD1 3.96Å
576	N	97.1	Very high	96.9	Very high	29 Å²	29	35.1 Å²	35.1	16%	0.155	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.3	164.2	177.1	1.4	0	0	0	108.3	E561 V578 D579 H580 S581 Q583	E561-N576 PolarHBondContact O-OD1 2.77Å; N576-V578 VanDerWaalsContact C-N 3.34Å; N576-V578 WeakPolarHBondContact OD1-CB 3.32Å; N576-V578 PolarHBondContact OD1-N 2.93Å; N576-D579 VanDerWaalsContact CB-OD1 3.27Å; N576-D579 WeakPolarHBondContact CB-OD1 3.24Å; N576-D579 VanDerWaalsContact CG-OD1 3.24Å; N576-D579 PolarHBondContact ND2-OD1 2.91Å; N576-D579 PolarHBondContact ND2-OD2 2.78Å; N576-H580 VanDerWaalsContact O-CA 3.26Å; N576-H580 WeakPolarHBondContact O-CA 3.2Å; N576-H580 PolarHBondContact O-N 2.87Å; N576-S581 PolarHBondContact N-O 3.18Å; N576-S581 PolarHBondContact O-N 3.35Å; N576-Q583 HydrophobicContact CB-CG 3.85Å
577	S	97.3	Very high	96.8	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.2	-177.6	64.5	0	0	0	0	113.8	E561 H580 L799 Q817	E561-S577 WeakPolarHBondContact CB-OG 3.37Å; E561-S577 PolarHBondContact O-N 3.16Å; E561-S577 VanDerWaalsContact O-N 3.08Å; E561-S577 PolarHBondContact O-OG 2.9Å; E561-S577 VanDerWaalsContact O-OG 3.05Å; S577-H580 PolarHBondContact O-CE1 3.11Å; S577-H580 PolarHBondContact O-ND1 3.39Å; S577-L799 WeakPolarHBondContact OG-CD1 3.41Å; S577-Q817 PolarHBondContact O-NE2 3.1Å; S577-Q817 PolarHBondContact O-OE1 2.77Å
578	V	96.4	Very high	96.7	Very high	103 Å²	103	39.8 Å²	39.8	62%	0.624	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-37.9	-174.1	-174.2	0	0	0	0	112.6	E561 N576	E561-V578 HydrophobicContact CB-CG2 3.55Å; E561-V578 HydrophobicContact CG-CG2 4.18Å; N576-V578 VanDerWaalsContact C-N 3.34Å; N576-V578 WeakPolarHBondContact OD1-CB 3.32Å; N576-V578 PolarHBondContact OD1-N 2.93Å
579	D	94.7	Very high	96.5	Very high	62 Å²	62	43.4 Å²	43.4	33%	0.332	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-2.1	174.8	60	21.3	0	0	0	112.8	N576 S581	N576-D579 VanDerWaalsContact CB-OD1 3.27Å; N576-D579 WeakPolarHBondContact CB-OD1 3.24Å; N576-D579 VanDerWaalsContact CG-OD1 3.24Å; N576-D579 PolarHBondContact ND2-OD1 2.91Å; N576-D579 PolarHBondContact ND2-OD2 2.78Å; D579-S581 PolarHBondContact O-N 2.89Å; D579-S581 WeakPolarHBondContact OD1-CB 3.33Å; D579-S581 PolarHBondContact OD1-N 2.83Å; D579-S581 PolarHBondContact OD1-OG 3.21Å; D579-S581 PolarHBondContact OD2-OG 3.25Å
580	H	96.8	Very high	96.4	Very high	25 Å²	25	44 Å²	44	12%	0.116	23%	0.228	C	C	.	.			trans	55.6	32.5	-176.2	-45.9	-68.2	0	0	0	113.8	E216 W217 Y219 N576 S577 Q817	E216-H580 IonicContact OE1-CE1 2.72Å; W217-H580 HydrophobicContact CD2-CB 3.62Å; W217-H580 AromaticContact CD2-CD2 3.59Å; W217-H580 AromaticContact CD2-CG 3.37Å; W217-H580 AromaticContact CD2-ND1 3.75Å; W217-H580 AromaticContact CE2-CG 3.68Å; W217-H580 HydrophobicContact CE3-CB 4.13Å; W217-H580 AromaticContact CE3-CD2 3.17Å; W217-H580 AromaticContact CE3-CE1 3.92Å; W217-H580 AromaticContact CE3-CG 3.51Å; W217-H580 AromaticContact CE3-ND1 3.96Å; W217-H580 AromaticContact CE3-NE2 3.46Å; W217-H580 HydrophobicContact CG-CB 4Å; W217-H580 AromaticContact CG-CG 3.75Å; W217-H580 AromaticContact CG-ND1 3.67Å; W217-H580 HydrophobicContact CH2-CB 4.07Å; W217-H580 AromaticContact CH2-CD2 3.75Å; W217-H580 HydrophobicContact CZ2-CB 3.61Å; W217-H580 HydrophobicContact CZ3-CB 4.31Å; W217-H580 AromaticContact CZ3-CD2 3.25Å; W217-H580 WeakPolarHBondContact CZ3-CD2 3.22Å; W217-H580 AromaticContact CZ3-CG 3.88Å; W217-H580 AromaticContact CZ3-NE2 3.82Å; Y219-H580 HydrophobicContact CE1-CB 4.09Å; Y219-H580 PolarHBondContact OH-ND1 2.87Å; N576-H580 VanDerWaalsContact O-CA 3.26Å; N576-H580 WeakPolarHBondContact O-CA 3.2Å; N576-H580 PolarHBondContact O-N 2.87Å; S577-H580 PolarHBondContact O-CE1 3.11Å; S577-H580 PolarHBondContact O-ND1 3.39Å; H580-Q817 PolarHBondContact CE1-NE2 3.06Å; H580-Q817 VanDerWaalsContact CE1-NE2 3.34Å
581	S	94.5	Very high	96.4	Very high	31 Å²	31	44.7 Å²	44.7	22%	0.217	23%	0.231	C	C	.	.			trans	-93.1	155.7	178.6	69.9	0	0	0	0	113.6	W575 N576 D579 Q583	W575-S581 WeakPolarHBondContact CA-O 3.02Å; N576-S581 PolarHBondContact N-O 3.18Å; N576-S581 PolarHBondContact O-N 3.35Å; D579-S581 PolarHBondContact O-N 2.89Å; D579-S581 WeakPolarHBondContact OD1-CB 3.33Å; D579-S581 PolarHBondContact OD1-N 2.83Å; D579-S581 PolarHBondContact OD1-OG 3.21Å; D579-S581 PolarHBondContact OD2-OG 3.25Å; S581-Q583 PolarHBondContact OG-NE2 2.82Å
582	L	96.1	Very high	96.4	Very high	50 Å²	50	42.7 Å²	42.7	26%	0.262	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.6	159.4	-177	78.3	0	0	0	108.8	C573 W575 W584	C573-L582 HydrophobicContact CB-CD1 3.58Å; W575-L582 HydrophobicContact CD2-CD1 4.07Å; W575-L582 HydrophobicContact CE3-CB 4.06Å; W575-L582 HydrophobicContact CE3-CD1 3.95Å; W575-L582 HydrophobicContact CH2-CD1 4.09Å; W575-L582 HydrophobicContact CZ2-CD1 4.19Å; W575-L582 HydrophobicContact CZ3-CB 3.97Å; W575-L582 HydrophobicContact CZ3-CD1 3.96Å; L582-W584 WeakPolarHBondContact CD1-O 3.26Å
583	Q	96.4	Very high	96.4	Very high	91 Å²	91	43.4 Å²	43.4	43%	0.425	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-46.2	175.5	-63.7	-72.2	-71	0	0	110.9	L574 N576 S581	L574-Q583 HydrophobicContact CB-CB 4.46Å; L574-Q583 HydrophobicContact CD2-CB 4.15Å; L574-Q583 HydrophobicContact CG-CB 4.2Å; L574-Q583 PolarHBondContact O-N 2.94Å; N576-Q583 HydrophobicContact CB-CG 3.85Å; S581-Q583 PolarHBondContact OG-NE2 2.82Å
584	W	96.9	Very high	96.4	Very high	27 Å²	27	43.8 Å²	43.8	10%	0.102	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.3	165.9	57.4	-107	0	0	0	111.2	L564 V572 L574 L582 R586 L616 A618 K621	L564-W584 HydrophobicContact CD1-CH2 3.73Å; L564-W584 HydrophobicContact CD1-CZ2 4.17Å; V572-W584 HydrophobicContact CB-CZ3 4.31Å; V572-W584 HydrophobicContact CG1-CH2 3.93Å; V572-W584 HydrophobicContact CG1-CZ3 3.75Å; L574-W584 HydrophobicContact CB-CD2 3.87Å; L574-W584 HydrophobicContact CB-CE3 4.41Å; L574-W584 HydrophobicContact CB-CG 4.2Å; L574-W584 HydrophobicContact CB-CZ2 4.01Å; L574-W584 HydrophobicContact CD2-CZ2 4.38Å; L574-W584 VanDerWaalsContact CD2-NE1 3.29Å; L574-W584 PolarHBondContact N-O 3.38Å; L574-W584 PolarHBondContact O-N 2.93Å; L582-W584 WeakPolarHBondContact CD1-O 3.26Å; W584-R586 HydrophobicContact CE3-CB 4.26Å; W584-R586 HydrophobicContact CZ3-CB 4.03Å; W584-L616 HydrophobicContact CH2-CD1 4.04Å; W584-L616 HydrophobicContact CZ3-CD1 4.41Å; W584-A618 PolarHBondContact NE1-O 2.88Å; W584-K621 HydrophobicContact CB-CD 4.38Å; W584-K621 HydrophobicContact CD2-CB 3.72Å; W584-K621 HydrophobicContact CE3-CB 3.99Å; W584-K621 HydrophobicContact CG-CB 4.04Å; W584-K621 HydrophobicContact CZ2-CB 4.34Å; W584-K621 HydrophobicContact CZ3-CB 4.43Å
585	S	96.2	Very high	96.4	Very high	42 Å²	42	44 Å²	44	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.4	164.4	61.2	0	0	0	0	111.6	V572	V572-S585 CarbonylContact O-C 3.57Å; V572-S585 WeakPolarHBondContact O-CA 3.47Å; V572-S585 WeakPolarHBondContact O-CB 3.49Å
586	R	96	Very high	96.4	Very high	71 Å²	71	45.9 Å²	45.9	27%	0.268	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137	176.9	177.7	170.1	-176.7	158.4	3.2	110.2	V572 W584 K621 D622	V572-R586 PolarHBondContact N-O 3.48Å; V572-R586 PolarHBondContact O-N 3.39Å; W584-R586 HydrophobicContact CE3-CB 4.26Å; W584-R586 HydrophobicContact CZ3-CB 4.03Å; R586-K621 PolarHBondContact NH1-O 3.17Å; R586-D622 VanDerWaalsContact NH1-C 3.26Å
587	T	96.3	Very high	96.4	Very high	84 Å²	84	45 Å²	45	52%	0.515	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137	168.4	-43.1	0	0	0	0	109.6	Q570 M571	Q570-T587 HydrophobicContact CB-CG2 4.13Å; Q570-T587 CarbonylContact O-C 3.52Å; Q570-T587 WeakPolarHBondContact O-CA 3.33Å; M571-T587 HydrophobicContact SD-CG2 4.24Å; M571-T587 PolarHBondContact SD-OG1 2.96Å
588	L	94.9	Very high	96.5	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	24%	0.236	C	C	.	.			trans	-98.3	168.1	170.8	-65.9	-179.9	0	0	0	111.1	Q570 V572 E590 I606 F614	Q570-L588 PolarHBondContact O-N 3.45Å; V572-L588 HydrophobicContact CG2-CD1 3.53Å; V572-L588 HydrophobicContact CG2-CD2 4.34Å; V572-L588 HydrophobicContact CG2-CG 3.65Å; L588-E590 PolarHBondContact O-N 2.95Å; L588-I606 HydrophobicContact CD1-CD1 4.48Å; L588-I606 HydrophobicContact CD1-CG2 4Å; L588-F614 HydrophobicContact CD1-CD2 4.45Å; L588-F614 HydrophobicContact CD2-CD1 4.06Å; L588-F614 HydrophobicContact CD2-CE1 4.46Å; L588-F614 HydrophobicContact CD2-CG 4.26Å
589	E	93.8	Very high	96.6	Very high	129 Å²	129	43.1 Å²	43.1	60%	0.603	22%	0.223	S	C	*	.	S	Bend	trans	-71.4	-15.2	171.4	-59.6	175.4	163.4	0	0	112.7	R612 F614	E589-R612 IonicContact OE2-CZ 2.66Å; E589-R612 IonicContact OE2-NH1 3.6Å; E589-R612 PolarHBondContact OE2-NH1 3.14Å; E589-R612 VanDerWaalsContact OE2-NH1 3.15Å; E589-R612 IonicContact OE2-NH2 3.45Å; E589-R612 PolarHBondContact OE2-NH2 2.8Å; E589-F614 HydrophobicContact CB-CZ 4.48Å
590	E	95.2	Very high	96.7	Very high	40 Å²	40	42.7 Å²	42.7	19%	0.187	23%	0.225	C	C	.	.	S	Bend	trans	-145.4	163.1	-167.7	-73.8	-177.4	-163.9	0	0	112.3	L588 G592 T608 S610 R612	L588-E590 PolarHBondContact O-N 2.95Å; E590-G592 PolarHBondContact O-N 2.72Å; E590-T608 HydrophobicContact CB-CG2 3.93Å; E590-T608 WeakPolarHBondContact OE2-CB 3.42Å; E590-T608 PolarHBondContact OE2-OG1 3.22Å; E590-S610 WeakPolarHBondContact OE2-CB 3.42Å; E590-S610 PolarHBondContact OE2-OG 2.96Å; E590-R612 VanDerWaalsContact OE1-CD 3.22Å; E590-R612 WeakPolarHBondContact OE1-CD 3.49Å; E590-R612 IonicContact OE1-CZ 3.01Å; E590-R612 IonicContact OE1-NE 3.85Å; E590-R612 IonicContact OE1-NH1 2.79Å; E590-R612 PolarHBondContact OE1-NH1 2.89Å
591	H	95.6	Very high	96.8	Very high	81 Å²	81	41.7 Å²	41.7	38%	0.375	22%	0.221	S	C	.	.			trans	-67.9	119.9	178.4	-52.2	-64.1	0	0	0	111.6	Q568 T608	Q568-H591 HydrophobicContact CG-CB 4.4Å; Q568-H591 PolarHBondContact O-CE1 3.48Å; Q568-H591 PolarHBondContact O-ND1 2.75Å; H591-T608 VanDerWaalsContact O-CA 3.32Å; H591-T608 WeakPolarHBondContact O-CA 3.31Å; H591-T608 WeakPolarHBondContact O-CB 3.36Å; H591-T608 WeakPolarHBondContact O-CG2 3.34Å
592	G	96.4	Very high	96.9	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.8	174.9	0	0	0	0	0	111.5	A567 E590	A567-G592 CarbonylContact C-O 3.51Å; A567-G592 WeakPolarHBondContact CA-O 3.43Å; A567-G592 PolarHBondContact O-N 2.69Å; E590-G592 PolarHBondContact O-N 2.72Å
593	H	97.9	Very high	97.1	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.065	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-42	-176.7	-178.2	69.8	0	0	0	114.1	W552 G553 G607 H609 Q633 L634	W552-H593 CarbonylContact C-O 3.59Å; W552-H593 WeakPolarHBondContact CB-ND1 3.12Å; W552-H593 VanDerWaalsContact CB-O 3.29Å; W552-H593 WeakPolarHBondContact CB-O 3.42Å; W552-H593 AromaticContact CD2-CE1 3.44Å; W552-H593 VanDerWaalsContact CD2-CE1 3.44Å; W552-H593 AromaticContact CE3-CE1 3.64Å; W552-H593 AromaticContact CG-CE1 3.45Å; W552-H593 VanDerWaalsContact CG-CE1 3.45Å; W552-H593 AromaticContact CG-ND1 3.54Å; G553-H593 WeakPolarHBondContact CA-O 3.42Å; G553-H593 PolarHBondContact N-O 2.97Å; H593-G607 PolarHBondContact N-O 2.94Å; H593-H609 AromaticContact CG-CD2 3.84Å; H593-H609 AromaticContact CG-NE2 3.55Å; H593-H609 AromaticContact ND1-NE2 3.41Å; H593-H609 PolarHBondContact ND1-NE2 3.26Å; H593-Q633 PolarHBondContact CD2-NE2 2.84Å; H593-Q633 PolarHBondContact CE1-NE2 3.2Å; H593-Q633 PolarHBondContact NE2-NE2 3.3Å; H593-L634 PolarHBondContact CD2-O 3.43Å
594	C	98.3	Very high	97.2	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.068	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.9	174	64.1	0	0	0	0	110.5	I606 G607 L634 S635	C594-I606 CarbonylContact O-C 3.5Å; C594-I606 WeakPolarHBondContact O-CA 3.29Å; C594-G607 PolarHBondContact N-O 3Å; C594-G607 PolarHBondContact O-N 3.42Å; C594-L634 PolarHBondContact SG-O 3.3Å; C594-S635 WeakPolarHBondContact CB-O 3.14Å
595	A	98.5	Very high	97.3	Very high	11 Å²	11	33.3 Å²	33.3	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.7	178.5	0	0	0	0	0	111.6	A555 L564 V605 I606	A555-A595 HydrophobicContact CB-CB 4.07Å; L564-A595 HydrophobicContact CD2-CB 3.79Å; A595-V605 CarbonylContact C-O 3.57Å; A595-V605 WeakPolarHBondContact CA-O 3.19Å; A595-V605 WeakPolarHBondContact CB-O 3.33Å; A595-I606 HydrophobicContact CB-CG1 4.15Å
596	E	98.6	Very high	97.4	Very high	44 Å²	44	31.3 Å²	31.3	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.5	170	-174.3	160	103.1	0	0	112.9	V604 V605 L637 R638 F639	E596-V604 CarbonylContact O-C 3.5Å; E596-V604 WeakPolarHBondContact O-CA 3.41Å; E596-V604 WeakPolarHBondContact O-CG2 3.43Å; E596-V605 HydrophobicContact CB-CG2 4.22Å; E596-V605 PolarHBondContact N-O 2.8Å; E596-V605 WeakPolarHBondContact O-CG2 3.15Å; E596-V605 PolarHBondContact O-N 3.22Å; E596-L637 HydrophobicContact CB-CB 4.5Å; E596-R638 VanDerWaalsContact OE1-CA 3.3Å; E596-R638 WeakPolarHBondContact OE1-CA 3.03Å; E596-R638 WeakPolarHBondContact OE2-CD 3.23Å; E596-R638 IonicContact OE2-NE 3.62Å; E596-F639 HydrophobicContact CG-CD2 4.1Å; E596-F639 PolarHBondContact OE1-N 3.13Å
597	F	98.8	Very high	97.5	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.044	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.1	169.4	-74.8	-84.6	0	0	0	111.9	A555 T556 H557 L564 L574 V604 A618 F639	A555-F597 HydrophobicContact CB-CD2 3.75Å; A555-F597 HydrophobicContact CB-CE2 3.9Å; T556-F597 WeakPolarHBondContact O-CD2 3.43Å; H557-F597 HydrophobicContact CB-CD2 4.38Å; H557-F597 HydrophobicContact CB-CE2 4.2Å; H557-F597 HydrophobicContact CB-CZ 4.32Å; H557-F597 AromaticContact CD2-CD1 3.89Å; H557-F597 AromaticContact CD2-CE1 3.81Å; L564-F597 HydrophobicContact CB-CE2 3.87Å; L564-F597 HydrophobicContact CB-CZ 3.84Å; L564-F597 HydrophobicContact CD1-CZ 4.48Å; L574-F597 HydrophobicContact CD1-CZ 3.78Å; F597-V604 HydrophobicContact CD1-CB 4Å; F597-V604 HydrophobicContact CD1-CG2 4.41Å; F597-V604 HydrophobicContact CE1-CB 4Å; F597-V604 HydrophobicContact CE1-CG2 4.41Å; F597-V604 HydrophobicContact CG-CG2 4.5Å; F597-V604 HydrophobicContact CZ-CG2 4.5Å; F597-A618 HydrophobicContact CD1-CB 4.48Å; F597-A618 HydrophobicContact CE1-CB 4.08Å; F597-F639 WeakPolarHBondContact O-CD2 3.46Å
598	H	98.7	Very high	97.6	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.069	13%	0.131	C	C	.	.			trans	-60.7	142.1	164.3	175.2	-95.9	0	0	0	109.6	S600 G601 V603 F639 G643	H598-S600 PolarHBondContact CE1-OG 3.43Å; H598-S600 PolarHBondContact ND1-N 3.24Å; H598-S600 PolarHBondContact ND1-OG 2.82Å; H598-S600 PolarHBondContact O-N 3.2Å; H598-G601 WeakPolarHBondContact O-CA 3.42Å; H598-G601 PolarHBondContact O-N 2.88Å; H598-V603 HydrophobicContact CB-CG2 3.44Å; H598-V603 VanDerWaalsContact CB-CG2 3.44Å; H598-V603 PolarHBondContact N-O 3.01Å; H598-F639 VanDerWaalsContact CA-CE2 3.43Å; H598-F639 HydrophobicContact CB-CD2 4.34Å; H598-F639 HydrophobicContact CB-CE1 4.15Å; H598-F639 HydrophobicContact CB-CE2 3.84Å; H598-F639 HydrophobicContact CB-CZ 3.73Å; H598-F639 AromaticContact CD2-CD1 3.85Å; H598-F639 AromaticContact CD2-CE1 3.71Å; H598-F639 VanDerWaalsContact N-CE2 3.33Å; H598-G643 PolarHBondContact NE2-O 2.95Å
599	P	98.2	Very high	97.6	Very high	53 Å²	53	26.4 Å²	26.4	34%	0.344	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.6	-173.4	-31.2	37.4	0	0	0	116.9	P558 G601 F639 S640	P558-P599 WeakPolarHBondContact CG-O 3.34Å; P599-G601 VanDerWaalsContact C-N 3.27Å; P599-G601 PolarHBondContact O-N 3.12Å; P599-F639 HydrophobicContact CG-CB 4.26Å; P599-S640 WeakPolarHBondContact CG-O 3.4Å
600	S	97.8	Very high	97.7	Very high	53 Å²	53	22.3 Å²	22.3	37%	0.371	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.4	171	70.1	0	0	0	0	114.7	H598 A602	H598-S600 PolarHBondContact CE1-OG 3.43Å; H598-S600 PolarHBondContact ND1-N 3.24Å; H598-S600 PolarHBondContact ND1-OG 2.82Å; H598-S600 PolarHBondContact O-N 3.2Å; S600-A602 PolarHBondContact O-N 2.74Å; S600-A602 WeakPolarHBondContact OG-CB 3.39Å; S600-A602 PolarHBondContact OG-N 2.94Å
601	G	97.9	Very high	97.7	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.031	12%	0.118	C	C	.	.	S	Bend	trans	75.8	-11.2	-170	0	0	0	0	0	114.8	H557 H598 P599 V603 A618	H557-G601 VanDerWaalsContact NE2-CA 3.3Å; H557-G601 WeakPolarHBondContact NE2-CA 3.22Å; H557-G601 PolarHBondContact NE2-O 2.86Å; H598-G601 WeakPolarHBondContact O-CA 3.42Å; H598-G601 PolarHBondContact O-N 2.88Å; P599-G601 VanDerWaalsContact C-N 3.27Å; P599-G601 PolarHBondContact O-N 3.12Å; G601-V603 PolarHBondContact O-N 2.88Å; G601-A618 WeakPolarHBondContact O-CB 3.31Å
602	A	97.4	Very high	97.9	Very high	23 Å²	23	19.3 Å²	19.3	19%	0.19	11%	0.111	C	C	.	.	S	Bend	trans	-77.2	-14.3	-165.6	0	0	0	0	0	115.4	S600 A618 R665	S600-A602 PolarHBondContact O-N 2.74Å; S600-A602 WeakPolarHBondContact OG-CB 3.39Å; S600-A602 PolarHBondContact OG-N 2.94Å; A602-A618 PolarHBondContact O-N 3.35Å; A602-R665 PolarHBondContact O-NH2 2.99Å
603	V	98.5	Very high	98	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	160.4	172.4	-61.4	0	0	0	0	110.5	H598 G601 V615 L616 V624 G664 R665	H598-V603 HydrophobicContact CB-CG2 3.44Å; H598-V603 VanDerWaalsContact CB-CG2 3.44Å; H598-V603 PolarHBondContact N-O 3.01Å; G601-V603 PolarHBondContact O-N 2.88Å; V603-V615 HydrophobicContact CB-CG1 4.17Å; V603-V615 HydrophobicContact CG1-CG1 4.4Å; V603-V615 HydrophobicContact CG2-CG1 4.37Å; V603-L616 VanDerWaalsContact CA-O 3.27Å; V603-L616 WeakPolarHBondContact CA-O 3.46Å; V603-L616 WeakPolarHBondContact CB-O 3.47Å; V603-V624 HydrophobicContact CG1-CG2 4.43Å; V603-G664 WeakPolarHBondContact CG2-O 3.44Å; V603-R665 HydrophobicContact CG1-CG 3.95Å
604	V	98.6	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.4	168.6	63.9	0	0	0	0	109.8	L564 E596 F597 I606 L616	L564-V604 HydrophobicContact CD1-CB 4.34Å; L564-V604 HydrophobicContact CD1-CG1 3.82Å; L564-V604 HydrophobicContact CD1-CG2 4.01Å; L564-V604 HydrophobicContact CD2-CG2 4.04Å; E596-V604 CarbonylContact O-C 3.5Å; E596-V604 WeakPolarHBondContact O-CA 3.41Å; E596-V604 WeakPolarHBondContact O-CG2 3.43Å; F597-V604 HydrophobicContact CD1-CB 4Å; F597-V604 HydrophobicContact CD1-CG2 4.41Å; F597-V604 HydrophobicContact CE1-CB 4Å; F597-V604 HydrophobicContact CE1-CG2 4.41Å; F597-V604 HydrophobicContact CG-CG2 4.5Å; F597-V604 HydrophobicContact CZ-CG2 4.5Å; V604-I606 HydrophobicContact CG2-CG1 4.41Å; V604-L616 HydrophobicContact CG1-CB 3.86Å; V604-L616 PolarHBondContact N-O 2.65Å; V604-L616 PolarHBondContact O-N 2.69Å
605	V	98.8	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.4	171.7	-64.3	0	0	0	0	110.2	A595 E596 W613 F614 V615 L637 F639 L646 Y667	A595-V605 CarbonylContact C-O 3.57Å; A595-V605 WeakPolarHBondContact CA-O 3.19Å; A595-V605 WeakPolarHBondContact CB-O 3.33Å; E596-V605 HydrophobicContact CB-CG2 4.22Å; E596-V605 PolarHBondContact N-O 2.8Å; E596-V605 WeakPolarHBondContact O-CG2 3.15Å; E596-V605 PolarHBondContact O-N 3.22Å; V605-W613 HydrophobicContact CG1-CE3 4.38Å; V605-W613 HydrophobicContact CG1-CZ3 4.3Å; V605-F614 CarbonylContact C-O 3.58Å; V605-F614 VanDerWaalsContact CA-O 3.31Å; V605-F614 WeakPolarHBondContact CA-O 3.37Å; V605-V615 HydrophobicContact CG1-CG1 4.27Å; V605-V615 HydrophobicContact CG1-CG2 4.22Å; V605-L637 HydrophobicContact CB-CD1 3.99Å; V605-L637 HydrophobicContact CG2-CB 4.01Å; V605-L637 HydrophobicContact CG2-CD1 3.69Å; V605-L637 HydrophobicContact CG2-CG 4.36Å; V605-F639 HydrophobicContact CG1-CE2 4.13Å; V605-F639 HydrophobicContact CG1-CZ 3.7Å; V605-F639 HydrophobicContact CG2-CE2 3.66Å; V605-F639 HydrophobicContact CG2-CZ 4.05Å; V605-L646 HydrophobicContact CG1-CD2 4.21Å; V605-L646 HydrophobicContact CG2-CD1 4.26Å; V605-L646 HydrophobicContact CG2-CD2 4.49Å; V605-Y667 WeakPolarHBondContact CG1-OH 3.22Å
606	I	98.8	Very high	98	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	122.1	-174	-55.3	178.3	0	0	0	109.4	L564 C566 V572 L588 C594 A595 V604 W613 F614 L616	L564-I606 HydrophobicContact CD2-CD1 4.4Å; C566-I606 HydrophobicContact CB-CG2 4.33Å; V572-I606 HydrophobicContact CB-CD1 4.2Å; V572-I606 HydrophobicContact CG1-CD1 3.51Å; V572-I606 HydrophobicContact CG2-CD1 3.57Å; L588-I606 HydrophobicContact CD1-CD1 4.48Å; L588-I606 HydrophobicContact CD1-CG2 4Å; C594-I606 CarbonylContact O-C 3.5Å; C594-I606 WeakPolarHBondContact O-CA 3.29Å; A595-I606 HydrophobicContact CB-CG1 4.15Å; V604-I606 HydrophobicContact CG2-CG1 4.41Å; I606-W613 CarbonylContact O-C 3.56Å; I606-W613 WeakPolarHBondContact O-CA 3.44Å; I606-W613 WeakPolarHBondContact O-CB 3.26Å; I606-F614 PolarHBondContact N-O 2.94Å; I606-F614 PolarHBondContact O-N 2.68Å; I606-L616 HydrophobicContact CD1-CD1 3.81Å; I606-L616 HydrophobicContact CD1-CG 4.42Å
607	G	98.4	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.5	-179.2	0	0	0	0	0	112.3	H593 C594	H593-G607 PolarHBondContact N-O 2.94Å; C594-G607 PolarHBondContact N-O 3Å; C594-G607 PolarHBondContact O-N 3.42Å
608	T	98.1	Very high	97.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	177.9	-176.7	76.1	0	0	0	0	112.6	E590 H591 S610 R612 F614 L634	E590-T608 HydrophobicContact CB-CG2 3.93Å; E590-T608 WeakPolarHBondContact OE2-CB 3.42Å; E590-T608 PolarHBondContact OE2-OG1 3.22Å; H591-T608 VanDerWaalsContact O-CA 3.32Å; H591-T608 WeakPolarHBondContact O-CA 3.31Å; H591-T608 WeakPolarHBondContact O-CB 3.36Å; H591-T608 WeakPolarHBondContact O-CG2 3.34Å; T608-S610 VanDerWaalsContact C-N 3.25Å; T608-S610 PolarHBondContact O-N 2.94Å; T608-S610 PolarHBondContact OG1-N 2.99Å; T608-S610 PolarHBondContact OG1-OG 3.05Å; T608-R612 PolarHBondContact N-O 3.34Å; T608-R612 PolarHBondContact OG1-O 3.33Å; T608-F614 HydrophobicContact CG2-CD2 3.95Å; T608-F614 HydrophobicContact CG2-CE2 3.71Å; T608-L634 PolarHBondContact O-N 2.89Å
609	H	95.3	Very high	97.6	Very high	65 Å²	65	22.8 Å²	22.8	30%	0.301	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.9	176.1	-68.7	176.2	0	0	0	114.5	H593 E632 Q633	H593-H609 AromaticContact CG-CD2 3.84Å; H593-H609 AromaticContact CG-NE2 3.55Å; H593-H609 AromaticContact ND1-NE2 3.41Å; H593-H609 PolarHBondContact ND1-NE2 3.26Å; H609-E632 CarbonylContact O-C 3.56Å; H609-Q633 PolarHBondContact O-N 2.83Å
610	S	95.8	Very high	97.5	Very high	43 Å²	43	22.7 Å²	22.7	30%	0.301	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.6	-174	70.9	0	0	0	0	115.1	E590 T608 R612 N631	E590-S610 WeakPolarHBondContact OE2-CB 3.42Å; E590-S610 PolarHBondContact OE2-OG 2.96Å; T608-S610 VanDerWaalsContact C-N 3.25Å; T608-S610 PolarHBondContact O-N 2.94Å; T608-S610 PolarHBondContact OG1-N 2.99Å; T608-S610 PolarHBondContact OG1-OG 3.05Å; S610-R612 VanDerWaalsContact C-N 3.32Å; S610-R612 WeakPolarHBondContact OG-CB 3.39Å; S610-R612 PolarHBondContact OG-N 3.27Å; S610-R612 VanDerWaalsContact OG-N 3.12Å; S610-N631 CarbonylContact O-C 3.3Å; S610-N631 WeakPolarHBondContact O-CA 3.12Å
611	G	96.4	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	87.2	-4.8	-164.4	0	0	0	0	0	113.6	S628 D629 E632	G611-S628 WeakPolarHBondContact O-CA 3.5Å; G611-D629 VanDerWaalsContact CA-O 3.31Å; G611-D629 WeakPolarHBondContact CA-O 3.37Å; G611-D629 PolarHBondContact O-N 2.88Å; G611-E632 VanDerWaalsContact CA-O 3.23Å; G611-E632 WeakPolarHBondContact CA-O 3.29Å; G611-E632 PolarHBondContact N-O 2.71Å
612	R	97.9	Very high	97.4	Very high	58 Å²	58	29.8 Å²	29.8	22%	0.219	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	148.8	171	-70.6	170.9	75.3	-160.8	6	111.6	E589 E590 T608 S610 F614 H627 L634	E589-R612 IonicContact OE2-CZ 2.66Å; E589-R612 IonicContact OE2-NH1 3.6Å; E589-R612 PolarHBondContact OE2-NH1 3.14Å; E589-R612 VanDerWaalsContact OE2-NH1 3.15Å; E589-R612 IonicContact OE2-NH2 3.45Å; E589-R612 PolarHBondContact OE2-NH2 2.8Å; E590-R612 VanDerWaalsContact OE1-CD 3.22Å; E590-R612 WeakPolarHBondContact OE1-CD 3.49Å; E590-R612 IonicContact OE1-CZ 3.01Å; E590-R612 IonicContact OE1-NE 3.85Å; E590-R612 IonicContact OE1-NH1 2.79Å; E590-R612 PolarHBondContact OE1-NH1 2.89Å; T608-R612 PolarHBondContact N-O 3.34Å; T608-R612 PolarHBondContact OG1-O 3.33Å; S610-R612 VanDerWaalsContact C-N 3.32Å; S610-R612 WeakPolarHBondContact OG-CB 3.39Å; S610-R612 PolarHBondContact OG-N 3.27Å; S610-R612 VanDerWaalsContact OG-N 3.12Å; R612-F614 HydrophobicContact CB-CE2 4.38Å; R612-H627 VanDerWaalsContact CA-O 3.31Å; R612-H627 WeakPolarHBondContact CA-O 3.29Å; R612-L634 WeakPolarHBondContact O-CD1 3.37Å
613	W	98.5	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.7	166.1	54.2	-81	0	0	0	111.5	V605 I606 V615 I626 H627 D629 L634 L646 Y658 Y667	V605-W613 HydrophobicContact CG1-CE3 4.38Å; V605-W613 HydrophobicContact CG1-CZ3 4.3Å; I606-W613 CarbonylContact O-C 3.56Å; I606-W613 WeakPolarHBondContact O-CA 3.44Å; I606-W613 WeakPolarHBondContact O-CB 3.26Å; W613-V615 HydrophobicContact CE3-CG2 4.03Å; W613-V615 HydrophobicContact CZ3-CG2 3.68Å; W613-I626 WeakPolarHBondContact O-CA 3.15Å; W613-H627 HydrophobicContact CD2-CB 3.78Å; W613-H627 AromaticContact CE2-CG 3.98Å; W613-H627 HydrophobicContact CE3-CB 4.28Å; W613-H627 HydrophobicContact CG-CB 4.28Å; W613-H627 HydrophobicContact CH2-CB 3.97Å; W613-H627 AromaticContact CH2-CD2 3.34Å; W613-H627 WeakPolarHBondContact CH2-CD2 3.37Å; W613-H627 AromaticContact CH2-CG 3.67Å; W613-H627 HydrophobicContact CZ2-CB 3.42Å; W613-H627 VanDerWaalsContact CZ2-CB 3.42Å; W613-H627 AromaticContact CZ2-CD2 3.77Å; W613-H627 AromaticContact CZ2-CG 3.59Å; W613-H627 HydrophobicContact CZ3-CB 4.37Å; W613-H627 AromaticContact CZ3-CD2 3.51Å; W613-H627 PolarHBondContact N-O 3.43Å; W613-H627 PolarHBondContact O-N 2.9Å; W613-D629 PolarHBondContact NE1-OD2 3.02Å; W613-L634 HydrophobicContact CB-CD1 3.83Å; W613-L634 HydrophobicContact CG-CD1 4.13Å; W613-L646 HydrophobicContact CE3-CD2 4.14Å; W613-L646 HydrophobicContact CH2-CD2 3.72Å; W613-L646 HydrophobicContact CZ2-CD2 4.27Å; W613-L646 HydrophobicContact CZ3-CD2 3.63Å; W613-Y658 HydrophobicContact CH2-CD2 4.47Å; W613-Y658 HydrophobicContact CH2-CG 4.42Å; W613-Y658 HydrophobicContact CZ2-CD1 4.24Å; W613-Y658 AromaticContact CZ2-CD2 3.77Å; W613-Y658 HydrophobicContact CZ2-CD2 3.77Å; W613-Y658 HydrophobicContact CZ2-CE1 4.12Å; W613-Y658 AromaticContact CZ2-CE2 3.63Å; W613-Y658 HydrophobicContact CZ2-CE2 3.63Å; W613-Y658 HydrophobicContact CZ2-CG 4.08Å; W613-Y658 AromaticContact CZ2-CZ 3.81Å; W613-Y667 AromaticContact CH2-CD1 3.55Å; W613-Y667 HydrophobicContact CH2-CD1 3.55Å; W613-Y667 HydrophobicContact CH2-CD2 4.31Å; W613-Y667 AromaticContact CH2-CE1 3.99Å; W613-Y667 HydrophobicContact CH2-CE1 3.99Å; W613-Y667 AromaticContact CH2-CG 3.74Å; W613-Y667 HydrophobicContact CH2-CG 3.74Å; W613-Y667 AromaticContact CZ3-CD1 3.97Å; W613-Y667 HydrophobicContact CZ3-CD1 3.97Å; W613-Y667 HydrophobicContact CZ3-CD2 4.36Å; W613-Y667 AromaticContact CZ3-CE1 3.94Å; W613-Y667 HydrophobicContact CZ3-CE1 3.94Å; W613-Y667 HydrophobicContact CZ3-CE2 4.37Å; W613-Y667 HydrophobicContact CZ3-CG 4.19Å
614	F	98.5	Very high	97.3	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.022	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.1	-175.6	-65.2	-105.9	0	0	0	109.4	L588 E589 V605 I606 T608 R612 L623 I626	L588-F614 HydrophobicContact CD1-CD2 4.45Å; L588-F614 HydrophobicContact CD2-CD1 4.06Å; L588-F614 HydrophobicContact CD2-CE1 4.46Å; L588-F614 HydrophobicContact CD2-CG 4.26Å; E589-F614 HydrophobicContact CB-CZ 4.48Å; V605-F614 CarbonylContact C-O 3.58Å; V605-F614 VanDerWaalsContact CA-O 3.31Å; V605-F614 WeakPolarHBondContact CA-O 3.37Å; I606-F614 PolarHBondContact N-O 2.94Å; I606-F614 PolarHBondContact O-N 2.68Å; T608-F614 HydrophobicContact CG2-CD2 3.95Å; T608-F614 HydrophobicContact CG2-CE2 3.71Å; R612-F614 HydrophobicContact CB-CE2 4.38Å; F614-L623 HydrophobicContact CD1-CD1 4.08Å; F614-I626 HydrophobicContact CD1-CD1 3.84Å; F614-I626 HydrophobicContact CD1-CG1 3.73Å; F614-I626 HydrophobicContact CD1-CG2 4.4Å; F614-I626 HydrophobicContact CE1-CD1 3.53Å; F614-I626 HydrophobicContact CE1-CG1 3.94Å; F614-I626 HydrophobicContact CE1-CG2 4.34Å; F614-I626 HydrophobicContact CG-CG1 4.48Å; F614-I626 HydrophobicContact CZ-CD1 4.4Å; F614-I626 HydrophobicContact CZ-CG2 4.47Å
615	V	98.6	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.9	171.8	-167.1	0	0	0	0	107.8	V603 V605 W613 V624 G625 Y667	V603-V615 HydrophobicContact CB-CG1 4.17Å; V603-V615 HydrophobicContact CG1-CG1 4.4Å; V603-V615 HydrophobicContact CG2-CG1 4.37Å; V605-V615 HydrophobicContact CG1-CG1 4.27Å; V605-V615 HydrophobicContact CG1-CG2 4.22Å; W613-V615 HydrophobicContact CE3-CG2 4.03Å; W613-V615 HydrophobicContact CZ3-CG2 3.68Å; V615-V624 HydrophobicContact CB-CB 4.02Å; V615-V624 HydrophobicContact CB-CG1 4.32Å; V615-V624 HydrophobicContact CG1-CB 3.88Å; V615-V624 HydrophobicContact CG1-CG1 3.93Å; V615-V624 PolarHBondContact O-N 3.06Å; V615-G625 PolarHBondContact N-O 3.37Å; V615-G625 PolarHBondContact O-N 2.73Å; V615-Y667 HydrophobicContact CB-CE2 4.33Å; V615-Y667 HydrophobicContact CG1-CE2 3.88Å; V615-Y667 HydrophobicContact CG2-CD2 4.18Å; V615-Y667 HydrophobicContact CG2-CE2 3.6Å
616	L	98.5	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.5	176.5	-57.4	-178.9	0	0	0	111.1	V572 W584 V603 V604 I606 D622 L623	V572-L616 HydrophobicContact CG1-CD1 4.3Å; W584-L616 HydrophobicContact CH2-CD1 4.04Å; W584-L616 HydrophobicContact CZ3-CD1 4.41Å; V603-L616 VanDerWaalsContact CA-O 3.27Å; V603-L616 WeakPolarHBondContact CA-O 3.46Å; V603-L616 WeakPolarHBondContact CB-O 3.47Å; V604-L616 HydrophobicContact CG1-CB 3.86Å; V604-L616 PolarHBondContact N-O 2.65Å; V604-L616 PolarHBondContact O-N 2.69Å; I606-L616 HydrophobicContact CD1-CD1 3.81Å; I606-L616 HydrophobicContact CD1-CG 4.42Å; L616-D622 CarbonylContact C-O 3.6Å; L616-D622 VanDerWaalsContact CA-O 3.26Å; L616-D622 WeakPolarHBondContact CA-O 3.28Å; L616-L623 HydrophobicContact CD2-CD1 4Å
617	D	97.9	Very high	97.2	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.139	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	130	164.3	-165.7	-68	0	0	0	109	E619 S620 K621 D622 V624 R665	D617-E619 VanDerWaalsContact C-N 3.28Å; D617-E619 PolarHBondContact O-N 3.4Å; D617-E619 PolarHBondContact OD1-N 2.85Å; D617-S620 WeakPolarHBondContact CB-OG 3.19Å; D617-S620 PolarHBondContact OD1-N 3.26Å; D617-K621 VanDerWaalsContact O-CA 3.28Å; D617-K621 WeakPolarHBondContact O-CA 3.17Å; D617-K621 PolarHBondContact O-N 3.13Å; D617-D622 HydrophobicContact CB-CB 4.44Å; D617-D622 PolarHBondContact N-O 2.7Å; D617-V624 HydrophobicContact CB-CG2 4.13Å; D617-R665 IonicContact OD1-NH2 3.26Å; D617-R665 IonicContact OD2-CZ 3.03Å; D617-R665 IonicContact OD2-NE 3.78Å; D617-R665 IonicContact OD2-NH2 2.74Å; D617-R665 PolarHBondContact OD2-NH2 2.86Å
618	A	96.4	Very high	97.1	Very high	7 Å²	7	44.1 Å²	44.1	6%	0.058	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.2	-175.3	0	0	0	0	0	113.1	W584 F597 G601 A602	W584-A618 PolarHBondContact NE1-O 2.88Å; F597-A618 HydrophobicContact CD1-CB 4.48Å; F597-A618 HydrophobicContact CE1-CB 4.08Å; G601-A618 WeakPolarHBondContact O-CB 3.31Å; A602-A618 PolarHBondContact O-N 3.35Å
619	E	94.4	Very high	97	Very high	143 Å²	143	44.2 Å²	44.2	67%	0.668	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-45	-173.3	-168	157.1	157	0	0	111.4	R560 D617 K621	R560-E619 IonicContact NH1-OE2 2.76Å; R560-E619 IonicContact NH2-OE2 2.88Å; R560-E619 PolarHBondContact NH2-OE2 3.05Å; D617-E619 VanDerWaalsContact C-N 3.28Å; D617-E619 PolarHBondContact O-N 3.4Å; D617-E619 PolarHBondContact OD1-N 2.85Å; E619-K621 VanDerWaalsContact C-N 3.35Å
620	S	95.4	Very high	96.8	Very high	51 Å²	51	42.9 Å²	42.9	36%	0.357	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.2	177.6	86.5	0	0	0	0	114.5	D617 D622	D617-S620 WeakPolarHBondContact CB-OG 3.19Å; D617-S620 PolarHBondContact OD1-N 3.26Å; S620-D622 VanDerWaalsContact CB-OD2 3.29Å; S620-D622 WeakPolarHBondContact CB-OD2 3.13Å; S620-D622 PolarHBondContact O-N 3.3Å; S620-D622 WeakPolarHBondContact OG-CB 3.25Å; S620-D622 VanDerWaalsContact OG-CG 3.3Å; S620-D622 PolarHBondContact OG-N 2.73Å; S620-D622 PolarHBondContact OG-OD2 3.47Å
621	K	95.9	Very high	96.8	Very high	106 Å²	106	46.8 Å²	46.8	46%	0.461	26%	0.258	S	S	.	.			trans	53.1	8.8	-173.1	66.7	168.6	179.1	-169.6	0	115.6	W584 R586 D617 E619	W584-K621 HydrophobicContact CB-CD 4.38Å; W584-K621 HydrophobicContact CD2-CB 3.72Å; W584-K621 HydrophobicContact CE3-CB 3.99Å; W584-K621 HydrophobicContact CG-CB 4.04Å; W584-K621 HydrophobicContact CZ2-CB 4.34Å; W584-K621 HydrophobicContact CZ3-CB 4.43Å; R586-K621 PolarHBondContact NH1-O 3.17Å; D617-K621 VanDerWaalsContact O-CA 3.28Å; D617-K621 WeakPolarHBondContact O-CA 3.17Å; D617-K621 PolarHBondContact O-N 3.13Å; E619-K621 VanDerWaalsContact C-N 3.35Å
622	D	96.5	Very high	96.8	Very high	98 Å²	98	51 Å²	51	52%	0.524	28%	0.278	S	S	.	.			trans	-71.5	161.6	-175.3	-73.3	-52.7	0	0	0	113	R586 L616 D617 S620	R586-D622 VanDerWaalsContact NH1-C 3.26Å; L616-D622 CarbonylContact C-O 3.6Å; L616-D622 VanDerWaalsContact CA-O 3.26Å; L616-D622 WeakPolarHBondContact CA-O 3.28Å; D617-D622 HydrophobicContact CB-CB 4.44Å; D617-D622 PolarHBondContact N-O 2.7Å; S620-D622 VanDerWaalsContact CB-OD2 3.29Å; S620-D622 WeakPolarHBondContact CB-OD2 3.13Å; S620-D622 PolarHBondContact O-N 3.3Å; S620-D622 WeakPolarHBondContact OG-CB 3.25Å; S620-D622 VanDerWaalsContact OG-CG 3.3Å; S620-D622 PolarHBondContact OG-N 2.73Å; S620-D622 PolarHBondContact OG-OD2 3.47Å
623	L	97.8	Very high	96.8	Very high	76 Å²	76	50.6 Å²	50.6	40%	0.398	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.8	176.7	-179.9	67.5	0	0	0	109.3	F614 L616 G625 I626	F614-L623 HydrophobicContact CD1-CD1 4.08Å; L616-L623 HydrophobicContact CD2-CD1 4Å; L623-G625 WeakPolarHBondContact CD1-O 3.44Å; L623-I626 HydrophobicContact CD1-CD1 4.42Å; L623-I626 HydrophobicContact CD1-CG1 3.87Å; L623-I626 HydrophobicContact CD2-CD1 3.88Å; L623-I626 HydrophobicContact CD2-CG1 3.99Å; L623-I626 HydrophobicContact CG-CG1 4.38Å
624	V	97.9	Very high	96.8	Very high	47 Å²	47	50.6 Å²	50.6	29%	0.285	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-35.6	178.9	173	0	0	0	0	111	V603 V615 D617 R665	V603-V624 HydrophobicContact CG1-CG2 4.43Å; V615-V624 HydrophobicContact CB-CB 4.02Å; V615-V624 HydrophobicContact CB-CG1 4.32Å; V615-V624 HydrophobicContact CG1-CB 3.88Å; V615-V624 HydrophobicContact CG1-CG1 3.93Å; V615-V624 PolarHBondContact O-N 3.06Å; D617-V624 HydrophobicContact CB-CG2 4.13Å; V624-R665 HydrophobicContact CG1-CB 3.94Å; V624-R665 HydrophobicContact CG1-CG 3.86Å; V624-R665 HydrophobicContact CG2-CG 4.47Å
625	G	97.1	Very high	96.7	Very high	19 Å²	19	51.3 Å²	51.3	20%	0.196	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	164.9	178.3	0	0	0	0	0	113.7	V615 L623	V615-G625 PolarHBondContact N-O 3.37Å; V615-G625 PolarHBondContact O-N 2.73Å; L623-G625 WeakPolarHBondContact CD1-O 3.44Å
626	I	97.9	Very high	96.7	Very high	60 Å²	60	52 Å²	52	31%	0.308	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.4	169.4	-51	176.2	0	0	0	107.7	W613 F614 L623	W613-I626 WeakPolarHBondContact O-CA 3.15Å; F614-I626 HydrophobicContact CD1-CD1 3.84Å; F614-I626 HydrophobicContact CD1-CG1 3.73Å; F614-I626 HydrophobicContact CD1-CG2 4.4Å; F614-I626 HydrophobicContact CE1-CD1 3.53Å; F614-I626 HydrophobicContact CE1-CG1 3.94Å; F614-I626 HydrophobicContact CE1-CG2 4.34Å; F614-I626 HydrophobicContact CG-CG1 4.48Å; F614-I626 HydrophobicContact CZ-CD1 4.4Å; F614-I626 HydrophobicContact CZ-CG2 4.47Å; L623-I626 HydrophobicContact CD1-CD1 4.42Å; L623-I626 HydrophobicContact CD1-CG1 3.87Å; L623-I626 HydrophobicContact CD2-CD1 3.88Å; L623-I626 HydrophobicContact CD2-CG1 3.99Å; L623-I626 HydrophobicContact CG-CG1 4.38Å
627	H	98.1	Very high	96.7	Very high	51 Å²	51	52.2 Å²	52.2	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	167.1	177.4	-64.3	-81.4	0	0	0	109.8	R612 W613 Y667	R612-H627 VanDerWaalsContact CA-O 3.31Å; R612-H627 WeakPolarHBondContact CA-O 3.29Å; W613-H627 HydrophobicContact CD2-CB 3.78Å; W613-H627 AromaticContact CE2-CG 3.98Å; W613-H627 HydrophobicContact CE3-CB 4.28Å; W613-H627 HydrophobicContact CG-CB 4.28Å; W613-H627 HydrophobicContact CH2-CB 3.97Å; W613-H627 AromaticContact CH2-CD2 3.34Å; W613-H627 WeakPolarHBondContact CH2-CD2 3.37Å; W613-H627 AromaticContact CH2-CG 3.67Å; W613-H627 HydrophobicContact CZ2-CB 3.42Å; W613-H627 VanDerWaalsContact CZ2-CB 3.42Å; W613-H627 AromaticContact CZ2-CD2 3.77Å; W613-H627 AromaticContact CZ2-CG 3.59Å; W613-H627 HydrophobicContact CZ3-CB 4.37Å; W613-H627 AromaticContact CZ3-CD2 3.51Å; W613-H627 PolarHBondContact N-O 3.43Å; W613-H627 PolarHBondContact O-N 2.9Å; H627-Y667 AromaticContact NE2-CD2 3.78Å
628	S	97.3	Very high	96.7	Very high	71 Å²	71	52.2 Å²	52.2	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.1	-179.5	-157.6	0	0	0	0	110.6	G611	G611-S628 WeakPolarHBondContact O-CA 3.5Å
629	D	94.7	Very high	96.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.011	29%	0.287	C	S	.	.			trans	-143.5	115.1	-172.8	-83.5	-67.6	0	0	0	109.8	G611 W613 Y656 Y658 R669	G611-D629 VanDerWaalsContact CA-O 3.31Å; G611-D629 WeakPolarHBondContact CA-O 3.37Å; G611-D629 PolarHBondContact O-N 2.88Å; W613-D629 PolarHBondContact NE1-OD2 3.02Å; D629-Y656 HydrophobicContact CB-CD2 3.6Å; D629-Y656 HydrophobicContact CB-CE2 3.87Å; D629-Y656 HydrophobicContact CB-CG 4.14Å; D629-Y658 VanDerWaalsContact CG-OH 3.28Å; D629-Y658 PolarHBondContact OD1-OH 2.9Å; D629-Y658 WeakPolarHBondContact OD2-CE2 3.31Å; D629-Y658 VanDerWaalsContact OD2-CZ 3.25Å; D629-Y658 PolarHBondContact OD2-OH 3.17Å; D629-R669 IonicContact OD1-CZ 3.77Å; D629-R669 IonicContact OD1-NH1 3.02Å; D629-R669 PolarHBondContact OD1-NH1 3.28Å; D629-R669 IonicContact OD1-NH2 2.9Å; D629-R669 PolarHBondContact OD1-NH2 2.76Å
630	G	91.9	Very high	97	Very high	37 Å²	37	45.5 Å²	45.5	38%	0.381	26%	0.255	S	S	.	.	S	Bend	trans	70	-152.1	-170.3	0	0	0	0	0	112.5	D652	G630-D652 WeakPolarHBondContact CA-OD2 3.41Å
631	N	94.6	Very high	97.1	Very high	125 Å²	125	46.9 Å²	46.9	67%	0.668	26%	0.261	S	S	*	.	S	Bend	trans	-147.5	23.3	175.9	65.6	-96.2	0	0	0	111	S610	S610-N631 CarbonylContact O-C 3.3Å; S610-N631 WeakPolarHBondContact O-CA 3.12Å
632	E	97.3	Very high	97.2	Very high	89 Å²	89	46.2 Å²	46.2	42%	0.416	26%	0.263	S	S	.	.	S	Bend	trans	-131.2	162.5	-167.1	-74.2	-72.5	175.4	0	0	108.9	H609 G611 L634 H651 D652	H609-E632 CarbonylContact O-C 3.56Å; G611-E632 VanDerWaalsContact CA-O 3.23Å; G611-E632 WeakPolarHBondContact CA-O 3.29Å; G611-E632 PolarHBondContact N-O 2.71Å; E632-L634 PolarHBondContact O-N 3.2Å; E632-H651 HydrophobicContact CB-CB 4Å; E632-D652 HydrophobicContact CB-CB 4.21Å; E632-D652 HydrophobicContact CG-CB 4.13Å
633	Q	97.6	Very high	97.3	Very high	50 Å²	50	41.7 Å²	41.7	23%	0.234	24%	0.239	C	C	.	.			trans	-57.9	128.8	-175.9	165.1	177.4	-0.2	0	0	113.3	H593 H609 S635 H651	H593-Q633 PolarHBondContact CD2-NE2 2.84Å; H593-Q633 PolarHBondContact CE1-NE2 3.2Å; H593-Q633 PolarHBondContact NE2-NE2 3.3Å; H609-Q633 PolarHBondContact O-N 2.83Å; Q633-S635 PolarHBondContact O-N 2.81Å; Q633-H651 HydrophobicContact CB-CB 4.25Å; Q633-H651 WeakPolarHBondContact O-CB 3.08Å; Q633-H651 PolarHBondContact O-CD2 3.24Å; Q633-H651 PolarHBondContact O-N 3.28Å; Q633-H651 PolarHBondContact OE1-CE1 3.18Å; Q633-H651 VanDerWaalsContact OE1-CE1 3.3Å
634	L	98.4	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	107.6	170.8	-56.2	-173.5	0	0	0	109.3	H593 C594 T608 R612 W613 E632 V648 G649	H593-L634 PolarHBondContact CD2-O 3.43Å; C594-L634 PolarHBondContact SG-O 3.3Å; T608-L634 PolarHBondContact O-N 2.89Å; R612-L634 WeakPolarHBondContact O-CD1 3.37Å; W613-L634 HydrophobicContact CB-CD1 3.83Å; W613-L634 HydrophobicContact CG-CD1 4.13Å; E632-L634 PolarHBondContact O-N 3.2Å; L634-V648 HydrophobicContact CD1-CG1 3.9Å; L634-V648 HydrophobicContact CD2-CG1 3.84Å; L634-V648 HydrophobicContact CG-CG1 4.37Å; L634-G649 WeakPolarHBondContact CA-O 3.1Å
635	S	96.9	Very high	97.3	Very high	19 Å²	19	39.3 Å²	39.3	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-32.4	-175.6	51.6	0	0	0	0	113.5	C594 Q633 G649 I680	C594-S635 WeakPolarHBondContact CB-O 3.14Å; Q633-S635 PolarHBondContact O-N 2.81Å; S635-G649 PolarHBondContact N-O 3.43Å; S635-G649 VanDerWaalsContact N-O 3.07Å; S635-G649 PolarHBondContact OG-O 2.78Å; S635-I680 WeakPolarHBondContact CB-O 3.32Å; S635-I680 PolarHBondContact OG-O 3.19Å
636	V	98.1	Very high	97.4	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	134.1	-174.6	54.8	0	0	0	0	112	R638 G649 I680 L683	V636-R638 HydrophobicContact CG2-CG 4.07Å; V636-G649 PolarHBondContact O-N 3.25Å; V636-I680 HydrophobicContact CG1-CG2 4.03Å; V636-L683 HydrophobicContact CG1-CD1 3.89Å; V636-L683 HydrophobicContact CG1-CG 3.72Å; V636-L683 HydrophobicContact CG2-CB 4.41Å; V636-L683 HydrophobicContact CG2-CD1 4.47Å; V636-L683 HydrophobicContact CG2-CG 4.4Å
637	L	98.5	Very high	97.4	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.9	168	-65.9	170.5	0	0	0	108	E596 V605 L646 A647 V648	E596-L637 HydrophobicContact CB-CB 4.5Å; V605-L637 HydrophobicContact CB-CD1 3.99Å; V605-L637 HydrophobicContact CG2-CB 4.01Å; V605-L637 HydrophobicContact CG2-CD1 3.69Å; V605-L637 HydrophobicContact CG2-CG 4.36Å; L637-L646 HydrophobicContact CB-CD1 4.37Å; L637-A647 CarbonylContact C-O 3.41Å; L637-V648 HydrophobicContact CD2-CB 4.02Å; L637-V648 HydrophobicContact CD2-CG1 3.76Å; L637-V648 HydrophobicContact CD2-CG2 3.66Å
638	R	98.5	Very high	97.4	Very high	25 Å²	25	33.1 Å²	33.1	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	116.7	175.1	-82.2	-52.6	-122.2	-68	-9.3	115	E596 V636 A647 L683 D684 W685 T726 T728	E596-R638 VanDerWaalsContact OE1-CA 3.3Å; E596-R638 WeakPolarHBondContact OE1-CA 3.03Å; E596-R638 WeakPolarHBondContact OE2-CD 3.23Å; E596-R638 IonicContact OE2-NE 3.62Å; V636-R638 HydrophobicContact CG2-CG 4.07Å; R638-A647 PolarHBondContact N-O 2.76Å; R638-A647 PolarHBondContact O-N 2.79Å; R638-L683 HydrophobicContact CB-CB 4.32Å; R638-L683 HydrophobicContact CB-CD1 4.5Å; R638-L683 HydrophobicContact CG-CB 3.96Å; R638-L683 PolarHBondContact NH1-O 3.34Å; R638-L683 VanDerWaalsContact NH1-O 3.1Å; R638-L683 PolarHBondContact NH2-O 3.45Å; R638-D684 IonicContact CZ-OD1 2.67Å; R638-D684 IonicContact NH2-OD1 3.57Å; R638-D684 PolarHBondContact NH2-OD1 2.89Å; R638-W685 PolarHBondContact O-NE1 3.07Å; R638-T726 VanDerWaalsContact NH2-CB 3.28Å; R638-T726 PolarHBondContact NH2-OG1 3.33Å; R638-T728 PolarHBondContact NH1-OG1 2.98Å; R638-T728 VanDerWaalsContact NH2-CG2 3.34Å; R638-T728 PolarHBondContact NH2-OG1 2.84Å
639	F	98.7	Very high	97.5	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.039	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	152.6	165.8	-68.8	-80.8	0	0	0	112.2	E596 F597 H598 P599 V605 M645 L646 V660 Y667 W685	E596-F639 HydrophobicContact CG-CD2 4.1Å; E596-F639 PolarHBondContact OE1-N 3.13Å; F597-F639 WeakPolarHBondContact O-CD2 3.46Å; H598-F639 VanDerWaalsContact CA-CE2 3.43Å; H598-F639 HydrophobicContact CB-CD2 4.34Å; H598-F639 HydrophobicContact CB-CE1 4.15Å; H598-F639 HydrophobicContact CB-CE2 3.84Å; H598-F639 HydrophobicContact CB-CZ 3.73Å; H598-F639 AromaticContact CD2-CD1 3.85Å; H598-F639 AromaticContact CD2-CE1 3.71Å; H598-F639 VanDerWaalsContact N-CE2 3.33Å; P599-F639 HydrophobicContact CG-CB 4.26Å; V605-F639 HydrophobicContact CG1-CE2 4.13Å; V605-F639 HydrophobicContact CG1-CZ 3.7Å; V605-F639 HydrophobicContact CG2-CE2 3.66Å; V605-F639 HydrophobicContact CG2-CZ 4.05Å; F639-M645 CarbonylContact C-O 3.54Å; F639-M645 VanDerWaalsContact CA-O 3.23Å; F639-M645 WeakPolarHBondContact CA-O 3.33Å; F639-L646 HydrophobicContact CD1-CB 3.99Å; F639-L646 HydrophobicContact CD1-CD1 4.18Å; F639-L646 HydrophobicContact CD2-CD1 4.29Å; F639-L646 HydrophobicContact CE1-CB 4Å; F639-L646 HydrophobicContact CE1-CD1 4.22Å; F639-L646 HydrophobicContact CE1-CD2 4.49Å; F639-L646 HydrophobicContact CE1-CG 4.47Å; F639-L646 HydrophobicContact CE2-CD1 4.35Å; F639-L646 HydrophobicContact CG-CD1 4.23Å; F639-L646 HydrophobicContact CZ-CD1 4.32Å; F639-V660 HydrophobicContact CD1-CG2 4.3Å; F639-V660 HydrophobicContact CE1-CG1 4.1Å; F639-V660 HydrophobicContact CE1-CG2 4.1Å; F639-Y667 HydrophobicContact CE1-CE1 4.07Å; F639-Y667 HydrophobicContact CZ-CE1 4.44Å; F639-W685 VanDerWaalsContact C-NE1 3.34Å; F639-W685 PolarHBondContact O-NE1 2.78Å
640	S	98.3	Very high	97.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.169	C	C	.	.			trans	-65.3	161.9	162.9	57.5	0	0	0	0	111	P599 D642 G643 S644 M645	P599-S640 WeakPolarHBondContact CG-O 3.4Å; S640-D642 WeakPolarHBondContact CB-OD1 3.28Å; S640-D642 PolarHBondContact O-N 2.97Å; S640-D642 PolarHBondContact OG-OD1 2.91Å; S640-G643 PolarHBondContact O-N 3.1Å; S640-G643 PolarHBondContact OG-N 3.34Å; S640-S644 PolarHBondContact OG-N 3.29Å; S640-S644 VanDerWaalsContact OG-N 3.13Å; S640-M645 PolarHBondContact N-O 3.11Å; S640-M645 PolarHBondContact OG-N 2.87Å; S640-M645 PolarHBondContact OG-O 3.34Å
641	V	97.6	Very high	98	Very high	79 Å²	79	30.2 Å²	30.2	48%	0.479	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27	-177.1	-174.5	0	0	0	0	112.4	N689 A725	V641-N689 WeakPolarHBondContact CB-OD1 3.22Å; V641-N689 WeakPolarHBondContact CG2-OD1 3.42Å; V641-N689 PolarHBondContact N-OD1 3.47Å; V641-A725 HydrophobicContact CG2-CB 3.52Å
642	D	97.3	Very high	98.1	Very high	93 Å²	93	25.7 Å²	25.7	50%	0.497	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.7	174.4	59.5	17.5	0	0	0	114.4	S640 S644 N689	S640-D642 WeakPolarHBondContact CB-OD1 3.28Å; S640-D642 PolarHBondContact O-N 2.97Å; S640-D642 PolarHBondContact OG-OD1 2.91Å; D642-S644 VanDerWaalsContact CG-OG 3.23Å; D642-S644 PolarHBondContact O-N 2.93Å; D642-S644 VanDerWaalsContact OD1-CB 3.25Å; D642-S644 WeakPolarHBondContact OD1-CB 3.22Å; D642-S644 PolarHBondContact OD1-N 3.22Å; D642-S644 PolarHBondContact OD1-OG 3.15Å; D642-S644 PolarHBondContact OD2-OG 3.09Å; D642-N689 PolarHBondContact N-ND2 3.28Å; D642-N689 PolarHBondContact OD1-ND2 3.36Å; D642-N689 PolarHBondContact OD2-ND2 2.94Å
643	G	97.9	Very high	98.2	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	71.5	3.2	-175.4	0	0	0	0	0	115.6	H598 S640 M645 V660	H598-G643 PolarHBondContact NE2-O 2.95Å; S640-G643 PolarHBondContact O-N 3.1Å; S640-G643 PolarHBondContact OG-N 3.34Å; G643-M645 VanDerWaalsContact C-N 3.31Å; G643-M645 PolarHBondContact O-N 2.97Å; G643-V660 VanDerWaalsContact O-CB 3.24Å; G643-V660 WeakPolarHBondContact O-CB 3.34Å; G643-V660 WeakPolarHBondContact O-CG1 2.85Å
644	S	98.1	Very high	98.2	Very high	46 Å²	46	24.1 Å²	24.1	32%	0.322	13%	0.131	S	C	.	.	S	Bend	trans	-75.5	-13.4	-177.4	72.6	0	0	0	0	115.1	S640 D642 V660	S640-S644 PolarHBondContact OG-N 3.29Å; S640-S644 VanDerWaalsContact OG-N 3.13Å; D642-S644 VanDerWaalsContact CG-OG 3.23Å; D642-S644 PolarHBondContact O-N 2.93Å; D642-S644 VanDerWaalsContact OD1-CB 3.25Å; D642-S644 WeakPolarHBondContact OD1-CB 3.22Å; D642-S644 PolarHBondContact OD1-N 3.22Å; D642-S644 PolarHBondContact OD1-OG 3.15Å; D642-S644 PolarHBondContact OD2-OG 3.09Å; S644-V660 PolarHBondContact O-N 3.3Å
645	M	98.2	Very high	98.2	Very high	28 Å²	28	24.1 Å²	24.1	14%	0.138	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.3	177.1	-67.3	-73.4	-175	0	0	111	F639 S640 G643 Y658 Y670 W685	F639-M645 CarbonylContact C-O 3.54Å; F639-M645 VanDerWaalsContact CA-O 3.23Å; F639-M645 WeakPolarHBondContact CA-O 3.33Å; S640-M645 PolarHBondContact N-O 3.11Å; S640-M645 PolarHBondContact OG-N 2.87Å; S640-M645 PolarHBondContact OG-O 3.34Å; G643-M645 VanDerWaalsContact C-N 3.31Å; G643-M645 PolarHBondContact O-N 2.97Å; M645-Y658 CarbonylContact C-O 3.46Å; M645-Y658 VanDerWaalsContact CA-O 3.24Å; M645-Y658 WeakPolarHBondContact CA-O 3.43Å; M645-Y670 HydrophobicContact CE-CD1 4.15Å; M645-Y670 HydrophobicContact CE-CD2 3.75Å; M645-Y670 HydrophobicContact CE-CE1 4.19Å; M645-Y670 HydrophobicContact CE-CE2 3.79Å; M645-Y670 HydrophobicContact CE-CG 3.93Å; M645-Y670 HydrophobicContact SD-CD1 4.33Å; M645-Y670 HydrophobicContact SD-CD2 4.45Å; M645-Y670 HydrophobicContact SD-CG 4.11Å; M645-W685 HydrophobicContact CB-CH2 3.54Å; M645-W685 HydrophobicContact CB-CZ2 3.75Å; M645-W685 HydrophobicContact CG-CH2 4.05Å
646	L	98.7	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.5	166.4	172.9	63.9	0	0	0	108.9	V605 W613 L637 F639 V648 L657 Y658 V660 Y667	V605-L646 HydrophobicContact CG1-CD2 4.21Å; V605-L646 HydrophobicContact CG2-CD1 4.26Å; V605-L646 HydrophobicContact CG2-CD2 4.49Å; W613-L646 HydrophobicContact CE3-CD2 4.14Å; W613-L646 HydrophobicContact CH2-CD2 3.72Å; W613-L646 HydrophobicContact CZ2-CD2 4.27Å; W613-L646 HydrophobicContact CZ3-CD2 3.63Å; L637-L646 HydrophobicContact CB-CD1 4.37Å; F639-L646 HydrophobicContact CD1-CB 3.99Å; F639-L646 HydrophobicContact CD1-CD1 4.18Å; F639-L646 HydrophobicContact CD2-CD1 4.29Å; F639-L646 HydrophobicContact CE1-CB 4Å; F639-L646 HydrophobicContact CE1-CD1 4.22Å; F639-L646 HydrophobicContact CE1-CD2 4.49Å; F639-L646 HydrophobicContact CE1-CG 4.47Å; F639-L646 HydrophobicContact CE2-CD1 4.35Å; F639-L646 HydrophobicContact CG-CD1 4.23Å; F639-L646 HydrophobicContact CZ-CD1 4.32Å; L646-V648 HydrophobicContact CD2-CG2 4.22Å; L646-V648 HydrophobicContact CG-CG2 4.07Å; L646-L657 WeakPolarHBondContact O-CA 3.35Å; L646-Y658 PolarHBondContact N-O 3.02Å; L646-Y658 PolarHBondContact O-N 3.2Å; L646-V660 HydrophobicContact CB-CG2 3.74Å; L646-Y667 HydrophobicContact CB-CE1 4.26Å; L646-Y667 HydrophobicContact CD2-CD1 4.15Å; L646-Y667 HydrophobicContact CD2-CE1 3.68Å
647	A	98.8	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.1	168.8	0	0	0	0	0	110.3	L637 R638 I655 Y656 L657 L683 W685 I692	L637-A647 CarbonylContact C-O 3.41Å; R638-A647 PolarHBondContact N-O 2.76Å; R638-A647 PolarHBondContact O-N 2.79Å; A647-I655 HydrophobicContact CB-CG2 4.07Å; A647-Y656 CarbonylContact C-O 3.56Å; A647-Y656 WeakPolarHBondContact CA-O 3.4Å; A647-L657 HydrophobicContact CB-CD1 3.94Å; A647-L683 HydrophobicContact CB-CD1 3.92Å; A647-W685 HydrophobicContact CB-CZ2 4.01Å; A647-I692 HydrophobicContact CB-CD1 3.77Å
648	V	98.8	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	105.9	-176.7	-179	0	0	0	0	108.1	L634 L637 L646 I655 Y656 Y658	L634-V648 HydrophobicContact CD1-CG1 3.9Å; L634-V648 HydrophobicContact CD2-CG1 3.84Å; L634-V648 HydrophobicContact CG-CG1 4.37Å; L637-V648 HydrophobicContact CD2-CB 4.02Å; L637-V648 HydrophobicContact CD2-CG1 3.76Å; L637-V648 HydrophobicContact CD2-CG2 3.66Å; L646-V648 HydrophobicContact CD2-CG2 4.22Å; L646-V648 HydrophobicContact CG-CG2 4.07Å; V648-I655 CarbonylContact O-C 3.57Å; V648-I655 VanDerWaalsContact O-CA 3.3Å; V648-I655 WeakPolarHBondContact O-CA 3.46Å; V648-Y656 PolarHBondContact N-O 2.84Å; V648-Y656 PolarHBondContact O-N 3.08Å; V648-Y658 HydrophobicContact CG2-CD2 4.4Å
649	G	98.6	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.3	176.7	0	0	0	0	0	111.4	L634 S635 V636	L634-G649 WeakPolarHBondContact CA-O 3.1Å; S635-G649 PolarHBondContact N-O 3.43Å; S635-G649 VanDerWaalsContact N-O 3.07Å; S635-G649 PolarHBondContact OG-O 2.78Å; V636-G649 PolarHBondContact O-N 3.25Å
650	S	98.4	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157	-174.7	-179.5	0	0	0	0	112.7	D652 N653 F654 I680	S650-D652 VanDerWaalsContact CB-CG 3.49Å; S650-D652 VanDerWaalsContact CB-OD1 3.31Å; S650-D652 WeakPolarHBondContact CB-OD1 3.2Å; S650-D652 WeakPolarHBondContact CB-OD2 3.47Å; S650-D652 PolarHBondContact O-N 2.8Å; S650-D652 PolarHBondContact OG-N 3.05Å; S650-D652 PolarHBondContact OG-OD1 3.09Å; S650-D652 PolarHBondContact OG-OD2 2.86Å; S650-N653 PolarHBondContact O-N 2.9Å; S650-F654 PolarHBondContact N-O 3.47Å; S650-F654 VanDerWaalsContact N-O 3.16Å; S650-I680 WeakPolarHBondContact O-CG1 3.34Å; S650-I680 PolarHBondContact O-N 2.71Å; S650-I680 VanDerWaalsContact O-N 3.13Å
651	H	98.4	Very high	98.2	Very high	49 Å²	49	27.4 Å²	27.4	23%	0.227	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.7	170.8	-78.6	-158.1	0	0	0	113.9	E632 Q633 N653 Y679	E632-H651 HydrophobicContact CB-CB 4Å; Q633-H651 HydrophobicContact CB-CB 4.25Å; Q633-H651 WeakPolarHBondContact O-CB 3.08Å; Q633-H651 PolarHBondContact O-CD2 3.24Å; Q633-H651 PolarHBondContact O-N 3.28Å; Q633-H651 PolarHBondContact OE1-CE1 3.18Å; Q633-H651 VanDerWaalsContact OE1-CE1 3.3Å; H651-N653 PolarHBondContact O-N 3.22Å; H651-N653 PolarHBondContact O-OD1 3.47Å; H651-Y679 AromaticContact NE2-CD2 3.98Å
652	D	97.8	Very high	98.1	Very high	30 Å²	30	29 Å²	29	16%	0.16	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	9.2	168.2	61.6	40.4	0	0	0	114.9	G630 E632 S650 F654 Y656	G630-D652 WeakPolarHBondContact CA-OD2 3.41Å; E632-D652 HydrophobicContact CB-CB 4.21Å; E632-D652 HydrophobicContact CG-CB 4.13Å; S650-D652 VanDerWaalsContact CB-CG 3.49Å; S650-D652 VanDerWaalsContact CB-OD1 3.31Å; S650-D652 WeakPolarHBondContact CB-OD1 3.2Å; S650-D652 WeakPolarHBondContact CB-OD2 3.47Å; S650-D652 PolarHBondContact O-N 2.8Å; S650-D652 PolarHBondContact OG-N 3.05Å; S650-D652 PolarHBondContact OG-OD1 3.09Å; S650-D652 PolarHBondContact OG-OD2 2.86Å; D652-F654 VanDerWaalsContact C-N 3.28Å; D652-F654 HydrophobicContact CB-CD2 4.32Å; D652-F654 PolarHBondContact O-N 3.41Å; D652-F654 VanDerWaalsContact OD1-CB 3.28Å; D652-F654 WeakPolarHBondContact OD1-CB 3.35Å; D652-F654 VanDerWaalsContact OD1-CD2 3.25Å; D652-F654 WeakPolarHBondContact OD1-CD2 3.36Å; D652-F654 PolarHBondContact OD1-N 3.44Å; D652-Y656 WeakPolarHBondContact OD2-CE2 3.32Å; D652-Y656 PolarHBondContact OD2-OH 2.82Å
653	N	98.1	Very high	97.9	Very high	50 Å²	50	30.6 Å²	30.6	27%	0.267	16%	0.162	S	C	.	.	S	Bend	trans	71.4	2	-177.2	-47.3	-7.7	0	0	0	115.8	S650 H651 S677 S678 Y679	S650-N653 PolarHBondContact O-N 2.9Å; H651-N653 PolarHBondContact O-N 3.22Å; H651-N653 PolarHBondContact O-OD1 3.47Å; N653-S677 VanDerWaalsContact ND2-C 3.32Å; N653-S677 PolarHBondContact ND2-O 3.13Å; N653-S678 PolarHBondContact ND2-N 3.46Å; N653-S678 WeakPolarHBondContact OD1-CA 3.36Å; N653-S678 PolarHBondContact OD1-O 2.89Å; N653-Y679 PolarHBondContact OD1-N 2.78Å
654	F	98.1	Very high	97.7	Very high	55 Å²	55	30.5 Å²	30.5	24%	0.241	16%	0.161	C	C	.	.			trans	-94.8	158.7	175.6	-58.9	-66.5	0	0	0	112.7	S650 D652 Y656 K672 I680	S650-F654 PolarHBondContact N-O 3.47Å; S650-F654 VanDerWaalsContact N-O 3.16Å; D652-F654 VanDerWaalsContact C-N 3.28Å; D652-F654 HydrophobicContact CB-CD2 4.32Å; D652-F654 PolarHBondContact O-N 3.41Å; D652-F654 VanDerWaalsContact OD1-CB 3.28Å; D652-F654 WeakPolarHBondContact OD1-CB 3.35Å; D652-F654 VanDerWaalsContact OD1-CD2 3.25Å; D652-F654 WeakPolarHBondContact OD1-CD2 3.36Å; D652-F654 PolarHBondContact OD1-N 3.44Å; F654-Y656 HydrophobicContact CB-CD1 4.41Å; F654-Y656 HydrophobicContact CB-CE1 3.89Å; F654-Y656 HydrophobicContact CB-CE2 4.01Å; F654-Y656 HydrophobicContact CD2-CE1 4.43Å; F654-Y656 WeakPolarHBondContact CD2-OH 3.24Å; F654-Y656 HydrophobicContact CG-CE1 4.32Å; F654-K672 HydrophobicContact CD1-CD 4.05Å; F654-K672 HydrophobicContact CE1-CD 4.45Å; F654-K672 HydrophobicContact CG-CD 4.31Å; F654-K672 VanDerWaalsContact CZ-NZ 3.29Å; F654-I680 WeakPolarHBondContact O-CG1 3.14Å
655	I	98.7	Very high	97.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.5	163.2	-45.5	159.9	0	0	0	106.8	A647 V648 L657 K672 C673 I680 L683 S694	A647-I655 HydrophobicContact CB-CG2 4.07Å; V648-I655 CarbonylContact O-C 3.57Å; V648-I655 VanDerWaalsContact O-CA 3.3Å; V648-I655 WeakPolarHBondContact O-CA 3.46Å; I655-L657 HydrophobicContact CG2-CD2 4.12Å; I655-K672 CarbonylContact O-C 3.48Å; I655-K672 VanDerWaalsContact O-CA 3.28Å; I655-K672 WeakPolarHBondContact O-CA 3.02Å; I655-C673 HydrophobicContact CB-CB 3.93Å; I655-C673 HydrophobicContact CD1-CB 4.07Å; I655-C673 HydrophobicContact CG1-CB 4.3Å; I655-C673 PolarHBondContact N-O 3.04Å; I655-C673 PolarHBondContact O-N 3.04Å; I655-I680 HydrophobicContact CD1-CD1 4.23Å; I655-I680 HydrophobicContact CG1-CD1 3.73Å; I655-I680 HydrophobicContact CG1-CG1 3.86Å; I655-I680 HydrophobicContact CG1-CG2 4.44Å; I655-L683 HydrophobicContact CD1-CD2 3.6Å; I655-L683 HydrophobicContact CG1-CD2 4Å; I655-L683 HydrophobicContact CG2-CD1 3.83Å; I655-L683 HydrophobicContact CG2-CD2 4.06Å; I655-S694 WeakPolarHBondContact CD1-OG 3.23Å
656	Y	98.6	Very high	97.7	Very high	17 Å²	17	37.9 Å²	37.9	7%	0.067	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.3	-179.2	-57.2	-71.4	0	0	0	110.6	D629 A647 V648 D652 F654 R669 K672	D629-Y656 HydrophobicContact CB-CD2 3.6Å; D629-Y656 HydrophobicContact CB-CE2 3.87Å; D629-Y656 HydrophobicContact CB-CG 4.14Å; A647-Y656 CarbonylContact C-O 3.56Å; A647-Y656 WeakPolarHBondContact CA-O 3.4Å; V648-Y656 PolarHBondContact N-O 2.84Å; V648-Y656 PolarHBondContact O-N 3.08Å; D652-Y656 WeakPolarHBondContact OD2-CE2 3.32Å; D652-Y656 PolarHBondContact OD2-OH 2.82Å; F654-Y656 HydrophobicContact CB-CD1 4.41Å; F654-Y656 HydrophobicContact CB-CE1 3.89Å; F654-Y656 HydrophobicContact CB-CE2 4.01Å; F654-Y656 HydrophobicContact CD2-CE1 4.43Å; F654-Y656 WeakPolarHBondContact CD2-OH 3.24Å; F654-Y656 HydrophobicContact CG-CE1 4.32Å; Y656-R669 VanDerWaalsContact CE1-NH2 3.31Å; Y656-K672 HydrophobicContact CD1-CB 3.72Å; Y656-K672 HydrophobicContact CD1-CD 4.36Å; Y656-K672 HydrophobicContact CE1-CB 4.18Å; Y656-K672 HydrophobicContact CE1-CD 3.98Å
657	L	98.5	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.7	-176.8	-85.4	-66.5	0	0	0	109.9	L646 A647 I655 Y670 G671 W685 I692 I706	L646-L657 WeakPolarHBondContact O-CA 3.35Å; A647-L657 HydrophobicContact CB-CD1 3.94Å; I655-L657 HydrophobicContact CG2-CD2 4.12Å; L657-Y670 HydrophobicContact CB-CD1 3.99Å; L657-Y670 WeakPolarHBondContact O-CA 3.43Å; L657-Y670 PolarHBondContact O-N 3.38Å; L657-G671 PolarHBondContact N-O 2.81Å; L657-G671 PolarHBondContact O-N 3.34Å; L657-G671 VanDerWaalsContact O-N 3.09Å; L657-W685 HydrophobicContact CD1-CH2 3.78Å; L657-W685 HydrophobicContact CD1-CZ2 3.87Å; L657-I692 HydrophobicContact CD1-CD1 4.12Å; L657-I706 HydrophobicContact CD1-CG2 4.35Å; L657-I706 HydrophobicContact CG-CD1 4.44Å; L657-I706 HydrophobicContact CG-CG2 4.46Å
658	Y	98.6	Very high	97.6	Very high	13 Å²	13	43 Å²	43	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.5	172.5	-73.8	-98.6	0	0	0	110	W613 D629 M645 L646 V648 S668 R669	W613-Y658 HydrophobicContact CH2-CD2 4.47Å; W613-Y658 HydrophobicContact CH2-CG 4.42Å; W613-Y658 HydrophobicContact CZ2-CD1 4.24Å; W613-Y658 AromaticContact CZ2-CD2 3.77Å; W613-Y658 HydrophobicContact CZ2-CD2 3.77Å; W613-Y658 HydrophobicContact CZ2-CE1 4.12Å; W613-Y658 AromaticContact CZ2-CE2 3.63Å; W613-Y658 HydrophobicContact CZ2-CE2 3.63Å; W613-Y658 HydrophobicContact CZ2-CG 4.08Å; W613-Y658 AromaticContact CZ2-CZ 3.81Å; D629-Y658 VanDerWaalsContact CG-OH 3.28Å; D629-Y658 PolarHBondContact OD1-OH 2.9Å; D629-Y658 WeakPolarHBondContact OD2-CE2 3.31Å; D629-Y658 VanDerWaalsContact OD2-CZ 3.25Å; D629-Y658 PolarHBondContact OD2-OH 3.17Å; M645-Y658 CarbonylContact C-O 3.46Å; M645-Y658 VanDerWaalsContact CA-O 3.24Å; M645-Y658 WeakPolarHBondContact CA-O 3.43Å; L646-Y658 PolarHBondContact N-O 3.02Å; L646-Y658 PolarHBondContact O-N 3.2Å; V648-Y658 HydrophobicContact CG2-CD2 4.4Å; Y658-S668 CarbonylContact C-O 3.28Å; Y658-S668 VanDerWaalsContact CA-O 3.27Å; Y658-S668 WeakPolarHBondContact CA-O 3.18Å; Y658-R669 HydrophobicContact CD1-CB 4.18Å; Y658-R669 HydrophobicContact CE1-CB 3.81Å; Y658-R669 HydrophobicContact CE1-CG 4.18Å; Y658-R669 PolarHBondContact OH-NH1 2.91Å
659	S	98.1	Very high	97.5	Very high	50 Å²	50	48.9 Å²	48.9	35%	0.35	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.8	161.5	179.3	0	0	0	0	108.7	Y667 S668	S659-Y667 WeakPolarHBondContact O-CA 3.37Å; S659-S668 PolarHBondContact N-O 2.82Å; S659-S668 PolarHBondContact O-N 3.24Å
660	V	98.4	Very high	97.4	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.6	-170.3	-177.9	0	0	0	0	108.9	F639 G643 S644 L646 R666 Y667	F639-V660 HydrophobicContact CD1-CG2 4.3Å; F639-V660 HydrophobicContact CE1-CG1 4.1Å; F639-V660 HydrophobicContact CE1-CG2 4.1Å; G643-V660 VanDerWaalsContact O-CB 3.24Å; G643-V660 WeakPolarHBondContact O-CB 3.34Å; G643-V660 WeakPolarHBondContact O-CG1 2.85Å; S644-V660 PolarHBondContact O-N 3.3Å; L646-V660 HydrophobicContact CB-CG2 3.74Å; V660-R666 CarbonylContact C-O 3.35Å; V660-R666 WeakPolarHBondContact CA-O 3.39Å; V660-Y667 HydrophobicContact CB-CE1 4.47Å; V660-Y667 HydrophobicContact CG1-CD1 4.49Å; V660-Y667 HydrophobicContact CG1-CE1 4.06Å; V660-Y667 HydrophobicContact CG2-CD1 3.74Å; V660-Y667 HydrophobicContact CG2-CE1 3.69Å
661	S	97.2	Very high	97.3	Very high	51 Å²	51	54.5 Å²	54.5	36%	0.357	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	175.1	-176.7	52.7	0	0	0	0	110.7	Q663 G664 R665 R666	S661-Q663 VanDerWaalsContact C-N 3.28Å; S661-Q663 PolarHBondContact O-N 2.88Å; S661-G664 PolarHBondContact O-N 3Å; S661-G664 VanDerWaalsContact O-N 3.12Å; S661-R665 PolarHBondContact O-N 3.33Å; S661-R666 PolarHBondContact N-O 2.98Å; S661-R666 PolarHBondContact O-N 3.43Å; S661-R666 VanDerWaalsContact O-N 3.17Å; S661-R666 WeakPolarHBondContact OG-CB 3.39Å; S661-R666 WeakPolarHBondContact OG-CG 3.39Å; S661-R666 PolarHBondContact OG-O 2.72Å
662	E	95.4	Very high	97.3	Very high	113 Å²	113	56.7 Å²	56.7	53%	0.528	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	56.2	41.3	176.9	-59.8	172.4	-156.9	0	0	112.3	G664 R665 R666	E662-G664 VanDerWaalsContact C-N 3.33Å; E662-G664 PolarHBondContact O-N 3.43Å; E662-R665 HydrophobicContact CB-CB 4.19Å; E662-R665 WeakPolarHBondContact O-CB 3.32Å; E662-R665 PolarHBondContact O-N 2.94Å; E662-R665 VanDerWaalsContact O-N 3.11Å; E662-R666 HydrophobicContact CB-CB 4.17Å; E662-R666 HydrophobicContact CG-CB 4.24Å; E662-R666 WeakPolarHBondContact OE1-CD 3.49Å; E662-R666 IonicContact OE1-CZ 2.63Å; E662-R666 IonicContact OE1-NE 3.29Å; E662-R666 IonicContact OE1-NH1 3.76Å; E662-R666 PolarHBondContact OE1-NH1 2.93Å
663	Q	92.8	Very high	97.3	Very high	127 Å²	127	55.3 Å²	55.3	59%	0.593	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	53	43.9	-175.8	-56.8	-174.8	4.1	0	0	113.9	S661 R665	S661-Q663 VanDerWaalsContact C-N 3.28Å; S661-Q663 PolarHBondContact O-N 2.88Å; Q663-R665 PolarHBondContact O-NH1 3.27Å
664	G	94.3	Very high	97.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	84.2	8.7	-178.1	0	0	0	0	0	114.4	V603 S661 E662 Y667	V603-G664 WeakPolarHBondContact CG2-O 3.44Å; S661-G664 PolarHBondContact O-N 3Å; S661-G664 VanDerWaalsContact O-N 3.12Å; E662-G664 VanDerWaalsContact C-N 3.33Å; E662-G664 PolarHBondContact O-N 3.43Å; G664-Y667 WeakPolarHBondContact O-CE2 3.39Å; G664-Y667 PolarHBondContact O-OH 2.84Å
665	R	96.9	Very high	97.2	Very high	83 Å²	83	55.5 Å²	55.5	31%	0.313	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-10.9	177.3	-71.7	166.7	179.1	65	7	114.5	A602 V603 D617 V624 S661 E662 Q663	A602-R665 PolarHBondContact O-NH2 2.99Å; V603-R665 HydrophobicContact CG1-CG 3.95Å; D617-R665 IonicContact OD1-NH2 3.26Å; D617-R665 IonicContact OD2-CZ 3.03Å; D617-R665 IonicContact OD2-NE 3.78Å; D617-R665 IonicContact OD2-NH2 2.74Å; D617-R665 PolarHBondContact OD2-NH2 2.86Å; V624-R665 HydrophobicContact CG1-CB 3.94Å; V624-R665 HydrophobicContact CG1-CG 3.86Å; V624-R665 HydrophobicContact CG2-CG 4.47Å; S661-R665 PolarHBondContact O-N 3.33Å; E662-R665 HydrophobicContact CB-CB 4.19Å; E662-R665 WeakPolarHBondContact O-CB 3.32Å; E662-R665 PolarHBondContact O-N 2.94Å; E662-R665 VanDerWaalsContact O-N 3.11Å; Q663-R665 PolarHBondContact O-NH1 3.27Å
666	R	97.9	Very high	97.2	Very high	146 Å²	146	56.1 Å²	56.1	55%	0.551	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	126.9	-176.7	-179.4	176	-162.5	143.7	9.6	113.2	V660 S661 E662	V660-R666 CarbonylContact C-O 3.35Å; V660-R666 WeakPolarHBondContact CA-O 3.39Å; S661-R666 PolarHBondContact N-O 2.98Å; S661-R666 PolarHBondContact O-N 3.43Å; S661-R666 VanDerWaalsContact O-N 3.17Å; S661-R666 WeakPolarHBondContact OG-CB 3.39Å; S661-R666 WeakPolarHBondContact OG-CG 3.39Å; S661-R666 PolarHBondContact OG-O 2.72Å; E662-R666 HydrophobicContact CB-CB 4.17Å; E662-R666 HydrophobicContact CG-CB 4.24Å; E662-R666 WeakPolarHBondContact OE1-CD 3.49Å; E662-R666 IonicContact OE1-CZ 2.63Å; E662-R666 IonicContact OE1-NE 3.29Å; E662-R666 IonicContact OE1-NH1 3.76Å; E662-R666 PolarHBondContact OE1-NH1 2.93Å
667	Y	98.4	Very high	97.1	Very high	25 Å²	25	58.7 Å²	58.7	10%	0.098	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.4	-176.9	-60.4	-95.4	0	0	0	111.1	V605 W613 V615 H627 F639 L646 S659 V660 G664	V605-Y667 WeakPolarHBondContact CG1-OH 3.22Å; W613-Y667 AromaticContact CH2-CD1 3.55Å; W613-Y667 HydrophobicContact CH2-CD1 3.55Å; W613-Y667 HydrophobicContact CH2-CD2 4.31Å; W613-Y667 AromaticContact CH2-CE1 3.99Å; W613-Y667 HydrophobicContact CH2-CE1 3.99Å; W613-Y667 AromaticContact CH2-CG 3.74Å; W613-Y667 HydrophobicContact CH2-CG 3.74Å; W613-Y667 AromaticContact CZ3-CD1 3.97Å; W613-Y667 HydrophobicContact CZ3-CD1 3.97Å; W613-Y667 HydrophobicContact CZ3-CD2 4.36Å; W613-Y667 AromaticContact CZ3-CE1 3.94Å; W613-Y667 HydrophobicContact CZ3-CE1 3.94Å; W613-Y667 HydrophobicContact CZ3-CE2 4.37Å; W613-Y667 HydrophobicContact CZ3-CG 4.19Å; V615-Y667 HydrophobicContact CB-CE2 4.33Å; V615-Y667 HydrophobicContact CG1-CE2 3.88Å; V615-Y667 HydrophobicContact CG2-CD2 4.18Å; V615-Y667 HydrophobicContact CG2-CE2 3.6Å; H627-Y667 AromaticContact NE2-CD2 3.78Å; F639-Y667 HydrophobicContact CE1-CE1 4.07Å; F639-Y667 HydrophobicContact CZ-CE1 4.44Å; L646-Y667 HydrophobicContact CB-CE1 4.26Å; L646-Y667 HydrophobicContact CD2-CD1 4.15Å; L646-Y667 HydrophobicContact CD2-CE1 3.68Å; S659-Y667 WeakPolarHBondContact O-CA 3.37Å; V660-Y667 HydrophobicContact CB-CE1 4.47Å; V660-Y667 HydrophobicContact CG1-CD1 4.49Å; V660-Y667 HydrophobicContact CG1-CE1 4.06Å; V660-Y667 HydrophobicContact CG2-CD1 3.74Å; V660-Y667 HydrophobicContact CG2-CE1 3.69Å; G664-Y667 WeakPolarHBondContact O-CE2 3.39Å; G664-Y667 PolarHBondContact O-OH 2.84Å
668	S	97.6	Very high	97	Very high	83 Å²	83	59.6 Å²	59.6	58%	0.58	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.1	170.5	-165.1	0	0	0	0	110.1	Y658 S659 Y670	Y658-S668 CarbonylContact C-O 3.28Å; Y658-S668 VanDerWaalsContact CA-O 3.27Å; Y658-S668 WeakPolarHBondContact CA-O 3.18Å; S659-S668 PolarHBondContact N-O 2.82Å; S659-S668 PolarHBondContact O-N 3.24Å; S668-Y670 PolarHBondContact O-N 3.48Å; S668-Y670 VanDerWaalsContact O-N 3.14Å
669	R	96.8	Very high	97	Very high	123 Å²	123	63.1 Å²	63.1	46%	0.464	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	113.7	-173.2	-164.9	-170.8	-162	91	6.4	110.3	D629 Y656 Y658	D629-R669 IonicContact OD1-CZ 3.77Å; D629-R669 IonicContact OD1-NH1 3.02Å; D629-R669 PolarHBondContact OD1-NH1 3.28Å; D629-R669 IonicContact OD1-NH2 2.9Å; D629-R669 PolarHBondContact OD1-NH2 2.76Å; Y656-R669 VanDerWaalsContact CE1-NH2 3.31Å; Y658-R669 HydrophobicContact CD1-CB 4.18Å; Y658-R669 HydrophobicContact CE1-CB 3.81Å; Y658-R669 HydrophobicContact CE1-CG 4.18Å; Y658-R669 PolarHBondContact OH-NH1 2.91Å
670	Y	97	Very high	97	Very high	95 Å²	95	60.7 Å²	60.7	37%	0.373	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-42.4	-179.6	176.6	-99.5	0	0	0	111.9	M645 L657 S668 I706	M645-Y670 HydrophobicContact CE-CD1 4.15Å; M645-Y670 HydrophobicContact CE-CD2 3.75Å; M645-Y670 HydrophobicContact CE-CE1 4.19Å; M645-Y670 HydrophobicContact CE-CE2 3.79Å; M645-Y670 HydrophobicContact CE-CG 3.93Å; M645-Y670 HydrophobicContact SD-CD1 4.33Å; M645-Y670 HydrophobicContact SD-CD2 4.45Å; M645-Y670 HydrophobicContact SD-CG 4.11Å; L657-Y670 HydrophobicContact CB-CD1 3.99Å; L657-Y670 WeakPolarHBondContact O-CA 3.43Å; L657-Y670 PolarHBondContact O-N 3.38Å; S668-Y670 PolarHBondContact O-N 3.48Å; S668-Y670 VanDerWaalsContact O-N 3.14Å; Y670-I706 HydrophobicContact CD1-CG2 4.35Å; Y670-I706 HydrophobicContact CE1-CG2 3.74Å; Y670-I706 WeakPolarHBondContact CE1-O 3.25Å; Y670-I706 PolarHBondContact OH-O 2.89Å
671	G	96.6	Very high	96.9	Very high	22 Å²	22	61.9 Å²	61.9	23%	0.227	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	-161.4	-178.6	0	0	0	0	0	114.5	L657	L657-G671 PolarHBondContact N-O 2.81Å; L657-G671 PolarHBondContact O-N 3.34Å; L657-G671 VanDerWaalsContact O-N 3.09Å
672	K	96.9	Very high	97	Very high	95 Å²	95	60.7 Å²	60.7	41%	0.413	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.4	168.4	72.1	173	-170.4	161.6	0	111.8	F654 I655 Y656 C710	F654-K672 HydrophobicContact CD1-CD 4.05Å; F654-K672 HydrophobicContact CE1-CD 4.45Å; F654-K672 HydrophobicContact CG-CD 4.31Å; F654-K672 VanDerWaalsContact CZ-NZ 3.29Å; I655-K672 CarbonylContact O-C 3.48Å; I655-K672 VanDerWaalsContact O-CA 3.28Å; I655-K672 WeakPolarHBondContact O-CA 3.02Å; Y656-K672 HydrophobicContact CD1-CB 3.72Å; Y656-K672 HydrophobicContact CD1-CD 4.36Å; Y656-K672 HydrophobicContact CE1-CB 4.18Å; Y656-K672 HydrophobicContact CE1-CD 3.98Å; K672-C710 WeakPolarHBondContact O-CB 3.38Å
673	C	98.3	Very high	97.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.2	165.1	-58.6	0	0	0	0	109.1	I655 W704	I655-C673 HydrophobicContact CB-CB 3.93Å; I655-C673 HydrophobicContact CD1-CB 4.07Å; I655-C673 HydrophobicContact CG1-CB 4.3Å; I655-C673 PolarHBondContact N-O 3.04Å; I655-C673 PolarHBondContact O-N 3.04Å; C673-W704 HydrophobicContact CB-CD2 3.59Å; C673-W704 HydrophobicContact CB-CE3 3.46Å; C673-W704 VanDerWaalsContact CB-CE3 3.46Å; C673-W704 HydrophobicContact CB-CG 4.2Å; C673-W704 HydrophobicContact CB-CH2 4.09Å; C673-W704 HydrophobicContact CB-CZ2 4.21Å; C673-W704 HydrophobicContact CB-CZ3 3.72Å
674	S	97.2	Very high	97.4	Very high	70 Å²	70	49.2 Å²	49.2	49%	0.49	25%	0.252	S	S	.	.			trans	-146	121.1	-175.3	174.8	0	0	0	0	110.2
675	G	96.8	Very high	97.6	Very high	40 Å²	40	49.4 Å²	49.4	41%	0.412	25%	0.253	S	S	.	.			trans	153.3	-5.1	179.1	0	0	0	0	0	116.9
676	H	97.9	Very high	97.7	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.065	24%	0.238	C	C	.	.			trans	-71	144.1	167.6	-93	-64.2	0	0	0	111.1	I680 S694 S696 E700 L702 W704	H676-I680 HydrophobicContact CB-CD1 4.1Å; H676-I680 WeakPolarHBondContact CD2-CD1 3.33Å; H676-S694 PolarHBondContact NE2-OG 3.05Å; H676-S696 PolarHBondContact CE1-OG 3.34Å; H676-S696 VanDerWaalsContact CE1-OG 3.29Å; H676-S696 VanDerWaalsContact ND1-CB 3.29Å; H676-S696 WeakPolarHBondContact ND1-CB 3.22Å; H676-S696 PolarHBondContact ND1-OG 2.89Å; H676-E700 PolarHBondContact CE1-O 2.97Å; H676-L702 HydrophobicContact CB-CD1 4.38Å; H676-W704 AromaticContact CD2-CZ2 3.92Å
677	S	96.7	Very high	97.7	Very high	71 Å²	71	41.7 Å²	41.7	50%	0.497	23%	0.232	S	C	.	.	S	Bend	trans	-82	-14	178.4	-49.3	0	0	0	0	113.7	N653 E700	N653-S677 VanDerWaalsContact ND2-C 3.32Å; N653-S677 PolarHBondContact ND2-O 3.13Å; S677-E700 WeakPolarHBondContact CB-OE2 3.44Å; S677-E700 PolarHBondContact N-OE2 3.44Å; S677-E700 VanDerWaalsContact N-OE2 3.1Å; S677-E700 PolarHBondContact OG-OE2 2.88Å
678	S	97.2	Very high	97.6	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	25%	0.246	C	C	.	.	S	Bend	trans	-152.6	173.6	-170.3	-164	0	0	0	0	111.2	N653 D698	N653-S678 PolarHBondContact ND2-N 3.46Å; N653-S678 WeakPolarHBondContact OD1-CA 3.36Å; N653-S678 PolarHBondContact OD1-O 2.89Å; S678-D698 WeakPolarHBondContact CB-OD1 3.48Å
679	Y	97.6	Very high	97.6	Very high	87 Å²	87	41 Å²	41	34%	0.341	22%	0.223	S	C	.	.			trans	-55.8	141.5	-173.1	53.9	-89.6	0	0	0	112.5	H651 N653 T681 S696 G697	H651-Y679 AromaticContact NE2-CD2 3.98Å; N653-Y679 PolarHBondContact OD1-N 2.78Å; Y679-T681 HydrophobicContact CD2-CG2 3.79Å; Y679-T681 HydrophobicContact CE2-CG2 3.65Å; Y679-S696 CarbonylContact O-C 3.55Å; Y679-S696 WeakPolarHBondContact O-CA 3.44Å; Y679-S696 WeakPolarHBondContact O-CB 3.47Å; Y679-G697 PolarHBondContact O-N 2.91Å
680	I	98.6	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.5	175.9	-53.2	-56.8	0	0	0	109.5	S635 V636 S650 F654 I655 H676 L683	S635-I680 WeakPolarHBondContact CB-O 3.32Å; S635-I680 PolarHBondContact OG-O 3.19Å; V636-I680 HydrophobicContact CG1-CG2 4.03Å; S650-I680 WeakPolarHBondContact O-CG1 3.34Å; S650-I680 PolarHBondContact O-N 2.71Å; S650-I680 VanDerWaalsContact O-N 3.13Å; F654-I680 WeakPolarHBondContact O-CG1 3.14Å; I655-I680 HydrophobicContact CD1-CD1 4.23Å; I655-I680 HydrophobicContact CG1-CD1 3.73Å; I655-I680 HydrophobicContact CG1-CG1 3.86Å; I655-I680 HydrophobicContact CG1-CG2 4.44Å; H676-I680 HydrophobicContact CB-CD1 4.1Å; H676-I680 WeakPolarHBondContact CD2-CD1 3.33Å; I680-L683 HydrophobicContact CG2-CD2 3.94Å; I680-L683 HydrophobicContact CG2-CG 4.3Å
681	T	97.8	Very high	97.7	Very high	36 Å²	36	36.2 Å²	36.2	22%	0.221	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-41	175.5	54.1	0	0	0	0	113.2	Y679 N695	Y679-T681 HydrophobicContact CD2-CG2 3.79Å; Y679-T681 HydrophobicContact CE2-CG2 3.65Å; T681-N695 PolarHBondContact N-O 3.23Å; T681-N695 WeakPolarHBondContact OG1-CB 3.45Å; T681-N695 PolarHBondContact OG1-O 3Å
682	H	98.4	Very high	97.8	Very high	25 Å²	25	35.1 Å²	35.1	12%	0.116	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.8	-176.7	-47.4	-71.8	0	0	0	112.1	S694 N695 C729 V730 N749	H682-S694 VanDerWaalsContact O-CA 3.31Å; H682-S694 WeakPolarHBondContact O-CA 3.37Å; H682-N695 HydrophobicContact CB-CB 4.34Å; H682-N695 PolarHBondContact O-N 3.43Å; H682-C729 HydrophobicContact CB-CB 4.3Å; H682-V730 WeakPolarHBondContact NE2-CG2 3.25Å; H682-N749 PolarHBondContact CE1-O 3.48Å
683	L	98.4	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.3	177.8	-59.2	176.3	0	0	0	110	V636 R638 A647 I655 I680 I692 M693 S694 T728	V636-L683 HydrophobicContact CG1-CD1 3.89Å; V636-L683 HydrophobicContact CG1-CG 3.72Å; V636-L683 HydrophobicContact CG2-CB 4.41Å; V636-L683 HydrophobicContact CG2-CD1 4.47Å; V636-L683 HydrophobicContact CG2-CG 4.4Å; R638-L683 HydrophobicContact CB-CB 4.32Å; R638-L683 HydrophobicContact CB-CD1 4.5Å; R638-L683 HydrophobicContact CG-CB 3.96Å; R638-L683 PolarHBondContact NH1-O 3.34Å; R638-L683 VanDerWaalsContact NH1-O 3.1Å; R638-L683 PolarHBondContact NH2-O 3.45Å; A647-L683 HydrophobicContact CB-CD1 3.92Å; I655-L683 HydrophobicContact CD1-CD2 3.6Å; I655-L683 HydrophobicContact CG1-CD2 4Å; I655-L683 HydrophobicContact CG2-CD1 3.83Å; I655-L683 HydrophobicContact CG2-CD2 4.06Å; I680-L683 HydrophobicContact CG2-CD2 3.94Å; I680-L683 HydrophobicContact CG2-CG 4.3Å; L683-I692 HydrophobicContact CD2-CG2 4.06Å; L683-M693 WeakPolarHBondContact CA-O 3.42Å; L683-S694 VanDerWaalsContact CD2-CB 3.44Å; L683-T728 PolarHBondContact O-OG1 3.45Å; L683-T728 VanDerWaalsContact O-OG1 3.13Å
684	D	98.7	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.5	166.9	-72.5	-59.8	0	0	0	110.1	R638 I692 M693 W724 T726 Y727 T728 C729	R638-D684 IonicContact CZ-OD1 2.67Å; R638-D684 IonicContact NH2-OD1 3.57Å; R638-D684 PolarHBondContact NH2-OD1 2.89Å; D684-I692 WeakPolarHBondContact O-CA 3.22Å; D684-M693 HydrophobicContact CB-CE 3.93Å; D684-M693 PolarHBondContact N-O 3.33Å; D684-M693 PolarHBondContact O-N 3.43Å; D684-W724 HydrophobicContact CB-CE3 4.49Å; D684-T726 VanDerWaalsContact OD1-C 3.3Å; D684-T726 VanDerWaalsContact OD1-CB 3.26Å; D684-T726 WeakPolarHBondContact OD1-CB 3.23Å; D684-T726 PolarHBondContact OD1-OG1 3Å; D684-Y727 WeakPolarHBondContact OD2-CA 3.38Å; D684-T728 VanDerWaalsContact CG-N 3.32Å; D684-T728 PolarHBondContact OD1-N 2.83Å; D684-T728 PolarHBondContact OD1-OG1 2.83Å; D684-T728 PolarHBondContact OD2-N 3.01Å; D684-T728 PolarHBondContact OD2-OG1 2.74Å; D684-C729 WeakPolarHBondContact OD2-CB 3.47Å; D684-C729 PolarHBondContact OD2-N 3.42Å; D684-C729 PolarHBondContact OD2-SG 3.03Å
685	W	98.7	Very high	97.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	150.5	177	-76.3	94.9	0	0	0	112.1	R638 F639 M645 A647 L657 N689 I692 I706 A725	R638-W685 PolarHBondContact O-NE1 3.07Å; F639-W685 VanDerWaalsContact C-NE1 3.34Å; F639-W685 PolarHBondContact O-NE1 2.78Å; M645-W685 HydrophobicContact CB-CH2 3.54Å; M645-W685 HydrophobicContact CB-CZ2 3.75Å; M645-W685 HydrophobicContact CG-CH2 4.05Å; A647-W685 HydrophobicContact CB-CZ2 4.01Å; L657-W685 HydrophobicContact CD1-CH2 3.78Å; L657-W685 HydrophobicContact CD1-CZ2 3.87Å; W685-N689 WeakPolarHBondContact CZ3-O 3.48Å; W685-I692 HydrophobicContact CD2-CD1 4.01Å; W685-I692 HydrophobicContact CD2-CG1 3.68Å; W685-I692 HydrophobicContact CE3-CD1 4.14Å; W685-I692 HydrophobicContact CE3-CG1 3.63Å; W685-I692 HydrophobicContact CG-CG1 4.31Å; W685-I692 HydrophobicContact CH2-CD1 3.85Å; W685-I692 HydrophobicContact CH2-CG1 4.23Å; W685-I692 HydrophobicContact CZ2-CD1 3.69Å; W685-I692 HydrophobicContact CZ2-CG1 4.27Å; W685-I692 HydrophobicContact CZ3-CD1 4.06Å; W685-I692 HydrophobicContact CZ3-CG1 3.92Å; W685-I706 HydrophobicContact CH2-CG1 4.29Å; W685-I706 HydrophobicContact CH2-CG2 4.31Å; W685-I706 HydrophobicContact CZ3-CB 4.42Å; W685-I706 HydrophobicContact CZ3-CG1 3.9Å; W685-I706 HydrophobicContact CZ3-CG2 4.4Å; W685-A725 WeakPolarHBondContact O-CB 3.37Å; W685-A725 PolarHBondContact O-N 3.12Å
686	S	98.3	Very high	97.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	14%	0.136	C	C	.	.			trans	-72.8	151.2	165.9	65.6	0	0	0	0	111.1	D688 N689 K690 F691	S686-D688 VanDerWaalsContact CB-OD1 3.3Å; S686-D688 WeakPolarHBondContact CB-OD1 3.27Å; S686-D688 PolarHBondContact O-N 2.91Å; S686-D688 VanDerWaalsContact O-N 3.09Å; S686-D688 PolarHBondContact OG-OD1 3.27Å; S686-N689 PolarHBondContact O-N 3.14Å; S686-K690 PolarHBondContact OG-N 2.94Å; S686-F691 PolarHBondContact N-O 3.1Å; S686-F691 PolarHBondContact OG-N 3.11Å; S686-F691 PolarHBondContact OG-O 2.84Å
687	P	97.1	Very high	97.8	Very high	66 Å²	66	25.4 Å²	25.4	43%	0.429	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.3	-178.8	-23.6	34	0	0	0	115	D723 A725	P687-D723 WeakPolarHBondContact CD-O 3.4Å; P687-D723 WeakPolarHBondContact CG-O 3.37Å; P687-A725 HydrophobicContact CG-CB 4.18Å
688	D	97	Very high	97.6	Very high	71 Å²	71	24.4 Å²	24.4	38%	0.38	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	9	177.9	73.1	-22.9	0	0	0	113.4	S686 K690	S686-D688 VanDerWaalsContact CB-OD1 3.3Å; S686-D688 WeakPolarHBondContact CB-OD1 3.27Å; S686-D688 PolarHBondContact O-N 2.91Å; S686-D688 VanDerWaalsContact O-N 3.09Å; S686-D688 PolarHBondContact OG-OD1 3.27Å; D688-K690 PolarHBondContact O-N 3.25Å; D688-K690 PolarHBondContact OD1-N 2.74Å; D688-K690 WeakPolarHBondContact OD2-CD 3.26Å; D688-K690 WeakPolarHBondContact OD2-CG 3.42Å; D688-K690 IonicContact OD2-NZ 3.17Å; D688-K690 PolarHBondContact OD2-NZ 2.69Å
689	N	97.4	Very high	97.4	Very high	21 Å²	21	24.9 Å²	24.9	11%	0.112	13%	0.126	C	C	.	.	S	Bend	trans	57.5	18.3	175.9	-52.7	-43.6	0	0	0	115.2	V641 D642 W685 S686	V641-N689 WeakPolarHBondContact CB-OD1 3.22Å; V641-N689 WeakPolarHBondContact CG2-OD1 3.42Å; V641-N689 PolarHBondContact N-OD1 3.47Å; D642-N689 PolarHBondContact N-ND2 3.28Å; D642-N689 PolarHBondContact OD1-ND2 3.36Å; D642-N689 PolarHBondContact OD2-ND2 2.94Å; W685-N689 WeakPolarHBondContact CZ3-O 3.48Å; S686-N689 PolarHBondContact O-N 3.14Å
690	K	97.1	Very high	97.2	Very high	73 Å²	73	22.7 Å²	22.7	32%	0.317	12%	0.119	S	C	.	.	S	Bend	trans	-87.5	-32.4	177.2	-60.5	-159.1	-168.4	82.5	0	113.5	S686 D688 I706 Q707	S686-K690 PolarHBondContact OG-N 2.94Å; D688-K690 PolarHBondContact O-N 3.25Å; D688-K690 PolarHBondContact OD1-N 2.74Å; D688-K690 WeakPolarHBondContact OD2-CD 3.26Å; D688-K690 WeakPolarHBondContact OD2-CG 3.42Å; D688-K690 IonicContact OD2-NZ 3.17Å; D688-K690 PolarHBondContact OD2-NZ 2.69Å; K690-I706 WeakPolarHBondContact O-CB 3.38Å; K690-I706 PolarHBondContact O-N 3.34Å; K690-Q707 HydrophobicContact CG-CG 4.25Å
691	F	98.3	Very high	97.1	Very high	45 Å²	45	22.7 Å²	22.7	20%	0.197	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.3	-169.2	-51.5	-69.7	0	0	0	112.8	S686 W704 D705 I713 I722 W724	S686-F691 PolarHBondContact N-O 3.1Å; S686-F691 PolarHBondContact OG-N 3.11Å; S686-F691 PolarHBondContact OG-O 2.84Å; F691-W704 WeakPolarHBondContact CA-O 3.41Å; F691-D705 HydrophobicContact CD1-CB 4.27Å; F691-D705 HydrophobicContact CE1-CB 4.13Å; F691-I713 HydrophobicContact CD1-CD1 3.68Å; F691-I713 HydrophobicContact CE1-CD1 3.89Å; F691-I722 HydrophobicContact CB-CD1 4.34Å; F691-I722 HydrophobicContact CD2-CD1 3.84Å; F691-I722 HydrophobicContact CE2-CD1 4.4Å; F691-I722 HydrophobicContact CG-CD1 4.12Å; F691-W724 HydrophobicContact CB-CH2 3.87Å; F691-W724 HydrophobicContact CB-CZ3 4.08Å
692	I	98.6	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.8	167.6	-66	-179.9	0	0	0	108.8	A647 L657 L683 D684 W685 Y703 W704 I706	A647-I692 HydrophobicContact CB-CD1 3.77Å; L657-I692 HydrophobicContact CD1-CD1 4.12Å; L683-I692 HydrophobicContact CD2-CG2 4.06Å; D684-I692 WeakPolarHBondContact O-CA 3.22Å; W685-I692 HydrophobicContact CD2-CD1 4.01Å; W685-I692 HydrophobicContact CD2-CG1 3.68Å; W685-I692 HydrophobicContact CE3-CD1 4.14Å; W685-I692 HydrophobicContact CE3-CG1 3.63Å; W685-I692 HydrophobicContact CG-CG1 4.31Å; W685-I692 HydrophobicContact CH2-CD1 3.85Å; W685-I692 HydrophobicContact CH2-CG1 4.23Å; W685-I692 HydrophobicContact CZ2-CD1 3.69Å; W685-I692 HydrophobicContact CZ2-CG1 4.27Å; W685-I692 HydrophobicContact CZ3-CD1 4.06Å; W685-I692 HydrophobicContact CZ3-CG1 3.92Å; I692-Y703 CarbonylContact O-C 3.57Å; I692-Y703 VanDerWaalsContact O-CA 3.3Å; I692-Y703 WeakPolarHBondContact O-CA 3.18Å; I692-W704 HydrophobicContact CB-CB 4.42Å; I692-W704 PolarHBondContact N-O 3.47Å; I692-W704 VanDerWaalsContact N-O 3.1Å; I692-W704 PolarHBondContact O-N 3.03Å; I692-I706 HydrophobicContact CB-CD1 4.4Å; I692-I706 HydrophobicContact CD1-CD1 3.77Å; I692-I706 HydrophobicContact CD1-CG1 4.09Å; I692-I706 HydrophobicContact CG1-CD1 3.98Å; I692-I706 HydrophobicContact CG1-CG1 3.97Å
693	M	98.6	Very high	97.2	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.6	159.5	175.2	173.2	53.6	0	0	108.1	L683 D684 I701 Y703 W724 Y727 C729	L683-M693 WeakPolarHBondContact CA-O 3.42Å; D684-M693 HydrophobicContact CB-CE 3.93Å; D684-M693 PolarHBondContact N-O 3.33Å; D684-M693 PolarHBondContact O-N 3.43Å; M693-I701 HydrophobicContact CG-CG2 4.25Å; M693-I701 HydrophobicContact SD-CG2 4.37Å; M693-Y703 HydrophobicContact CB-CD1 3.8Å; M693-Y703 HydrophobicContact CB-CE1 3.8Å; M693-Y703 HydrophobicContact CG-CD1 4Å; M693-Y703 HydrophobicContact CG-CE1 3.61Å; M693-Y703 HydrophobicContact SD-CE1 3.84Å; M693-W724 HydrophobicContact CB-CD2 3.94Å; M693-W724 HydrophobicContact CB-CE3 3.83Å; M693-W724 HydrophobicContact CB-CH2 3.76Å; M693-W724 HydrophobicContact CB-CZ2 3.83Å; M693-W724 HydrophobicContact CB-CZ3 3.75Å; M693-W724 HydrophobicContact CE-CD2 4.07Å; M693-W724 HydrophobicContact CE-CG 3.89Å; M693-Y727 HydrophobicContact CE-CD1 4.43Å; M693-Y727 HydrophobicContact CE-CE1 4.43Å; M693-C729 HydrophobicContact CE-CB 3.77Å; M693-C729 HydrophobicContact CG-CB 4.49Å; M693-C729 HydrophobicContact SD-CB 4.28Å
694	S	98.6	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.8	173.2	66.8	0	0	0	0	114.2	I655 H676 H682 L683 L702 W704	I655-S694 WeakPolarHBondContact CD1-OG 3.23Å; H676-S694 PolarHBondContact NE2-OG 3.05Å; H682-S694 VanDerWaalsContact O-CA 3.31Å; H682-S694 WeakPolarHBondContact O-CA 3.37Å; L683-S694 VanDerWaalsContact CD2-CB 3.44Å; S694-L702 PolarHBondContact N-O 3Å; S694-L702 PolarHBondContact O-N 3.39Å; S694-L702 VanDerWaalsContact O-N 3.16Å; S694-W704 PolarHBondContact OG-NE1 3.24Å
695	N	98.1	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	156.2	174.1	-64.9	171.4	0	0	0	110.2	T681 H682 E700 C729 V730 L731	T681-N695 PolarHBondContact N-O 3.23Å; T681-N695 WeakPolarHBondContact OG1-CB 3.45Å; T681-N695 PolarHBondContact OG1-O 3Å; H682-N695 HydrophobicContact CB-CB 4.34Å; H682-N695 PolarHBondContact O-N 3.43Å; N695-E700 WeakPolarHBondContact CA-O 3.4Å; N695-C729 VanDerWaalsContact OD1-CA 3.25Å; N695-C729 WeakPolarHBondContact OD1-CA 3.32Å; N695-C729 WeakPolarHBondContact OD1-CB 3.47Å; N695-V730 PolarHBondContact OD1-N 2.84Å; N695-V730 VanDerWaalsContact OD1-N 3.14Å; N695-L731 PolarHBondContact ND2-O 3.33Å; N695-L731 WeakPolarHBondContact OD1-CB 3.34Å; N695-L731 PolarHBondContact OD1-N 3.37Å
696	S	97	Very high	97.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.8	176.7	59.7	0	0	0	0	112.6	H676 Y679 D698 Y699	H676-S696 PolarHBondContact CE1-OG 3.34Å; H676-S696 VanDerWaalsContact CE1-OG 3.29Å; H676-S696 VanDerWaalsContact ND1-CB 3.29Å; H676-S696 WeakPolarHBondContact ND1-CB 3.22Å; H676-S696 PolarHBondContact ND1-OG 2.89Å; Y679-S696 CarbonylContact O-C 3.55Å; Y679-S696 WeakPolarHBondContact O-CA 3.44Å; Y679-S696 WeakPolarHBondContact O-CB 3.47Å; S696-D698 PolarHBondContact O-N 2.8Å; S696-Y699 WeakPolarHBondContact O-CA 3.49Å; S696-Y699 PolarHBondContact O-N 2.8Å
697	G	95.4	Very high	96.8	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.5	176.8	0	0	0	0	0	115.6	Y679 Y699	Y679-G697 PolarHBondContact O-N 2.91Å; G697-Y699 VanDerWaalsContact C-N 3.31Å
698	D	92.3	Very high	96.6	Very high	50 Å²	50	30.4 Å²	30.4	27%	0.267	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.5	172.7	-110.6	46.1	0	0	0	113.3	R188 S678 S696 E700	R188-D698 VanDerWaalsContact CD-O 3.32Å; R188-D698 WeakPolarHBondContact CD-O 3.39Å; R188-D698 IonicContact CZ-OD2 2.67Å; R188-D698 PolarHBondContact NE-O 2.91Å; R188-D698 VanDerWaalsContact NH1-CG 3.28Å; R188-D698 PolarHBondContact NH1-O 2.9Å; R188-D698 IonicContact NH1-OD2 2.71Å; R188-D698 PolarHBondContact NH1-OD2 2.93Å; R188-D698 IonicContact NH2-OD2 3.68Å; R188-D698 PolarHBondContact NH2-OD2 2.79Å; S678-D698 WeakPolarHBondContact CB-OD1 3.48Å; S696-D698 PolarHBondContact O-N 2.8Å; D698-E700 VanDerWaalsContact C-N 3.34Å; D698-E700 HydrophobicContact CB-CG 3.75Å
699	Y	93.6	Very high	96.3	Very high	28 Å²	28	29.5 Å²	29.5	11%	0.11	16%	0.158	C	C	.	.			trans	65.5	30.9	-175.5	-35.1	-63.9	0	0	0	114.6	M185 R186 I190 S696 G697 D744 G745	M185-Y699 HydrophobicContact CB-CD2 4.31Å; M185-Y699 HydrophobicContact CB-CG 4.41Å; R186-Y699 PolarHBondContact NH1-OH 2.79Å; I190-Y699 HydrophobicContact CD1-CG 4.45Å; S696-Y699 WeakPolarHBondContact O-CA 3.49Å; S696-Y699 PolarHBondContact O-N 2.8Å; G697-Y699 VanDerWaalsContact C-N 3.31Å; Y699-D744 PolarHBondContact OH-O 3.19Å; Y699-G745 WeakPolarHBondContact CE1-O 3.46Å
700	E	93.4	Very high	96.2	Very high	40 Å²	40	28.9 Å²	28.9	19%	0.187	16%	0.156	C	C	.	.			trans	-86.8	132.7	178	-39.8	-153.5	96.3	0	0	110.2	R188 H676 S677 N695 D698 L702	R188-E700 IonicContact CZ-OE1 2.62Å; R188-E700 IonicContact NH2-OE1 3.25Å; R188-E700 PolarHBondContact NH2-OE1 2.75Å; H676-E700 PolarHBondContact CE1-O 2.97Å; S677-E700 WeakPolarHBondContact CB-OE2 3.44Å; S677-E700 PolarHBondContact N-OE2 3.44Å; S677-E700 VanDerWaalsContact N-OE2 3.1Å; S677-E700 PolarHBondContact OG-OE2 2.88Å; N695-E700 WeakPolarHBondContact CA-O 3.4Å; D698-E700 VanDerWaalsContact C-N 3.34Å; D698-E700 HydrophobicContact CB-CG 3.75Å; E700-L702 HydrophobicContact CB-CG 4.35Å
701	I	97.4	Very high	96.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.2	166.5	-50.6	169.8	0	0	0	106.4	I190 M192 M693 Y703 R716 L731	I190-I701 HydrophobicContact CG2-CD1 3.85Å; I190-I701 HydrophobicContact CG2-CG1 4.28Å; M192-I701 HydrophobicContact CG-CD1 3.65Å; M192-I701 HydrophobicContact SD-CD1 4.32Å; M693-I701 HydrophobicContact CG-CG2 4.25Å; M693-I701 HydrophobicContact SD-CG2 4.37Å; I701-Y703 HydrophobicContact CG2-CE1 4.19Å; I701-Y703 HydrophobicContact CG2-CE2 4.22Å; I701-R716 WeakPolarHBondContact O-CD 3.23Å; I701-R716 PolarHBondContact O-NH1 3.19Å; I701-L731 HydrophobicContact CD1-CB 3.88Å; I701-L731 WeakPolarHBondContact CD1-O 3.39Å; I701-L731 HydrophobicContact CG1-CB 3.67Å
702	L	98.3	Very high	96.1	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	154	176.5	-60	-172.3	0	0	0	110.3	H676 S694 E700 W704 L712	H676-L702 HydrophobicContact CB-CD1 4.38Å; S694-L702 PolarHBondContact N-O 3Å; S694-L702 PolarHBondContact O-N 3.39Å; S694-L702 VanDerWaalsContact O-N 3.16Å; E700-L702 HydrophobicContact CB-CG 4.35Å; L702-W704 HydrophobicContact CB-CZ2 3.97Å; L702-W704 HydrophobicContact CD1-CH2 4.2Å; L702-W704 HydrophobicContact CD1-CZ2 3.77Å; L702-L712 HydrophobicContact CB-CD1 3.9Å; L702-L712 HydrophobicContact CD1-CD1 4.05Å; L702-L712 HydrophobicContact CD2-CD1 4.19Å; L702-L712 HydrophobicContact CG-CD1 4.27Å
703	Y	98.6	Very high	96	Very high	22 Å²	22	33 Å²	33	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142	179.3	-54.9	-76	0	0	0	110.4	I692 M693 I701 I713 R716 C719 W724	I692-Y703 CarbonylContact O-C 3.57Å; I692-Y703 VanDerWaalsContact O-CA 3.3Å; I692-Y703 WeakPolarHBondContact O-CA 3.18Å; M693-Y703 HydrophobicContact CB-CD1 3.8Å; M693-Y703 HydrophobicContact CB-CE1 3.8Å; M693-Y703 HydrophobicContact CG-CD1 4Å; M693-Y703 HydrophobicContact CG-CE1 3.61Å; M693-Y703 HydrophobicContact SD-CE1 3.84Å; I701-Y703 HydrophobicContact CG2-CE1 4.19Å; I701-Y703 HydrophobicContact CG2-CE2 4.22Å; Y703-I713 PolarHBondContact O-N 3.48Å; Y703-R716 HydrophobicContact CD2-CB 4.1Å; Y703-R716 HydrophobicContact CD2-CG 4.06Å; Y703-R716 HydrophobicContact CE2-CB 3.98Å; Y703-R716 HydrophobicContact CE2-CG 4.29Å; Y703-C719 WeakPolarHBondContact CB-SG 3.39Å; Y703-C719 HydrophobicContact CD1-CB 3.87Å; Y703-C719 HydrophobicContact CD2-CB 3.54Å; Y703-C719 HydrophobicContact CE1-CB 4.05Å; Y703-C719 HydrophobicContact CE2-CB 3.72Å; Y703-C719 HydrophobicContact CG-CB 3.61Å; Y703-C719 VanDerWaalsContact CG-SG 3.57Å; Y703-W724 AromaticContact CD1-CH2 3.82Å; Y703-W724 HydrophobicContact CD1-CH2 3.82Å; Y703-W724 AromaticContact CD1-CZ2 3.51Å; Y703-W724 HydrophobicContact CD1-CZ2 3.51Å; Y703-W724 HydrophobicContact CE1-CH2 4.31Å; Y703-W724 AromaticContact CE1-CZ2 3.57Å; Y703-W724 HydrophobicContact CE1-CZ2 3.57Å
704	W	98.6	Very high	95.8	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.3	-170.5	-49.9	88.8	0	0	0	110.8	C673 H676 F691 I692 S694 L702 I706 Q711 L712	C673-W704 HydrophobicContact CB-CD2 3.59Å; C673-W704 HydrophobicContact CB-CE3 3.46Å; C673-W704 VanDerWaalsContact CB-CE3 3.46Å; C673-W704 HydrophobicContact CB-CG 4.2Å; C673-W704 HydrophobicContact CB-CH2 4.09Å; C673-W704 HydrophobicContact CB-CZ2 4.21Å; C673-W704 HydrophobicContact CB-CZ3 3.72Å; H676-W704 AromaticContact CD2-CZ2 3.92Å; F691-W704 WeakPolarHBondContact CA-O 3.41Å; I692-W704 HydrophobicContact CB-CB 4.42Å; I692-W704 PolarHBondContact N-O 3.47Å; I692-W704 VanDerWaalsContact N-O 3.1Å; I692-W704 PolarHBondContact O-N 3.03Å; S694-W704 PolarHBondContact OG-NE1 3.24Å; L702-W704 HydrophobicContact CB-CZ2 3.97Å; L702-W704 HydrophobicContact CD1-CH2 4.2Å; L702-W704 HydrophobicContact CD1-CZ2 3.77Å; W704-I706 HydrophobicContact CB-CD1 3.94Å; W704-Q711 CarbonylContact C-O 3.57Å; W704-Q711 WeakPolarHBondContact CA-O 3.27Å; W704-L712 HydrophobicContact CD2-CD1 4.38Å; W704-L712 HydrophobicContact CE3-CB 3.98Å; W704-L712 HydrophobicContact CE3-CD1 4.18Å; W704-L712 HydrophobicContact CH2-CB 4.31Å; W704-L712 HydrophobicContact CH2-CD1 3.91Å; W704-L712 HydrophobicContact CZ2-CD1 4.11Å; W704-L712 HydrophobicContact CZ3-CB 3.64Å; W704-L712 HydrophobicContact CZ3-CD1 3.95Å; W704-L712 HydrophobicContact CZ3-CG 4.28Å
705	D	97.7	Very high	95.6	Very high	26 Å²	26	47.2 Å²	47.2	14%	0.139	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.8	168.3	-172.4	-36.3	0	0	0	108.9	F691 Q707 N708 C710 Q711 I713	F691-D705 HydrophobicContact CD1-CB 4.27Å; F691-D705 HydrophobicContact CE1-CB 4.13Å; D705-Q707 PolarHBondContact OD1-N 2.89Å; D705-Q707 VanDerWaalsContact OD1-N 3.14Å; D705-N708 HydrophobicContact CB-CB 4.37Å; D705-N708 WeakPolarHBondContact OD1-CB 3.35Å; D705-N708 PolarHBondContact OD1-N 2.91Å; D705-N708 PolarHBondContact OD1-ND2 3.38Å; D705-N708 PolarHBondContact OD2-ND2 3.22Å; D705-C710 CarbonylContact O-C 3.48Å; D705-C710 WeakPolarHBondContact O-CA 3.47Å; D705-C710 PolarHBondContact O-N 3.17Å; D705-Q711 PolarHBondContact N-O 2.9Å; D705-Q711 PolarHBondContact O-N 3.2Å; D705-I713 HydrophobicContact CB-CD1 4.23Å; D705-I713 HydrophobicContact CB-CG1 4.19Å
706	I	97.3	Very high	95.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	-80.3	-36.5	-175	-52.6	-53.2	0	0	0	110.8	L657 Y670 W685 K690 I692 W704 G709 C710	L657-I706 HydrophobicContact CD1-CG2 4.35Å; L657-I706 HydrophobicContact CG-CD1 4.44Å; L657-I706 HydrophobicContact CG-CG2 4.46Å; Y670-I706 HydrophobicContact CD1-CG2 4.35Å; Y670-I706 HydrophobicContact CE1-CG2 3.74Å; Y670-I706 WeakPolarHBondContact CE1-O 3.25Å; Y670-I706 PolarHBondContact OH-O 2.89Å; W685-I706 HydrophobicContact CH2-CG1 4.29Å; W685-I706 HydrophobicContact CH2-CG2 4.31Å; W685-I706 HydrophobicContact CZ3-CB 4.42Å; W685-I706 HydrophobicContact CZ3-CG1 3.9Å; W685-I706 HydrophobicContact CZ3-CG2 4.4Å; K690-I706 WeakPolarHBondContact O-CB 3.38Å; K690-I706 PolarHBondContact O-N 3.34Å; I692-I706 HydrophobicContact CB-CD1 4.4Å; I692-I706 HydrophobicContact CD1-CD1 3.77Å; I692-I706 HydrophobicContact CD1-CG1 4.09Å; I692-I706 HydrophobicContact CG1-CD1 3.98Å; I692-I706 HydrophobicContact CG1-CG1 3.97Å; W704-I706 HydrophobicContact CB-CD1 3.94Å; I706-G709 PolarHBondContact O-N 3.4Å; I706-C710 PolarHBondContact O-N 2.89Å
707	Q	92.8	Very high	95.2	Very high	117 Å²	117	51.8 Å²	51.8	55%	0.547	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-35.6	-178.8	-66.9	-166.5	-17.4	0	0	112.1	K690 D705 G709	K690-Q707 HydrophobicContact CG-CG 4.25Å; D705-Q707 PolarHBondContact OD1-N 2.89Å; D705-Q707 VanDerWaalsContact OD1-N 3.14Å; Q707-G709 PolarHBondContact O-N 2.98Å
708	N	91.9	Very high	95.1	Very high	104 Å²	104	57.5 Å²	57.5	56%	0.556	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	23.3	172.7	-70.3	-60.6	0	0	0	113.5	D705 Q711	D705-N708 HydrophobicContact CB-CB 4.37Å; D705-N708 WeakPolarHBondContact OD1-CB 3.35Å; D705-N708 PolarHBondContact OD1-N 2.91Å; D705-N708 PolarHBondContact OD1-ND2 3.38Å; D705-N708 PolarHBondContact OD2-ND2 3.22Å; N708-Q711 WeakPolarHBondContact O-CG 3.37Å; N708-Q711 PolarHBondContact O-NE2 2.92Å
709	G	90.8	Very high	95.2	Very high	51 Å²	51	55.3 Å²	55.3	53%	0.526	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	44.4	171.3	0	0	0	0	0	114.8	I706 Q707 Q711	I706-G709 PolarHBondContact O-N 3.4Å; Q707-G709 PolarHBondContact O-N 2.98Å; G709-Q711 VanDerWaalsContact C-N 3.3Å; G709-Q711 PolarHBondContact O-N 2.82Å
710	C	95.6	Very high	95.3	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.061	27%	0.272	C	S	.	.	S	Bend	trans	57.6	36	178.8	-56.4	0	0	0	0	114.2	K672 D705 I706	K672-C710 WeakPolarHBondContact O-CB 3.38Å; D705-C710 CarbonylContact O-C 3.48Å; D705-C710 WeakPolarHBondContact O-CA 3.47Å; D705-C710 PolarHBondContact O-N 3.17Å; I706-C710 PolarHBondContact O-N 2.89Å
711	Q	96.3	Very high	95.4	Very high	121 Å²	121	57.5 Å²	57.5	57%	0.565	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	142.8	-175.2	-74.8	-171.2	61.5	0	0	112.8	W704 D705 N708 G709 I713	W704-Q711 CarbonylContact C-O 3.57Å; W704-Q711 WeakPolarHBondContact CA-O 3.27Å; D705-Q711 PolarHBondContact N-O 2.9Å; D705-Q711 PolarHBondContact O-N 3.2Å; N708-Q711 WeakPolarHBondContact O-CG 3.37Å; N708-Q711 PolarHBondContact O-NE2 2.92Å; G709-Q711 VanDerWaalsContact C-N 3.3Å; G709-Q711 PolarHBondContact O-N 2.82Å; Q711-I713 PolarHBondContact O-N 3.12Å
712	L	97.8	Very high	95.4	Very high	59 Å²	59	58.9 Å²	58.9	31%	0.309	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118.5	175.7	178.2	59.8	0	0	0	111.4	L702 W704 R714	L702-L712 HydrophobicContact CB-CD1 3.9Å; L702-L712 HydrophobicContact CD1-CD1 4.05Å; L702-L712 HydrophobicContact CD2-CD1 4.19Å; L702-L712 HydrophobicContact CG-CD1 4.27Å; W704-L712 HydrophobicContact CD2-CD1 4.38Å; W704-L712 HydrophobicContact CE3-CB 3.98Å; W704-L712 HydrophobicContact CE3-CD1 4.18Å; W704-L712 HydrophobicContact CH2-CB 4.31Å; W704-L712 HydrophobicContact CH2-CD1 3.91Å; W704-L712 HydrophobicContact CZ2-CD1 4.11Å; W704-L712 HydrophobicContact CZ3-CB 3.64Å; W704-L712 HydrophobicContact CZ3-CD1 3.95Å; W704-L712 HydrophobicContact CZ3-CG 4.28Å; L712-R714 PolarHBondContact O-N 2.8Å; L712-R714 VanDerWaalsContact O-N 3.1Å
713	I	97.3	Very high	95.2	Very high	24 Å²	24	61.1 Å²	61.1	12%	0.123	30%	0.304	C	S	.	.			trans	-74.6	101	174	-57.2	172.7	0	0	0	108.6	F691 Y703 D705 Q711	F691-I713 HydrophobicContact CD1-CD1 3.68Å; F691-I713 HydrophobicContact CE1-CD1 3.89Å; Y703-I713 PolarHBondContact O-N 3.48Å; D705-I713 HydrophobicContact CB-CD1 4.23Å; D705-I713 HydrophobicContact CB-CG1 4.19Å; Q711-I713 PolarHBondContact O-N 3.12Å
714	R	94.3	Very high	95.1	Very high	232 Å²	232	60.4 Å²	60.4	88%	0.875	30%	0.302	S	S	*	.	S	Bend	trans	-68.4	-38.2	-175	-62.7	-174.6	-179.6	-163	-1	112.7	L712 R716	L712-R714 PolarHBondContact O-N 2.8Å; L712-R714 VanDerWaalsContact O-N 3.1Å; R714-R716 PolarHBondContact O-N 2.91Å
715	N	93.9	Very high	95.1	Very high	70 Å²	70	61.7 Å²	61.7	37%	0.374	31%	0.313	S	S	.	.			trans	-88.7	83.7	177.3	179.9	17.2	0	0	0	110.6	S717 E718	N715-S717 PolarHBondContact ND2-OG 3.35Å; N715-S717 PolarHBondContact O-N 3.38Å; N715-S717 PolarHBondContact OD1-N 3.4Å; N715-S717 PolarHBondContact OD1-OG 2.82Å; N715-E718 HydrophobicContact CB-CG 4.34Å; N715-E718 WeakPolarHBondContact CB-OE1 3.47Å; N715-E718 VanDerWaalsContact ND2-CD 3.35Å; N715-E718 PolarHBondContact ND2-OE1 3.43Å; N715-E718 WeakPolarHBondContact O-CB 3.26Å; N715-E718 PolarHBondContact O-N 2.86Å
716	R	93.6	Very high	95	Very high	64 Å²	64	63 Å²	63	24%	0.242	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-10.8	-179.2	-61.5	-168	-59.8	153.5	8.7	115.6	T191 F193 I701 Y703 R714	T191-R716 PolarHBondContact O-NH2 3.34Å; F193-R716 HydrophobicContact CD2-CB 4.31Å; F193-R716 HydrophobicContact CE2-CB 3.8Å; I701-R716 WeakPolarHBondContact O-CD 3.23Å; I701-R716 PolarHBondContact O-NH1 3.19Å; Y703-R716 HydrophobicContact CD2-CB 4.1Å; Y703-R716 HydrophobicContact CD2-CG 4.06Å; Y703-R716 HydrophobicContact CE2-CB 3.98Å; Y703-R716 HydrophobicContact CE2-CG 4.29Å; R714-R716 PolarHBondContact O-N 2.91Å
717	S	92.2	Very high	95	Very high	34 Å²	34	63 Å²	63	24%	0.238	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-24	172.8	70.2	0	0	0	0	113.3	N715 C719 K720	N715-S717 PolarHBondContact ND2-OG 3.35Å; N715-S717 PolarHBondContact O-N 3.38Å; N715-S717 PolarHBondContact OD1-N 3.4Å; N715-S717 PolarHBondContact OD1-OG 2.82Å; S717-C719 PolarHBondContact O-N 2.88Å; S717-K720 WeakPolarHBondContact O-CB 3.22Å; S717-K720 WeakPolarHBondContact O-CD 3.32Å; S717-K720 WeakPolarHBondContact O-CG 3.48Å; S717-K720 PolarHBondContact O-N 3.12Å
718	E	93.7	Very high	95.3	Very high	131 Å²	131	58.5 Å²	58.5	61%	0.612	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.7	175.5	-72.3	155.1	-164.5	0	0	112.4	N715	N715-E718 HydrophobicContact CB-CG 4.34Å; N715-E718 WeakPolarHBondContact CB-OE1 3.47Å; N715-E718 VanDerWaalsContact ND2-CD 3.35Å; N715-E718 PolarHBondContact ND2-OE1 3.43Å; N715-E718 WeakPolarHBondContact O-CB 3.26Å; N715-E718 PolarHBondContact O-N 2.86Å
719	C	95.4	Very high	95.6	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.02	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.1	-179.8	-58.9	0	0	0	0	113.8	Y703 S717 D721 I722	Y703-C719 WeakPolarHBondContact CB-SG 3.39Å; Y703-C719 HydrophobicContact CD1-CB 3.87Å; Y703-C719 HydrophobicContact CD2-CB 3.54Å; Y703-C719 HydrophobicContact CE1-CB 4.05Å; Y703-C719 HydrophobicContact CE2-CB 3.72Å; Y703-C719 HydrophobicContact CG-CB 3.61Å; Y703-C719 VanDerWaalsContact CG-SG 3.57Å; S717-C719 PolarHBondContact O-N 2.88Å; C719-D721 VanDerWaalsContact C-N 3.26Å; C719-D721 PolarHBondContact O-N 3.15Å; C719-I722 HydrophobicContact CB-CD1 3.95Å; C719-I722 PolarHBondContact O-N 2.86Å
720	K	94	Very high	95.9	Very high	26 Å²	26	51.5 Å²	51.5	11%	0.113	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.9	-169.1	84	-171.4	-172	62.3	0	114	F193 I194 S196 S717	F193-K720 HydrophobicContact CB-CB 3.51Å; F193-K720 HydrophobicContact CB-CD 4.04Å; F193-K720 HydrophobicContact CB-CG 4.35Å; I194-K720 WeakPolarHBondContact O-CD 3.07Å; I194-K720 PolarHBondContact O-NZ 3.3Å; S196-K720 PolarHBondContact OG-NZ 2.74Å; S717-K720 WeakPolarHBondContact O-CB 3.22Å; S717-K720 WeakPolarHBondContact O-CD 3.32Å; S717-K720 WeakPolarHBondContact O-CG 3.48Å; S717-K720 PolarHBondContact O-N 3.12Å
721	D	95.9	Very high	95.9	Very high	89 Å²	89	51.2 Å²	51.2	48%	0.476	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	11.9	-177.5	-59.7	-26.3	0	0	0	112	P195 S196 C719 D723	P195-D721 WeakPolarHBondContact CA-OD1 3.45Å; S196-D721 WeakPolarHBondContact CB-OD1 3.36Å; S196-D721 WeakPolarHBondContact CB-OD2 3.41Å; S196-D721 PolarHBondContact N-OD1 2.96Å; S196-D721 VanDerWaalsContact OG-CG 3.24Å; S196-D721 PolarHBondContact OG-OD1 3.33Å; S196-D721 VanDerWaalsContact OG-OD1 3.14Å; S196-D721 PolarHBondContact OG-OD2 3.39Å; C719-D721 VanDerWaalsContact C-N 3.26Å; C719-D721 PolarHBondContact O-N 3.15Å; D721-D723 PolarHBondContact O-N 3.11Å
722	I	96.8	Very high	95.9	Very high	30 Å²	30	45.6 Å²	45.6	15%	0.154	23%	0.225	C	C	.	.			trans	-81.3	113.5	174	-59.6	175.8	0	0	0	108.9	F691 C719 W724	F691-I722 HydrophobicContact CB-CD1 4.34Å; F691-I722 HydrophobicContact CD2-CD1 3.84Å; F691-I722 HydrophobicContact CE2-CD1 4.4Å; F691-I722 HydrophobicContact CG-CD1 4.12Å; C719-I722 HydrophobicContact CB-CD1 3.95Å; C719-I722 PolarHBondContact O-N 2.86Å; I722-W724 HydrophobicContact CB-CZ2 3.84Å; I722-W724 HydrophobicContact CD1-CH2 4Å; I722-W724 HydrophobicContact CD1-CZ2 3.79Å; I722-W724 HydrophobicContact CG1-CZ2 4.39Å; I722-W724 HydrophobicContact CG2-CD2 3.84Å; I722-W724 HydrophobicContact CG2-CE3 4.21Å; I722-W724 HydrophobicContact CG2-CG 4.29Å; I722-W724 HydrophobicContact CG2-CH2 4.07Å; I722-W724 HydrophobicContact CG2-CZ2 3.7Å; I722-W724 HydrophobicContact CG2-CZ3 4.3Å; I722-W724 PolarHBondContact O-N 2.86Å; I722-W724 PolarHBondContact O-NE1 2.87Å; I722-W724 VanDerWaalsContact O-NE1 3.15Å
723	D	94.8	Very high	95.8	Very high	67 Å²	67	43.5 Å²	43.5	36%	0.358	21%	0.213	S	C	.	.			trans	-76.7	97.3	166.4	167.9	44.2	0	0	0	109.8	P687 D721 R753 R757	P687-D723 WeakPolarHBondContact CD-O 3.4Å; P687-D723 WeakPolarHBondContact CG-O 3.37Å; D721-D723 PolarHBondContact O-N 3.11Å; D723-R753 IonicContact OD1-NH1 2.65Å; D723-R753 PolarHBondContact OD1-NH1 2.96Å; D723-R757 IonicContact OD1-CZ 2.94Å; D723-R757 IonicContact OD1-NH1 3.57Å; D723-R757 PolarHBondContact OD1-NH1 3.26Å; D723-R757 IonicContact OD1-NH2 3.55Å; D723-R757 PolarHBondContact OD1-NH2 3.27Å; D723-R757 IonicContact OD2-CZ 2.69Å; D723-R757 IonicContact OD2-NH1 3.79Å; D723-R757 PolarHBondContact OD2-NH1 3.24Å; D723-R757 IonicContact OD2-NH2 3.88Å; D723-R757 PolarHBondContact OD2-NH2 3.13Å
724	W	97.5	Very high	95.7	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.027	22%	0.215	C	C	.	.			trans	-64.1	143.1	-175.7	-60	85.8	0	0	0	111.7	D684 F691 M693 Y703 I722 T726 Y727 R753	D684-W724 HydrophobicContact CB-CE3 4.49Å; F691-W724 HydrophobicContact CB-CH2 3.87Å; F691-W724 HydrophobicContact CB-CZ3 4.08Å; M693-W724 HydrophobicContact CB-CD2 3.94Å; M693-W724 HydrophobicContact CB-CE3 3.83Å; M693-W724 HydrophobicContact CB-CH2 3.76Å; M693-W724 HydrophobicContact CB-CZ2 3.83Å; M693-W724 HydrophobicContact CB-CZ3 3.75Å; M693-W724 HydrophobicContact CE-CD2 4.07Å; M693-W724 HydrophobicContact CE-CG 3.89Å; Y703-W724 AromaticContact CD1-CH2 3.82Å; Y703-W724 HydrophobicContact CD1-CH2 3.82Å; Y703-W724 AromaticContact CD1-CZ2 3.51Å; Y703-W724 HydrophobicContact CD1-CZ2 3.51Å; Y703-W724 HydrophobicContact CE1-CH2 4.31Å; Y703-W724 AromaticContact CE1-CZ2 3.57Å; Y703-W724 HydrophobicContact CE1-CZ2 3.57Å; I722-W724 HydrophobicContact CB-CZ2 3.84Å; I722-W724 HydrophobicContact CD1-CH2 4Å; I722-W724 HydrophobicContact CD1-CZ2 3.79Å; I722-W724 HydrophobicContact CG1-CZ2 4.39Å; I722-W724 HydrophobicContact CG2-CD2 3.84Å; I722-W724 HydrophobicContact CG2-CE3 4.21Å; I722-W724 HydrophobicContact CG2-CG 4.29Å; I722-W724 HydrophobicContact CG2-CH2 4.07Å; I722-W724 HydrophobicContact CG2-CZ2 3.7Å; I722-W724 HydrophobicContact CG2-CZ3 4.3Å; I722-W724 PolarHBondContact O-N 2.86Å; I722-W724 PolarHBondContact O-NE1 2.87Å; I722-W724 VanDerWaalsContact O-NE1 3.15Å; W724-T726 VanDerWaalsContact C-N 3.29Å; W724-T726 VanDerWaalsContact CB-O 3.29Å; W724-T726 WeakPolarHBondContact CB-O 3.46Å; W724-T726 PolarHBondContact O-N 2.8Å; W724-Y727 HydrophobicContact CB-CD2 4.32Å; W724-Y727 HydrophobicContact CB-CE2 3.8Å; W724-Y727 AromaticContact CD1-CZ 3.81Å; W724-R753 PolarHBondContact O-NH2 2.94Å
725	A	97.3	Very high	95.8	Very high	29 Å²	29	33 Å²	33	24%	0.24	17%	0.174	C	C	.	.	S	Bend	trans	-62.3	-42	-175.9	0	0	0	0	0	111.1	V641 W685 P687 R753	V641-A725 HydrophobicContact CG2-CB 3.52Å; W685-A725 WeakPolarHBondContact O-CB 3.37Å; W685-A725 PolarHBondContact O-N 3.12Å; P687-A725 HydrophobicContact CG-CB 4.18Å; A725-R753 PolarHBondContact O-NH2 3.43Å
726	T	96.7	Very high	95.9	Very high	54 Å²	54	29.8 Å²	29.8	33%	0.331	16%	0.156	S	C	.	.			trans	-119.3	163.2	173	51	0	0	0	0	109.9	R638 D684 W724	R638-T726 VanDerWaalsContact NH2-CB 3.28Å; R638-T726 PolarHBondContact NH2-OG1 3.33Å; D684-T726 VanDerWaalsContact OD1-C 3.3Å; D684-T726 VanDerWaalsContact OD1-CB 3.26Å; D684-T726 WeakPolarHBondContact OD1-CB 3.23Å; D684-T726 PolarHBondContact OD1-OG1 3Å; W724-T726 VanDerWaalsContact C-N 3.29Å; W724-T726 VanDerWaalsContact CB-O 3.29Å; W724-T726 WeakPolarHBondContact CB-O 3.46Å; W724-T726 PolarHBondContact O-N 2.8Å
727	Y	97.3	Very high	95.9	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.012	15%	0.145	C	C	.	.			trans	-129.4	116.8	159	-77.6	-103	0	0	0	107.7	D684 M693 W724 H734 V735 V752 R753 Y774	D684-Y727 WeakPolarHBondContact OD2-CA 3.38Å; M693-Y727 HydrophobicContact CE-CD1 4.43Å; M693-Y727 HydrophobicContact CE-CE1 4.43Å; W724-Y727 HydrophobicContact CB-CD2 4.32Å; W724-Y727 HydrophobicContact CB-CE2 3.8Å; W724-Y727 AromaticContact CD1-CZ 3.81Å; Y727-H734 HydrophobicContact CD1-CB 4.4Å; Y727-H734 HydrophobicContact CE1-CB 3.75Å; Y727-H734 AromaticContact CE1-CD2 3.93Å; Y727-H734 AromaticContact CZ-CD2 3.85Å; Y727-H734 AromaticContact CZ-CG 3.96Å; Y727-H734 PolarHBondContact OH-CD2 2.87Å; Y727-V735 HydrophobicContact CD1-CG1 3.77Å; Y727-V735 HydrophobicContact CG-CG1 4.29Å; Y727-V752 WeakPolarHBondContact O-CA 3.35Å; Y727-R753 VanDerWaalsContact CE2-NH1 3.29Å; Y727-R753 PolarHBondContact O-N 3.47Å; Y727-R753 VanDerWaalsContact O-N 3.07Å; Y727-Y774 HydrophobicContact CD2-CE2 4.12Å; Y727-Y774 HydrophobicContact CE2-CE2 4.31Å; Y727-Y774 WeakPolarHBondContact CE2-OH 3.3Å; Y727-Y774 HydrophobicContact CG-CE2 4.32Å
728	T	98.1	Very high	96.1	Very high	22 Å²	22	25.5 Å²	25.5	14%	0.135	14%	0.136	C	C	.	.			trans	-137.8	-22.2	174.2	58.3	0	0	0	0	111.7	R638 L683 D684 V730 L751	R638-T728 PolarHBondContact NH1-OG1 2.98Å; R638-T728 VanDerWaalsContact NH2-CG2 3.34Å; R638-T728 PolarHBondContact NH2-OG1 2.84Å; L683-T728 PolarHBondContact O-OG1 3.45Å; L683-T728 VanDerWaalsContact O-OG1 3.13Å; D684-T728 VanDerWaalsContact CG-N 3.32Å; D684-T728 PolarHBondContact OD1-N 2.83Å; D684-T728 PolarHBondContact OD1-OG1 2.83Å; D684-T728 PolarHBondContact OD2-N 3.01Å; D684-T728 PolarHBondContact OD2-OG1 2.74Å; T728-V730 PolarHBondContact O-N 2.95Å; T728-V730 VanDerWaalsContact O-N 3.13Å; T728-L751 VanDerWaalsContact CA-O 3.26Å; T728-L751 WeakPolarHBondContact CA-O 3.26Å; T728-L751 WeakPolarHBondContact CB-O 3.43Å; T728-L751 WeakPolarHBondContact CG2-O 3.32Å
729	C	98.2	Very high	96.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.			trans	-54.1	112.8	159.8	-75.2	0	0	0	0	110.8	H682 D684 M693 N695 L731	H682-C729 HydrophobicContact CB-CB 4.3Å; D684-C729 WeakPolarHBondContact OD2-CB 3.47Å; D684-C729 PolarHBondContact OD2-N 3.42Å; D684-C729 PolarHBondContact OD2-SG 3.03Å; M693-C729 HydrophobicContact CE-CB 3.77Å; M693-C729 HydrophobicContact CG-CB 4.49Å; M693-C729 HydrophobicContact SD-CB 4.28Å; N695-C729 VanDerWaalsContact OD1-CA 3.25Å; N695-C729 WeakPolarHBondContact OD1-CA 3.32Å; N695-C729 WeakPolarHBondContact OD1-CB 3.47Å; C729-L731 PolarHBondContact O-N 3.24Å
730	V	96.8	Very high	95.8	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.042	13%	0.127	C	C	.	.	S	Bend	trans	-68.2	-15.9	176.4	-62.4	0	0	0	0	113.3	H682 N695 T728 W739 I748 L751	H682-V730 WeakPolarHBondContact NE2-CG2 3.25Å; N695-V730 PolarHBondContact OD1-N 2.84Å; N695-V730 VanDerWaalsContact OD1-N 3.14Å; T728-V730 PolarHBondContact O-N 2.95Å; T728-V730 VanDerWaalsContact O-N 3.13Å; V730-W739 HydrophobicContact CB-CZ2 3.87Å; V730-W739 HydrophobicContact CG2-CH2 4.45Å; V730-W739 HydrophobicContact CG2-CZ2 3.66Å; V730-W739 PolarHBondContact O-NE1 3.42Å; V730-I748 HydrophobicContact CG1-CG2 3.74Å; V730-L751 HydrophobicContact CG1-CB 3.77Å
731	L	96.3	Very high	95.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	15%	0.146	C	C	.	.	S	Bend	trans	-111.2	106	176.9	-55.8	174.8	0	0	0	110.8	M183 I190 N695 I701 C729 W739	M183-L731 HydrophobicContact CE-CD2 3.68Å; I190-L731 HydrophobicContact CD1-CD1 4.09Å; I190-L731 HydrophobicContact CD1-CD2 3.78Å; N695-L731 PolarHBondContact ND2-O 3.33Å; N695-L731 WeakPolarHBondContact OD1-CB 3.34Å; N695-L731 PolarHBondContact OD1-N 3.37Å; I701-L731 HydrophobicContact CD1-CB 3.88Å; I701-L731 WeakPolarHBondContact CD1-O 3.39Å; I701-L731 HydrophobicContact CG1-CB 3.67Å; C729-L731 PolarHBondContact O-N 3.24Å; L731-W739 HydrophobicContact CD2-CZ2 3.89Å
732	G	95.7	Very high	94.5	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	-177.5	158.9	176.2	0	0	0	0	0	113.2	M192 H734 V735 F736	M192-G732 VanDerWaalsContact SD-C 3.59Å; G732-H734 VanDerWaalsContact C-N 3.29Å; G732-H734 PolarHBondContact O-N 2.95Å; G732-V735 WeakPolarHBondContact O-CG2 3.37Å; G732-V735 PolarHBondContact O-N 3.09Å; G732-V735 VanDerWaalsContact O-N 3.1Å; G732-F736 PolarHBondContact O-N 2.85Å
733	Y	95.4	Very high	93.9	Very high	16 Å²	16	25.1 Å²	25.1	6%	0.063	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-39.1	-174.2	176	-88.3	0	0	0	113.7	I181 F193 I194 P195 V198 V735 F736 S777	I181-Y733 HydrophobicContact CD1-CD2 4.08Å; I181-Y733 HydrophobicContact CD1-CE2 3.55Å; I181-Y733 HydrophobicContact CG1-CE2 4.44Å; F193-Y733 WeakPolarHBondContact O-CD2 3.28Å; I194-Y733 HydrophobicContact CB-CE2 4.27Å; I194-Y733 HydrophobicContact CG1-CE2 3.98Å; I194-Y733 HydrophobicContact CG2-CE2 4.18Å; P195-Y733 HydrophobicContact CG-CD1 3.56Å; P195-Y733 HydrophobicContact CG-CE1 3.83Å; P195-Y733 HydrophobicContact CG-CG 4.15Å; V198-Y733 HydrophobicContact CG2-CE1 4.36Å; Y733-V735 PolarHBondContact O-N 2.95Å; Y733-F736 VanDerWaalsContact O-CD1 3.24Å; Y733-F736 WeakPolarHBondContact O-CD1 3.44Å; Y733-S777 WeakPolarHBondContact CE1-OG 3.48Å; Y733-S777 WeakPolarHBondContact O-CB 3.31Å; Y733-S777 PolarHBondContact O-OG 3.01Å
734	H	95.8	Very high	93.3	Very high	36 Å²	36	24.6 Å²	24.6	17%	0.167	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2	-176.1	-57	-95.7	0	0	0	113.7	Y727 G732 Y774 P775 C776 S777	Y727-H734 HydrophobicContact CD1-CB 4.4Å; Y727-H734 HydrophobicContact CE1-CB 3.75Å; Y727-H734 AromaticContact CE1-CD2 3.93Å; Y727-H734 AromaticContact CZ-CD2 3.85Å; Y727-H734 AromaticContact CZ-CG 3.96Å; Y727-H734 PolarHBondContact OH-CD2 2.87Å; G732-H734 VanDerWaalsContact C-N 3.29Å; G732-H734 PolarHBondContact O-N 2.95Å; H734-Y774 HydrophobicContact CB-CE2 3.81Å; H734-P775 HydrophobicContact CB-CB 4.2Å; H734-C776 PolarHBondContact O-N 2.91Å; H734-S777 WeakPolarHBondContact CA-OG 3.34Å
735	V	96.4	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.7	-20	-172.2	-53.3	0	0	0	0	114.8	Y727 G732 Y733 G737 V738 L751 I760 C776	Y727-V735 HydrophobicContact CD1-CG1 3.77Å; Y727-V735 HydrophobicContact CG-CG1 4.29Å; G732-V735 WeakPolarHBondContact O-CG2 3.37Å; G732-V735 PolarHBondContact O-N 3.09Å; G732-V735 VanDerWaalsContact O-N 3.1Å; Y733-V735 PolarHBondContact O-N 2.95Å; V735-G737 PolarHBondContact O-N 3.02Å; V735-V738 WeakPolarHBondContact O-CG1 3.25Å; V735-V738 VanDerWaalsContact O-CG2 3.3Å; V735-V738 WeakPolarHBondContact O-CG2 3.38Å; V735-V738 PolarHBondContact O-N 2.84Å; V735-L751 HydrophobicContact CB-CD1 4.07Å; V735-L751 HydrophobicContact CG1-CD1 4.45Å; V735-L751 HydrophobicContact CG1-CD2 4.15Å; V735-I760 HydrophobicContact CB-CD1 4.3Å; V735-I760 HydrophobicContact CG1-CD1 3.98Å; V735-C776 CarbonylContact C-O 3.59Å; V735-C776 VanDerWaalsContact C-O 3.3Å
736	F	95.3	Very high	92.4	Very high	1 Å²	1	26 Å²	26	0%	0.004	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-56.5	-22.5	-168.2	78.6	-90.4	0	0	0	115.6	I181 M183 M192 G732 Y733 V738 W739 S777 F779	I181-F736 HydrophobicContact CD1-CE1 3.88Å; I181-F736 HydrophobicContact CD1-CZ 3.8Å; I181-F736 HydrophobicContact CG2-CE1 4.44Å; I181-F736 HydrophobicContact CG2-CE2 4.21Å; I181-F736 HydrophobicContact CG2-CZ 3.99Å; M183-F736 HydrophobicContact CE-CB 4.37Å; M183-F736 HydrophobicContact SD-CB 4.05Å; M183-F736 HydrophobicContact SD-CD2 4.34Å; M192-F736 HydrophobicContact CE-CB 3.65Å; M192-F736 HydrophobicContact CE-CD1 3.97Å; M192-F736 HydrophobicContact CE-CD2 4.16Å; M192-F736 HydrophobicContact CE-CG 3.65Å; M192-F736 HydrophobicContact SD-CB 3.66Å; M192-F736 HydrophobicContact SD-CD1 4.15Å; M192-F736 HydrophobicContact SD-CG 4.09Å; G732-F736 PolarHBondContact O-N 2.85Å; Y733-F736 VanDerWaalsContact O-CD1 3.24Å; Y733-F736 WeakPolarHBondContact O-CD1 3.44Å; F736-V738 PolarHBondContact O-N 3.11Å; F736-V738 VanDerWaalsContact O-N 3.15Å; F736-W739 PolarHBondContact O-N 2.98Å; F736-S777 WeakPolarHBondContact CE1-O 3.47Å; F736-S777 VanDerWaalsContact CZ-O 3.24Å; F736-S777 WeakPolarHBondContact CZ-O 3.46Å; F736-F779 AromaticContact CD2-CD1 3.93Å; F736-F779 HydrophobicContact CD2-CD1 3.93Å; F736-F779 AromaticContact CD2-CE1 3.7Å; F736-F779 HydrophobicContact CD2-CE1 3.7Å; F736-F779 HydrophobicContact CD2-CZ 4.16Å; F736-F779 AromaticContact CE2-CD1 3.68Å; F736-F779 HydrophobicContact CE2-CD1 3.68Å; F736-F779 HydrophobicContact CE2-CD2 4Å; F736-F779 AromaticContact CE2-CE1 3.57Å; F736-F779 HydrophobicContact CE2-CE1 3.57Å; F736-F779 AromaticContact CE2-CE2 3.89Å; F736-F779 HydrophobicContact CE2-CE2 3.89Å; F736-F779 AromaticContact CE2-CG 3.9Å; F736-F779 HydrophobicContact CE2-CG 3.9Å; F736-F779 AromaticContact CE2-CZ 3.68Å; F736-F779 HydrophobicContact CE2-CZ 3.68Å
737	G	94.8	Very high	92.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-62.4	-15.5	177.1	0	0	0	0	0	115	V735 W739 C776 R778 A781	V735-G737 PolarHBondContact O-N 3.02Å; G737-W739 VanDerWaalsContact C-N 3.27Å; G737-W739 PolarHBondContact O-N 3.34Å; G737-C776 VanDerWaalsContact CA-O 3.31Å; G737-C776 WeakPolarHBondContact CA-O 3.49Å; G737-C776 PolarHBondContact N-O 3.21Å; G737-R778 WeakPolarHBondContact CA-O 3.35Å; G737-A781 WeakPolarHBondContact O-CB 3.4Å; G737-A781 PolarHBondContact O-N 2.97Å
738	V	96	Very high	92	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.042	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68.1	-25.5	175.8	-58.7	0	0	0	0	113.2	V735 F736 I748 L751 I760 L762 F772 C776	V735-V738 WeakPolarHBondContact O-CG1 3.25Å; V735-V738 VanDerWaalsContact O-CG2 3.3Å; V735-V738 WeakPolarHBondContact O-CG2 3.38Å; V735-V738 PolarHBondContact O-N 2.84Å; F736-V738 PolarHBondContact O-N 3.11Å; F736-V738 VanDerWaalsContact O-N 3.15Å; V738-I748 HydrophobicContact CG2-CD1 3.97Å; V738-L751 HydrophobicContact CG1-CD1 4.25Å; V738-L751 HydrophobicContact CG2-CD1 4Å; V738-I760 HydrophobicContact CG1-CD1 4.39Å; V738-L762 HydrophobicContact CB-CD1 3.69Å; V738-L762 HydrophobicContact CG1-CD1 4.29Å; V738-L762 HydrophobicContact CG2-CD1 3.75Å; V738-F772 HydrophobicContact CB-CD2 4.37Å; V738-F772 HydrophobicContact CB-CE1 4.18Å; V738-F772 HydrophobicContact CB-CE2 3.87Å; V738-F772 HydrophobicContact CB-CZ 3.75Å; V738-F772 HydrophobicContact CG1-CD1 4.15Å; V738-F772 HydrophobicContact CG1-CD2 3.74Å; V738-F772 HydrophobicContact CG1-CE1 4.16Å; V738-F772 HydrophobicContact CG1-CE2 3.76Å; V738-F772 HydrophobicContact CG1-CG 3.94Å; V738-F772 HydrophobicContact CG1-CZ 3.96Å; V738-C776 HydrophobicContact CG1-CB 4.17Å; V738-C776 PolarHBondContact N-SG 3.1Å; V738-C776 VanDerWaalsContact N-SG 3.42Å
739	W	94.5	Very high	92	Very high	12 Å²	12	25.6 Å²	25.6	5%	0.045	16%	0.159	C	C	.	.	S	Bend	trans	-69.2	127.3	-173.6	-75.9	95.9	0	0	0	111.9	M183 M185 V730 L731 F736 G737 S743 I748	M183-W739 HydrophobicContact CE-CG 3.98Å; M183-W739 HydrophobicContact SD-CB 3.99Å; M183-W739 HydrophobicContact SD-CG 4.02Å; M185-W739 HydrophobicContact CE-CD2 3.76Å; M185-W739 HydrophobicContact CE-CE3 3.38Å; M185-W739 HydrophobicContact CE-CG 4.4Å; M185-W739 HydrophobicContact CE-CH2 4.3Å; M185-W739 HydrophobicContact CE-CZ3 3.69Å; V730-W739 HydrophobicContact CB-CZ2 3.87Å; V730-W739 HydrophobicContact CG2-CH2 4.45Å; V730-W739 HydrophobicContact CG2-CZ2 3.66Å; V730-W739 PolarHBondContact O-NE1 3.42Å; L731-W739 HydrophobicContact CD2-CZ2 3.89Å; F736-W739 PolarHBondContact O-N 2.98Å; G737-W739 VanDerWaalsContact C-N 3.27Å; G737-W739 PolarHBondContact O-N 3.34Å; W739-S743 WeakPolarHBondContact CZ3-OG 3.48Å; W739-I748 HydrophobicContact CD2-CD1 3.5Å; W739-I748 HydrophobicContact CE3-CD1 3.42Å; W739-I748 VanDerWaalsContact CE3-CD1 3.42Å; W739-I748 HydrophobicContact CE3-CG1 4.04Å; W739-I748 HydrophobicContact CG-CD1 4.12Å; W739-I748 HydrophobicContact CH2-CB 3.97Å; W739-I748 HydrophobicContact CH2-CD1 3.96Å; W739-I748 HydrophobicContact CH2-CG1 4.17Å; W739-I748 HydrophobicContact CZ2-CB 4.45Å; W739-I748 HydrophobicContact CZ2-CD1 4Å; W739-I748 HydrophobicContact CZ3-CB 4.11Å; W739-I748 HydrophobicContact CZ3-CD1 3.65Å; W739-I748 HydrophobicContact CZ3-CG1 3.83Å
740	P	87.6	Confident	92	Very high	63 Å²	63	25.9 Å²	25.9	41%	0.409	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-60.3	148.3	173.4	-23.9	34.1	0	0	0	112.9	G742 S743	P740-G742 PolarHBondContact O-N 3.17Å; P740-S743 WeakPolarHBondContact O-CB 3.3Å; P740-S743 PolarHBondContact O-N 3.2Å; P740-S743 VanDerWaalsContact O-N 3.13Å
741	E	82.1	Confident	92	Very high	109 Å²	109	25.8 Å²	25.8	51%	0.509	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	128.7	170.4	174	167.1	-126.9	0	0	110.7	T169 S743 K780	T169-E741 WeakPolarHBondContact CB-OE1 3.49Å; T169-E741 HydrophobicContact CG2-CG 3.97Å; T169-E741 WeakPolarHBondContact CG2-OE1 3.42Å; T169-E741 PolarHBondContact OG1-OE1 3.37Å; E741-S743 VanDerWaalsContact C-N 3.29Å; E741-K780 VanDerWaalsContact CD-CE 3.5Å; E741-K780 WeakPolarHBondContact OE1-CE 3.48Å; E741-K780 IonicContact OE1-NZ 2.73Å; E741-K780 PolarHBondContact OE1-NZ 2.79Å; E741-K780 WeakPolarHBondContact OE2-CE 3.36Å; E741-K780 IonicContact OE2-NZ 3.94Å; E741-K780 PolarHBondContact OE2-NZ 2.6Å
742	G	80.5	Confident	92.1	Very high	79 Å²	79	26.4 Å²	26.4	81%	0.814	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	4.1	-176.1	0	0	0	0	0	114.4	P740	P740-G742 PolarHBondContact O-N 3.17Å
743	S	85.6	Confident	92.3	Very high	9 Å²	9	27 Å²	27	6%	0.063	17%	0.166	C	C	.	.			trans	-55.4	144.4	176	175.5	0	0	0	0	112.7	M185 W739 P740 E741 G745 D747	M185-S743 WeakPolarHBondContact CE-OG 3.31Å; W739-S743 WeakPolarHBondContact CZ3-OG 3.48Å; P740-S743 WeakPolarHBondContact O-CB 3.3Å; P740-S743 PolarHBondContact O-N 3.2Å; P740-S743 VanDerWaalsContact O-N 3.13Å; E741-S743 VanDerWaalsContact C-N 3.29Å; S743-G745 PolarHBondContact OG-N 2.95Å; S743-D747 WeakPolarHBondContact CA-OD2 3.47Å; S743-D747 WeakPolarHBondContact CB-OD2 3.36Å; S743-D747 PolarHBondContact OG-OD2 3.34Å
744	D	82.5	Confident	92.4	Very high	55 Å²	55	26.2 Å²	26.2	29%	0.294	16%	0.163	S	C	.	.			trans	-97.6	-2.9	-174.9	91.9	-14.8	0	0	0	113.9	R186 Y699 T746 D747	R186-D744 WeakPolarHBondContact CD-O 3.49Å; R186-D744 HydrophobicContact CG-CB 4.04Å; R186-D744 VanDerWaalsContact CG-O 3.25Å; R186-D744 WeakPolarHBondContact CG-O 3.42Å; R186-D744 IonicContact CZ-OD2 2.74Å; R186-D744 PolarHBondContact NE-O 3.28Å; R186-D744 IonicContact NE-OD2 2.57Å; R186-D744 PolarHBondContact NE-OD2 2.96Å; R186-D744 IonicContact NH2-OD1 3.26Å; R186-D744 IonicContact NH2-OD2 2.69Å; R186-D744 PolarHBondContact NH2-OD2 3.08Å; Y699-D744 PolarHBondContact OH-O 3.19Å; D744-T746 PolarHBondContact OD1-N 2.91Å; D744-T746 PolarHBondContact OD1-OG1 2.9Å; D744-T746 PolarHBondContact OD2-OG1 3.27Å; D744-D747 PolarHBondContact N-OD2 2.97Å; D744-D747 VanDerWaalsContact N-OD2 3.07Å
745	G	86	Confident	92.5	Very high	12 Å²	12	29.8 Å²	29.8	12%	0.124	18%	0.179	C	C	.	.	S	Bend	trans	89	-0.7	177.6	0	0	0	0	0	114.7	Y699 S743	Y699-G745 WeakPolarHBondContact CE1-O 3.46Å; S743-G745 PolarHBondContact OG-N 2.95Å
746	T	88.6	Confident	92.5	Very high	55 Å²	55	32.8 Å²	32.8	34%	0.337	20%	0.196	S	C	.	.			trans	-105.4	-16.4	168.9	14.5	0	0	0	0	113.2	R186 D744 I748	R186-T746 PolarHBondContact NH2-OG1 2.97Å; D744-T746 PolarHBondContact OD1-N 2.91Å; D744-T746 PolarHBondContact OD1-OG1 2.9Å; D744-T746 PolarHBondContact OD2-OG1 3.27Å; T746-I748 PolarHBondContact O-N 2.57Å
747	D	90.4	Very high	92.5	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.144	21%	0.213	C	C	.	.	S	Bend	trans	-56.6	-14.1	-176.6	-55.2	-53.8	0	0	0	116.9	S743 D744 D764 D765 F766	S743-D747 WeakPolarHBondContact CA-OD2 3.47Å; S743-D747 WeakPolarHBondContact CB-OD2 3.36Å; S743-D747 PolarHBondContact OG-OD2 3.34Å; D744-D747 PolarHBondContact N-OD2 2.97Å; D744-D747 VanDerWaalsContact N-OD2 3.07Å; D747-D764 WeakPolarHBondContact O-CA 3.34Å; D747-D764 WeakPolarHBondContact O-CB 3.25Å; D747-D765 PolarHBondContact O-N 2.97Å; D747-D765 VanDerWaalsContact O-N 3.09Å; D747-F766 HydrophobicContact CB-CE2 3.97Å; D747-F766 HydrophobicContact CB-CZ 4.2Å; D747-F766 VanDerWaalsContact OD1-CZ 3.26Å; D747-F766 WeakPolarHBondContact OD1-CZ 3.4Å
748	I	95.9	Very high	92.6	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.062	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.2	-176.9	-59.1	170.9	0	0	0	109.1	V730 V738 W739 T746 L762	V730-I748 HydrophobicContact CG1-CG2 3.74Å; V738-I748 HydrophobicContact CG2-CD1 3.97Å; W739-I748 HydrophobicContact CD2-CD1 3.5Å; W739-I748 HydrophobicContact CE3-CD1 3.42Å; W739-I748 VanDerWaalsContact CE3-CD1 3.42Å; W739-I748 HydrophobicContact CE3-CG1 4.04Å; W739-I748 HydrophobicContact CG-CD1 4.12Å; W739-I748 HydrophobicContact CH2-CB 3.97Å; W739-I748 HydrophobicContact CH2-CD1 3.96Å; W739-I748 HydrophobicContact CH2-CG1 4.17Å; W739-I748 HydrophobicContact CZ2-CB 4.45Å; W739-I748 HydrophobicContact CZ2-CD1 4Å; W739-I748 HydrophobicContact CZ3-CB 4.11Å; W739-I748 HydrophobicContact CZ3-CD1 3.65Å; W739-I748 HydrophobicContact CZ3-CG1 3.83Å; T746-I748 PolarHBondContact O-N 2.57Å; I748-L762 HydrophobicContact CD1-CD1 3.64Å; I748-L762 HydrophobicContact CG1-CD1 4.01Å; I748-L762 HydrophobicContact CG2-CD1 3.89Å; I748-L762 HydrophobicContact CG2-CG 3.89Å
749	N	97.2	Very high	92.7	Very high	30 Å²	30	42.3 Å²	42.3	16%	0.16	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-35.8	179.3	-65.8	-58.8	0	0	0	113	W552 H682 A763 D765 V793	W552-N749 HydrophobicContact CH2-CB 4.38Å; W552-N749 HydrophobicContact CZ3-CB 4.24Å; H682-N749 PolarHBondContact CE1-O 3.48Å; N749-A763 PolarHBondContact N-O 3.36Å; N749-A763 VanDerWaalsContact N-O 3.08Å; N749-D765 PolarHBondContact ND2-OD1 3.37Å; N749-V793 WeakPolarHBondContact CB-O 3.38Å; N749-V793 PolarHBondContact ND2-O 3.26Å
750	A	98	Very high	92.9	Very high	7 Å²	7	41.7 Å²	41.7	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	154.9	-177.8	0	0	0	0	0	113	L762 A763 V796	A750-L762 WeakPolarHBondContact O-CA 3.37Å; A750-A763 HydrophobicContact CB-CB 4.12Å; A750-A763 PolarHBondContact O-N 3.13Å; A750-V796 HydrophobicContact CB-CG2 3.97Å
751	L	98.3	Very high	93.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.3	177.9	178.2	147.6	0	0	0	108.6	T728 V730 V735 V738 I760 A761	T728-L751 VanDerWaalsContact CA-O 3.26Å; T728-L751 WeakPolarHBondContact CA-O 3.26Å; T728-L751 WeakPolarHBondContact CB-O 3.43Å; T728-L751 WeakPolarHBondContact CG2-O 3.32Å; V730-L751 HydrophobicContact CG1-CB 3.77Å; V735-L751 HydrophobicContact CB-CD1 4.07Å; V735-L751 HydrophobicContact CG1-CD1 4.45Å; V735-L751 HydrophobicContact CG1-CD2 4.15Å; V738-L751 HydrophobicContact CG1-CD1 4.25Å; V738-L751 HydrophobicContact CG2-CD1 4Å; L751-I760 HydrophobicContact CD1-CG2 3.74Å; L751-I760 HydrophobicContact CD2-CG2 3.84Å; L751-I760 HydrophobicContact CG-CG2 3.49Å; L751-I760 VanDerWaalsContact CG-CG2 3.49Å; L751-A761 CarbonylContact C-O 3.59Å; L751-A761 WeakPolarHBondContact CA-O 3.45Å
752	V	98.6	Very high	94.2	Very high	16 Å²	16	33.7 Å²	33.7	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	128.4	174.2	63.6	0	0	0	0	111.5	Y727 I760 A761 V796 F798 L805	Y727-V752 WeakPolarHBondContact O-CA 3.35Å; V752-I760 CarbonylContact O-C 3.55Å; V752-I760 WeakPolarHBondContact O-CA 3.41Å; V752-A761 HydrophobicContact CG1-CB 3.85Å; V752-A761 PolarHBondContact N-O 3.15Å; V752-A761 PolarHBondContact O-N 3.16Å; V752-V796 HydrophobicContact CG1-CB 4.16Å; V752-V796 HydrophobicContact CG1-CG2 4.07Å; V752-V796 WeakPolarHBondContact CG1-O 3.2Å; V752-F798 HydrophobicContact CG1-CD2 3.77Å; V752-F798 HydrophobicContact CG1-CE2 3.94Å; V752-F798 HydrophobicContact CG2-CD2 4.15Å; V752-L805 HydrophobicContact CG1-CD1 3.99Å
753	R	98.4	Very high	95	Very high	15 Å²	15	30 Å²	30	6%	0.057	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.7	167.2	179.1	-176.4	77.3	176.8	-5.2	109.7	D723 W724 A725 Y727 Y774	D723-R753 IonicContact OD1-NH1 2.65Å; D723-R753 PolarHBondContact OD1-NH1 2.96Å; W724-R753 PolarHBondContact O-NH2 2.94Å; A725-R753 PolarHBondContact O-NH2 3.43Å; Y727-R753 VanDerWaalsContact CE2-NH1 3.29Å; Y727-R753 PolarHBondContact O-N 3.47Å; Y727-R753 VanDerWaalsContact O-N 3.07Å; R753-Y774 HydrophobicContact CB-CD2 4.46Å; R753-Y774 HydrophobicContact CG-CD2 3.85Å; R753-Y774 HydrophobicContact CG-CE2 4.08Å; R753-Y774 HydrophobicContact CG-CG 4.08Å; R753-Y774 PolarHBondContact NH1-OH 2.87Å
754	S	98.3	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.			trans	-54.6	145.5	170.6	57	0	0	0	0	111.8	N756 R757 K758 V759 D802	S754-N756 PolarHBondContact O-N 2.8Å; S754-R757 WeakPolarHBondContact O-CA 3.41Å; S754-R757 PolarHBondContact O-N 3.2Å; S754-R757 PolarHBondContact OG-N 2.88Å; S754-K758 PolarHBondContact OG-N 2.91Å; S754-V759 PolarHBondContact N-O 2.86Å; S754-V759 PolarHBondContact OG-N 2.89Å; S754-V759 VanDerWaalsContact OG-N 3.16Å; S754-V759 PolarHBondContact OG-O 2.9Å; S754-D802 WeakPolarHBondContact CA-OD1 3.44Å; S754-D802 WeakPolarHBondContact CB-OD1 3.29Å
755	H	97.2	Very high	96.1	Very high	111 Å²	111	29.5 Å²	29.5	51%	0.514	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.7	179.4	-54.3	85.7	0	0	0	111.9	R757 L799 D802	H755-R757 PolarHBondContact O-N 3.34Å; H755-L799 PolarHBondContact CE1-O 3.25Å; H755-L799 VanDerWaalsContact CE1-O 3.28Å; H755-L799 PolarHBondContact ND1-O 2.65Å; H755-D802 IonicContact CE1-OD1 2.74Å; H755-D802 IonicContact CG-OD1 3.59Å; H755-D802 PolarHBondContact N-OD1 3.24Å; H755-D802 PolarHBondContact N-OD2 2.66Å; H755-D802 VanDerWaalsContact N-OD2 3.16Å; H755-D802 IonicContact ND1-OD1 3.73Å; H755-D802 PolarHBondContact ND1-OD1 3.44Å
756	N	96.7	Very high	96.4	Very high	64 Å²	64	31.7 Å²	31.7	34%	0.342	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	0.2	175.5	76	61.4	0	0	0	115.2	S754 K758 D802	S754-N756 PolarHBondContact O-N 2.8Å; N756-K758 VanDerWaalsContact C-N 3.34Å; N756-K758 PolarHBondContact O-N 3.34Å; N756-K758 VanDerWaalsContact OD1-CB 3.24Å; N756-K758 WeakPolarHBondContact OD1-CB 3.16Å; N756-K758 WeakPolarHBondContact OD1-CD 3.36Å; N756-K758 WeakPolarHBondContact OD1-CG 3.45Å; N756-K758 PolarHBondContact OD1-N 3.28Å; N756-K758 VanDerWaalsContact OD1-N 3.15Å; N756-D802 VanDerWaalsContact CB-OD2 3.3Å; N756-D802 WeakPolarHBondContact CB-OD2 3.41Å; N756-D802 PolarHBondContact N-OD2 3.06Å; N756-D802 PolarHBondContact ND2-OD2 3.41Å
757	R	96.5	Very high	96.8	Very high	98 Å²	98	30.2 Å²	30.2	37%	0.37	15%	0.145	S	C	.	.	S	Bend	trans	60	24.1	174.4	-49.9	-178.4	169.4	-162	-7	116.9	D723 S754 H755 Y774	D723-R757 IonicContact OD1-CZ 2.94Å; D723-R757 IonicContact OD1-NH1 3.57Å; D723-R757 PolarHBondContact OD1-NH1 3.26Å; D723-R757 IonicContact OD1-NH2 3.55Å; D723-R757 PolarHBondContact OD1-NH2 3.27Å; D723-R757 IonicContact OD2-CZ 2.69Å; D723-R757 IonicContact OD2-NH1 3.79Å; D723-R757 PolarHBondContact OD2-NH1 3.24Å; D723-R757 IonicContact OD2-NH2 3.88Å; D723-R757 PolarHBondContact OD2-NH2 3.13Å; S754-R757 WeakPolarHBondContact O-CA 3.41Å; S754-R757 PolarHBondContact O-N 3.2Å; S754-R757 PolarHBondContact OG-N 2.88Å; H755-R757 PolarHBondContact O-N 3.34Å; R757-Y774 HydrophobicContact CB-CD1 4.32Å; R757-Y774 HydrophobicContact CB-CE1 4.5Å; R757-Y774 WeakPolarHBondContact O-CD1 3.3Å
758	K	96.1	Very high	97.1	Very high	109 Å²	109	31.1 Å²	31.1	47%	0.474	15%	0.147	S	C	.	.	S	Bend	trans	-92.5	-28.7	176.6	-65.3	165.8	-160.4	150.9	0	114.2	S754 N756 Y774	S754-K758 PolarHBondContact OG-N 2.91Å; N756-K758 VanDerWaalsContact C-N 3.34Å; N756-K758 PolarHBondContact O-N 3.34Å; N756-K758 VanDerWaalsContact OD1-CB 3.24Å; N756-K758 WeakPolarHBondContact OD1-CB 3.16Å; N756-K758 WeakPolarHBondContact OD1-CD 3.36Å; N756-K758 WeakPolarHBondContact OD1-CG 3.45Å; N756-K758 PolarHBondContact OD1-N 3.28Å; N756-K758 VanDerWaalsContact OD1-N 3.15Å; K758-Y774 PolarHBondContact O-N 2.9Å
759	V	98.1	Very high	97.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.5	-171.5	-64.1	0	0	0	0	113	P209 E211 S754 L771 F772 F798	P209-V759 HydrophobicContact CB-CG1 3.74Å; P209-V759 HydrophobicContact CG-CG1 4.46Å; E211-V759 HydrophobicContact CB-CG1 4.19Å; S754-V759 PolarHBondContact N-O 2.86Å; S754-V759 PolarHBondContact OG-N 2.89Å; S754-V759 VanDerWaalsContact OG-N 3.16Å; S754-V759 PolarHBondContact OG-O 2.9Å; V759-L771 HydrophobicContact CB-CD1 3.97Å; V759-L771 HydrophobicContact CB-CG 4.32Å; V759-L771 HydrophobicContact CG1-CD2 4.48Å; V759-L771 HydrophobicContact CG1-CG 4.45Å; V759-L771 HydrophobicContact CG2-CD1 4.03Å; V759-F772 CarbonylContact C-O 3.58Å; V759-F772 VanDerWaalsContact CA-O 3.26Å; V759-F772 WeakPolarHBondContact CA-O 3.25Å; V759-F772 WeakPolarHBondContact CB-O 3.09Å; V759-F798 HydrophobicContact CG2-CE1 4.41Å; V759-F798 HydrophobicContact CG2-CE2 4.37Å; V759-F798 HydrophobicContact CG2-CZ 3.73Å
760	I	98.4	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.1	168.3	-51	179.7	0	0	0	107.6	V735 V738 L751 V752 L771 F772 Y774 C776	V735-I760 HydrophobicContact CB-CD1 4.3Å; V735-I760 HydrophobicContact CG1-CD1 3.98Å; V738-I760 HydrophobicContact CG1-CD1 4.39Å; L751-I760 HydrophobicContact CD1-CG2 3.74Å; L751-I760 HydrophobicContact CD2-CG2 3.84Å; L751-I760 HydrophobicContact CG-CG2 3.49Å; L751-I760 VanDerWaalsContact CG-CG2 3.49Å; V752-I760 CarbonylContact O-C 3.55Å; V752-I760 WeakPolarHBondContact O-CA 3.41Å; I760-L771 WeakPolarHBondContact O-CA 3.3Å; I760-F772 HydrophobicContact CB-CB 4.34Å; I760-F772 PolarHBondContact N-O 3.36Å; I760-F772 PolarHBondContact O-N 3.36Å; I760-Y774 HydrophobicContact CD1-CD2 3.92Å; I760-Y774 HydrophobicContact CG1-CD2 3.83Å; I760-Y774 HydrophobicContact CG1-CG 4.38Å; I760-C776 HydrophobicContact CD1-CB 3.46Å; I760-C776 VanDerWaalsContact CD1-CB 3.46Å
761	A	98.7	Very high	97.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	148.6	162.9	0	0	0	0	0	110.4	L751 V752 H770 L771 F798 L805	L751-A761 CarbonylContact C-O 3.59Å; L751-A761 WeakPolarHBondContact CA-O 3.45Å; V752-A761 HydrophobicContact CG1-CB 3.85Å; V752-A761 PolarHBondContact N-O 3.15Å; V752-A761 PolarHBondContact O-N 3.16Å; A761-H770 WeakPolarHBondContact CA-O 3.33Å; A761-L771 HydrophobicContact CB-CD1 4.28Å; A761-F798 HydrophobicContact CB-CE2 3.77Å; A761-F798 HydrophobicContact CB-CZ 3.84Å; A761-L805 HydrophobicContact CB-CD1 3.43Å; A761-L805 VanDerWaalsContact CB-CD1 3.43Å; A761-L805 HydrophobicContact CB-CD2 3.57Å; A761-L805 HydrophobicContact CB-CG 4.16Å
762	L	98.1	Very high	97.3	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.3	-175.6	168.2	157.6	0	0	0	110.9	V738 I748 A750 D764 V769 H770 F772	V738-L762 HydrophobicContact CB-CD1 3.69Å; V738-L762 HydrophobicContact CG1-CD1 4.29Å; V738-L762 HydrophobicContact CG2-CD1 3.75Å; I748-L762 HydrophobicContact CD1-CD1 3.64Å; I748-L762 HydrophobicContact CG1-CD1 4.01Å; I748-L762 HydrophobicContact CG2-CD1 3.89Å; I748-L762 HydrophobicContact CG2-CG 3.89Å; A750-L762 WeakPolarHBondContact O-CA 3.37Å; L762-D764 HydrophobicContact CD2-CB 4.11Å; L762-V769 WeakPolarHBondContact O-CA 3.43Å; L762-H770 HydrophobicContact CB-CB 4.04Å; L762-H770 HydrophobicContact CD2-CB 3.82Å; L762-H770 HydrophobicContact CG-CB 4.48Å; L762-H770 PolarHBondContact N-O 2.91Å; L762-H770 PolarHBondContact O-N 3.12Å; L762-F772 HydrophobicContact CB-CE2 4.32Å; L762-F772 HydrophobicContact CD1-CE2 4.05Å
763	A	98	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.3	177.3	0	0	0	0	0	110.4	N749 A750 V793 V796	N749-A763 PolarHBondContact N-O 3.36Å; N749-A763 VanDerWaalsContact N-O 3.08Å; A750-A763 HydrophobicContact CB-CB 4.12Å; A750-A763 PolarHBondContact O-N 3.13Å; A763-V793 HydrophobicContact CB-CB 3.74Å; A763-V793 HydrophobicContact CB-CG1 3.55Å; A763-V793 WeakPolarHBondContact CB-O 3.06Å; A763-V796 HydrophobicContact CB-CG1 4.03Å; A763-V796 HydrophobicContact CB-CG2 3.93Å
764	D	95.7	Very high	97.1	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	159.5	-179.3	82.7	7.6	0	0	0	114.4	D747 L762 F766 C767 K768 H770 V793	D747-D764 WeakPolarHBondContact O-CA 3.34Å; D747-D764 WeakPolarHBondContact O-CB 3.25Å; L762-D764 HydrophobicContact CD2-CB 4.11Å; D764-F766 HydrophobicContact CB-CD2 4.34Å; D764-F766 PolarHBondContact O-N 2.84Å; D764-F766 VanDerWaalsContact OD1-CA 3.3Å; D764-F766 WeakPolarHBondContact OD1-CA 3.34Å; D764-F766 WeakPolarHBondContact OD1-CB 3.4Å; D764-F766 PolarHBondContact OD1-N 3.1Å; D764-C767 PolarHBondContact O-N 3.38Å; D764-C767 PolarHBondContact OD1-N 3.46Å; D764-C767 VanDerWaalsContact OD1-N 3.15Å; D764-K768 PolarHBondContact N-O 2.95Å; D764-K768 WeakPolarHBondContact OD1-CA 3.47Å; D764-K768 WeakPolarHBondContact OD1-CB 3.11Å; D764-K768 PolarHBondContact OD1-N 3.03Å; D764-H770 IonicContact OD2-NE2 3.05Å; D764-V793 PolarHBondContact O-N 3.14Å
765	D	94.3	Very high	97	Very high	42 Å²	42	33.9 Å²	33.9	23%	0.225	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.8	174.2	-100.1	6.6	0	0	0	113	D747 N749 C767 H792	D747-D765 PolarHBondContact O-N 2.97Å; D747-D765 VanDerWaalsContact O-N 3.09Å; N749-D765 PolarHBondContact ND2-OD1 3.37Å; D765-C767 PolarHBondContact O-N 2.85Å; D765-H792 PolarHBondContact O-ND1 2.79Å; D765-H792 WeakPolarHBondContact OD1-CB 3.32Å; D765-H792 IonicContact OD1-CD2 2.69Å; D765-H792 IonicContact OD1-CG 2.8Å; D765-H792 VanDerWaalsContact OD1-CG 3.24Å; D765-H792 IonicContact OD1-ND1 3.16Å; D765-H792 PolarHBondContact OD1-ND1 3.01Å
766	F	93.8	Very high	96.9	Very high	58 Å²	58	28.8 Å²	28.8	25%	0.254	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	18.8	-177.3	-47.4	-57.2	0	0	0	113.1	K288 D747 D764 K768	K288-F766 VanDerWaalsContact CA-CD1 3.47Å; K288-F766 HydrophobicContact CB-CB 4.17Å; K288-F766 HydrophobicContact CB-CD1 3.49Å; K288-F766 VanDerWaalsContact CB-CD1 3.49Å; K288-F766 HydrophobicContact CB-CD2 3.78Å; K288-F766 HydrophobicContact CB-CE1 3.73Å; K288-F766 HydrophobicContact CB-CE2 3.99Å; K288-F766 HydrophobicContact CB-CG 3.51Å; K288-F766 HydrophobicContact CB-CZ 3.96Å; D747-F766 HydrophobicContact CB-CE2 3.97Å; D747-F766 HydrophobicContact CB-CZ 4.2Å; D747-F766 VanDerWaalsContact OD1-CZ 3.26Å; D747-F766 WeakPolarHBondContact OD1-CZ 3.4Å; D764-F766 HydrophobicContact CB-CD2 4.34Å; D764-F766 PolarHBondContact O-N 2.84Å; D764-F766 VanDerWaalsContact OD1-CA 3.3Å; D764-F766 WeakPolarHBondContact OD1-CA 3.34Å; D764-F766 WeakPolarHBondContact OD1-CB 3.4Å; D764-F766 PolarHBondContact OD1-N 3.1Å; F766-K768 PolarHBondContact O-NZ 3.02Å
767	C	95.5	Very high	96.8	Very high	24 Å²	24	25.8 Å²	25.8	16%	0.162	13%	0.127	C	C	.	.	S	Bend	trans	64.2	36.5	178	-27.2	0	0	0	0	113.3	D764 D765 H789 S791	D764-C767 PolarHBondContact O-N 3.38Å; D764-C767 PolarHBondContact OD1-N 3.46Å; D764-C767 VanDerWaalsContact OD1-N 3.15Å; D765-C767 PolarHBondContact O-N 2.85Å; C767-H789 HydrophobicContact CB-CB 4.34Å; C767-H789 WeakPolarHBondContact CB-O 3.45Å; C767-S791 VanDerWaalsContact CA-O 3.27Å; C767-S791 WeakPolarHBondContact CA-O 3.49Å; C767-S791 WeakPolarHBondContact CB-O 3.43Å; C767-S791 PolarHBondContact SG-O 2.92Å
768	K	96.8	Very high	96.7	Very high	45 Å²	45	23.5 Å²	23.5	20%	0.196	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.5	-180	-50.7	-66.2	154.2	-75.7	0	111.8	D764 F766 Y786 S787 V793	D764-K768 PolarHBondContact N-O 2.95Å; D764-K768 WeakPolarHBondContact OD1-CA 3.47Å; D764-K768 WeakPolarHBondContact OD1-CB 3.11Å; D764-K768 PolarHBondContact OD1-N 3.03Å; F766-K768 PolarHBondContact O-NZ 3.02Å; K768-Y786 WeakPolarHBondContact CA-O 3.44Å; K768-S787 WeakPolarHBondContact CD-OG 3.46Å; K768-S787 WeakPolarHBondContact CE-OG 3.39Å; K768-V793 WeakPolarHBondContact O-CG2 3.42Å
769	V	98.6	Very high	96.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.3	158	177.9	0	0	0	0	107.5	L213 L762 Y786 V793 V796 L805 W818	L213-V769 HydrophobicContact CD1-CG1 3.65Å; L762-V769 WeakPolarHBondContact O-CA 3.43Å; V769-Y786 PolarHBondContact N-O 2.91Å; V769-Y786 VanDerWaalsContact N-O 3.16Å; V769-Y786 WeakPolarHBondContact O-CD2 3.34Å; V769-Y786 PolarHBondContact O-N 2.82Å; V769-V793 HydrophobicContact CG2-CG1 4.12Å; V769-V796 HydrophobicContact CG1-CG1 4.44Å; V769-V796 HydrophobicContact CG2-CG1 4.5Å; V769-L805 HydrophobicContact CG1-CD2 3.69Å; V769-W818 HydrophobicContact CB-CZ2 4.38Å; V769-W818 HydrophobicContact CG2-CZ2 3.89Å
770	H	98.5	Very high	96.1	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.042	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151	176.2	-86.5	-136.2	0	0	0	111	A761 L762 D764 F772 S783 H784 K785	A761-H770 WeakPolarHBondContact CA-O 3.33Å; L762-H770 HydrophobicContact CB-CB 4.04Å; L762-H770 HydrophobicContact CD2-CB 3.82Å; L762-H770 HydrophobicContact CG-CB 4.48Å; L762-H770 PolarHBondContact N-O 2.91Å; L762-H770 PolarHBondContact O-N 3.12Å; D764-H770 IonicContact OD2-NE2 3.05Å; H770-F772 HydrophobicContact CB-CD2 4.19Å; H770-F772 HydrophobicContact CB-CE2 3.66Å; H770-F772 AromaticContact ND1-CE2 3.56Å; H770-F772 AromaticContact ND1-CZ 3.6Å; H770-S783 PolarHBondContact ND1-OG 3.5Å; H770-H784 WeakPolarHBondContact CA-O 3.49Å; H770-K785 WeakPolarHBondContact CE1-CE 3.35Å; H770-K785 PolarHBondContact CE1-NZ 3.4Å; H770-K785 WeakPolarHBondContact NE2-CD 3.41Å; H770-K785 PolarHBondContact NE2-NZ 2.85Å
771	L	98.6	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.6	168.7	-164.7	77.3	0	0	0	110.6	P209 E211 L213 V759 I760 A761 S783 H784 Y786 F798 L820	P209-L771 HydrophobicContact CG-CD2 4.2Å; P209-L771 HydrophobicContact CG-CG 4.2Å; E211-L771 HydrophobicContact CB-CD2 4.35Å; E211-L771 WeakPolarHBondContact O-CD2 3.38Å; L213-L771 HydrophobicContact CG-CD2 4.38Å; V759-L771 HydrophobicContact CB-CD1 3.97Å; V759-L771 HydrophobicContact CB-CG 4.32Å; V759-L771 HydrophobicContact CG1-CD2 4.48Å; V759-L771 HydrophobicContact CG1-CG 4.45Å; V759-L771 HydrophobicContact CG2-CD1 4.03Å; I760-L771 WeakPolarHBondContact O-CA 3.3Å; A761-L771 HydrophobicContact CB-CD1 4.28Å; L771-S783 VanDerWaalsContact O-CA 3.26Å; L771-S783 WeakPolarHBondContact O-CA 3.49Å; L771-S783 WeakPolarHBondContact O-CB 3.48Å; L771-H784 PolarHBondContact N-O 2.79Å; L771-H784 PolarHBondContact O-N 3.39Å; L771-Y786 HydrophobicContact CB-CE2 3.94Å; L771-F798 HydrophobicContact CD1-CZ 4.19Å; L771-L820 HydrophobicContact CD1-CD1 4.47Å; L771-L820 HydrophobicContact CD2-CD1 3.99Å
772	F	98.4	Very high	95.8	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	162.8	176	-60.9	-103.7	0	0	0	110.4	V738 V759 I760 L762 H770 A781 S783	V738-F772 HydrophobicContact CB-CD2 4.37Å; V738-F772 HydrophobicContact CB-CE1 4.18Å; V738-F772 HydrophobicContact CB-CE2 3.87Å; V738-F772 HydrophobicContact CB-CZ 3.75Å; V738-F772 HydrophobicContact CG1-CD1 4.15Å; V738-F772 HydrophobicContact CG1-CD2 3.74Å; V738-F772 HydrophobicContact CG1-CE1 4.16Å; V738-F772 HydrophobicContact CG1-CE2 3.76Å; V738-F772 HydrophobicContact CG1-CG 3.94Å; V738-F772 HydrophobicContact CG1-CZ 3.96Å; V759-F772 CarbonylContact C-O 3.58Å; V759-F772 VanDerWaalsContact CA-O 3.26Å; V759-F772 WeakPolarHBondContact CA-O 3.25Å; V759-F772 WeakPolarHBondContact CB-O 3.09Å; I760-F772 HydrophobicContact CB-CB 4.34Å; I760-F772 PolarHBondContact N-O 3.36Å; I760-F772 PolarHBondContact O-N 3.36Å; L762-F772 HydrophobicContact CB-CE2 4.32Å; L762-F772 HydrophobicContact CD1-CE2 4.05Å; H770-F772 HydrophobicContact CB-CD2 4.19Å; H770-F772 HydrophobicContact CB-CE2 3.66Å; H770-F772 AromaticContact ND1-CE2 3.56Å; H770-F772 AromaticContact ND1-CZ 3.6Å; F772-A781 HydrophobicContact CD1-CB 4.02Å; F772-A781 HydrophobicContact CE1-CB 4.21Å; F772-A781 WeakPolarHBondContact CE1-O 3.45Å; F772-S783 VanDerWaalsContact CE1-OG 3.25Å; F772-S783 WeakPolarHBondContact CE1-OG 3.45Å; F772-S783 WeakPolarHBondContact CZ-OG 3.39Å
773	A	97.5	Very high	95.8	Very high	29 Å²	29	32.4 Å²	32.4	24%	0.24	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	152.8	164.7	0	0	0	0	0	110.9	P209	P209-A773 HydrophobicContact CB-CB 4.32Å
774	Y	96.3	Very high	95.8	Very high	37 Å²	37	33.2 Å²	33.2	15%	0.145	17%	0.171	C	C	.	.	S	Bend	trans	-108.9	138.4	169.8	-178.8	-89	0	0	0	110.2	Y727 H734 R753 R757 K758 I760	Y727-Y774 HydrophobicContact CD2-CE2 4.12Å; Y727-Y774 HydrophobicContact CE2-CE2 4.31Å; Y727-Y774 WeakPolarHBondContact CE2-OH 3.3Å; Y727-Y774 HydrophobicContact CG-CE2 4.32Å; H734-Y774 HydrophobicContact CB-CE2 3.81Å; R753-Y774 HydrophobicContact CB-CD2 4.46Å; R753-Y774 HydrophobicContact CG-CD2 3.85Å; R753-Y774 HydrophobicContact CG-CE2 4.08Å; R753-Y774 HydrophobicContact CG-CG 4.08Å; R753-Y774 PolarHBondContact NH1-OH 2.87Å; R757-Y774 HydrophobicContact CB-CD1 4.32Å; R757-Y774 HydrophobicContact CB-CE1 4.5Å; R757-Y774 WeakPolarHBondContact O-CD1 3.3Å; K758-Y774 PolarHBondContact O-N 2.9Å; I760-Y774 HydrophobicContact CD1-CD2 3.92Å; I760-Y774 HydrophobicContact CG1-CD2 3.83Å; I760-Y774 HydrophobicContact CG1-CG 4.38Å
775	P	95.3	Very high	95.9	Very high	64 Å²	64	38.4 Å²	38.4	42%	0.416	19%	0.193	S	C	.	.	S	Bend	cis	-74.1	149.6	-6.7	32.4	-35.7	0	0	0	112.2	H734	H734-P775 HydrophobicContact CB-CB 4.2Å
776	C	95.8	Very high	96	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.02	19%	0.188	C	C	.	.			trans	-104.4	65.7	-180	-172.7	0	0	0	0	110.3	H734 V735 G737 V738 I760 A781	H734-C776 PolarHBondContact O-N 2.91Å; V735-C776 CarbonylContact C-O 3.59Å; V735-C776 VanDerWaalsContact C-O 3.3Å; G737-C776 VanDerWaalsContact CA-O 3.31Å; G737-C776 WeakPolarHBondContact CA-O 3.49Å; G737-C776 PolarHBondContact N-O 3.21Å; V738-C776 HydrophobicContact CG1-CB 4.17Å; V738-C776 PolarHBondContact N-SG 3.1Å; V738-C776 VanDerWaalsContact N-SG 3.42Å; I760-C776 HydrophobicContact CD1-CB 3.46Å; I760-C776 VanDerWaalsContact CD1-CB 3.46Å; C776-A781 WeakPolarHBondContact SG-CB 3.43Å
777	S	95	Very high	96.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	19%	0.194	C	C	.	.			trans	-106.2	25.7	-166.7	-60.9	0	0	0	0	115.5	Y201 Y733 H734 F736	Y201-S777 WeakPolarHBondContact CE2-O 3.37Å; Y733-S777 WeakPolarHBondContact CE1-OG 3.48Å; Y733-S777 WeakPolarHBondContact O-CB 3.31Å; Y733-S777 PolarHBondContact O-OG 3.01Å; H734-S777 WeakPolarHBondContact CA-OG 3.34Å; F736-S777 WeakPolarHBondContact CE1-O 3.47Å; F736-S777 VanDerWaalsContact CZ-O 3.24Å; F736-S777 WeakPolarHBondContact CZ-O 3.46Å
778	R	93.4	Very high	96.2	Very high	51 Å²	51	36.6 Å²	36.6	19%	0.192	19%	0.187	C	C	.	.	S	Bend	trans	-132	143	169.8	-66.1	-67.8	-140.4	149.9	18.9	109.9	Y201 E202 V204 A206 G737	Y201-R778 PolarHBondContact O-NE 3.08Å; Y201-R778 PolarHBondContact O-NH2 2.67Å; Y201-R778 WeakPolarHBondContact OH-CD 3.47Å; E202-R778 VanDerWaalsContact CA-NH2 3.35Å; E202-R778 PolarHBondContact O-NH2 2.94Å; E202-R778 IonicContact OE1-NH1 3.71Å; E202-R778 IonicContact OE2-CZ 3.24Å; E202-R778 VanDerWaalsContact OE2-CZ 3.28Å; E202-R778 IonicContact OE2-NH1 2.97Å; E202-R778 PolarHBondContact OE2-NH1 2.79Å; E202-R778 IonicContact OE2-NH2 3.97Å; E202-R778 PolarHBondContact OE2-NH2 2.97Å; V204-R778 HydrophobicContact CB-CG 4.44Å; V204-R778 HydrophobicContact CG1-CG 4.05Å; V204-R778 PolarHBondContact O-NE 2.59Å; V204-R778 PolarHBondContact O-NH2 2.94Å; A206-R778 HydrophobicContact CB-CB 4.07Å; G737-R778 WeakPolarHBondContact CA-O 3.35Å
779	F	91.3	Very high	96.3	Very high	92 Å²	92	34.7 Å²	34.7	40%	0.404	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	145.9	175.3	-64.7	-72.3	0	0	0	111.9	I181 M183 F736 A781	I181-F779 HydrophobicContact CG2-CE2 4Å; I181-F779 HydrophobicContact CG2-CZ 3.83Å; M183-F779 HydrophobicContact CB-CE1 4.06Å; M183-F779 HydrophobicContact CB-CZ 4.45Å; M183-F779 HydrophobicContact CG-CE1 4.06Å; M183-F779 HydrophobicContact SD-CE1 4.49Å; F736-F779 AromaticContact CD2-CD1 3.93Å; F736-F779 HydrophobicContact CD2-CD1 3.93Å; F736-F779 AromaticContact CD2-CE1 3.7Å; F736-F779 HydrophobicContact CD2-CE1 3.7Å; F736-F779 HydrophobicContact CD2-CZ 4.16Å; F736-F779 AromaticContact CE2-CD1 3.68Å; F736-F779 HydrophobicContact CE2-CD1 3.68Å; F736-F779 HydrophobicContact CE2-CD2 4Å; F736-F779 AromaticContact CE2-CE1 3.57Å; F736-F779 HydrophobicContact CE2-CE1 3.57Å; F736-F779 AromaticContact CE2-CE2 3.89Å; F736-F779 HydrophobicContact CE2-CE2 3.89Å; F736-F779 AromaticContact CE2-CG 3.9Å; F736-F779 HydrophobicContact CE2-CG 3.9Å; F736-F779 AromaticContact CE2-CZ 3.68Å; F736-F779 HydrophobicContact CE2-CZ 3.68Å; F779-A781 VanDerWaalsContact C-N 3.3Å; F779-A781 PolarHBondContact O-N 3.29Å
780	K	90.4	Very high	96.2	Very high	123 Å²	123	35.2 Å²	35.2	54%	0.535	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	36.9	177.3	-43.9	-176.1	-167.8	-167.5	0	112.8	E741	E741-K780 VanDerWaalsContact CD-CE 3.5Å; E741-K780 WeakPolarHBondContact OE1-CE 3.48Å; E741-K780 IonicContact OE1-NZ 2.73Å; E741-K780 PolarHBondContact OE1-NZ 2.79Å; E741-K780 WeakPolarHBondContact OE2-CE 3.36Å; E741-K780 IonicContact OE2-NZ 3.94Å; E741-K780 PolarHBondContact OE2-NZ 2.6Å
781	A	94.8	Very high	96	Very high	13 Å²	13	35.8 Å²	35.8	11%	0.107	19%	0.187	C	C	.	.			trans	-58.7	140.9	177.9	0	0	0	0	0	111.3	A206 G737 F772 C776 F779	A206-A781 HydrophobicContact CB-CB 3.76Å; G737-A781 WeakPolarHBondContact O-CB 3.4Å; G737-A781 PolarHBondContact O-N 2.97Å; F772-A781 HydrophobicContact CD1-CB 4.02Å; F772-A781 HydrophobicContact CE1-CB 4.21Å; F772-A781 WeakPolarHBondContact CE1-O 3.45Å; C776-A781 WeakPolarHBondContact SG-CB 3.43Å; F779-A781 VanDerWaalsContact C-N 3.3Å; F779-A781 PolarHBondContact O-N 3.29Å
782	P	96.3	Very high	95.9	Very high	48 Å²	48	39.3 Å²	39.3	31%	0.312	20%	0.204	S	C	.	.			trans	-79.5	143.6	-179.9	35.1	-36.2	0	0	0	110.8	A206 L208	A206-P782 WeakPolarHBondContact O-CD 3.4Å; L208-P782 HydrophobicContact CD2-CB 3.77Å; L208-P782 HydrophobicContact CD2-CG 4.31Å; L208-P782 HydrophobicContact CG-CB 3.88Å; L208-P782 HydrophobicContact CG-CG 4.13Å
783	S	97.4	Very high	95.9	Very high	24 Å²	24	39.2 Å²	39.2	17%	0.168	20%	0.203	C	C	.	.			trans	-134.2	149.3	176.2	30	0	0	0	0	111.4	L208 H770 L771 F772	L208-S783 VanDerWaalsContact CD2-C 3.44Å; H770-S783 PolarHBondContact ND1-OG 3.5Å; L771-S783 VanDerWaalsContact O-CA 3.26Å; L771-S783 WeakPolarHBondContact O-CA 3.49Å; L771-S783 WeakPolarHBondContact O-CB 3.48Å; F772-S783 VanDerWaalsContact CE1-OG 3.25Å; F772-S783 WeakPolarHBondContact CE1-OG 3.45Å; F772-S783 WeakPolarHBondContact CZ-OG 3.39Å
784	H	98.1	Very high	95.9	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	142.2	158	-52.7	-59.9	0	0	0	108.2	P209 E211 R212 H770 L771 Y786	P209-H784 PolarHBondContact O-NE2 2.78Å; E211-H784 PolarHBondContact O-CD2 3.13Å; E211-H784 PolarHBondContact O-NE2 2.97Å; R212-H784 PolarHBondContact NH2-CE1 2.7Å; R212-H784 VanDerWaalsContact NH2-CE1 3.31Å; R212-H784 PolarHBondContact NH2-ND1 2.85Å; H770-H784 WeakPolarHBondContact CA-O 3.49Å; L771-H784 PolarHBondContact N-O 2.79Å; L771-H784 PolarHBondContact O-N 3.39Å; H784-Y786 HydrophobicContact CB-CE1 4.5Å; H784-Y786 HydrophobicContact CB-CE2 3.79Å; H784-Y786 WeakPolarHBondContact CB-OH 3.32Å
785	K	97.1	Very high	96.1	Very high	123 Å²	123	38 Å²	38	54%	0.535	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.9	-176.8	-53.4	-169.1	176.9	-146.6	0	110.4	H770	H770-K785 WeakPolarHBondContact CE1-CE 3.35Å; H770-K785 PolarHBondContact CE1-NZ 3.4Å; H770-K785 WeakPolarHBondContact NE2-CD 3.41Å; H770-K785 PolarHBondContact NE2-NZ 2.85Å
786	Y	98.1	Very high	96.2	Very high	30 Å²	30	35.2 Å²	35.2	12%	0.118	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.6	-173.9	-50.9	-84.4	0	0	0	109.7	R212 L213 K768 V769 L771 H784 W818	R212-Y786 WeakPolarHBondContact CA-OH 3.29Å; L213-Y786 HydrophobicContact CB-CD1 4.12Å; L213-Y786 HydrophobicContact CB-CD2 4.13Å; L213-Y786 HydrophobicContact CB-CE1 3.79Å; L213-Y786 HydrophobicContact CB-CE2 3.81Å; L213-Y786 HydrophobicContact CB-CG 4.29Å; L213-Y786 HydrophobicContact CD1-CD2 3.83Å; L213-Y786 HydrophobicContact CD1-CE2 3.81Å; L213-Y786 HydrophobicContact CG-CD2 4.3Å; L213-Y786 HydrophobicContact CG-CE2 3.86Å; L213-Y786 PolarHBondContact N-OH 2.88Å; L213-Y786 WeakPolarHBondContact O-CE1 3.37Å; K768-Y786 WeakPolarHBondContact CA-O 3.44Å; V769-Y786 PolarHBondContact N-O 2.91Å; V769-Y786 VanDerWaalsContact N-O 3.16Å; V769-Y786 WeakPolarHBondContact O-CD2 3.34Å; V769-Y786 PolarHBondContact O-N 2.82Å; L771-Y786 HydrophobicContact CB-CE2 3.94Å; H784-Y786 HydrophobicContact CB-CE1 4.5Å; H784-Y786 HydrophobicContact CB-CE2 3.79Å; H784-Y786 WeakPolarHBondContact CB-OH 3.32Å; Y786-W818 HydrophobicContact CG-CZ3 4.27Å
787	S	95.6	Very high	96.4	Very high	55 Å²	55	36 Å²	36	39%	0.385	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.9	-178.5	-52.9	0	0	0	0	108.9	K768	K768-S787 WeakPolarHBondContact CD-OG 3.46Å; K768-S787 WeakPolarHBondContact CE-OG 3.39Å
788	A	97.5	Very high	96.5	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.183	C	C	.	.			trans	-166.5	-45.9	176.9	0	0	0	0	0	109.6	L215 A243 S244 V245 L260 M816 W818	L215-A788 HydrophobicContact CD2-CB 4.23Å; A243-A788 WeakPolarHBondContact CB-O 3.39Å; S244-A788 PolarHBondContact N-O 3.4Å; S244-A788 VanDerWaalsContact OG-C 3.28Å; S244-A788 PolarHBondContact OG-O 3.14Å; V245-A788 HydrophobicContact CG2-CB 3.65Å; V245-A788 WeakPolarHBondContact CG2-O 3.32Å; L260-A788 HydrophobicContact CD2-CB 3.92Å; A788-M816 HydrophobicContact CB-CE 3.87Å; A788-M816 HydrophobicContact CB-SD 3.29Å; A788-M816 WeakPolarHBondContact CB-SD 3.43Å; A788-W818 HydrophobicContact CB-CH2 3.68Å; A788-W818 HydrophobicContact CB-CZ2 4.22Å
789	H	98.3	Very high	96.8	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	17%	0.173	C	C	.	.			trans	-57.3	152.4	163.7	-71.9	-59	0	0	0	112.2	C767 V793 S807 G809 D812 S814	C767-H789 HydrophobicContact CB-CB 4.34Å; C767-H789 WeakPolarHBondContact CB-O 3.45Å; H789-V793 HydrophobicContact CB-CG2 3.88Å; H789-S807 PolarHBondContact NE2-OG 2.87Å; H789-G809 WeakPolarHBondContact CE1-CA 3.5Å; H789-G809 PolarHBondContact CE1-N 3.39Å; H789-G809 VanDerWaalsContact CE1-N 3.3Å; H789-G809 WeakPolarHBondContact ND1-CA 3.44Å; H789-D812 WeakPolarHBondContact CA-OD2 3.05Å; H789-D812 VanDerWaalsContact CB-OD2 3.32Å; H789-D812 WeakPolarHBondContact CB-OD2 3.33Å; H789-D812 IonicContact CG-OD2 2.67Å; H789-D812 IonicContact ND1-OD1 3.28Å; H789-D812 IonicContact ND1-OD2 2.85Å; H789-D812 PolarHBondContact ND1-OD2 3.47Å; H789-S814 PolarHBondContact CE1-OG 2.65Å; H789-S814 VanDerWaalsContact CE1-OG 3.28Å; H789-S814 PolarHBondContact ND1-OG 2.9Å
790	S	95.9	Very high	97	Very high	12 Å²	12	32.1 Å²	32.1	8%	0.084	17%	0.168	C	C	.	.	S	Bend	trans	-137.2	19	179.5	64.6	0	0	0	0	113.4	A243 C265 D812	A243-S790 VanDerWaalsContact C-OG 3.25Å; A243-S790 WeakPolarHBondContact CA-OG 3.49Å; C265-S790 VanDerWaalsContact N-CB 3.34Å; C265-S790 PolarHBondContact SG-OG 3.46Å; S790-D812 PolarHBondContact N-OD2 2.96Å
791	S	95.1	Very high	97.2	Very high	21 Å²	21	29 Å²	29	15%	0.147	16%	0.161	C	C	.	.	S	Bend	trans	-135.9	178.4	159.5	180	0	0	0	0	107	C767 V793 G809 D812	C767-S791 VanDerWaalsContact CA-O 3.27Å; C767-S791 WeakPolarHBondContact CA-O 3.49Å; C767-S791 WeakPolarHBondContact CB-O 3.43Å; C767-S791 PolarHBondContact SG-O 2.92Å; S791-V793 PolarHBondContact O-N 3.34Å; S791-G809 WeakPolarHBondContact CB-O 3.36Å; S791-D812 PolarHBondContact N-OD2 3.11Å
792	H	96.2	Very high	97.4	Very high	75 Å²	75	28.8 Å²	28.8	35%	0.347	16%	0.159	S	C	.	.			trans	-44.6	128.7	171.6	-47.7	-40.2	0	0	0	110.7	D765 T794 G809	D765-H792 PolarHBondContact O-ND1 2.79Å; D765-H792 WeakPolarHBondContact OD1-CB 3.32Å; D765-H792 IonicContact OD1-CD2 2.69Å; D765-H792 IonicContact OD1-CG 2.8Å; D765-H792 VanDerWaalsContact OD1-CG 3.24Å; D765-H792 IonicContact OD1-ND1 3.16Å; D765-H792 PolarHBondContact OD1-ND1 3.01Å; H792-T794 PolarHBondContact O-N 3.12Å; H792-G809 CarbonylContact O-C 3.59Å; H792-G809 VanDerWaalsContact O-C 3.28Å
793	V	98.6	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.			trans	-76.8	116.5	168.4	-168.6	0	0	0	0	105.4	N749 A763 D764 K768 V769 H789 S791 T808	N749-V793 WeakPolarHBondContact CB-O 3.38Å; N749-V793 PolarHBondContact ND2-O 3.26Å; A763-V793 HydrophobicContact CB-CB 3.74Å; A763-V793 HydrophobicContact CB-CG1 3.55Å; A763-V793 WeakPolarHBondContact CB-O 3.06Å; D764-V793 PolarHBondContact O-N 3.14Å; K768-V793 WeakPolarHBondContact O-CG2 3.42Å; V769-V793 HydrophobicContact CG2-CG1 4.12Å; H789-V793 HydrophobicContact CB-CG2 3.88Å; S791-V793 PolarHBondContact O-N 3.34Å; V793-T808 CarbonylContact C-O 3.59Å; V793-T808 WeakPolarHBondContact CA-O 3.09Å; V793-T808 WeakPolarHBondContact CG1-O 3.45Å
794	T	98.5	Very high	97.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.151	C	C	.	.			trans	-90.1	-31.4	-168.6	48	0	0	0	0	112.4	L551 W552 H792 T808 G810	L551-T794 WeakPolarHBondContact O-CB 3.41Å; L551-T794 PolarHBondContact O-OG1 3.12Å; W552-T794 HydrophobicContact CD2-CG2 3.64Å; W552-T794 VanDerWaalsContact CE2-CG2 3.4Å; W552-T794 HydrophobicContact CE3-CG2 4.1Å; W552-T794 HydrophobicContact CG-CG2 4.08Å; W552-T794 HydrophobicContact CH2-CG2 4.14Å; W552-T794 HydrophobicContact CZ2-CG2 3.68Å; W552-T794 HydrophobicContact CZ3-CG2 4.33Å; H792-T794 PolarHBondContact O-N 3.12Å; T794-T808 PolarHBondContact N-O 2.87Å; T794-T808 PolarHBondContact OG1-O 3.39Å; T794-T808 PolarHBondContact OG1-OG1 3.24Å; T794-G810 VanDerWaalsContact CG2-CA 3.45Å; T794-G810 PolarHBondContact OG1-N 2.95Å
795	N	98.7	Very high	97.5	Very high	40 Å²	40	27 Å²	27	21%	0.214	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.6	-176.4	-147	-27.3	0	0	0	112.2	W552 L554 S807 T808	W552-N795 PolarHBondContact O-ND2 2.9Å; L554-N795 HydrophobicContact CB-CB 4.05Å; L554-N795 HydrophobicContact CD2-CB 4.26Å; N795-S807 VanDerWaalsContact O-CA 3.31Å; N795-S807 WeakPolarHBondContact O-CA 3.4Å; N795-T808 WeakPolarHBondContact CB-OG1 3.45Å; N795-T808 PolarHBondContact N-OG1 3.49Å; N795-T808 VanDerWaalsContact N-OG1 3.11Å; N795-T808 PolarHBondContact O-N 3.4Å; N795-T808 VanDerWaalsContact O-N 3.08Å
796	V	98.8	Very high	97.6	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.024	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	133	174	-86.2	0	0	0	0	110.3	A750 V752 A763 V769 L805 I806	A750-V796 HydrophobicContact CB-CG2 3.97Å; V752-V796 HydrophobicContact CG1-CB 4.16Å; V752-V796 HydrophobicContact CG1-CG2 4.07Å; V752-V796 WeakPolarHBondContact CG1-O 3.2Å; A763-V796 HydrophobicContact CB-CG1 4.03Å; A763-V796 HydrophobicContact CB-CG2 3.93Å; V769-V796 HydrophobicContact CG1-CG1 4.44Å; V769-V796 HydrophobicContact CG2-CG1 4.5Å; V796-L805 HydrophobicContact CB-CD1 4.36Å; V796-L805 HydrophobicContact CG1-CD2 4.05Å; V796-I806 WeakPolarHBondContact CA-O 3.36Å
797	S	98.6	Very high	97.6	Very high	21 Å²	21	19.7 Å²	19.7	15%	0.147	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.4	172	-171.1	0	0	0	0	111.7	T556 L805 I806	T556-S797 WeakPolarHBondContact CG2-OG 3.49Å; T556-S797 PolarHBondContact OG1-OG 3.13Å; S797-L805 WeakPolarHBondContact O-CD1 3.46Å; S797-I806 PolarHBondContact N-O 3.14Å; S797-I806 PolarHBondContact O-N 2.86Å
798	F	98.8	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	144	170.1	-75	-79.7	0	0	0	110.1	T556 V752 V759 A761 L771 L805 L820	T556-F798 WeakPolarHBondContact CB-O 3.12Å; T556-F798 WeakPolarHBondContact CG2-O 3.41Å; T556-F798 PolarHBondContact OG1-O 2.73Å; V752-F798 HydrophobicContact CG1-CD2 3.77Å; V752-F798 HydrophobicContact CG1-CE2 3.94Å; V752-F798 HydrophobicContact CG2-CD2 4.15Å; V759-F798 HydrophobicContact CG2-CE1 4.41Å; V759-F798 HydrophobicContact CG2-CE2 4.37Å; V759-F798 HydrophobicContact CG2-CZ 3.73Å; A761-F798 HydrophobicContact CB-CE2 3.77Å; A761-F798 HydrophobicContact CB-CZ 3.84Å; L771-F798 HydrophobicContact CD1-CZ 4.19Å; F798-L805 HydrophobicContact CD1-CB 4.18Å; F798-L805 HydrophobicContact CD1-CD1 3.83Å; F798-L805 HydrophobicContact CD2-CD1 3.85Å; F798-L805 HydrophobicContact CE1-CB 4.12Å; F798-L805 HydrophobicContact CE1-CD1 3.85Å; F798-L805 HydrophobicContact CE2-CD1 3.86Å; F798-L805 HydrophobicContact CG-CD1 3.83Å; F798-L805 HydrophobicContact CZ-CD1 3.86Å; F798-L820 HydrophobicContact CE1-CD1 4.47Å; F798-L820 HydrophobicContact CE1-CD2 4.27Å
799	L	98.5	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.			trans	-68	159.2	164	-57	-172.9	0	0	0	110.2	T556 E561 F563 S577 H755 S801 D802 H804 I806	T556-L799 HydrophobicContact CG2-CD2 3.71Å; E561-L799 VanDerWaalsContact OE2-CB 3.22Å; E561-L799 WeakPolarHBondContact OE2-CB 3.44Å; E561-L799 WeakPolarHBondContact OE2-CD1 3.13Å; F563-L799 HydrophobicContact CB-CD2 4.1Å; F563-L799 HydrophobicContact CD1-CD2 4.23Å; S577-L799 WeakPolarHBondContact OG-CD1 3.41Å; H755-L799 PolarHBondContact CE1-O 3.25Å; H755-L799 VanDerWaalsContact CE1-O 3.28Å; H755-L799 PolarHBondContact ND1-O 2.65Å; L799-S801 PolarHBondContact O-N 3.46Å; L799-D802 PolarHBondContact O-N 2.79Å; L799-H804 HydrophobicContact CD1-CB 3.88Å; L799-H804 HydrophobicContact CG-CB 4.21Å; L799-H804 PolarHBondContact N-O 2.73Å; L799-I806 HydrophobicContact CD1-CD1 4.49Å; L799-I806 HydrophobicContact CD2-CD1 4.15Å; L799-I806 HydrophobicContact CD2-CG1 3.65Å; L799-I806 HydrophobicContact CG-CD1 4.4Å; L799-I806 HydrophobicContact CG-CG1 4.2Å
800	H	95.6	Very high	97.8	Very high	62 Å²	62	16.9 Å²	16.9	29%	0.287	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-21	-168.2	75.4	108.9	0	0	0	116.2	R560 E561	R560-H800 VanDerWaalsContact C-NE2 3.3Å; R560-H800 PolarHBondContact O-CD2 2.8Å; E561-H800 PolarHBondContact N-NE2 2.96Å; E561-H800 IonicContact OE1-NE2 3.91Å; E561-H800 IonicContact OE2-CD2 3.35Å; E561-H800 IonicContact OE2-NE2 3.16Å
801	S	96.1	Very high	97.8	Very high	56 Å²	56	22.8 Å²	22.8	39%	0.392	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-1	-179.5	63	0	0	0	0	113.9	E561 L799 S803	E561-S801 WeakPolarHBondContact OE1-CB 3.39Å; E561-S801 PolarHBondContact OE1-OG 2.71Å; L799-S801 PolarHBondContact O-N 3.46Å; S801-S803 PolarHBondContact O-N 2.87Å; S801-S803 WeakPolarHBondContact OG-CB 3.49Å; S801-S803 PolarHBondContact OG-N 2.69Å; S801-S803 VanDerWaalsContact OG-N 3.16Å; S801-S803 PolarHBondContact OG-OG 3.03Å
802	D	97.6	Very high	97.9	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.053	12%	0.116	C	C	.	.	S	Bend	trans	55.7	12.1	-161.9	-59.1	-46.4	0	0	0	114.9	S754 H755 N756 L799 H804 L820	S754-D802 WeakPolarHBondContact CA-OD1 3.44Å; S754-D802 WeakPolarHBondContact CB-OD1 3.29Å; H755-D802 IonicContact CE1-OD1 2.74Å; H755-D802 IonicContact CG-OD1 3.59Å; H755-D802 PolarHBondContact N-OD1 3.24Å; H755-D802 PolarHBondContact N-OD2 2.66Å; H755-D802 VanDerWaalsContact N-OD2 3.16Å; H755-D802 IonicContact ND1-OD1 3.73Å; H755-D802 PolarHBondContact ND1-OD1 3.44Å; N756-D802 VanDerWaalsContact CB-OD2 3.3Å; N756-D802 WeakPolarHBondContact CB-OD2 3.41Å; N756-D802 PolarHBondContact N-OD2 3.06Å; N756-D802 PolarHBondContact ND2-OD2 3.41Å; L799-D802 PolarHBondContact O-N 2.79Å; D802-H804 VanDerWaalsContact C-N 3.29Å; D802-H804 PolarHBondContact O-N 2.85Å; D802-L820 HydrophobicContact CB-CD2 4.41Å; D802-L820 WeakPolarHBondContact O-CB 3.45Å; D802-L820 VanDerWaalsContact O-CD2 3.32Å; D802-L820 WeakPolarHBondContact O-CD2 3.15Å
803	S	96.4	Very high	98	Very high	34 Å²	34	19.4 Å²	19.4	24%	0.238	10%	0.104	C	C	.	.	S	Bend	trans	-62.2	-37.1	-178.7	67.3	0	0	0	0	112.5	E561 S801 L820	E561-S803 PolarHBondContact OE1-OG 3.08Å; S801-S803 PolarHBondContact O-N 2.87Å; S801-S803 WeakPolarHBondContact OG-CB 3.49Å; S801-S803 PolarHBondContact OG-N 2.69Å; S801-S803 VanDerWaalsContact OG-N 3.16Å; S801-S803 PolarHBondContact OG-OG 3.03Å; S803-L820 PolarHBondContact O-N 3.4Å
804	H	98.6	Very high	98	Very high	17 Å²	17	19.4 Å²	19.4	8%	0.079	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.3	179.6	-54.3	78.2	0	0	0	111.5	E216 L799 D802 Q817 W818 R819	E216-H804 IonicContact OE1-CD2 3.11Å; E216-H804 PolarHBondContact OE1-CD2 3.45Å; E216-H804 VanDerWaalsContact OE1-CD2 3.24Å; E216-H804 IonicContact OE1-CE1 3.55Å; E216-H804 IonicContact OE1-NE2 2.67Å; E216-H804 PolarHBondContact OE1-NE2 2.95Å; E216-H804 IonicContact OE2-NE2 2.78Å; L799-H804 HydrophobicContact CD1-CB 3.88Å; L799-H804 HydrophobicContact CG-CB 4.21Å; L799-H804 PolarHBondContact N-O 2.73Å; D802-H804 VanDerWaalsContact C-N 3.29Å; D802-H804 PolarHBondContact O-N 2.85Å; H804-Q817 HydrophobicContact CB-CG 4.21Å; H804-W818 CarbonylContact C-O 3.59Å; H804-W818 WeakPolarHBondContact CA-O 3.29Å; H804-R819 WeakPolarHBondContact CD2-CA 3.25Å; H804-R819 PolarHBondContact NE2-NE 3.47Å
805	L	98.8	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.3	162.3	-173.6	80.1	0	0	0	108.7	L213 V752 A761 V769 V796 S797 F798 W818	L213-L805 HydrophobicContact CD1-CD2 3.66Å; L213-L805 HydrophobicContact CD2-CB 4.1Å; L213-L805 HydrophobicContact CD2-CD2 4.48Å; V752-L805 HydrophobicContact CG1-CD1 3.99Å; A761-L805 HydrophobicContact CB-CD1 3.43Å; A761-L805 VanDerWaalsContact CB-CD1 3.43Å; A761-L805 HydrophobicContact CB-CD2 3.57Å; A761-L805 HydrophobicContact CB-CG 4.16Å; V769-L805 HydrophobicContact CG1-CD2 3.69Å; V796-L805 HydrophobicContact CB-CD1 4.36Å; V796-L805 HydrophobicContact CG1-CD2 4.05Å; S797-L805 WeakPolarHBondContact O-CD1 3.46Å; F798-L805 HydrophobicContact CD1-CB 4.18Å; F798-L805 HydrophobicContact CD1-CD1 3.83Å; F798-L805 HydrophobicContact CD2-CD1 3.85Å; F798-L805 HydrophobicContact CE1-CB 4.12Å; F798-L805 HydrophobicContact CE1-CD1 3.85Å; F798-L805 HydrophobicContact CE2-CD1 3.86Å; F798-L805 HydrophobicContact CG-CD1 3.83Å; F798-L805 HydrophobicContact CZ-CD1 3.86Å; L805-W818 HydrophobicContact CB-CB 4.34Å; L805-W818 PolarHBondContact N-O 2.72Å; L805-W818 PolarHBondContact O-N 3.01Å
806	I	98.9	Very high	98.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.2	167	-51.5	-59	0	0	0	108.5	L554 F563 V796 S797 L799 V815 M816 Q817	L554-I806 HydrophobicContact CD1-CB 4.11Å; L554-I806 HydrophobicContact CD1-CG2 3.61Å; L554-I806 HydrophobicContact CD2-CB 4.23Å; L554-I806 HydrophobicContact CD2-CG2 4.17Å; F563-I806 HydrophobicContact CB-CG1 4.38Å; F563-I806 HydrophobicContact CD1-CD1 3.78Å; F563-I806 HydrophobicContact CD1-CG1 3.9Å; F563-I806 HydrophobicContact CD2-CG1 4.46Å; F563-I806 HydrophobicContact CD2-CG2 4.03Å; F563-I806 HydrophobicContact CE1-CD1 3.75Å; F563-I806 HydrophobicContact CE1-CG1 4.31Å; F563-I806 HydrophobicContact CE2-CG2 4.09Å; F563-I806 HydrophobicContact CG-CD1 4.34Å; F563-I806 HydrophobicContact CG-CG1 3.99Å; F563-I806 HydrophobicContact CG-CG2 4.4Å; F563-I806 HydrophobicContact CZ-CD1 4.3Å; F563-I806 HydrophobicContact CZ-CG2 4.48Å; V796-I806 WeakPolarHBondContact CA-O 3.36Å; S797-I806 PolarHBondContact N-O 3.14Å; S797-I806 PolarHBondContact O-N 2.86Å; L799-I806 HydrophobicContact CD1-CD1 4.49Å; L799-I806 HydrophobicContact CD2-CD1 4.15Å; L799-I806 HydrophobicContact CD2-CG1 3.65Å; L799-I806 HydrophobicContact CG-CD1 4.4Å; L799-I806 HydrophobicContact CG-CG1 4.2Å; I806-V815 HydrophobicContact CG2-CG1 3.44Å; I806-V815 VanDerWaalsContact CG2-CG1 3.44Å; I806-M816 CarbonylContact C-O 3.43Å; I806-M816 WeakPolarHBondContact CA-O 3.36Å; I806-Q817 HydrophobicContact CD1-CB 3.85Å; I806-Q817 HydrophobicContact CD1-CG 3.92Å
807	S	98.9	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.8	170.7	65.6	0	0	0	0	112.5	H789 N795 V815 M816 W818	H789-S807 PolarHBondContact NE2-OG 2.87Å; N795-S807 VanDerWaalsContact O-CA 3.31Å; N795-S807 WeakPolarHBondContact O-CA 3.4Å; S807-V815 WeakPolarHBondContact O-CA 3.41Å; S807-M816 PolarHBondContact N-O 2.7Å; S807-M816 PolarHBondContact O-N 3.13Å; S807-W818 PolarHBondContact OG-NE1 3.47Å
808	T	98.8	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.6	178.1	54	0	0	0	0	111.6	L551 L554 T565 V793 T794 N795	L551-T808 HydrophobicContact CD1-CG2 4.37Å; L551-T808 HydrophobicContact CD2-CG2 3.62Å; L551-T808 HydrophobicContact CG-CG2 3.79Å; L554-T808 HydrophobicContact CB-CG2 4.11Å; L554-T808 HydrophobicContact CD2-CG2 4.4Å; T565-T808 HydrophobicContact CG2-CG2 4.42Å; V793-T808 CarbonylContact C-O 3.59Å; V793-T808 WeakPolarHBondContact CA-O 3.09Å; V793-T808 WeakPolarHBondContact CG1-O 3.45Å; T794-T808 PolarHBondContact N-O 2.87Å; T794-T808 PolarHBondContact OG1-O 3.39Å; T794-T808 PolarHBondContact OG1-OG1 3.24Å; N795-T808 WeakPolarHBondContact CB-OG1 3.45Å; N795-T808 PolarHBondContact N-OG1 3.49Å; N795-T808 VanDerWaalsContact N-OG1 3.11Å; N795-T808 PolarHBondContact O-N 3.4Å; N795-T808 VanDerWaalsContact O-N 3.08Å
809	G	98	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.			trans	-100.2	20.2	-170.5	0	0	0	0	0	116.9	H789 S791 H792 K811 D812 S814	H789-G809 WeakPolarHBondContact CE1-CA 3.5Å; H789-G809 PolarHBondContact CE1-N 3.39Å; H789-G809 VanDerWaalsContact CE1-N 3.3Å; H789-G809 WeakPolarHBondContact ND1-CA 3.44Å; S791-G809 WeakPolarHBondContact CB-O 3.36Å; H792-G809 CarbonylContact O-C 3.59Å; H792-G809 VanDerWaalsContact O-C 3.28Å; G809-K811 PolarHBondContact O-N 3.08Å; G809-D812 WeakPolarHBondContact CA-OD1 3.41Å; G809-D812 PolarHBondContact O-N 3.08Å; G809-S814 PolarHBondContact N-O 2.91Å
810	G	98	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	52.8	-116.3	179.6	0	0	0	0	0	112.5	E550 L551 T794 D812 T813	E550-G810 WeakPolarHBondContact CA-O 3.1Å; L551-G810 PolarHBondContact N-O 3.01Å; L551-G810 VanDerWaalsContact N-O 3.14Å; L551-G810 VanDerWaalsContact O-CA 3.31Å; L551-G810 WeakPolarHBondContact O-CA 3.43Å; L551-G810 PolarHBondContact O-N 3.1Å; T794-G810 VanDerWaalsContact CG2-CA 3.45Å; T794-G810 PolarHBondContact OG1-N 2.95Å; G810-D812 VanDerWaalsContact C-N 3.29Å; G810-D812 PolarHBondContact O-N 2.86Å; G810-T813 PolarHBondContact O-N 2.94Å
811	K	97.5	Very high	98	Very high	137 Å²	137	23.3 Å²	23.3	60%	0.596	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.1	-177.1	-59.3	179.5	179.9	178.4	0	114.6	E550 G809 T813	E550-K811 HydrophobicContact CB-CG 3.98Å; E550-K811 HydrophobicContact CG-CG 3.75Å; E550-K811 VanDerWaalsContact OE1-CE 3.31Å; E550-K811 WeakPolarHBondContact OE1-CE 3.36Å; E550-K811 WeakPolarHBondContact OE2-CE 3.5Å; E550-K811 IonicContact OE2-NZ 3.84Å; G809-K811 PolarHBondContact O-N 3.08Å; K811-T813 VanDerWaalsContact C-N 3.26Å
812	D	97.3	Very high	97.7	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.048	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6.6	166.7	81.9	31.5	0	0	0	113.2	A243 H789 S790 S791 G809 G810 S814	A243-D812 HydrophobicContact CB-CB 3.84Å; A243-D812 WeakPolarHBondContact CB-OD2 3.39Å; H789-D812 WeakPolarHBondContact CA-OD2 3.05Å; H789-D812 VanDerWaalsContact CB-OD2 3.32Å; H789-D812 WeakPolarHBondContact CB-OD2 3.33Å; H789-D812 IonicContact CG-OD2 2.67Å; H789-D812 IonicContact ND1-OD1 3.28Å; H789-D812 IonicContact ND1-OD2 2.85Å; H789-D812 PolarHBondContact ND1-OD2 3.47Å; S790-D812 PolarHBondContact N-OD2 2.96Å; S791-D812 PolarHBondContact N-OD2 3.11Å; G809-D812 WeakPolarHBondContact CA-OD1 3.41Å; G809-D812 PolarHBondContact O-N 3.08Å; G810-D812 VanDerWaalsContact C-N 3.29Å; G810-D812 PolarHBondContact O-N 2.86Å; D812-S814 PolarHBondContact O-N 3.01Å; D812-S814 VanDerWaalsContact O-N 3.13Å; D812-S814 WeakPolarHBondContact OD1-CB 3.24Å; D812-S814 PolarHBondContact OD1-N 2.95Å; D812-S814 PolarHBondContact OD1-OG 3.48Å
813	T	98.1	Very high	96.7	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.098	15%	0.153	C	C	.	.			trans	63.8	3.5	175.1	66.3	0	0	0	0	116.3	N529 H547 G810 K811	N529-T813 PolarHBondContact ND2-OG1 3.02Å; H547-T813 WeakPolarHBondContact O-CB 3.49Å; G810-T813 PolarHBondContact O-N 2.94Å; K811-T813 VanDerWaalsContact C-N 3.26Å
814	S	98.4	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.182	C	C	.	.			trans	-90	152.2	-177.3	69.6	0	0	0	0	114	H789 G809 D812 M816	H789-S814 PolarHBondContact CE1-OG 2.65Å; H789-S814 VanDerWaalsContact CE1-OG 3.28Å; H789-S814 PolarHBondContact ND1-OG 2.9Å; G809-S814 PolarHBondContact N-O 2.91Å; D812-S814 PolarHBondContact O-N 3.01Å; D812-S814 VanDerWaalsContact O-N 3.13Å; D812-S814 WeakPolarHBondContact OD1-CB 3.24Å; D812-S814 PolarHBondContact OD1-N 2.95Å; D812-S814 PolarHBondContact OD1-OG 3.48Å; S814-M816 VanDerWaalsContact OG-CE 3.28Å; S814-M816 WeakPolarHBondContact OG-CE 3.46Å
815	V	98.9	Very high	92.7	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.8	160.3	-172.3	0	0	0	0	107.7	V218 Y219 L551 F563 T565 I806 S807	V218-V815 WeakPolarHBondContact CA-O 3.28Å; Y219-V815 HydrophobicContact CD2-CB 3.96Å; Y219-V815 HydrophobicContact CD2-CG1 4.16Å; Y219-V815 HydrophobicContact CG-CB 4.39Å; Y219-V815 PolarHBondContact N-O 3.49Å; L551-V815 HydrophobicContact CD2-CG2 3.57Å; F563-V815 HydrophobicContact CE2-CG1 3.84Å; F563-V815 HydrophobicContact CZ-CG1 4.23Å; T565-V815 HydrophobicContact CG2-CG2 3.94Å; I806-V815 HydrophobicContact CG2-CG1 3.44Å; I806-V815 VanDerWaalsContact CG2-CG1 3.44Å; S807-V815 WeakPolarHBondContact O-CA 3.41Å
816	M	98.8	Very high	90	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.7	179.7	-61.5	-167.2	-176.5	0	0	111.4	L215 W217 V218 A243 V245 A788 I806 S807 S814 W818	L215-M816 HydrophobicContact CD1-CB 3.92Å; L215-M816 HydrophobicContact CD1-CG 4.39Å; L215-M816 HydrophobicContact CD1-SD 4.3Å; W217-M816 WeakPolarHBondContact O-CA 3.16Å; V218-M816 HydrophobicContact CG1-CE 4.12Å; V218-M816 HydrophobicContact CG1-CG 4.27Å; V218-M816 HydrophobicContact CG2-CE 4.44Å; V218-M816 HydrophobicContact CG2-CG 4.19Å; V218-M816 HydrophobicContact CG2-SD 4.39Å; A243-M816 HydrophobicContact CB-CE 3.87Å; V245-M816 HydrophobicContact CG2-CE 3.85Å; A788-M816 HydrophobicContact CB-CE 3.87Å; A788-M816 HydrophobicContact CB-SD 3.29Å; A788-M816 WeakPolarHBondContact CB-SD 3.43Å; I806-M816 CarbonylContact C-O 3.43Å; I806-M816 WeakPolarHBondContact CA-O 3.36Å; S807-M816 PolarHBondContact N-O 2.7Å; S807-M816 PolarHBondContact O-N 3.13Å; S814-M816 VanDerWaalsContact OG-CE 3.28Å; S814-M816 WeakPolarHBondContact OG-CE 3.46Å; M816-W818 HydrophobicContact CB-CZ2 4.08Å; M816-W818 VanDerWaalsContact O-CD1 3.32Å; M816-W818 PolarHBondContact O-NE1 2.94Å; M816-W818 HydrophobicContact SD-CZ2 4.02Å
817	Q	98.8	Very high	86.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.9	177.2	173.5	171.1	-29.2	0	0	109.6	E216 W217 Y219 S577 H580 H804 I806	E216-Q817 PolarHBondContact N-O 2.91Å; E216-Q817 PolarHBondContact OE1-NE2 2.93Å; W217-Q817 HydrophobicContact CB-CB 4.01Å; W217-Q817 PolarHBondContact N-O 3.09Å; W217-Q817 PolarHBondContact O-N 2.88Å; Y219-Q817 HydrophobicContact CE2-CB 4.12Å; Y219-Q817 PolarHBondContact OH-OE1 2.86Å; S577-Q817 PolarHBondContact O-NE2 3.1Å; S577-Q817 PolarHBondContact O-OE1 2.77Å; H580-Q817 PolarHBondContact CE1-NE2 3.06Å; H580-Q817 VanDerWaalsContact CE1-NE2 3.34Å; H804-Q817 HydrophobicContact CB-CG 4.21Å; I806-Q817 HydrophobicContact CD1-CB 3.85Å; I806-Q817 HydrophobicContact CD1-CG 3.92Å
818	W	98.8	Very high	83.9	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.4	-173.6	-47.3	81.2	0	0	0	110.2	L213 K214 L215 V769 Y786 A788 H804 L805 S807 M816 L820	L213-W818 HydrophobicContact CB-CB 4.06Å; L213-W818 HydrophobicContact CB-CE3 4.29Å; L213-W818 HydrophobicContact CD1-CB 4.26Å; L213-W818 HydrophobicContact CD1-CG 4.37Å; L213-W818 HydrophobicContact CD2-CB 4.09Å; L213-W818 HydrophobicContact CG-CB 4.36Å; K214-W818 CarbonylContact O-C 3.43Å; K214-W818 VanDerWaalsContact O-CA 3.28Å; K214-W818 WeakPolarHBondContact O-CA 3.48Å; L215-W818 HydrophobicContact CB-CE3 3.87Å; L215-W818 HydrophobicContact CB-CZ3 3.89Å; L215-W818 HydrophobicContact CD1-CD2 4.03Å; L215-W818 HydrophobicContact CD1-CE3 4.01Å; L215-W818 HydrophobicContact CD1-CH2 4.28Å; L215-W818 HydrophobicContact CD1-CZ2 4.29Å; L215-W818 HydrophobicContact CD1-CZ3 4.13Å; L215-W818 HydrophobicContact CG-CZ3 4.5Å; V769-W818 HydrophobicContact CB-CZ2 4.38Å; V769-W818 HydrophobicContact CG2-CZ2 3.89Å; Y786-W818 HydrophobicContact CG-CZ3 4.27Å; A788-W818 HydrophobicContact CB-CH2 3.68Å; A788-W818 HydrophobicContact CB-CZ2 4.22Å; H804-W818 CarbonylContact C-O 3.59Å; H804-W818 WeakPolarHBondContact CA-O 3.29Å; L805-W818 HydrophobicContact CB-CB 4.34Å; L805-W818 PolarHBondContact N-O 2.72Å; L805-W818 PolarHBondContact O-N 3.01Å; S807-W818 PolarHBondContact OG-NE1 3.47Å; M816-W818 HydrophobicContact CB-CZ2 4.08Å; M816-W818 VanDerWaalsContact O-CD1 3.32Å; M816-W818 PolarHBondContact O-NE1 2.94Å; M816-W818 HydrophobicContact SD-CZ2 4.02Å; W818-L820 PolarHBondContact O-N 3.35Å
819	R	98.4	Very high	81	Confident	116 Å²	116	70.4 Å²	70.4	44%	0.438	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.8	174.6	-170.8	176.3	-63.3	-124	-6.7	110.6	L213 K214 E216 H804 V821	L213-R819 WeakPolarHBondContact CA-O 3.12Å; K214-R819 PolarHBondContact N-O 2.93Å; K214-R819 PolarHBondContact O-N 2.65Å; E216-R819 IonicContact OE1-NH2 3.66Å; E216-R819 IonicContact OE2-CZ 3.37Å; E216-R819 IonicContact OE2-NE 3.96Å; E216-R819 PolarHBondContact OE2-NE 3.34Å; E216-R819 IonicContact OE2-NH2 3.91Å; E216-R819 PolarHBondContact OE2-NH2 2.96Å; H804-R819 WeakPolarHBondContact CD2-CA 3.25Å; H804-R819 PolarHBondContact NE2-NE 3.47Å; R819-V821 HydrophobicContact CB-CG1 4.38Å; R819-V821 HydrophobicContact CG-CG1 3.95Å; R819-V821 PolarHBondContact O-N 3.26Å
820	L	97.5	Very high	77.9	Confident	32 Å²	32	76.4 Å²	76.4	17%	0.168	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	106.4	172.3	-168.8	68.7	0	0	0	108.8	E211 R212 L213 L771 F798 D802 S803 W818	E211-L820 HydrophobicContact CB-CD1 3.92Å; E211-L820 HydrophobicContact CB-CG 4.28Å; R212-L820 CarbonylContact O-C 3.6Å; R212-L820 WeakPolarHBondContact O-CA 3.46Å; L213-L820 HydrophobicContact CD2-CD1 3.8Å; L771-L820 HydrophobicContact CD1-CD1 4.47Å; L771-L820 HydrophobicContact CD2-CD1 3.99Å; F798-L820 HydrophobicContact CE1-CD1 4.47Å; F798-L820 HydrophobicContact CE1-CD2 4.27Å; D802-L820 HydrophobicContact CB-CD2 4.41Å; D802-L820 WeakPolarHBondContact O-CB 3.45Å; D802-L820 VanDerWaalsContact O-CD2 3.32Å; D802-L820 WeakPolarHBondContact O-CD2 3.15Å; S803-L820 PolarHBondContact O-N 3.4Å; W818-L820 PolarHBondContact O-N 3.35Å
821	V	96.4	Very high	75	Confident	56 Å²	56	80.9 Å²	80.9	34%	0.339	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.2	-178.7	-64.6	0	0	0	0	110.5	R212 K214 R819	R212-V821 HydrophobicContact CB-CG2 4.19Å; R212-V821 PolarHBondContact N-O 2.84Å; R212-V821 WeakPolarHBondContact O-CG2 3.43Å; R212-V821 PolarHBondContact O-N 2.86Å; K214-V821 HydrophobicContact CB-CG2 4.29Å; R819-V821 HydrophobicContact CB-CG1 4.38Å; R819-V821 HydrophobicContact CG-CG1 3.95Å; R819-V821 PolarHBondContact O-N 3.26Å
822	R	89.5	Confident	72.2	Confident	171 Å²	171	78.9 Å²	78.9	65%	0.645	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.2	175.8	-161.2	175.5	-154.2	-144	-3.1	109.9	E211 L824	E211-R822 HydrophobicContact CG-CB 4.46Å; E211-R822 HydrophobicContact CG-CG 4.23Å; E211-R822 WeakPolarHBondContact OE1-CD 3.48Å; E211-R822 IonicContact OE1-CZ 3.71Å; E211-R822 IonicContact OE1-NE 3.28Å; E211-R822 PolarHBondContact OE1-NE 3.28Å; E211-R822 IonicContact OE1-NH2 2.83Å; R822-L824 PolarHBondContact O-N 3.42Å; R822-L824 VanDerWaalsContact O-N 3.14Å
823	K	76.1	Confident	69.1	Low	124 Å²	124	90 Å²	90	54%	0.539	48%	0.483	S	S	.	.			trans	-67.6	115.7	169.4	-167.1	-171.5	176.2	-169.2	0	108.2	P210 V825	P210-K823 WeakPolarHBondContact O-CB 3.34Å; P210-K823 PolarHBondContact O-N 3.48Å; K823-V825 PolarHBondContact O-N 3.18Å; K823-V825 VanDerWaalsContact O-N 3.11Å
824	L	57.8	Low	66	Low	161 Å²	161	100.1 Å²	100.1	84%	0.843	52%	0.519	S	S	*	.			trans	-58.7	115.8	161.8	-72.2	172.4	0	0	0	107.5	R822 D826	R822-L824 PolarHBondContact O-N 3.42Å; R822-L824 VanDerWaalsContact O-N 3.14Å; L824-D826 PolarHBondContact O-N 3.34Å
825	V	52.4	Low	62.9	Low	118 Å²	118	105.7 Å²	105.7	72%	0.715	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-73.2	120.7	172.8	-178	0	0	0	0	106.5	K823 A827	K823-V825 PolarHBondContact O-N 3.18Å; K823-V825 VanDerWaalsContact O-N 3.11Å; V825-A827 PolarHBondContact O-N 3.35Å; V825-A827 VanDerWaalsContact O-N 3.12Å
826	D	42.4	Very low	59.7	Low	132 Å²	132	113.4 Å²	113.4	71%	0.706	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-50.7	121.4	172.3	-63.9	-71.3	0	0	0	108.8	L824	L824-D826 PolarHBondContact O-N 3.34Å
827	A	32	Very low	56.6	Low	84 Å²	84	119.6 Å²	119.6	69%	0.694	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-53.7	132.2	-176.3	0	0	0	0	0	109.4	V825 K829	V825-A827 PolarHBondContact O-N 3.35Å; V825-A827 VanDerWaalsContact O-N 3.12Å; A827-K829 PolarHBondContact O-N 2.67Å
828	P	37.6	Very low	53.4	Low	120 Å²	120	125 Å²	125	78%	0.779	68%	0.679	S	S	*	*			trans	-59.4	113.7	-171.8	23.1	-33.4	0	0	0	109.3
829	K	38.1	Very low	50.2	Low	196 Å²	196	128.2 Å²	128.2	85%	0.852	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-51	126.7	175.8	-76.2	-175.1	175.9	179.8	0	107.8	A827 A831	A827-K829 PolarHBondContact O-N 2.67Å; K829-A831 PolarHBondContact O-N 3.48Å; K829-A831 VanDerWaalsContact O-N 3.16Å
830	P	33	Very low	47	Very low	125 Å²	125	130.3 Å²	130.3	81%	0.812	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55	126	-170.8	20.4	-32.5	0	0	0	109.5	A832	P830-A832 PolarHBondContact O-N 2.92Å; P830-A832 VanDerWaalsContact O-N 3.1Å
831	A	36.6	Very low	44.1	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.6	-165.4	0	0	0	0	0	111	K829 R833	K829-A831 PolarHBondContact O-N 3.48Å; K829-A831 VanDerWaalsContact O-N 3.16Å; A831-R833 PolarHBondContact O-N 3.03Å
832	A	39.4	Very low	41.1	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	79%	0.787	S	S	*	*			trans	-59.2	111.4	173.8	0	0	0	0	0	108.8	P830 R834	P830-A832 PolarHBondContact O-N 2.92Å; P830-A832 VanDerWaalsContact O-N 3.1Å; A832-R834 PolarHBondContact O-N 3.3Å
833	R	32.3	Very low	38.2	Very low	243 Å²	243	132.1 Å²	132.1	92%	0.917	79%	0.792	S	S	*	*			trans	-54.5	111.9	177.1	-82.9	-179	166	-179.3	-4.8	109.1	A831	A831-R833 PolarHBondContact O-N 3.03Å
834	R	33.4	Very low	36.1	Very low	229 Å²	229	133.6 Å²	133.6	86%	0.864	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.2	134.3	160.9	-70	-175.1	175.3	-172.3	-1.4	107.8	A832	A832-R834 PolarHBondContact O-N 3.3Å
835	P	32.8	Very low	34.8	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.7	135.1	172.7	28.8	-32.8	0	0	0	109.7
836	N	31.9	Very low	33.8	Very low	166 Å²	166	130.7 Å²	130.7	89%	0.888	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.5	146.8	166.6	-75.8	-6.3	0	0	0	109.6
837	T	33.5	Very low	33.3	Very low	130 Å²	130	129.2 Å²	129.2	80%	0.798	81%	0.811	S	S	*	*			trans	-119.9	154.1	172.9	50.1	0	0	0	0	110.7
838	A	32	Very low	33.4	Very low	114 Å²	114	128.9 Å²	128.9	94%	0.942	81%	0.808	S	S	*	*			trans	77.2	138.6	-178	0	0	0	0	0	116.4
839	G	30.3	Very low	33.1	Very low	71 Å²	71	130.5 Å²	130.5	73%	0.732	81%	0.81	S	S	*	*			trans	133.1	91.8	-176.9	0	0	0	0	0	111.8
840	D	32.9	Very low	32.8	Very low	160 Å²	160	127.7 Å²	127.7	86%	0.856	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.7	143.9	-175.3	-53.4	-82.4	0	0	0	113.7
841	P	35.7	Very low	32.7	Very low	121 Å²	121	126.5 Å²	126.5	79%	0.786	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-85.3	145.4	159.7	34.4	-30.8	0	0	0	111
842	A	33.2	Very low	32.4	Very low	103 Å²	103	125.4 Å²	125.4	85%	0.851	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-65	148.7	166.5	0	0	0	0	0	110.5
843	G	29.8	Very low	32	Very low	73 Å²	73	129 Å²	129	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.3	159.9	177.9	0	0	0	0	0	113.1
844	D	31.2	Very low	31.9	Very low	154 Å²	154	122.3 Å²	122.3	82%	0.824	81%	0.811	S	S	*	*				-149.6	-173.6	118.8	-139.3	-43.6	0	0	0	110.5
845	T	30.8	Very low	31.9	Very low	126 Å²	126	116.6 Å²	116.6	77%	0.773	81%	0.813	S	S	*	*			trans	-93.9	163.4	-155.2	46.1	0	0	0	0	116.9
846	A	31.7	Very low	31.9	Very low	92 Å²	92	115.7 Å²	115.7	76%	0.76	82%	0.815	S	S	*	*			trans	84.7	115.1	152.2	0	0	0	0	0	121.2
847	A	32.1	Very low	31.9	Very low	101 Å²	101	114.8 Å²	114.8	84%	0.835	82%	0.816	S	S	*	*				52.8	147.5	127	0	0	0	0	0	122.4
848	A	32.2	Very low	31.9	Very low	77 Å²	77	117.3 Å²	117.3	64%	0.636	82%	0.818	S	S	*	*			cis	-171.7	158.2	-17.9	0	0	0	0	0	109.7
849	N	32.1	Very low	33.1	Very low	154 Å²	154	116.6 Å²	116.6	82%	0.824	81%	0.805	S	S	*	*			trans	67	154.2	167.7	-53.8	-24.6	0	0	0	115.7
850	T	31.4	Very low	33.2	Very low	137 Å²	137	121.3 Å²	121.3	84%	0.84	81%	0.812	S	S	*	*			cis	-147.6	177.1	7.2	-19.9	0	0	0	0	111.6
851	A	31.8	Very low	33.3	Very low	101 Å²	101	118.4 Å²	118.4	84%	0.835	81%	0.81	S	S	*	*			trans	-49.9	165.8	178.9	0	0	0	0	0	116.9
852	G	30.4	Very low	33	Very low	70 Å²	70	116.3 Å²	116.3	72%	0.722	81%	0.81	S	S	*	*			cis	-174.2	-167	9.3	0	0	0	0	0	115.5
853	D	30.9	Very low	33.9	Very low	171 Å²	171	116.7 Å²	116.7	91%	0.914	80%	0.804	S	S	*	*			trans	-74	162	-160.9	-59.3	-78.2	0	0	0	118.1
854	A	30.2	Very low	34.3	Very low	103 Å²	103	120.4 Å²	120.4	85%	0.851	81%	0.807	S	S	*	*			trans	-123	141	156.2	0	0	0	0	0	109.8
855	A	32.9	Very low	35.1	Very low	109 Å²	109	119.4 Å²	119.4	90%	0.901	81%	0.809	S	S	*	*			trans	-84.3	165.9	-163.8	0	0	0	0	0	115.4
856	A	33.6	Very low	35.2	Very low	97 Å²	97	118 Å²	118	80%	0.802	81%	0.81	S	S	*	*			trans	-121.3	137.7	177	0	0	0	0	0	112.5
857	T	30.9	Very low	35.2	Very low	147 Å²	147	118.6 Å²	118.6	90%	0.902	82%	0.815	S	S	*	*			trans	-155.2	149.8	163.7	21.3	0	0	0	0	111.4
858	Q	33.3	Very low	35.1	Very low	182 Å²	182	118.8 Å²	118.8	85%	0.85	82%	0.817	S	S	*	*			trans	-130.7	-170.8	172.5	-68.5	-170.4	-12.4	0	0	108
859	P	57.6	Low	35	Very low	100 Å²	100	123.6 Å²	123.6	65%	0.649	83%	0.826	S	S	*	*			cis	-130.2	-161.6	-32.9	20.6	4.5	0	0	0	112.2
860	L	32	Very low	35	Very low	170 Å²	170	124 Å²	124	89%	0.89	83%	0.828	S	S	*	*			trans	116.3	168.9	148	-63.5	165.1	0	0	0	118.1
861	A	35	Very low	35.6	Very low	99 Å²	99	122.7 Å²	122.7	82%	0.818	82%	0.822	S	S	*	*			trans	-146.8	155.2	-146	0	0	0	0	0	116.9
862	G	30.8	Very low	35.8	Very low	76 Å²	76	124.4 Å²	124.4	78%	0.784	82%	0.817	S	S	*	*			trans	72	176.9	158.5	0	0	0	0	0	118
863	P	52.2	Low	36.5	Very low	112 Å²	112	126.8 Å²	126.8	73%	0.727	82%	0.82	S	S	*	*			cis	-134.5	-177.7	-10.1	43.2	-27.1	0	0	0	115.1
864	D	37.9	Very low	36.6	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	81%	0.807	S	S	*	*			trans	50.7	152.3	154.9	-55	-14.2	0	0	0	122.5
865	P	48.1	Very low	36.7	Very low	134 Å²	134	123 Å²	123	87%	0.87	80%	0.8	S	S	*	*				-148.4	-169.6	100.6	41.3	-24.2	0	0	0	114.8
866	A	32.3	Very low	36.7	Very low	97 Å²	97	128.7 Å²	128.7	80%	0.802	80%	0.799	S	S	*	*			trans	-138.5	163.4	-173.2	0	0	0	0	0	115.1
867	A	31.4	Very low	36.5	Very low	104 Å²	104	130.6 Å²	130.6	86%	0.86	80%	0.8	S	S	*	*			trans	60.5	132.1	156.8	0	0	0	0	0	121.5
868	A	30.6	Very low	36.5	Very low	105 Å²	105	128 Å²	128	87%	0.868	79%	0.793	S	S	*	*			trans	173.7	163.2	133.2	0	0	0	0	0	112.8
869	E	29.4	Very low	36.4	Very low	178 Å²	178	124 Å²	124	83%	0.832	79%	0.791	S	S	*	*			trans	-79.6	167.7	-172.5	-55.6	154	123.9	0	0	114.7
870	N	32.1	Very low	35.1	Very low	162 Å²	162	128.9 Å²	128.9	87%	0.866	81%	0.805	S	S	*	*				-173.4	164.4	126.8	-101.7	-70.7	0	0	0	112.5
871	P	44.3	Very low	35	Very low	110 Å²	110	124.5 Å²	124.5	71%	0.714	80%	0.801	S	S	*	*			trans	-107.5	176.9	-161.7	41.6	-38	0	0	0	117.1
872	D	34.8	Very low	34.9	Very low	137 Å²	137	126.5 Å²	126.5	73%	0.733	80%	0.803	S	S	*	*			trans	-69.3	150.9	169	180	54	0	0	0	113.2
873	P	45.3	Very low	36.1	Very low	120 Å²	120	128.3 Å²	128.3	78%	0.779	80%	0.801	S	S	*	*				-144.2	163.1	123.8	39.5	-26.7	0	0	0	115.5
874	S	34.8	Very low	36.4	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	80%	0.803	S	S	*	*			trans	-106.4	156.2	-165.4	60.8	0	0	0	0	117.7
875	S	30.4	Very low	37.2	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	80%	0.797	S	S	*	*			trans	99.8	147.8	137.9	85.8	0	0	0	0	122.6
876	R	32.9	Very low	36.7	Very low	229 Å²	229	129.4 Å²	129.4	86%	0.864	80%	0.802	S	S	*	*			trans	96.3	123	147.4	-74.7	178.8	177.4	-152.2	-3.2	122.9
877	V	30.7	Very low	36.6	Very low	137 Å²	137	128.2 Å²	128.2	83%	0.83	80%	0.799	S	S	*	*			trans	74.7	151.4	140	172.8	0	0	0	0	118.3
878	A	30.6	Very low	36.7	Very low	92 Å²	92	129.2 Å²	129.2	76%	0.76	80%	0.799	S	S	*	*				166	130.7	-53	0	0	0	0	0	110.5
879	A	30.9	Very low	36.9	Very low	97 Å²	97	130.6 Å²	130.6	80%	0.802	80%	0.797	S	S	*	*			trans	-176.4	126.3	163.5	0	0	0	0	0	107.5
880	E	30	Very low	37.7	Very low	204 Å²	204	127.6 Å²	127.6	95%	0.953	79%	0.793	S	S	*	*				78.4	127.5	68.7	-89.9	-165.1	160.1	0	0	116.2
881	G	29.7	Very low	38.6	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	79%	0.791	S	S	*	*			trans	157.2	111	179	0	0	0	0	0	112.7
882	T	33.2	Very low	38.8	Very low	142 Å²	142	126.1 Å²	126.1	87%	0.871	79%	0.792	S	S	*	*			trans	-102.7	158.5	-164.5	25.9	0	0	0	0	116.4
883	P	57.1	Low	39.1	Very low	113 Å²	113	124.8 Å²	124.8	73%	0.734	79%	0.794	S	S	*	*			trans	-95.4	177.3	177.5	42.5	-37.8	0	0	0	112.5
884	P	57.9	Low	38.5	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	80%	0.795	S	S	*	*				-150.4	-153.8	92.8	45.3	-26.4	0	0	0	111.1
885	P	55.3	Low	38.5	Very low	106 Å²	106	126.1 Å²	126.1	69%	0.688	79%	0.794	S	S	*	*			cis	-138.1	155.5	-11.1	38.8	-20.1	0	0	0	118.9
886	M	37.6	Very low	38.6	Very low	196 Å²	196	127.2 Å²	127.2	97%	0.966	80%	0.797	S	S	*	*			trans	62.6	148.3	149.6	-59.4	-128.3	-75.8	0	0	120.7
887	G	30.5	Very low	38.5	Very low	72 Å²	72	124 Å²	124	74%	0.742	80%	0.796	S	S	*	*			cis	-162.7	173.7	-3.1	0	0	0	0	0	109.4
888	S	32	Very low	38.5	Very low	124 Å²	124	121.6 Å²	121.6	87%	0.867	79%	0.785	S	S	*	*			cis	-153.1	163.2	31.8	54.2	0	0	0	0	113.8
889	T	35.1	Very low	38.5	Very low	135 Å²	135	124.4 Å²	124.4	83%	0.828	79%	0.787	S	S	*	*			trans	-115.2	163.1	-176	42.7	0	0	0	0	114.8
890	P	47.2	Very low	38.5	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	78%	0.784	S	S	*	*			trans	-89.6	169.7	179.9	37.1	-37.5	0	0	0	114.9
891	P	50.7	Low	38.5	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	77%	0.773	S	S	*	*			trans	-102.5	155.5	177.8	38.4	-33.6	0	0	0	115.1
892	P	49.2	Very low	38.6	Very low	116 Å²	116	125.8 Å²	125.8	75%	0.753	77%	0.769	S	S	*	*			trans	-122.6	157.4	176.2	41.9	-31.7	0	0	0	117
893	S	40.6	Very low	38.5	Very low	109 Å²	109	126.7 Å²	126.7	76%	0.762	77%	0.768	S	S	*	*			trans	42.3	130.5	143.4	65.3	0	0	0	0	125
894	D	32.4	Very low	37.3	Very low	149 Å²	149	129.1 Å²	129.1	80%	0.797	77%	0.77	S	S	*	*			trans	-158.8	129.3	131.8	-114.1	-22.6	0	0	0	108.2
895	S	35.4	Very low	36.1	Very low	93 Å²	93	129.6 Å²	129.6	65%	0.65	77%	0.77	S	S	*	*				79.1	136.7	82.2	-64.1	0	0	0	0	114
896	T	32	Very low	35	Very low	124 Å²	124	128.9 Å²	128.9	76%	0.761	77%	0.768	S	S	*	*			cis	-167.8	171	9.3	7.4	0	0	0	0	112.4
897	L	31.1	Very low	34.8	Very low	161 Å²	161	126.5 Å²	126.5	84%	0.843	76%	0.759	S	S	*	*			trans	73	159.6	165.7	-60.8	163.4	0	0	0	119
898	S	29.6	Very low	35.1	Very low	86 Å²	86	130.1 Å²	130.1	60%	0.601	76%	0.761	S	S	*	*				-176.1	150.8	-57	56.3	0	0	0	0	113.2
899	L	31.1	Very low	35.1	Very low	152 Å²	152	130.1 Å²	130.1	80%	0.796	76%	0.757	S	S	*	*			trans	82	128.6	153.4	-72	163.6	0	0	0	122.8
900	K	30	Very low	34.9	Very low	169 Å²	169	128.3 Å²	128.3	74%	0.735	76%	0.755	S	S	*	*			trans	84	114.6	140.8	-75.2	-169.2	165.4	-169.8	0	123.9
901	D	30.9	Very low	34.4	Very low	134 Å²	134	129.1 Å²	129.1	72%	0.717	76%	0.758	S	S	*	*				54.8	147.6	115.6	-54.5	-26.2	0	0	0	123.8
902	S	30.8	Very low	34.4	Very low	104 Å²	104	129 Å²	129	73%	0.727	76%	0.757	S	S	*	*			trans	91.3	95.8	150.3	-65.2	0	0	0	0	121.2
903	L	31.9	Very low	33.6	Very low	161 Å²	161	128.4 Å²	128.4	84%	0.843	76%	0.756	S	S	*	*				68.1	157.9	117.7	-74.7	160.9	0	0	0	122.1
904	E	32.2	Very low	33.4	Very low	164 Å²	164	130.8 Å²	130.8	77%	0.766	76%	0.76	S	S	*	*			trans	-80.8	164	-174.8	-50.7	157.1	125.8	0	0	113
905	T	32.3	Very low	33.5	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	77%	0.765	S	S	*	*				173.6	150.7	110.5	29.7	0	0	0	0	116.1
906	S	32.3	Very low	33.3	Very low	91 Å²	91	131.6 Å²	131.6	64%	0.636	77%	0.767	S	S	*	*			trans	60.4	110.7	144.8	65.4	0	0	0	0	124.1
907	D	34.3	Very low	33.4	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	77%	0.772	S	S	*	*				60.3	134.3	108	-46	-23.3	0	0	0	124.8
908	D	35.8	Very low	34.4	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	77%	0.765	S	S	*	*			trans	63.5	157.1	137.5	-77.9	-9.2	0	0	0	121.8
909	T	32.7	Very low	35.8	Very low	125 Å²	125	132 Å²	132	77%	0.767	77%	0.769	S	S	*	*			cis	-153.1	167.1	9.3	-9.2	0	0	0	0	114.2
910	A	30.5	Very low	36	Very low	96 Å²	96	132.5 Å²	132.5	79%	0.793	77%	0.772	S	S	*	*			trans	83.4	134.7	139.9	0	0	0	0	0	124
911	T	36.9	Very low	36.5	Very low	133 Å²	133	130.3 Å²	130.3	82%	0.816	77%	0.773	S	S	*	*			trans	-108.5	167.7	167.8	55.4	0	0	0	0	111.2
912	P	50.6	Low	37.7	Very low	121 Å²	121	129.4 Å²	129.4	79%	0.786	77%	0.774	S	S	*	*				-141.6	-153	86.3	37.7	-17.9	0	0	0	110.7
913	S	33	Very low	39.1	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	78%	0.778	S	S	*	*			cis	-173.4	158.1	1.3	24.9	0	0	0	0	106.4
914	D	36.4	Very low	39.5	Very low	158 Å²	158	131.7 Å²	131.7	85%	0.845	80%	0.801	S	S	*	*			cis	-167.3	-163.1	-17.7	-152.5	-50.6	0	0	0	107
915	E	34.8	Very low	39.8	Very low	192 Å²	192	130.1 Å²	130.1	90%	0.897	80%	0.803	S	S	*	*			trans	70	139.5	179	-55.2	-167	158	0	0	116.9
916	G	30.6	Very low	40.2	Very low	67 Å²	67	130.2 Å²	130.2	69%	0.691	80%	0.803	S	S	*	*			cis	168.2	95.4	-7.5	0	0	0	0	0	114.9
917	L	34.6	Very low	40.7	Very low	167 Å²	167	132.4 Å²	132.4	87%	0.874	81%	0.813	S	S	*	*				47.8	162.6	118.4	-67.7	174.9	0	0	0	122.7
918	P	50.4	Low	41.1	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	82%	0.815	S	S	*	*				-130.6	-124.5	-50.1	32.6	-10.1	0	0	0	114
919	P	60.6	Low	41.4	Very low	106 Å²	106	130.6 Å²	130.6	69%	0.688	82%	0.816	S	S	*	*				-125	-172.6	-97.5	37.5	-17.8	0	0	0	115.3
920	L	35.2	Very low	42	Very low	162 Å²	162	131 Å²	131	85%	0.848	82%	0.82	S	S	*	*				-171.9	169.2	122.7	-102.3	167.2	0	0	0	113.9
921	T	39	Very low	42.8	Very low	122 Å²	122	133.5 Å²	133.5	75%	0.748	82%	0.822	S	S	*	*			trans	-121	166	-159.1	32.6	0	0	0	0	115.4
922	P	56.4	Low	43.2	Very low	115 Å²	115	133.5 Å²	133.5	75%	0.747	82%	0.822	S	S	*	*			trans	-76.2	-170.7	179	37.7	-41.7	0	0	0	112.1
923	P	60.6	Low	42.6	Very low	124 Å²	124	134.6 Å²	134.6	81%	0.805	83%	0.825	S	S	*	*			cis	-147.3	176.8	16.7	45.3	-25.6	0	0	0	119.6
924	S	39.9	Very low	43.5	Very low	190 Å²	190	137.4 Å²	137.4	100%	1.329	83%	0.834	S	S	*	*			trans	-156.4	0	141.9	69.3	0	0	0	0	111.4

Retrieved 924 of 924 residues in 1191 ms (Link to these results)

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