A0A087Y1A6_POEFO Loading...

pre-mRNA 3' end processing protein WDR33

Essential for both cleavage and polyadenylation of pre-mRNA 3' ends.

AlphaFold DB , UniProt , Accession A0A087Y1A6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 739 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	33.9	Very low	235 Å²	235	143.4 Å²	143.4	100%	1.158	81%	0.813	S	S	*	*				0	112.4	0	-61.4	172.7	-179	0	0	104.8
2	A	36.4	Very low	33.5	Very low	91 Å²	91	146 Å²	146	75%	0.752	81%	0.809	S	S	*	*				58.6	125.7	75.4	0	0	0	0	0	109.8
3	T	37.5	Very low	33.4	Very low	145 Å²	145	148.2 Å²	148.2	89%	0.89	81%	0.809	S	S	*	*			cis	-150	-178.1	40.6	44.6	0	0	0	0	115.1
4	D	35.9	Very low	32.9	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	82%	0.815	S	S	*	*			trans	-85.9	-174.9	-170.8	-162.5	-5.6	0	0	0	114.9
5	V	36.2	Very low	33	Very low	134 Å²	134	146.3 Å²	146.3	81%	0.812	80%	0.799	S	S	*	*			trans	93.8	117.7	156.2	-163.2	0	0	0	0	119.9
6	G	30.1	Very low	33.2	Very low	72 Å²	72	152.4 Å²	152.4	74%	0.742	81%	0.806	S	S	*	*				133.7	109.3	126.6	0	0	0	0	0	119.5
7	S	28.8	Very low	33	Very low	123 Å²	123	154.1 Å²	154.1	86%	0.86	81%	0.805	S	S	*	*			trans	-153	130.3	154.9	59.7	0	0	0	0	112.5
8	P	37.5	Very low	33.4	Very low	120 Å²	120	154.2 Å²	154.2	78%	0.779	80%	0.801	S	S	*	*			trans	-119.8	143.4	178.2	37.8	-28.1	0	0	0	116.5
9	Q	32.4	Very low	33.4	Very low	152 Å²	152	154.9 Å²	154.9	71%	0.71	80%	0.8	S	S	*	*			trans	59.3	115.1	140.7	-64.3	-77.9	-7.6	0	0	122.8
10	R	34.6	Very low	33.6	Very low	197 Å²	197	156.1 Å²	156.1	74%	0.743	80%	0.801	S	S	*	*				39.2	140.9	128.6	-59.9	-175.4	-171.4	-118.1	0.2	119.9
11	F	31.6	Very low	33.4	Very low	158 Å²	158	152.2 Å²	152.2	69%	0.693	79%	0.793	S	S	*	*				-154.4	-172.6	55.9	-94.1	-87.6	0	0	0	110.8
12	F	29.2	Very low	33.4	Very low	175 Å²	175	146.7 Å²	146.7	77%	0.768	77%	0.774	S	S	*	*			cis	-139.8	-117.2	10.1	-138.6	-54.7	0	0	0	113.4
13	H	32.1	Very low	33.3	Very low	175 Å²	175	153.7 Å²	153.7	81%	0.81	78%	0.782	S	S	*	*			trans	-160	148.9	-176.8	-108.5	43.3	0	0	0	112.2
14	M	26.5	Very low	33.1	Very low	180 Å²	180	153.8 Å²	153.8	89%	0.887	77%	0.772	S	S	*	*			trans	161.6	157	134.7	-90.9	-180	81	0	0	110.7
15	P	34.9	Very low	32.9	Very low	88 Å²	88	152.1 Å²	152.1	57%	0.571	77%	0.767	S	S	*	*			cis	-123.9	157.7	-44.7	36.4	-23	0	0	0	112.1	F17	P15-F17 HydrophobicContact CG-CD2 4.41Å; P15-F17 HydrophobicContact CG-CE2 4.39Å; P15-F17 PolarHBondContact O-N 2.97Å
16	R	35.8	Very low	32.7	Very low	244 Å²	244	153.5 Å²	153.5	92%	0.921	76%	0.762	S	S	*	*			trans	-74.6	108.6	169.9	-88.5	-176.3	172.1	175.6	-1.7	110.5
17	F	30.4	Very low	33.1	Very low	180 Å²	180	160.1 Å²	160.1	79%	0.789	77%	0.766	S	S	*	*			trans	-87.2	108.1	155.9	-91.5	-82.4	0	0	0	110	P15 H19	P15-F17 HydrophobicContact CG-CD2 4.41Å; P15-F17 HydrophobicContact CG-CE2 4.39Å; P15-F17 PolarHBondContact O-N 2.97Å; F17-H19 PolarHBondContact O-N 3.46Å
18	Q	39.7	Very low	33.4	Very low	157 Å²	157	162.6 Å²	162.6	73%	0.734	76%	0.762	S	S	*	*			trans	-85.4	100.8	173.9	-154.6	168.4	-0	0	0	107.8
19	H	32.9	Very low	33.3	Very low	168 Å²	168	167.6 Å²	167.6	78%	0.778	77%	0.765	S	S	*	*			trans	-109	94.5	165.8	-92	21.2	0	0	0	109.2	F17 A21	F17-H19 PolarHBondContact O-N 3.46Å; H19-A21 VanDerWaalsContact C-N 3.26Å; H19-A21 PolarHBondContact O-N 2.81Å
20	Q	38.4	Very low	33.8	Very low	177 Å²	177	163.4 Å²	163.4	83%	0.827	75%	0.751	S	S	*	*			trans	-69.8	86.8	161.4	-75.9	-179.7	-28.3	0	0	108.6
21	A	29	Very low	34.6	Very low	76 Å²	76	159.2 Å²	159.2	63%	0.628	74%	0.743	S	S	*	*			trans	-94.6	118.8	162.9	0	0	0	0	0	108.2	H19 R23	H19-A21 VanDerWaalsContact C-N 3.26Å; H19-A21 PolarHBondContact O-N 2.81Å; A21-R23 PolarHBondContact O-N 2.99Å
22	P	31.8	Very low	35.4	Very low	118 Å²	118	158.5 Å²	158.5	77%	0.766	74%	0.74	S	S	*	*			trans	-71.1	102.7	176.5	28.9	-32.4	0	0	0	109	Q24	P22-Q24 PolarHBondContact O-N 3.24Å
23	R	34.5	Very low	36.4	Very low	239 Å²	239	153.1 Å²	153.1	90%	0.902	73%	0.728	S	S	*	*			trans	-68.5	82.4	164	-78.6	-169	176.9	-128.7	0.8	108.8	A21 V25	A21-R23 PolarHBondContact O-N 2.99Å; R23-V25 VanDerWaalsContact C-N 3.27Å; R23-V25 PolarHBondContact O-N 3.39Å
24	Q	32.6	Very low	37.2	Very low	147 Å²	147	150.4 Å²	150.4	69%	0.687	72%	0.715	S	S	*	*			trans	-64.9	93.7	161.4	-76	-146.2	12	0	0	108.3	P22 F26	P22-Q24 PolarHBondContact O-N 3.24Å; Q24-F26 HydrophobicContact CB-CD2 4.22Å; Q24-F26 HydrophobicContact CB-CE2 4.35Å; Q24-F26 PolarHBondContact O-N 3.39Å; Q24-F26 VanDerWaalsContact OE1-CE2 3.25Å
25	V	32.7	Very low	38.4	Very low	115 Å²	115	145.9 Å²	145.9	70%	0.697	69%	0.692	S	S	*	*			trans	-71.6	99.6	167.9	-164.5	0	0	0	0	106.4	R23 Y27	R23-V25 VanDerWaalsContact C-N 3.27Å; R23-V25 PolarHBondContact O-N 3.39Å; V25-Y27 HydrophobicContact CG1-CD2 4.01Å; V25-Y27 PolarHBondContact O-N 3.15Å
26	F	31.9	Very low	39.1	Very low	162 Å²	162	145.9 Å²	145.9	71%	0.711	68%	0.684	S	S	*	*			trans	-72.1	52.1	179.4	-105.5	-82.1	0	0	0	112.8	Q24 K28	Q24-F26 HydrophobicContact CB-CD2 4.22Å; Q24-F26 HydrophobicContact CB-CE2 4.35Å; Q24-F26 PolarHBondContact O-N 3.39Å; Q24-F26 VanDerWaalsContact OE1-CE2 3.25Å; F26-K28 VanDerWaalsContact C-N 3.3Å; F26-K28 PolarHBondContact O-N 3.4Å
27	Y	37.6	Very low	39.6	Very low	211 Å²	211	136.6 Å²	136.6	83%	0.827	66%	0.66	S	S	*	*			trans	-76.9	89.7	150.7	-91.1	-82.6	0	0	0	107.6	V25 R29	V25-Y27 HydrophobicContact CG1-CD2 4.01Å; V25-Y27 PolarHBondContact O-N 3.15Å; Y27-R29 PolarHBondContact O-N 3.03Å
28	K	34.6	Very low	40.4	Very low	176 Å²	176	134.7 Å²	134.7	77%	0.765	66%	0.655	S	S	*	*			trans	-54.9	112.1	153.5	-89.6	-174	173.3	-179.1	0	106	F26	F26-K28 VanDerWaalsContact C-N 3.3Å; F26-K28 PolarHBondContact O-N 3.4Å
29	R	36.5	Very low	40.9	Very low	225 Å²	225	134.8 Å²	134.8	85%	0.849	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-50.3	132.2	161.5	-81.9	-177.6	170.9	177.5	-2.9	106.3	Y27 D31	Y27-R29 PolarHBondContact O-N 3.03Å; R29-D31 PolarHBondContact O-N 3.44Å
30	P	42.7	Very low	41.4	Very low	63 Å²	63	133.6 Å²	133.6	41%	0.409	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-53.3	129.5	169.2	-20.7	31.1	0	0	0	107.1	Q34 Q35	P30-Q34 HydrophobicContact CB-CB 4.19Å; P30-Q35 HydrophobicContact CB-CG 4.01Å; P30-Q35 PolarHBondContact O-NE2 3.02Å
31	D	50.5	Low	42.1	Very low	109 Å²	109	129.2 Å²	129.2	58%	0.583	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-54.3	153.2	-177	-157.2	-21.2	0	0	0	109.9	R29 A33 Q34 Q35	R29-D31 PolarHBondContact O-N 3.44Å; D31-A33 PolarHBondContact O-N 3.37Å; D31-A33 VanDerWaalsContact O-N 3.16Å; D31-Q34 HydrophobicContact CB-CB 4.32Å; D31-Q34 CarbonylContact O-C 3.56Å; D31-Q34 WeakPolarHBondContact O-CA 3.44Å; D31-Q34 WeakPolarHBondContact O-CB 3.47Å; D31-Q34 PolarHBondContact O-N 2.81Å; D31-Q35 PolarHBondContact O-N 3.48Å
32	F	49.5	Very low	43.8	Very low	143 Å²	143	131 Å²	131	63%	0.627	64%	0.635	S	S	*	*	H	α-helix	trans	-57.6	-35.2	179.6	-170.2	-106.6	0	0	0	110.6	Q35 Q36	F32-Q35 PolarHBondContact O-N 3.01Å; F32-Q36 HydrophobicContact CE1-CG 4.37Å; F32-Q36 VanDerWaalsContact CE1-NE2 3.28Å; F32-Q36 WeakPolarHBondContact O-CB 3.34Å; F32-Q36 WeakPolarHBondContact O-CG 3.46Å; F32-Q36 PolarHBondContact O-N 2.71Å
33	A	49.1	Very low	45.5	Very low	62 Å²	62	130.7 Å²	130.7	51%	0.512	62%	0.622	S	S	.	*	H	α-helix	trans	-64.9	-35	169.9	0	0	0	0	0	114	D31 A37	D31-A33 PolarHBondContact O-N 3.37Å; D31-A33 VanDerWaalsContact O-N 3.16Å; A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 3.11Å
34	Q	49.4	Very low	47.4	Very low	118 Å²	118	123.3 Å²	123.3	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-72.6	-36.1	173.2	-91.7	-176.8	-12.9	0	0	112.4	P30 D31 A37 M38	P30-Q34 HydrophobicContact CB-CB 4.19Å; D31-Q34 HydrophobicContact CB-CB 4.32Å; D31-Q34 CarbonylContact O-C 3.56Å; D31-Q34 WeakPolarHBondContact O-CA 3.44Å; D31-Q34 WeakPolarHBondContact O-CB 3.47Å; D31-Q34 PolarHBondContact O-N 2.81Å; Q34-A37 PolarHBondContact O-N 3.13Å; Q34-M38 WeakPolarHBondContact O-CB 3.45Å; Q34-M38 WeakPolarHBondContact O-CG 3.39Å; Q34-M38 PolarHBondContact O-N 3.46Å
35	Q	52.4	Low	49.5	Very low	86 Å²	86	119.8 Å²	119.8	40%	0.402	60%	0.603	S	S	.	*	H	α-helix	trans	-66.6	-43.5	173.9	-64.9	-171.8	-1	0	0	110.9	P30 D31 F32 M38 Q39	P30-Q35 HydrophobicContact CB-CG 4.01Å; P30-Q35 PolarHBondContact O-NE2 3.02Å; D31-Q35 PolarHBondContact O-N 3.48Å; F32-Q35 PolarHBondContact O-N 3.01Å; Q35-M38 PolarHBondContact O-N 3.18Å; Q35-Q39 WeakPolarHBondContact O-CG 3.33Å; Q35-Q39 PolarHBondContact O-N 3.49Å
36	Q	49.6	Very low	51.7	Low	87 Å²	87	122.3 Å²	122.3	41%	0.407	61%	0.605	S	S	.	*	H	α-helix	trans	-62.7	-42.5	170.9	-74.6	-173.9	-19.8	0	0	112.1	F32 M38 Q39 Q40	F32-Q36 HydrophobicContact CE1-CG 4.37Å; F32-Q36 VanDerWaalsContact CE1-NE2 3.28Å; F32-Q36 WeakPolarHBondContact O-CB 3.34Å; F32-Q36 WeakPolarHBondContact O-CG 3.46Å; F32-Q36 PolarHBondContact O-N 2.71Å; Q36-M38 VanDerWaalsContact C-N 3.34Å; Q36-M38 PolarHBondContact O-N 3.27Å; Q36-Q39 CarbonylContact O-C 3.51Å; Q36-Q39 PolarHBondContact O-N 3.23Å; Q36-Q39 VanDerWaalsContact O-N 3.15Å; Q36-Q40 WeakPolarHBondContact O-CB 3.43Å; Q36-Q40 VanDerWaalsContact O-CG 3.28Å; Q36-Q40 WeakPolarHBondContact O-CG 3.43Å; Q36-Q40 PolarHBondContact O-N 2.99Å
37	A	45.8	Very low	54.1	Low	49 Å²	49	124.2 Å²	124.2	41%	0.405	61%	0.608	S	S	.	*	H	α-helix	trans	-64.9	-34.3	176.9	0	0	0	0	0	113.1	A33 Q34 Q40 L41	A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 3.11Å; Q34-A37 PolarHBondContact O-N 3.13Å; A37-Q40 PolarHBondContact O-N 2.69Å; A37-L41 PolarHBondContact O-N 3.33Å
38	M	46.5	Very low	55.9	Low	141 Å²	141	122.9 Å²	122.9	70%	0.695	61%	0.611	S	S	*	*	H	α-helix	trans	-71.5	-32.5	172	-72.9	-170.8	99.3	0	0	112.6	Q34 Q35 Q36	Q34-M38 WeakPolarHBondContact O-CB 3.45Å; Q34-M38 WeakPolarHBondContact O-CG 3.39Å; Q34-M38 PolarHBondContact O-N 3.46Å; Q35-M38 PolarHBondContact O-N 3.18Å; Q36-M38 VanDerWaalsContact C-N 3.34Å; Q36-M38 PolarHBondContact O-N 3.27Å
39	Q	49.9	Very low	58.2	Low	159 Å²	159	123.9 Å²	123.9	74%	0.743	61%	0.61	S	S	*	*	H	α-helix	trans	-71.6	-31.7	170.9	-72.1	173.7	-1.7	0	0	112.4	Q35 Q36 L41	Q35-Q39 WeakPolarHBondContact O-CG 3.33Å; Q35-Q39 PolarHBondContact O-N 3.49Å; Q36-Q39 CarbonylContact O-C 3.51Å; Q36-Q39 PolarHBondContact O-N 3.23Å; Q36-Q39 VanDerWaalsContact O-N 3.15Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 2.95Å
40	Q	44.9	Very low	60.7	Low	142 Å²	142	122.7 Å²	122.7	66%	0.664	61%	0.611	S	S	*	*	S	Bend	trans	-78.1	-8.7	176.3	-74.4	174.8	-0	0	0	114.1	Q36 A37 T42	Q36-Q40 WeakPolarHBondContact O-CB 3.43Å; Q36-Q40 VanDerWaalsContact O-CG 3.28Å; Q36-Q40 WeakPolarHBondContact O-CG 3.43Å; Q36-Q40 PolarHBondContact O-N 2.99Å; A37-Q40 PolarHBondContact O-N 2.69Å; Q40-T42 PolarHBondContact O-N 3.49Å
41	L	53	Low	62.7	Low	85 Å²	85	124.8 Å²	124.8	45%	0.445	63%	0.634	S	S	.	*			trans	-72	80.5	169.9	-83.6	167.3	0	0	0	110.2	A37 Q39 F43	A37-L41 PolarHBondContact O-N 3.33Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 2.95Å; L41-F43 HydrophobicContact CB-CE2 3.93Å; L41-F43 HydrophobicContact CB-CZ 4.34Å; L41-F43 WeakPolarHBondContact O-CD2 3.26Å; L41-F43 WeakPolarHBondContact O-CE2 3.32Å; L41-F43 PolarHBondContact O-N 2.97Å; L41-F43 VanDerWaalsContact O-N 3.14Å
42	T	64	Low	64.6	Low	113 Å²	113	124.4 Å²	124.4	69%	0.693	64%	0.635	S	S	*	*			trans	-60.8	112.9	170.4	47.6	0	0	0	0	109.8	Q40 D44	Q40-T42 PolarHBondContact O-N 3.49Å; T42-D44 PolarHBondContact O-N 3.31Å
43	F	67.1	Low	66.3	Low	113 Å²	113	125.5 Å²	125.5	50%	0.496	65%	0.648	S	S	.	*			trans	-92	70.5	179.2	-75.1	-83.4	0	0	0	111.1	L41 G45 K117	L41-F43 HydrophobicContact CB-CE2 3.93Å; L41-F43 HydrophobicContact CB-CZ 4.34Å; L41-F43 WeakPolarHBondContact O-CD2 3.26Å; L41-F43 WeakPolarHBondContact O-CE2 3.32Å; L41-F43 PolarHBondContact O-N 2.97Å; L41-F43 VanDerWaalsContact O-N 3.14Å; F43-G45 VanDerWaalsContact C-N 3.34Å; F43-K117 HydrophobicContact CB-CD 4.48Å; F43-K117 VanDerWaalsContact CB-NZ 3.29Å; F43-K117 HydrophobicContact CD1-CD 4.32Å; F43-K117 VanDerWaalsContact CD1-CE 3.47Å; F43-K117 HydrophobicContact CD2-CD 3.31Å; F43-K117 HydrophobicContact CE1-CD 4.39Å; F43-K117 HydrophobicContact CE2-CD 3.41Å; F43-K117 VanDerWaalsContact CE2-CD 3.41Å; F43-K117 HydrophobicContact CG-CD 3.8Å; F43-K117 VanDerWaalsContact CG-NZ 3.32Å; F43-K117 HydrophobicContact CZ-CD 3.95Å
44	D	74.6	Confident	68	Low	84 Å²	84	128.7 Å²	128.7	45%	0.449	65%	0.646	S	S	.	*			trans	-87.9	1.5	178.3	67	1.1	0	0	0	114.3	T42 K46	T42-D44 PolarHBondContact O-N 3.31Å; D44-K46 VanDerWaalsContact C-N 3.3Å; D44-K46 PolarHBondContact O-N 3.04Å; D44-K46 WeakPolarHBondContact OD1-CB 3.44Å; D44-K46 WeakPolarHBondContact OD1-CG 3.45Å; D44-K46 PolarHBondContact OD1-N 3.06Å; D44-K46 WeakPolarHBondContact OD2-CD 3.4Å; D44-K46 WeakPolarHBondContact OD2-CE 3.43Å; D44-K46 WeakPolarHBondContact OD2-CG 3.44Å; D44-K46 IonicContact OD2-NZ 2.79Å; D44-K46 PolarHBondContact OD2-NZ 3.47Å
45	G	76.4	Confident	69.9	Low	72 Å²	72	129 Å²	129	74%	0.742	65%	0.646	S	S	*	*	S	Bend	trans	81.3	-6.2	-178.7	0	0	0	0	0	115.5	F43 R47	F43-G45 VanDerWaalsContact C-N 3.34Å; G45-R47 VanDerWaalsContact C-N 3.33Å; G45-R47 PolarHBondContact O-N 3.38Å
46	K	80.4	Confident	71.9	Confident	169 Å²	169	128.1 Å²	128.1	74%	0.735	65%	0.646	S	S	*	*			trans	-71.1	-24.4	-175.6	-62.4	-177.9	-164.2	127.6	0	113.8	D44 M48	D44-K46 VanDerWaalsContact C-N 3.3Å; D44-K46 PolarHBondContact O-N 3.04Å; D44-K46 WeakPolarHBondContact OD1-CB 3.44Å; D44-K46 WeakPolarHBondContact OD1-CG 3.45Å; D44-K46 PolarHBondContact OD1-N 3.06Å; D44-K46 WeakPolarHBondContact OD2-CD 3.4Å; D44-K46 WeakPolarHBondContact OD2-CE 3.43Å; D44-K46 WeakPolarHBondContact OD2-CG 3.44Å; D44-K46 IonicContact OD2-NZ 2.79Å; D44-K46 PolarHBondContact OD2-NZ 3.47Å; K46-M48 PolarHBondContact O-N 2.62Å
47	R	81	Confident	74.1	Confident	202 Å²	202	124.8 Å²	124.8	76%	0.762	63%	0.631	S	S	*	*	S	Bend	trans	-73.4	108	175.2	-175.8	176	178.9	-179	1.5	110.6	G45	G45-R47 VanDerWaalsContact C-N 3.33Å; G45-R47 PolarHBondContact O-N 3.38Å
48	M	76.8	Confident	76.5	Confident	182 Å²	182	125.7 Å²	125.7	90%	0.897	63%	0.629	S	S	*	*			trans	-52.1	143.7	173.4	-67.1	-160.4	-66.2	0	0	112.2	K46	K46-M48 PolarHBondContact O-N 2.62Å
49	R	82.8	Confident	78.8	Confident	198 Å²	198	121.3 Å²	121.3	75%	0.747	61%	0.605	S	S	*	*			trans	-127.1	153.9	175.7	-63.3	-174.1	179.3	-144.3	-0.9	109.4
50	K	88.9	Confident	81.1	Confident	200 Å²	200	117.1 Å²	117.1	87%	0.87	59%	0.588	S	S	*	*			trans	-59.3	145.2	173	-64.8	-177	178.5	-178.5	0	110.2
51	A	84.4	Confident	83.6	Confident	107 Å²	107	113.9 Å²	113.9	88%	0.884	58%	0.579	S	S	*	*			trans	-61	139.6	167.6	0	0	0	0	0	109.6
52	V	89.5	Confident	85.6	Confident	101 Å²	101	110.3 Å²	110.3	61%	0.612	56%	0.561	S	S	*	*			trans	-148.4	129.9	-177.2	64.1	0	0	0	0	109.8
53	N	85.4	Confident	87.2	Confident	166 Å²	166	106.8 Å²	106.8	89%	0.888	54%	0.539	S	S	*	.			trans	-72.5	139.2	172.5	-70.2	6.1	0	0	0	108.9
54	R	84.8	Confident	88.7	Confident	128 Å²	128	105.9 Å²	105.9	48%	0.483	54%	0.539	S	S	.	.			trans	-114.8	144.1	-172.9	-65	-179.5	178.8	171.8	1.6	110.9	T56 N152	R54-T56 PolarHBondContact O-N 3.02Å; R54-T56 VanDerWaalsContact O-N 3.15Å; R54-T56 PolarHBondContact O-OG1 3.37Å; R54-N152 VanDerWaalsContact NH1-CG 3.31Å
55	K	89.5	Confident	89.7	Confident	126 Å²	126	104.8 Å²	104.8	55%	0.548	53%	0.528	S	S	.	.			trans	-56.3	119.9	166.5	-68.7	-173.8	174.1	-178.5	0	108.2	D431	K55-D431 VanDerWaalsContact CE-OD2 3.26Å; K55-D431 WeakPolarHBondContact CE-OD2 3.3Å; K55-D431 IonicContact NZ-OD2 3.95Å; K55-D431 PolarHBondContact NZ-OD2 3.4Å
56	T	94.1	Very high	90.6	Very high	66 Å²	66	103.7 Å²	103.7	41%	0.405	50%	0.502	S	S	.	.			trans	-130.1	131.3	-170.4	-54.9	0	0	0	0	108	R54 D58 L149 T150	R54-T56 PolarHBondContact O-N 3.02Å; R54-T56 VanDerWaalsContact O-N 3.15Å; R54-T56 PolarHBondContact O-OG1 3.37Å; T56-D58 HydrophobicContact CG2-CB 4.49Å; T56-L149 WeakPolarHBondContact CA-O 3.45Å; T56-L149 HydrophobicContact CG2-CB 4.46Å; T56-T150 HydrophobicContact CG2-CG2 3.79Å
57	I	95.9	Very high	91.4	Very high	17 Å²	17	100.1 Å²	100.1	9%	0.087	49%	0.491	C	S	.	.			trans	-110.7	91.6	171.1	-58.2	-60.9	0	0	0	106.6	V111 L149 F151 I389 T403	I57-V111 HydrophobicContact CD1-CG1 4.28Å; I57-V111 HydrophobicContact CD1-CG2 4.25Å; I57-V111 HydrophobicContact CG1-CB 4.48Å; I57-V111 HydrophobicContact CG1-CG1 3.67Å; I57-V111 HydrophobicContact CG1-CG2 3.9Å; I57-L149 PolarHBondContact N-O 2.83Å; I57-F151 HydrophobicContact CB-CE2 4.04Å; I57-F151 HydrophobicContact CB-CZ 4.04Å; I57-F151 HydrophobicContact CG1-CE2 3.89Å; I57-F151 HydrophobicContact CG1-CZ 4.16Å; I57-I389 HydrophobicContact CB-CD1 4.17Å; I57-I389 HydrophobicContact CG2-CD1 3.87Å; I57-I389 HydrophobicContact CG2-CG1 4.05Å; I57-T403 HydrophobicContact CD1-CG2 3.98Å; I57-T403 HydrophobicContact CG1-CG2 4.44Å
58	D	95.9	Very high	92.1	Very high	68 Å²	68	95 Å²	95	36%	0.364	48%	0.475	S	S	.	.			trans	-87.1	126.4	174.8	-169.1	3	0	0	0	110.3	T56 N60	T56-D58 HydrophobicContact CG2-CB 4.49Å; D58-N60 VanDerWaalsContact OD1-CB 3.31Å; D58-N60 WeakPolarHBondContact OD1-CB 3.33Å; D58-N60 PolarHBondContact OD1-N 3.46Å; D58-N60 PolarHBondContact OD1-ND2 2.91Å
59	Y	96.3	Very high	93	Very high	50 Å²	50	86.6 Å²	86.6	20%	0.196	43%	0.434	C	S	.	.			trans	-87	-18.3	173.4	57.2	-102.7	0	0	0	112.8	S62 V63 L149 H384 L386 H388	Y59-S62 PolarHBondContact O-N 3.15Å; Y59-S62 PolarHBondContact O-OG 2.91Å; Y59-V63 HydrophobicContact CD2-CG2 3.99Å; Y59-V63 PolarHBondContact O-N 3.08Å; Y59-L149 HydrophobicContact CD1-CD2 3.78Å; Y59-L149 HydrophobicContact CE1-CD2 3.57Å; Y59-H384 AromaticContact CE1-NE2 3.88Å; Y59-L386 HydrophobicContact CD1-CD1 3.92Å; Y59-L386 HydrophobicContact CD2-CD1 3.43Å; Y59-L386 VanDerWaalsContact CD2-CD1 3.43Å; Y59-L386 HydrophobicContact CE1-CD1 4.24Å; Y59-L386 HydrophobicContact CE2-CD1 3.83Å; Y59-L386 HydrophobicContact CG-CD1 3.49Å; Y59-L386 VanDerWaalsContact CG-CD1 3.49Å; Y59-H388 AromaticContact CD1-CE1 3.51Å; Y59-H388 AromaticContact CD1-NE2 3.77Å; Y59-H388 AromaticContact CG-CE1 3.93Å
60	N	97.3	Very high	93.6	Very high	71 Å²	71	85.1 Å²	85.1	38%	0.38	43%	0.429	S	S	.	.	H	α-helix	trans	-55.4	-46.5	-173.5	-68.4	-63.5	0	0	0	113.1	D58 S62 V63 I64	D58-N60 VanDerWaalsContact OD1-CB 3.31Å; D58-N60 WeakPolarHBondContact OD1-CB 3.33Å; D58-N60 PolarHBondContact OD1-N 3.46Å; D58-N60 PolarHBondContact OD1-ND2 2.91Å; N60-S62 VanDerWaalsContact C-N 3.26Å; N60-S62 PolarHBondContact O-N 3.37Å; N60-V63 PolarHBondContact O-N 3.46Å; N60-V63 VanDerWaalsContact O-N 3.15Å; N60-I64 VanDerWaalsContact O-CG1 3.27Å; N60-I64 WeakPolarHBondContact O-CG1 3.31Å; N60-I64 PolarHBondContact O-N 3.01Å
61	P	97.1	Very high	93.8	Very high	73 Å²	73	83.1 Å²	83.1	47%	0.474	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-39.1	176.1	-25.1	35.1	0	0	0	112.7	R65	P61-R65 WeakPolarHBondContact O-CB 3.35Å; P61-R65 PolarHBondContact O-N 3.33Å
62	S	96.1	Very high	94.3	Very high	10 Å²	10	83.5 Å²	83.5	7%	0.07	41%	0.405	C	S	.	.	H	α-helix	trans	-70.8	-35.9	178.9	71.8	0	0	0	0	113.1	Y59 N60 Y66 L92 P94	Y59-S62 PolarHBondContact O-N 3.15Å; Y59-S62 PolarHBondContact O-OG 2.91Å; N60-S62 VanDerWaalsContact C-N 3.26Å; N60-S62 PolarHBondContact O-N 3.37Å; S62-Y66 PolarHBondContact O-N 3.43Å; S62-L92 WeakPolarHBondContact CA-O 3.45Å; S62-L92 WeakPolarHBondContact CB-O 3.46Å; S62-P94 VanDerWaalsContact C-CD 3.45Å; S62-P94 WeakPolarHBondContact O-CD 3.45Å
63	V	97.3	Very high	94.6	Very high	39 Å²	39	80 Å²	80	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-69.7	-44	176	174.3	0	0	0	0	110.3	Y59 N60 R65 Y66 L67 P94 L386	Y59-V63 HydrophobicContact CD2-CG2 3.99Å; Y59-V63 PolarHBondContact O-N 3.08Å; N60-V63 PolarHBondContact O-N 3.46Å; N60-V63 VanDerWaalsContact O-N 3.15Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.29Å; V63-Y66 PolarHBondContact O-N 3.13Å; V63-L67 HydrophobicContact CG1-CD1 4.25Å; V63-L67 WeakPolarHBondContact O-CG 3.26Å; V63-L67 PolarHBondContact O-N 3.34Å; V63-P94 HydrophobicContact CG2-CG 4.33Å; V63-L386 HydrophobicContact CG2-CD1 4.36Å
64	I	97.9	Very high	94.8	Very high	95 Å²	95	81.8 Å²	81.8	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-57.2	-49.2	173.6	-66.8	162.8	0	0	0	109.8	N60 Y66 L67 E68	N60-I64 VanDerWaalsContact O-CG1 3.27Å; N60-I64 WeakPolarHBondContact O-CG1 3.31Å; N60-I64 PolarHBondContact O-N 3.01Å; I64-Y66 VanDerWaalsContact C-N 3.28Å; I64-Y66 PolarHBondContact O-N 3.38Å; I64-L67 WeakPolarHBondContact O-CB 3.12Å; I64-L67 PolarHBondContact O-N 3.41Å; I64-E68 PolarHBondContact O-N 2.89Å
65	R	96.1	Very high	95	Very high	60 Å²	60	78.2 Å²	78.2	23%	0.226	37%	0.367	C	S	.	.	H	α-helix	trans	-58	-39.3	177.5	-170.2	65.1	176.6	146.8	-4.2	112.9	P61 V63 E68 N69 N90 D91 V93	P61-R65 WeakPolarHBondContact O-CB 3.35Å; P61-R65 PolarHBondContact O-N 3.33Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.29Å; R65-E68 WeakPolarHBondContact CD-OE2 3.31Å; R65-E68 IonicContact CZ-OE2 2.68Å; R65-E68 IonicContact NH1-OE2 3.24Å; R65-E68 PolarHBondContact NH1-OE2 2.86Å; R65-N69 VanDerWaalsContact O-CB 3.25Å; R65-N69 WeakPolarHBondContact O-CB 3.26Å; R65-N69 PolarHBondContact O-N 3.3Å; R65-N69 PolarHBondContact O-ND2 3.16Å; R65-N90 WeakPolarHBondContact CD-O 3.43Å; R65-N90 VanDerWaalsContact CG-O 3.32Å; R65-N90 WeakPolarHBondContact CG-O 3.44Å; R65-D91 IonicContact CZ-OD1 3.64Å; R65-D91 IonicContact NE-OD1 2.99Å; R65-D91 PolarHBondContact NE-OD1 3.4Å; R65-D91 VanDerWaalsContact NE-OD1 3.11Å; R65-D91 IonicContact NH2-OD1 2.88Å; R65-D91 PolarHBondContact NH2-OD1 2.76Å; R65-V93 HydrophobicContact CB-CG1 4.48Å; R65-V93 HydrophobicContact CG-CG1 4.22Å
66	Y	95.8	Very high	94.7	Very high	50 Å²	50	77 Å²	77	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-38.9	174.6	169.3	-109.6	0	0	0	112.8	S62 V63 I64 N69 R70 P94 L96	S62-Y66 PolarHBondContact O-N 3.43Å; V63-Y66 PolarHBondContact O-N 3.13Å; I64-Y66 VanDerWaalsContact C-N 3.28Å; I64-Y66 PolarHBondContact O-N 3.38Å; Y66-N69 PolarHBondContact O-N 3.25Å; Y66-R70 VanDerWaalsContact O-CB 3.3Å; Y66-R70 WeakPolarHBondContact O-CB 3.43Å; Y66-R70 PolarHBondContact O-N 3.42Å; Y66-P94 HydrophobicContact CG-CG 4.34Å; Y66-L96 HydrophobicContact CE1-CD2 4.01Å; Y66-L96 HydrophobicContact CE1-CG 4.46Å
67	L	96.8	Very high	94.5	Very high	94 Å²	94	82.2 Å²	82.2	49%	0.492	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-41.3	176.5	-67.6	172.4	0	0	0	112	V63 I64 R70	V63-L67 HydrophobicContact CG1-CD1 4.25Å; V63-L67 WeakPolarHBondContact O-CG 3.26Å; V63-L67 PolarHBondContact O-N 3.34Å; I64-L67 WeakPolarHBondContact O-CB 3.12Å; I64-L67 PolarHBondContact O-N 3.41Å; L67-R70 PolarHBondContact O-N 3.27Å
68	E	95.9	Very high	94.3	Very high	93 Å²	93	84.8 Å²	84.8	44%	0.435	39%	0.389	S	S	.	.	H	α-helix	trans	-58.4	-48.4	170.4	-68.4	173.6	178.1	0	0	111.6	I64 R65 R70 L71	I64-E68 PolarHBondContact O-N 2.89Å; R65-E68 WeakPolarHBondContact CD-OE2 3.31Å; R65-E68 IonicContact CZ-OE2 2.68Å; R65-E68 IonicContact NH1-OE2 3.24Å; R65-E68 PolarHBondContact NH1-OE2 2.86Å; E68-R70 PolarHBondContact O-N 2.8Å; E68-L71 PolarHBondContact O-N 3.41Å
69	N	95.3	Very high	94.1	Very high	6 Å²	6	83.1 Å²	83.1	3%	0.032	38%	0.379	C	S	.	.	H	α-helix	trans	-63.6	-39.5	-178.7	-80.4	-13.3	0	0	0	112.4	R65 Y66 L71 W72 Q73	R65-N69 VanDerWaalsContact O-CB 3.25Å; R65-N69 WeakPolarHBondContact O-CB 3.26Å; R65-N69 PolarHBondContact O-N 3.3Å; R65-N69 PolarHBondContact O-ND2 3.16Å; Y66-N69 PolarHBondContact O-N 3.25Å; N69-L71 PolarHBondContact O-N 3.14Å; N69-L71 VanDerWaalsContact O-N 3.12Å; N69-W72 PolarHBondContact O-N 3.33Å; N69-W72 VanDerWaalsContact O-N 3.14Å; N69-W72 WeakPolarHBondContact OD1-CZ2 3.32Å; N69-Q73 HydrophobicContact CB-CG 4.35Å; N69-Q73 VanDerWaalsContact CG-NE2 3.3Å; N69-Q73 VanDerWaalsContact O-CB 3.31Å; N69-Q73 WeakPolarHBondContact O-CB 3.05Å; N69-Q73 WeakPolarHBondContact O-CG 3.14Å; N69-Q73 PolarHBondContact O-N 2.68Å
70	R	94.6	Very high	93.8	Very high	168 Å²	168	89.1 Å²	89.1	63%	0.634	40%	0.401	S	S	*	.	H	α-helix	trans	-61	-19.8	-179.8	-174.7	176.3	179.9	-167.8	0.9	114.2	Y66 L67 E68 W72	Y66-R70 VanDerWaalsContact O-CB 3.3Å; Y66-R70 WeakPolarHBondContact O-CB 3.43Å; Y66-R70 PolarHBondContact O-N 3.42Å; L67-R70 PolarHBondContact O-N 3.27Å; E68-R70 PolarHBondContact O-N 2.8Å; R70-W72 VanDerWaalsContact C-N 3.34Å
71	L	94.8	Very high	93.6	Very high	157 Å²	157	89.9 Å²	89.9	82%	0.822	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.2	177.2	-66.2	173.1	0	0	0	113.3	E68 N69	E68-L71 PolarHBondContact O-N 3.41Å; N69-L71 PolarHBondContact O-N 3.14Å; N69-L71 VanDerWaalsContact O-N 3.12Å
72	W	94.7	Very high	93.5	Very high	115 Å²	115	88.2 Å²	88.2	44%	0.436	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-20.4	-173.1	64.3	-92.6	0	0	0	114.3	N69 R70 D78 R80	N69-W72 PolarHBondContact O-N 3.33Å; N69-W72 VanDerWaalsContact O-N 3.14Å; N69-W72 WeakPolarHBondContact OD1-CZ2 3.32Å; R70-W72 VanDerWaalsContact C-N 3.34Å; W72-D78 HydrophobicContact CZ3-CB 4.39Å; W72-D78 WeakPolarHBondContact CZ3-O 3.37Å; W72-R80 HydrophobicContact CH2-CG 4.06Å
73	Q	94.1	Very high	93.4	Very high	27 Å²	27	94 Å²	94	13%	0.126	43%	0.43	C	S	.	.			trans	-80.8	118	170.2	-65.2	177.6	3.5	0	0	109.2	N69 D78	N69-Q73 HydrophobicContact CB-CG 4.35Å; N69-Q73 VanDerWaalsContact CG-NE2 3.3Å; N69-Q73 VanDerWaalsContact O-CB 3.31Å; N69-Q73 WeakPolarHBondContact O-CB 3.05Å; N69-Q73 WeakPolarHBondContact O-CG 3.14Å; N69-Q73 PolarHBondContact O-N 2.68Å; Q73-D78 HydrophobicContact CB-CB 4.24Å; Q73-D78 HydrophobicContact CG-CB 4.16Å
74	R	90.7	Very high	93.3	Very high	205 Å²	205	97.6 Å²	97.6	77%	0.774	45%	0.454	S	S	*	.			trans	-75.8	-52.6	174.2	-179.7	-155.3	160.1	148.6	3.7	109.7	D78	R74-D78 VanDerWaalsContact CB-OD2 3.25Å; R74-D78 WeakPolarHBondContact CB-OD2 3.43Å; R74-D78 PolarHBondContact N-OD2 2.98Å
75	D	88.6	Confident	93.1	Very high	52 Å²	52	97.3 Å²	97.3	28%	0.278	45%	0.453	S	S	.	.	S	Bend	trans	-134.3	178.2	177.9	-38.2	-37.7	0	0	0	110.8	R77 D78	D75-R77 PolarHBondContact O-N 3.42Å; D75-R77 IonicContact OD2-CZ 3.43Å; D75-R77 IonicContact OD2-NE 3.83Å; D75-R77 PolarHBondContact OD2-NE 3.09Å; D75-R77 IonicContact OD2-NH2 3.37Å; D75-R77 PolarHBondContact OD2-NH2 2.85Å; D75-D78 PolarHBondContact N-OD2 3.18Å; D75-D78 PolarHBondContact O-N 3.46Å; D75-D78 VanDerWaalsContact O-N 3.09Å
76	H	82.9	Confident	93	Very high	101 Å²	101	97.7 Å²	97.7	47%	0.468	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-12	170.7	69.4	-96.1	0	0	0	115.2	F79 N100	H76-F79 VanDerWaalsContact O-CB 3.26Å; H76-F79 WeakPolarHBondContact O-CB 3.21Å; H76-F79 PolarHBondContact O-N 2.96Å; H76-N100 HydrophobicContact CB-CB 4.23Å; H76-N100 WeakPolarHBondContact CB-OD1 3.33Å; H76-N100 PolarHBondContact CD2-ND2 2.97Å
77	R	90	Very high	92.9	Very high	175 Å²	175	97.4 Å²	97.4	66%	0.66	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.2	178.6	-65.7	-178.5	-75.3	-172.9	-5.4	112.8	D75 F79	D75-R77 PolarHBondContact O-N 3.42Å; D75-R77 IonicContact OD2-CZ 3.43Å; D75-R77 IonicContact OD2-NE 3.83Å; D75-R77 PolarHBondContact OD2-NE 3.09Å; D75-R77 IonicContact OD2-NH2 3.37Å; D75-R77 PolarHBondContact OD2-NH2 2.85Å; R77-F79 VanDerWaalsContact C-N 3.31Å
78	D	93.1	Very high	92.7	Very high	71 Å²	71	93.8 Å²	93.8	38%	0.38	46%	0.464	S	S	.	.	S	Bend	trans	-89.1	-3.8	174.7	-49.3	-44.7	0	0	0	111.7	W72 Q73 R74 D75 R80	W72-D78 HydrophobicContact CZ3-CB 4.39Å; W72-D78 WeakPolarHBondContact CZ3-O 3.37Å; Q73-D78 HydrophobicContact CB-CB 4.24Å; Q73-D78 HydrophobicContact CG-CB 4.16Å; R74-D78 VanDerWaalsContact CB-OD2 3.25Å; R74-D78 WeakPolarHBondContact CB-OD2 3.43Å; R74-D78 PolarHBondContact N-OD2 2.98Å; D75-D78 PolarHBondContact N-OD2 3.18Å; D75-D78 PolarHBondContact O-N 3.46Å; D75-D78 VanDerWaalsContact O-N 3.09Å; D78-R80 PolarHBondContact O-N 2.88Å
79	F	90.6	Very high	92.5	Very high	34 Å²	34	96 Å²	96	15%	0.149	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-67	119.4	-178.7	-173.3	-95	0	0	0	110.6	H76 R77 A81 I82 V93 M98	H76-F79 VanDerWaalsContact O-CB 3.26Å; H76-F79 WeakPolarHBondContact O-CB 3.21Å; H76-F79 PolarHBondContact O-N 2.96Å; R77-F79 VanDerWaalsContact C-N 3.31Å; F79-A81 PolarHBondContact O-N 2.73Å; F79-I82 HydrophobicContact CE1-CD1 4.18Å; F79-I82 HydrophobicContact CE1-CG1 3.99Å; F79-I82 HydrophobicContact CZ-CD1 3.88Å; F79-I82 HydrophobicContact CZ-CG1 3.93Å; F79-V93 HydrophobicContact CE2-CG1 4.11Å; F79-V93 HydrophobicContact CE2-CG2 3.7Å; F79-V93 HydrophobicContact CZ-CG2 3.91Å; F79-M98 HydrophobicContact CD1-CE 4.33Å; F79-M98 HydrophobicContact CE1-CE 3.67Å; F79-M98 HydrophobicContact CE1-CG 4.21Å; F79-M98 HydrophobicContact CE1-SD 3.89Å; F79-M98 HydrophobicContact CE2-CG 4.17Å; F79-M98 HydrophobicContact CZ-CE 4.16Å; F79-M98 HydrophobicContact CZ-CG 3.93Å; F79-M98 HydrophobicContact CZ-SD 3.72Å
80	R	91.1	Very high	92.5	Very high	175 Å²	175	100.1 Å²	100.1	66%	0.66	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-67.8	119.6	173.9	-70	173.6	-170.6	-163.8	2.9	108.9	W72 D78 I82	W72-R80 HydrophobicContact CH2-CG 4.06Å; D78-R80 PolarHBondContact O-N 2.88Å; R80-I82 PolarHBondContact O-N 3.17Å
81	A	92.4	Very high	92.4	Very high	88 Å²	88	94.5 Å²	94.5	73%	0.727	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-56.5	123.7	179.1	0	0	0	0	0	110.9	F79 Q83	F79-A81 PolarHBondContact O-N 2.73Å; A81-Q83 PolarHBondContact O-N 3.41Å
82	I	94.4	Very high	92.4	Very high	37 Å²	37	87.8 Å²	87.8	19%	0.19	44%	0.439	C	S	.	.			trans	-67	113.7	172.5	-57.6	163.1	0	0	0	106.7	F79 R80 C88 D91 L92 M98 P407	F79-I82 HydrophobicContact CE1-CD1 4.18Å; F79-I82 HydrophobicContact CE1-CG1 3.99Å; F79-I82 HydrophobicContact CZ-CD1 3.88Å; F79-I82 HydrophobicContact CZ-CG1 3.93Å; R80-I82 PolarHBondContact O-N 3.17Å; I82-C88 HydrophobicContact CG2-CB 4.13Å; I82-D91 WeakPolarHBondContact CD1-O 3.31Å; I82-D91 HydrophobicContact CG1-CB 4.09Å; I82-L92 HydrophobicContact CD1-CD2 4.27Å; I82-M98 HydrophobicContact CD1-CE 4.41Å; I82-M98 HydrophobicContact CD1-SD 3.84Å; I82-P407 HydrophobicContact CG2-CB 3.98Å; I82-P407 HydrophobicContact CG2-CG 3.54Å
83	Q	94.8	Very high	92.4	Very high	131 Å²	131	82.3 Å²	82.3	61%	0.612	42%	0.418	S	S	*	.			trans	-68.6	146.3	179.3	-59.2	-178	-9.6	0	0	109.7	A81 D85 P407	A81-Q83 PolarHBondContact O-N 3.41Å; Q83-D85 PolarHBondContact O-N 2.79Å; Q83-P407 WeakPolarHBondContact O-CB 2.98Å
84	P	94.5	Very high	92.5	Very high	115 Å²	115	81.3 Å²	81.3	75%	0.747	41%	0.414	S	S	*	.	S	Bend	trans	-77.7	54.7	179.8	34.7	-37.3	0	0	0	111.3	G408	P84-G408 VanDerWaalsContact C-N 3.31Å; P84-G408 WeakPolarHBondContact O-CA 3.32Å; P84-G408 PolarHBondContact O-N 2.82Å
85	D	94.3	Very high	92.7	Very high	89 Å²	89	71.5 Å²	71.5	48%	0.476	38%	0.377	S	S	.	.	S	Bend	trans	-125.5	147.6	176.2	178.4	59.7	0	0	0	111	Q83 G87 C88 P407	Q83-D85 PolarHBondContact O-N 2.79Å; D85-G87 PolarHBondContact O-N 3.04Å; D85-G87 WeakPolarHBondContact OD2-CA 3.29Å; D85-G87 PolarHBondContact OD2-N 3.34Å; D85-C88 PolarHBondContact O-N 3Å; D85-C88 VanDerWaalsContact O-N 3.11Å; D85-P407 CarbonylContact C-O 3.53Å; D85-P407 WeakPolarHBondContact O-CB 3.18Å
86	A	93.1	Very high	92.9	Very high	68 Å²	68	73.5 Å²	73.5	56%	0.562	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-63	-26	-177.9	0	0	0	0	0	113.2	C88 Y89 P407	A86-C88 VanDerWaalsContact C-N 3.3Å; A86-C88 PolarHBondContact O-N 2.96Å; A86-Y89 WeakPolarHBondContact O-CD1 3.3Å; A86-P407 WeakPolarHBondContact CA-O 3.48Å
87	G	94.4	Very high	93.3	Very high	44 Å²	44	69.3 Å²	69.3	45%	0.454	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-69.3	-22.4	175.8	0	0	0	0	0	114.3	D85 Y89	D85-G87 PolarHBondContact O-N 3.04Å; D85-G87 WeakPolarHBondContact OD2-CA 3.29Å; D85-G87 PolarHBondContact OD2-N 3.34Å; G87-Y89 WeakPolarHBondContact O-CD1 3.48Å; G87-Y89 PolarHBondContact O-N 2.67Å; G87-Y89 VanDerWaalsContact O-N 3.15Å
88	C	93.6	Very high	93.3	Very high	18 Å²	18	62.1 Å²	62.1	12%	0.122	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-81.2	17.6	-178.8	-68.9	0	0	0	0	114.4	I82 D85 A86 N90 D91	I82-C88 HydrophobicContact CG2-CB 4.13Å; D85-C88 PolarHBondContact O-N 3Å; D85-C88 VanDerWaalsContact O-N 3.11Å; A86-C88 VanDerWaalsContact C-N 3.3Å; A86-C88 PolarHBondContact O-N 2.96Å; C88-N90 PolarHBondContact O-N 2.7Å; C88-D91 PolarHBondContact O-N 2.91Å; C88-D91 VanDerWaalsContact O-N 3.15Å
89	Y	91	Very high	93.3	Very high	140 Å²	140	63.7 Å²	63.7	55%	0.549	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-60.4	-27.6	178.8	69.2	-87.7	0	0	0	113.7	A86 G87 D91 L92	A86-Y89 WeakPolarHBondContact O-CD1 3.3Å; G87-Y89 WeakPolarHBondContact O-CD1 3.48Å; G87-Y89 PolarHBondContact O-N 2.67Å; G87-Y89 VanDerWaalsContact O-N 3.15Å; Y89-D91 VanDerWaalsContact C-N 3.34Å; Y89-L92 WeakPolarHBondContact O-CB 3.3Å
90	N	94.1	Very high	93.3	Very high	92 Å²	92	66.4 Å²	66.4	49%	0.492	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-72.9	-21.2	177.8	-77	-25.6	0	0	0	114	R65 C88 L92	R65-N90 WeakPolarHBondContact CD-O 3.43Å; R65-N90 VanDerWaalsContact CG-O 3.32Å; R65-N90 WeakPolarHBondContact CG-O 3.44Å; C88-N90 PolarHBondContact O-N 2.7Å; N90-L92 VanDerWaalsContact C-N 3.33Å
91	D	94.3	Very high	93.4	Very high	51 Å²	51	61.2 Å²	61.2	27%	0.273	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-88.7	-1.6	179.9	-69.3	-52.8	0	0	0	113.2	R65 I82 C88 Y89 V93	R65-D91 IonicContact CZ-OD1 3.64Å; R65-D91 IonicContact NE-OD1 2.99Å; R65-D91 PolarHBondContact NE-OD1 3.4Å; R65-D91 VanDerWaalsContact NE-OD1 3.11Å; R65-D91 IonicContact NH2-OD1 2.88Å; R65-D91 PolarHBondContact NH2-OD1 2.76Å; I82-D91 WeakPolarHBondContact CD1-O 3.31Å; I82-D91 HydrophobicContact CG1-CB 4.09Å; C88-D91 PolarHBondContact O-N 2.91Å; C88-D91 VanDerWaalsContact O-N 3.15Å; Y89-D91 VanDerWaalsContact C-N 3.34Å; D91-V93 PolarHBondContact O-N 3.04Å
92	L	94.3	Very high	93.4	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.079	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-62	117.3	171.5	-74.3	173.8	0	0	0	111	S62 I82 Y89 N90 R406 P407	S62-L92 WeakPolarHBondContact CA-O 3.45Å; S62-L92 WeakPolarHBondContact CB-O 3.46Å; I82-L92 HydrophobicContact CD1-CD2 4.27Å; Y89-L92 WeakPolarHBondContact O-CB 3.3Å; N90-L92 VanDerWaalsContact C-N 3.33Å; L92-R406 VanDerWaalsContact CD1-NH1 3.33Å; L92-P407 HydrophobicContact CD1-CG 4.5Å; L92-P407 HydrophobicContact CD2-CG 3.86Å; L92-P407 HydrophobicContact CG-CG 4.13Å
93	V	95.3	Very high	93.3	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-98.5	160.2	166.7	-66	0	0	0	0	110.6	R65 F79 D91 M98 R404	R65-V93 HydrophobicContact CB-CG1 4.48Å; R65-V93 HydrophobicContact CG-CG1 4.22Å; F79-V93 HydrophobicContact CE2-CG1 4.11Å; F79-V93 HydrophobicContact CE2-CG2 3.7Å; F79-V93 HydrophobicContact CZ-CG2 3.91Å; D91-V93 PolarHBondContact O-N 3.04Å; V93-M98 HydrophobicContact CG2-CG 3.52Å; V93-M98 HydrophobicContact CG2-SD 3.85Å; V93-R404 PolarHBondContact O-NH1 3.49Å; V93-R404 PolarHBondContact O-NH2 3.05Å
94	P	95.4	Very high	93	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.032	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-60.7	164.2	168.1	27.1	-38.7	0	0	0	112.1	S62 V63 Y66 L96 G97	S62-P94 VanDerWaalsContact C-CD 3.45Å; S62-P94 WeakPolarHBondContact O-CD 3.45Å; V63-P94 HydrophobicContact CG2-CG 4.33Å; Y66-P94 HydrophobicContact CG-CG 4.34Å; P94-L96 PolarHBondContact O-N 3.15Å; P94-L96 VanDerWaalsContact O-N 3.09Å; P94-G97 PolarHBondContact O-N 2.83Å
95	P	95.4	Very high	93	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-45.1	-39	173.3	-33.6	38.6	0	0	0	114.8	G97 M98 A105 H343 L386 H388	P95-G97 PolarHBondContact O-N 2.79Å; P95-M98 CarbonylContact O-C 3.48Å; P95-M98 PolarHBondContact O-N 3.45Å; P95-A105 HydrophobicContact CB-CB 4.39Å; P95-A105 HydrophobicContact CG-CB 4.11Å; P95-H343 PolarHBondContact O-CE1 3.44Å; P95-L386 WeakPolarHBondContact CD-O 3.28Å; P95-L386 WeakPolarHBondContact CG-O 3.44Å; P95-H388 HydrophobicContact CG-CB 4.47Å
96	L	92.3	Very high	93.1	Very high	93 Å²	93	45.7 Å²	45.7	49%	0.487	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.5	-30.4	176	-171.8	66.9	0	0	0	113.8	Y66 P94 M98 V342	Y66-L96 HydrophobicContact CE1-CD2 4.01Å; Y66-L96 HydrophobicContact CE1-CG 4.46Å; P94-L96 PolarHBondContact O-N 3.15Å; P94-L96 VanDerWaalsContact O-N 3.09Å; L96-M98 VanDerWaalsContact C-N 3.34Å; L96-V342 HydrophobicContact CB-CG1 4.29Å; L96-V342 HydrophobicContact CD1-CG1 3.82Å
97	G	90.9	Very high	93.2	Very high	14 Å²	14	42.4 Å²	42.4	14%	0.144	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-79.9	-10.1	177.9	0	0	0	0	0	114.9	P94 P95	P94-G97 PolarHBondContact O-N 2.83Å; P95-G97 PolarHBondContact O-N 2.79Å
98	M	90.8	Very high	93.2	Very high	23 Å²	23	40.6 Å²	40.6	11%	0.113	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-134.3	48	179.9	-62.4	178.8	74.7	0	0	110.7	F79 I82 V93 P95 L96 N100 N101 N104 H343	F79-M98 HydrophobicContact CD1-CE 4.33Å; F79-M98 HydrophobicContact CE1-CE 3.67Å; F79-M98 HydrophobicContact CE1-CG 4.21Å; F79-M98 HydrophobicContact CE1-SD 3.89Å; F79-M98 HydrophobicContact CE2-CG 4.17Å; F79-M98 HydrophobicContact CZ-CE 4.16Å; F79-M98 HydrophobicContact CZ-CG 3.93Å; F79-M98 HydrophobicContact CZ-SD 3.72Å; I82-M98 HydrophobicContact CD1-CE 4.41Å; I82-M98 HydrophobicContact CD1-SD 3.84Å; V93-M98 HydrophobicContact CG2-CG 3.52Å; V93-M98 HydrophobicContact CG2-SD 3.85Å; P95-M98 CarbonylContact O-C 3.48Å; P95-M98 PolarHBondContact O-N 3.45Å; L96-M98 VanDerWaalsContact C-N 3.34Å; M98-N100 PolarHBondContact O-N 2.95Å; M98-N100 VanDerWaalsContact O-N 3.07Å; M98-N101 CarbonylContact O-C 3.53Å; M98-N101 PolarHBondContact O-N 3.09Å; M98-N104 PolarHBondContact SD-ND2 3.17Å; M98-N104 VanDerWaalsContact SD-ND2 3.37Å; M98-H343 PolarHBondContact O-CE1 3.42Å
99	L	91.8	Very high	93.3	Very high	104 Å²	104	42.6 Å²	42.6	55%	0.545	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31	-174	-165.2	67.5	0	0	0	113.3	N101 V342 H343	L99-N101 VanDerWaalsContact C-N 3.33Å; L99-V342 HydrophobicContact CD1-CG1 3.96Å; L99-H343 PolarHBondContact O-ND1 3.24Å
100	N	91.8	Very high	93.5	Very high	91 Å²	91	39.1 Å²	39.1	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-15	176.9	68.9	-46	0	0	0	114.8	H76 M98	H76-N100 HydrophobicContact CB-CB 4.23Å; H76-N100 WeakPolarHBondContact CB-OD1 3.33Å; H76-N100 PolarHBondContact CD2-ND2 2.97Å; M98-N100 PolarHBondContact O-N 2.95Å; M98-N100 VanDerWaalsContact O-N 3.07Å
101	N	92.5	Very high	93.5	Very high	66 Å²	66	35.3 Å²	35.3	35%	0.353	19%	0.185	S	C	.	.			trans	-125.7	81.7	176.8	-175.2	2.9	0	0	0	110.8	M98 L99 M103 N104	M98-N101 CarbonylContact O-C 3.53Å; M98-N101 PolarHBondContact O-N 3.09Å; L99-N101 VanDerWaalsContact C-N 3.33Å; N101-M103 PolarHBondContact O-N 2.89Å; N101-M103 VanDerWaalsContact O-N 3.08Å; N101-M103 WeakPolarHBondContact OD1-CB 3.35Å; N101-M103 PolarHBondContact OD1-N 2.94Å; N101-N104 VanDerWaalsContact O-CB 3.32Å; N101-N104 WeakPolarHBondContact O-CB 3.35Å; N101-N104 PolarHBondContact O-N 3.42Å
102	P	93.4	Very high	93.5	Very high	17 Å²	17	36.7 Å²	36.7	11%	0.11	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56.4	-23.3	176.7	-26.4	36.4	0	0	0	114.4	N104 A105 H343 L346	P102-N104 PolarHBondContact O-N 2.9Å; P102-N104 VanDerWaalsContact O-N 3.16Å; P102-A105 PolarHBondContact O-N 2.98Å; P102-H343 HydrophobicContact CB-CB 3.99Å; P102-H343 HydrophobicContact CG-CB 4.28Å; P102-L346 HydrophobicContact CB-CB 4.33Å
103	M	92.1	Very high	93.5	Very high	75 Å²	75	38.4 Å²	38.4	37%	0.369	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-66.9	-18.8	-176.9	-46.1	-42.5	-174.6	0	0	112.6	N101 A105 V106 H360 V367	N101-M103 PolarHBondContact O-N 2.89Å; N101-M103 VanDerWaalsContact O-N 3.08Å; N101-M103 WeakPolarHBondContact OD1-CB 3.35Å; N101-M103 PolarHBondContact OD1-N 2.94Å; M103-A105 PolarHBondContact O-N 2.76Å; M103-V106 WeakPolarHBondContact O-CB 3.42Å; M103-V106 PolarHBondContact O-N 2.92Å; M103-H360 HydrophobicContact CE-CB 4.05Å; M103-V367 HydrophobicContact CE-CG1 4.11Å; M103-V367 HydrophobicContact CE-CG2 3.87Å; M103-V367 HydrophobicContact CG-CG1 4.31Å; M103-V367 HydrophobicContact SD-CB 4.35Å; M103-V367 HydrophobicContact SD-CG1 3.39Å; M103-V367 WeakPolarHBondContact SD-CG1 3.3Å; M103-V367 HydrophobicContact SD-CG2 3.97Å
104	N	88.7	Confident	93.5	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.134	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-53.2	-38.8	166.9	-178.9	15.2	0	0	0	111.9	M98 N101 P102 V106 R404	M98-N104 PolarHBondContact SD-ND2 3.17Å; M98-N104 VanDerWaalsContact SD-ND2 3.37Å; N101-N104 VanDerWaalsContact O-CB 3.32Å; N101-N104 WeakPolarHBondContact O-CB 3.35Å; N101-N104 PolarHBondContact O-N 3.42Å; P102-N104 PolarHBondContact O-N 2.9Å; P102-N104 VanDerWaalsContact O-N 3.16Å; N104-V106 VanDerWaalsContact C-N 3.32Å; N104-V106 PolarHBondContact O-N 2.68Å; N104-R404 PolarHBondContact ND2-NH1 3.07Å; N104-R404 WeakPolarHBondContact O-CD 3.04Å; N104-R404 WeakPolarHBondContact O-CG 3.36Å; N104-R404 PolarHBondContact OD1-NH1 2.94Å
105	A	93.9	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-86.5	7.4	-177.4	0	0	0	0	0	114.5	P95 P102 M103 T107 H340 L346 W383	P95-A105 HydrophobicContact CB-CB 4.39Å; P95-A105 HydrophobicContact CG-CB 4.11Å; P102-A105 PolarHBondContact O-N 2.98Å; M103-A105 PolarHBondContact O-N 2.76Å; A105-T107 PolarHBondContact O-N 2.95Å; A105-H340 VanDerWaalsContact CB-NE2 3.34Å; A105-H340 WeakPolarHBondContact CB-NE2 3.48Å; A105-L346 HydrophobicContact CB-CD2 3.71Å; A105-W383 VanDerWaalsContact O-CH2 3.25Å; A105-W383 WeakPolarHBondContact O-CH2 3.48Å; A105-W383 WeakPolarHBondContact O-CZ3 3.41Å
106	V	96	Very high	93.2	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.103	22%	0.224	C	C	.	.			trans	-69.5	118.6	170.8	174	0	0	0	0	108.5	M103 N104 T108 L346 F358 V367	M103-V106 WeakPolarHBondContact O-CB 3.42Å; M103-V106 PolarHBondContact O-N 2.92Å; N104-V106 VanDerWaalsContact C-N 3.32Å; N104-V106 PolarHBondContact O-N 2.68Å; V106-T108 HydrophobicContact CG1-CG2 3.94Å; V106-L346 HydrophobicContact CG2-CD1 4.42Å; V106-F358 HydrophobicContact CG1-CB 4.38Å; V106-F358 HydrophobicContact CG1-CD2 3.93Å; V106-F358 HydrophobicContact CG1-CE2 4.4Å; V106-F358 HydrophobicContact CG1-CG 4.1Å; V106-F358 HydrophobicContact CG2-CB 4.35Å; V106-V367 HydrophobicContact CG2-CG1 3.72Å
107	T	95.9	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.			trans	-109.1	71.6	-169	44.2	0	0	0	0	111	A105 F358 W383 L390 W402 T403 R404	A105-T107 PolarHBondContact O-N 2.95Å; T107-F358 WeakPolarHBondContact O-CZ 3.45Å; T107-F358 VanDerWaalsContact OG1-CE1 3.31Å; T107-F358 WeakPolarHBondContact OG1-CE1 3.43Å; T107-F358 VanDerWaalsContact OG1-CZ 3.22Å; T107-F358 WeakPolarHBondContact OG1-CZ 3.43Å; T107-W383 HydrophobicContact CG2-CH2 4.47Å; T107-W383 HydrophobicContact CG2-CZ3 3.83Å; T107-L390 VanDerWaalsContact OG1-CB 3.27Å; T107-L390 WeakPolarHBondContact OG1-CB 3.15Å; T107-W402 WeakPolarHBondContact O-CB 3.5Å; T107-T403 CarbonylContact C-O 3.56Å; T107-T403 VanDerWaalsContact CA-O 3.27Å; T107-T403 WeakPolarHBondContact CA-O 3.14Å; T107-R404 HydrophobicContact CG2-CG 4.05Å
108	T	94.4	Very high	93	Very high	5 Å²	5	48 Å²	48	3%	0.031	25%	0.246	C	C	.	.			trans	-95.6	-6.3	176.7	69.5	0	0	0	0	114.5	V106 F110 F358 M370 N405 N416	V106-T108 HydrophobicContact CG1-CG2 3.94Å; T108-F110 PolarHBondContact O-N 3.09Å; T108-F358 HydrophobicContact CG2-CD2 4.26Å; T108-F358 HydrophobicContact CG2-CE2 3.93Å; T108-M370 HydrophobicContact CG2-CG 4.32Å; T108-M370 HydrophobicContact CG2-SD 3.91Å; T108-N405 PolarHBondContact OG1-ND2 3.23Å; T108-N405 PolarHBondContact OG1-OD1 2.63Å; T108-N416 WeakPolarHBondContact CB-OD1 3.49Å; T108-N416 PolarHBondContact O-ND2 3.2Å; T108-N416 PolarHBondContact OG1-OD1 3.35Å
109	K	94.6	Very high	93.1	Very high	61 Å²	61	54.5 Å²	54.5	27%	0.265	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114.2	178.5	-177.5	166.4	-174.4	134.8	0	110.5	V111 W402 T403 R406 D409	K109-V111 PolarHBondContact O-N 3.21Å; K109-W402 CarbonylContact O-C 3.59Å; K109-W402 WeakPolarHBondContact O-CA 3.48Å; K109-T403 HydrophobicContact CB-CG2 3.93Å; K109-T403 WeakPolarHBondContact CB-O 3Å; K109-T403 HydrophobicContact CD-CG2 4.26Å; K109-T403 HydrophobicContact CG-CG2 4.03Å; K109-T403 PolarHBondContact N-O 2.86Å; K109-T403 PolarHBondContact O-N 2.98Å; K109-R406 HydrophobicContact CD-CG 4.4Å; K109-D409 WeakPolarHBondContact CD-OD2 3.11Å; K109-D409 IonicContact NZ-OD2 2.79Å; K109-D409 PolarHBondContact NZ-OD2 2.71Å
110	F	95	Very high	93.3	Very high	67 Å²	67	50.3 Å²	50.3	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	133.6	173.2	178.4	-114.3	0	0	0	112	T108 R112 T113 K400 W402 Y415	T108-F110 PolarHBondContact O-N 3.09Å; F110-R112 VanDerWaalsContact CZ-C 3.49Å; F110-T113 WeakPolarHBondContact CE2-OG1 3.32Å; F110-T113 VanDerWaalsContact CZ-N 3.35Å; F110-T113 VanDerWaalsContact CZ-OG1 3.28Å; F110-T113 WeakPolarHBondContact CZ-OG1 3.47Å; F110-K400 HydrophobicContact CE2-CD 4.31Å; F110-K400 HydrophobicContact CE2-CG 4.34Å; F110-W402 HydrophobicContact CB-CE3 3.99Å; F110-W402 HydrophobicContact CB-CZ3 3.74Å; F110-W402 AromaticContact CD2-CE3 3.98Å; F110-W402 HydrophobicContact CD2-CE3 3.98Å; F110-W402 AromaticContact CD2-CH2 3.99Å; F110-W402 HydrophobicContact CD2-CH2 3.99Å; F110-W402 AromaticContact CD2-CZ3 3.49Å; F110-W402 HydrophobicContact CD2-CZ3 3.49Å; F110-W402 VanDerWaalsContact CD2-CZ3 3.49Å; F110-W402 HydrophobicContact CG-CE3 4.5Å; F110-W402 HydrophobicContact CG-CZ3 4.05Å; F110-Y415 HydrophobicContact CB-CD2 3.78Å; F110-Y415 HydrophobicContact CB-CE2 3.67Å; F110-Y415 HydrophobicContact CD1-CE2 4.06Å; F110-Y415 AromaticContact CD2-CE2 3.88Å; F110-Y415 HydrophobicContact CD2-CE2 3.88Å; F110-Y415 HydrophobicContact CG-CD2 4.24Å; F110-Y415 AromaticContact CG-CE2 3.6Å; F110-Y415 HydrophobicContact CG-CE2 3.6Å
111	V	94.3	Very high	93.5	Very high	11 Å²	11	47 Å²	47	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-55.8	175.8	-174.4	0	0	0	0	111	I57 K109 F151 F401 T403	I57-V111 HydrophobicContact CD1-CG1 4.28Å; I57-V111 HydrophobicContact CD1-CG2 4.25Å; I57-V111 HydrophobicContact CG1-CB 4.48Å; I57-V111 HydrophobicContact CG1-CG1 3.67Å; I57-V111 HydrophobicContact CG1-CG2 3.9Å; K109-V111 PolarHBondContact O-N 3.21Å; V111-F151 HydrophobicContact CG1-CD2 3.84Å; V111-F151 HydrophobicContact CG1-CE2 3.54Å; V111-F151 HydrophobicContact CG1-CZ 4.27Å; V111-F401 HydrophobicContact CB-CB 4.19Å; V111-F401 WeakPolarHBondContact CB-O 3.32Å; V111-F401 PolarHBondContact N-O 3.27Å; V111-T403 HydrophobicContact CG2-CG2 3.4Å
112	R	94.4	Very high	93.8	Very high	81 Å²	81	44.1 Å²	44.1	31%	0.306	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	143.5	-171.8	-167.1	-177.9	-177.7	152.6	-0.7	111.8	F110 T150 F151 K400 F401	F110-R112 VanDerWaalsContact CZ-C 3.49Å; R112-T150 PolarHBondContact NH1-O 3.04Å; R112-F151 HydrophobicContact CB-CB 4.41Å; R112-F151 VanDerWaalsContact CD-CB 3.46Å; R112-F151 VanDerWaalsContact CZ-O 3.27Å; R112-F151 PolarHBondContact NE-O 3.03Å; R112-F151 VanDerWaalsContact NH1-C 3.34Å; R112-F151 PolarHBondContact NH1-O 2.86Å; R112-K400 WeakPolarHBondContact O-CA 3.21Å; R112-F401 PolarHBondContact O-N 3.22Å
113	T	95.4	Very high	94	Very high	50 Å²	50	44.4 Å²	44.4	31%	0.307	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124	159.4	-50.2	0	0	0	0	108.7	F110 T115 T398 K400	F110-T113 WeakPolarHBondContact CE2-OG1 3.32Å; F110-T113 VanDerWaalsContact CZ-N 3.35Å; F110-T113 VanDerWaalsContact CZ-OG1 3.28Å; F110-T113 WeakPolarHBondContact CZ-OG1 3.47Å; T113-T115 HydrophobicContact CG2-CG2 3.86Å; T113-T398 HydrophobicContact CG2-CG2 3.87Å; T113-K400 HydrophobicContact CG2-CG 4.01Å
114	S	94	Very high	94.3	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.5	171.9	-78.3	0	0	0	0	109.5	F151 S399 F401	S114-F151 PolarHBondContact OG-O 3.42Å; S114-S399 PolarHBondContact N-O 3.43Å; S114-S399 PolarHBondContact O-N 3.26Å; S114-F401 WeakPolarHBondContact OG-CE2 3.3Å
115	T	94	Very high	94.7	Very high	77 Å²	77	40 Å²	40	47%	0.472	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139	-175.9	53.8	0	0	0	0	110.8	T113 T398	T113-T115 HydrophobicContact CG2-CG2 3.86Å; T115-T398 HydrophobicContact CG2-CG2 3.58Å
116	N	91.3	Very high	94.9	Very high	17 Å²	17	42.1 Å²	42.1	9%	0.091	21%	0.207	C	C	.	.			trans	-75.2	154.3	169.5	-74.5	-2.7	0	0	0	110.2	V118 T144 W146	N116-V118 CarbonylContact C-O 3.57Å; N116-V118 WeakPolarHBondContact CB-O 3.45Å; N116-T144 PolarHBondContact ND2-OG1 2.83Å; N116-T144 WeakPolarHBondContact OD1-CG2 3.45Å; N116-T144 PolarHBondContact OD1-OG1 3.29Å; N116-W146 WeakPolarHBondContact OD1-CZ2 3.27Å
117	K	89.3	Confident	95	Very high	132 Å²	132	42 Å²	42	57%	0.574	20%	0.204	S	C	*	.	S	Bend	trans	-69.2	-43.7	175.8	-57	-164.4	-168.4	86.6	0	110.7	F43 K119	F43-K117 HydrophobicContact CB-CD 4.48Å; F43-K117 VanDerWaalsContact CB-NZ 3.29Å; F43-K117 HydrophobicContact CD1-CD 4.32Å; F43-K117 VanDerWaalsContact CD1-CE 3.47Å; F43-K117 HydrophobicContact CD2-CD 3.31Å; F43-K117 HydrophobicContact CE1-CD 4.39Å; F43-K117 HydrophobicContact CE2-CD 3.41Å; F43-K117 VanDerWaalsContact CE2-CD 3.41Å; F43-K117 HydrophobicContact CG-CD 3.8Å; F43-K117 VanDerWaalsContact CG-NZ 3.32Å; F43-K117 HydrophobicContact CZ-CD 3.95Å; K117-K119 PolarHBondContact O-N 3.33Å
118	V	89.8	Confident	95.1	Very high	87 Å²	87	42.2 Å²	42.2	53%	0.527	21%	0.206	S	C	.	.	S	Bend	trans	-75.3	116.1	162.7	-171.7	0	0	0	0	106.6	N116 C120	N116-V118 CarbonylContact C-O 3.57Å; N116-V118 WeakPolarHBondContact CB-O 3.45Å; V118-C120 PolarHBondContact O-N 3.38Å
119	K	92.8	Very high	95.2	Very high	158 Å²	158	43.8 Å²	43.8	69%	0.687	22%	0.216	S	C	*	.			trans	-82.4	100	-177.8	-68.4	-171	179.8	-174.2	0	109.6	K117 H397	K117-K119 PolarHBondContact O-N 3.33Å; K119-H397 HydrophobicContact CB-CB 3.97Å
120	C	95.3	Very high	95.2	Very high	16 Å²	16	46.4 Å²	46.4	11%	0.108	23%	0.229	C	C	.	.			trans	-123.1	140.6	178	-71.6	0	0	0	0	110.3	V118 V122 A138 S139 H397	V118-C120 PolarHBondContact O-N 3.38Å; C120-V122 PolarHBondContact O-N 2.77Å; C120-A138 HydrophobicContact CB-CB 4.1Å; C120-S139 WeakPolarHBondContact CB-OG 3.4Å; C120-H397 WeakPolarHBondContact O-CA 3.28Å
121	P	97	Very high	95.2	Very high	22 Å²	22	43.3 Å²	43.3	14%	0.143	22%	0.216	C	C	.	.			trans	-54.3	137.7	172	-29.9	36	0	0	0	111.8	F123 A138 S139 H397	P121-F123 HydrophobicContact CB-CE1 4.16Å; P121-F123 HydrophobicContact CB-CE2 4.37Å; P121-F123 HydrophobicContact CB-CZ 3.92Å; P121-A138 CarbonylContact O-C 3.09Å; P121-A138 WeakPolarHBondContact O-CA 3.26Å; P121-S139 WeakPolarHBondContact CD-OG 3.41Å; P121-S139 PolarHBondContact O-N 3.03Å; P121-H397 WeakPolarHBondContact CD-CD2 3.43Å
122	V	97.8	Very high	95.3	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119	175.1	-178.5	0	0	0	0	108.1	C120 I125 S394	C120-V122 PolarHBondContact O-N 2.77Å; V122-I125 HydrophobicContact CG1-CG2 3.59Å; V122-S394 PolarHBondContact N-O 3.28Å
123	F	98.1	Very high	95.4	Very high	23 Å²	23	48.1 Å²	48.1	10%	0.101	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-37.9	-175.5	-68.3	-56.3	0	0	0	112.8	P121 G137 S139 P163 V164 W379 S380	P121-F123 HydrophobicContact CB-CE1 4.16Å; P121-F123 HydrophobicContact CB-CE2 4.37Å; P121-F123 HydrophobicContact CB-CZ 3.92Å; F123-G137 PolarHBondContact N-O 2.6Å; F123-S139 VanDerWaalsContact CE2-CB 3.48Å; F123-P163 HydrophobicContact CD2-CB 4.17Å; F123-P163 HydrophobicContact CE2-CB 3.95Å; F123-V164 WeakPolarHBondContact CB-O 3.32Å; F123-W379 HydrophobicContact CD1-CB 4.46Å; F123-W379 AromaticContact CD1-CD1 3.61Å; F123-W379 AromaticContact CD1-CD2 3.8Å; F123-W379 HydrophobicContact CD1-CD2 3.8Å; F123-W379 AromaticContact CD1-CE2 3.74Å; F123-W379 AromaticContact CD1-CG 3.74Å; F123-W379 HydrophobicContact CD1-CG 3.74Å; F123-W379 HydrophobicContact CD1-CZ2 4.42Å; F123-W379 AromaticContact CD1-NE1 3.6Å; F123-W379 AromaticContact CE1-CD1 3.95Å; F123-W379 HydrophobicContact CE1-CD2 4.18Å; F123-W379 AromaticContact CE1-CE2 3.62Å; F123-W379 HydrophobicContact CE1-CG 4.38Å; F123-W379 AromaticContact CE1-CZ2 3.99Å; F123-W379 HydrophobicContact CE1-CZ2 3.99Å; F123-W379 AromaticContact CE1-NE1 3.46Å; F123-W379 WeakPolarHBondContact O-CB 3.47Å; F123-S380 VanDerWaalsContact O-CB 3.3Å; F123-S380 WeakPolarHBondContact O-CB 3.46Å
124	V	98	Very high	95.5	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.3	179.1	-70.1	0	0	0	0	111.2	G137 V164 R165 M167	V124-G137 PolarHBondContact N-O 2.9Å; V124-G137 PolarHBondContact O-N 3.28Å; V124-V164 HydrophobicContact CG2-CB 4.21Å; V124-V164 HydrophobicContact CG2-CG1 3.68Å; V124-R165 WeakPolarHBondContact CG1-O 3.15Å; V124-M167 HydrophobicContact CB-CB 4.1Å; V124-M167 HydrophobicContact CG2-CB 3.8Å; V124-M167 HydrophobicContact CG2-CE 4.38Å
125	I	97.9	Very high	95.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.7	173.1	57.2	165	0	0	0	109.1	V122 L134 V135 T136 S380 A382 C391	V122-I125 HydrophobicContact CG1-CG2 3.59Å; I125-L134 HydrophobicContact CB-CD1 4.46Å; I125-V135 WeakPolarHBondContact CA-O 3.42Å; I125-T136 HydrophobicContact CB-CG2 4.5Å; I125-T136 HydrophobicContact CG2-CG2 3.69Å; I125-S380 WeakPolarHBondContact CD1-O 3.49Å; I125-S380 PolarHBondContact N-OG 2.9Å; I125-A382 HydrophobicContact CD1-CB 3.97Å; I125-A382 HydrophobicContact CG1-CB 3.89Å; I125-A382 WeakPolarHBondContact O-CB 3.39Å; I125-C391 HydrophobicContact CD1-CB 3.81Å; I125-C391 WeakPolarHBondContact CD1-O 3.31Å
126	R	98.3	Very high	95.9	Very high	46 Å²	46	42 Å²	42	17%	0.174	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	140	171.6	-66.8	-62.7	177.7	-142.5	1.6	110.1	V135 M167 E207 L381	R126-V135 PolarHBondContact N-O 3.36Å; R126-V135 PolarHBondContact O-N 2.88Å; R126-M167 HydrophobicContact CB-CG 4.09Å; R126-M167 HydrophobicContact CB-SD 4Å; R126-M167 HydrophobicContact CG-CB 4.04Å; R126-M167 HydrophobicContact CG-CG 3.75Å; R126-M167 VanDerWaalsContact CG-O 3.23Å; R126-M167 WeakPolarHBondContact CG-O 3.39Å; R126-M167 HydrophobicContact CG-SD 4.17Å; R126-M167 PolarHBondContact NE-O 3.39Å; R126-E207 IonicContact NH2-OE1 3.85Å; R126-E207 PolarHBondContact NH2-OE1 2.83Å; R126-L381 PolarHBondContact NH1-O 2.8Å
127	W	98.3	Very high	96.2	Very high	14 Å²	14	41.1 Å²	41.1	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	145.4	165.3	-70.9	91.9	0	0	0	109.4	G131 R133 L134 G148 F151 W169 A382 H384 I389 F401	W127-G131 WeakPolarHBondContact CZ3-O 3.46Å; W127-R133 WeakPolarHBondContact CA-O 3.25Å; W127-L134 HydrophobicContact CD2-CB 4.28Å; W127-L134 HydrophobicContact CD2-CD1 3.75Å; W127-L134 HydrophobicContact CE3-CB 4.19Å; W127-L134 HydrophobicContact CE3-CD1 4.49Å; W127-L134 HydrophobicContact CG-CD1 3.79Å; W127-L134 HydrophobicContact CH2-CB 4.47Å; W127-L134 HydrophobicContact CZ2-CD1 4.26Å; W127-L134 HydrophobicContact CZ3-CB 4.29Å; W127-G148 VanDerWaalsContact CZ3-CA 3.48Å; W127-F151 HydrophobicContact CH2-CE1 4.29Å; W127-W169 VanDerWaalsContact O-CD1 3.29Å; W127-W169 PolarHBondContact O-NE1 3.27Å; W127-W169 VanDerWaalsContact O-NE1 3.08Å; W127-A382 PolarHBondContact NE1-O 3.34Å; W127-H384 HydrophobicContact CD2-CB 4.18Å; W127-H384 AromaticContact CE3-CD2 3.79Å; W127-H384 AromaticContact CH2-CD2 3.96Å; W127-H384 HydrophobicContact CZ2-CB 4.1Å; W127-H384 AromaticContact CZ3-CD2 3.64Å; W127-I389 HydrophobicContact CH2-CG2 4.41Å; W127-I389 HydrophobicContact CZ2-CG2 3.83Å; W127-F401 HydrophobicContact CH2-CD1 4.35Å; W127-F401 AromaticContact CH2-CE1 3.92Å; W127-F401 HydrophobicContact CH2-CE1 3.92Å; W127-F401 HydrophobicContact CZ2-CD1 4.07Å; W127-F401 AromaticContact CZ2-CE1 3.78Å; W127-F401 HydrophobicContact CZ2-CE1 3.78Å
128	T	97.6	Very high	96.6	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.031	16%	0.164	C	C	.	.			trans	-58.1	141.9	156.3	50.7	0	0	0	0	108.3	E130 G131 R132 R133 W169 M192	T128-E130 PolarHBondContact O-N 2.95Å; T128-E130 VanDerWaalsContact O-N 3.14Å; T128-G131 WeakPolarHBondContact O-CA 3.43Å; T128-G131 PolarHBondContact O-N 3.34Å; T128-R132 PolarHBondContact OG1-N 3.05Å; T128-R133 HydrophobicContact CG2-CB 3.8Å; T128-R133 PolarHBondContact N-O 2.97Å; T128-R133 PolarHBondContact OG1-N 3.15Å; T128-R133 PolarHBondContact OG1-O 3.41Å; T128-W169 HydrophobicContact CG2-CH2 4.23Å; T128-W169 HydrophobicContact CG2-CZ2 3.8Å; T128-M192 HydrophobicContact CG2-CE 4.35Å
129	P	96.1	Very high	96.9	Very high	37 Å²	37	32.3 Å²	32.3	24%	0.24	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.6	-177.9	-28.4	36.8	0	0	0	114.6	G131 W169 D173 P385	P129-G131 PolarHBondContact O-N 2.92Å; P129-W169 VanDerWaalsContact CD-CD2 3.48Å; P129-W169 HydrophobicContact CG-CB 3.91Å; P129-W169 HydrophobicContact CG-CD2 3.89Å; P129-W169 HydrophobicContact CG-CE3 4.02Å; P129-W169 HydrophobicContact CG-CG 3.84Å; P129-D173 HydrophobicContact CB-CB 4.05Å; P129-D173 WeakPolarHBondContact CB-OD1 3.19Å; P129-D173 HydrophobicContact CG-CB 4.08Å; P129-D173 VanDerWaalsContact CG-OD1 3.3Å; P129-D173 WeakPolarHBondContact CG-OD1 3.4Å; P129-P385 WeakPolarHBondContact O-CG 3.37Å
130	E	94.9	Very high	97.1	Very high	117 Å²	117	26.4 Å²	26.4	55%	0.547	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.2	171.3	57.3	166.8	177.9	0	0	114.6	T128 R132	T128-E130 PolarHBondContact O-N 2.95Å; T128-E130 VanDerWaalsContact O-N 3.14Å; E130-R132 HydrophobicContact CG-CB 3.68Å; E130-R132 PolarHBondContact O-N 3.37Å; E130-R132 VanDerWaalsContact O-N 3.14Å; E130-R132 VanDerWaalsContact OE1-CB 3.23Å; E130-R132 WeakPolarHBondContact OE1-CB 3.4Å; E130-R132 WeakPolarHBondContact OE1-CD 3.33Å
131	G	95.3	Very high	97.2	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	74.4	-10.9	-176.1	0	0	0	0	0	115.6	W127 T128 P129 R133 H384	W127-G131 WeakPolarHBondContact CZ3-O 3.46Å; T128-G131 WeakPolarHBondContact O-CA 3.43Å; T128-G131 PolarHBondContact O-N 3.34Å; P129-G131 PolarHBondContact O-N 2.92Å; G131-R133 VanDerWaalsContact C-N 3.3Å; G131-R133 PolarHBondContact O-N 2.75Å; G131-H384 WeakPolarHBondContact CA-NE2 3.14Å; G131-H384 PolarHBondContact O-NE2 3.26Å
132	R	95.6	Very high	97.2	Very high	137 Å²	137	26 Å²	26	52%	0.517	12%	0.123	S	C	.	.	S	Bend	trans	-55.2	-38.1	-177	-171.6	-167.1	175.5	141.6	0.8	114.4	T128 E130 G148	T128-R132 PolarHBondContact OG1-N 3.05Å; E130-R132 HydrophobicContact CG-CB 3.68Å; E130-R132 PolarHBondContact O-N 3.37Å; E130-R132 VanDerWaalsContact O-N 3.14Å; E130-R132 VanDerWaalsContact OE1-CB 3.23Å; E130-R132 WeakPolarHBondContact OE1-CB 3.4Å; E130-R132 WeakPolarHBondContact OE1-CD 3.33Å; R132-G148 WeakPolarHBondContact O-CA 3.14Å; R132-G148 PolarHBondContact O-N 3.45Å
133	R	96.4	Very high	97.2	Very high	55 Å²	55	25.7 Å²	25.7	21%	0.208	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151	-172.9	-69.8	163.8	165	173.2	-6.4	111.9	W127 T128 G131 W146 E154	W127-R133 WeakPolarHBondContact CA-O 3.25Å; T128-R133 HydrophobicContact CG2-CB 3.8Å; T128-R133 PolarHBondContact N-O 2.97Å; T128-R133 PolarHBondContact OG1-N 3.15Å; T128-R133 PolarHBondContact OG1-O 3.41Å; G131-R133 VanDerWaalsContact C-N 3.3Å; G131-R133 PolarHBondContact O-N 2.75Å; R133-W146 CarbonylContact C-O 3.58Å; R133-W146 VanDerWaalsContact CA-O 3.25Å; R133-W146 WeakPolarHBondContact CA-O 3.33Å; R133-E154 IonicContact CZ-OE2 3.03Å; R133-E154 IonicContact NE-OE2 2.66Å; R133-E154 PolarHBondContact NE-OE2 2.83Å; R133-E154 IonicContact NH2-OE2 2.83Å; R133-E154 PolarHBondContact NH2-OE2 3.35Å
134	L	97.8	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.6	161.2	-175.2	88.2	0	0	0	109.2	I125 W127 T136 L145 W146 A382 C391 F401	I125-L134 HydrophobicContact CB-CD1 4.46Å; W127-L134 HydrophobicContact CD2-CB 4.28Å; W127-L134 HydrophobicContact CD2-CD1 3.75Å; W127-L134 HydrophobicContact CE3-CB 4.19Å; W127-L134 HydrophobicContact CE3-CD1 4.49Å; W127-L134 HydrophobicContact CG-CD1 3.79Å; W127-L134 HydrophobicContact CH2-CB 4.47Å; W127-L134 HydrophobicContact CZ2-CD1 4.26Å; W127-L134 HydrophobicContact CZ3-CB 4.29Å; L134-T136 HydrophobicContact CD2-CG2 3.54Å; L134-T136 HydrophobicContact CG-CG2 4.17Å; L134-L145 WeakPolarHBondContact O-CA 3.34Å; L134-W146 HydrophobicContact CB-CB 4.36Å; L134-W146 PolarHBondContact N-O 3.28Å; L134-W146 PolarHBondContact O-N 3.42Å; L134-A382 HydrophobicContact CD1-CB 4.48Å; L134-C391 HydrophobicContact CD1-CB 4.09Å; L134-C391 HydrophobicContact CD2-CB 4.05Å; L134-C391 WeakPolarHBondContact CD2-SG 3.4Å; L134-F401 HydrophobicContact CB-CE1 4.3Å; L134-F401 HydrophobicContact CB-CZ 4.31Å; L134-F401 HydrophobicContact CD2-CE1 3.77Å; L134-F401 HydrophobicContact CD2-CZ 3.54Å
135	V	98.2	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.6	169.7	-168.2	0	0	0	0	108.5	I125 R126 F143 L145 M167 M192	I125-V135 WeakPolarHBondContact CA-O 3.42Å; R126-V135 PolarHBondContact N-O 3.36Å; R126-V135 PolarHBondContact O-N 2.88Å; V135-F143 HydrophobicContact CG1-CB 4Å; V135-F143 HydrophobicContact CG1-CD2 4.23Å; V135-F143 HydrophobicContact CG1-CG 4.04Å; V135-L145 HydrophobicContact CG1-CD1 4.1Å; V135-L145 HydrophobicContact CG2-CD1 4.41Å; V135-L145 HydrophobicContact CG2-CG 4.32Å; V135-M167 HydrophobicContact CB-CE 4.37Å; V135-M167 HydrophobicContact CB-SD 3.88Å; V135-M167 HydrophobicContact CG1-CE 3.64Å; V135-M167 HydrophobicContact CG1-SD 3.83Å; V135-M192 HydrophobicContact CG2-CE 3.73Å; V135-M192 HydrophobicContact CG2-SD 4.31Å
136	T	98	Very high	97.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.6	176.8	63.3	0	0	0	0	110.3	I125 L134 F143 T144 W146	I125-T136 HydrophobicContact CB-CG2 4.5Å; I125-T136 HydrophobicContact CG2-CG2 3.69Å; L134-T136 HydrophobicContact CD2-CG2 3.54Å; L134-T136 HydrophobicContact CG-CG2 4.17Å; T136-F143 WeakPolarHBondContact O-CA 3.15Å; T136-T144 PolarHBondContact N-O 2.84Å; T136-T144 PolarHBondContact O-N 3.12Å; T136-T144 PolarHBondContact OG1-O 2.87Å; T136-W146 PolarHBondContact OG1-NE1 2.82Å
137	G	97.8	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119	175.3	0	0	0	0	0	111.9	F123 V124	F123-G137 PolarHBondContact N-O 2.6Å; V124-G137 PolarHBondContact N-O 2.9Å; V124-G137 PolarHBondContact O-N 3.28Å
138	A	97.2	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	169.6	-175.5	0	0	0	0	0	113.6	C120 P121 S140 G141 E142 V164	C120-A138 HydrophobicContact CB-CB 4.1Å; P121-A138 CarbonylContact O-C 3.09Å; P121-A138 WeakPolarHBondContact O-CA 3.26Å; A138-S140 PolarHBondContact O-N 3.29Å; A138-G141 PolarHBondContact O-N 2.79Å; A138-E142 PolarHBondContact N-O 3.38Å; A138-V164 PolarHBondContact O-N 3.11Å
139	S	97.3	Very high	96.6	Very high	34 Å²	34	25.9 Å²	25.9	24%	0.238	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.2	174.8	75.5	0	0	0	0	114.3	C120 P121 F123 G141 P163	C120-S139 WeakPolarHBondContact CB-OG 3.4Å; P121-S139 WeakPolarHBondContact CD-OG 3.41Å; P121-S139 PolarHBondContact O-N 3.03Å; F123-S139 VanDerWaalsContact CE2-CB 3.48Å; S139-G141 PolarHBondContact O-N 3.13Å; S139-P163 WeakPolarHBondContact O-CA 3.34Å; S139-P163 WeakPolarHBondContact O-CG 3.29Å
140	S	96.6	Very high	96.5	Very high	34 Å²	34	25.6 Å²	25.6	24%	0.238	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7	176.9	43.7	0	0	0	0	113.8	A138 E142 Q158	A138-S140 PolarHBondContact O-N 3.29Å; S140-E142 WeakPolarHBondContact CB-OE2 3.18Å; S140-E142 PolarHBondContact O-N 2.89Å; S140-E142 WeakPolarHBondContact OG-CB 3.32Å; S140-E142 WeakPolarHBondContact OG-CG 3.42Å; S140-E142 PolarHBondContact OG-OE2 2.85Å; S140-Q158 PolarHBondContact O-NE2 2.86Å
141	G	96.3	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	77.9	4.8	-169	0	0	0	0	0	113.6	A138 S139 A159 H160 S162	A138-G141 PolarHBondContact O-N 2.79Å; S139-G141 PolarHBondContact O-N 3.13Å; G141-A159 WeakPolarHBondContact O-CB 3.3Å; G141-A159 PolarHBondContact O-N 3.2Å; G141-H160 WeakPolarHBondContact CA-O 3.37Å; G141-H160 PolarHBondContact O-N 2.6Å; G141-S162 VanDerWaalsContact CA-O 3.31Å; G141-S162 WeakPolarHBondContact CA-O 3.31Å
142	E	97.1	Very high	96.3	Very high	28 Å²	28	21.4 Å²	21.4	13%	0.131	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	141.3	175.7	-65.1	167.9	130.2	0	0	111.7	A138 S140 I156 L157 Q158	A138-E142 PolarHBondContact N-O 3.38Å; S140-E142 WeakPolarHBondContact CB-OE2 3.18Å; S140-E142 PolarHBondContact O-N 2.89Å; S140-E142 WeakPolarHBondContact OG-CB 3.32Å; S140-E142 WeakPolarHBondContact OG-CG 3.42Å; S140-E142 PolarHBondContact OG-OE2 2.85Å; E142-I156 HydrophobicContact CB-CD1 4.27Å; E142-I156 HydrophobicContact CB-CG1 4.21Å; E142-I156 HydrophobicContact CG-CD1 4.24Å; E142-I156 HydrophobicContact CG-CG1 4.41Å; E142-I156 VanDerWaalsContact OE1-CD1 3.3Å; E142-I156 WeakPolarHBondContact OE1-CD1 3.46Å; E142-L157 CarbonylContact C-O 3.6Å; E142-L157 VanDerWaalsContact CA-O 3.3Å; E142-L157 WeakPolarHBondContact CA-O 3.28Å; E142-Q158 VanDerWaalsContact CG-OE1 3.27Å
143	F	97.8	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.2	156.5	-63	-13	0	0	0	109	V135 T136 L145 I156 L157 A159 V164 M167 M176 T178 W188	V135-F143 HydrophobicContact CG1-CB 4Å; V135-F143 HydrophobicContact CG1-CD2 4.23Å; V135-F143 HydrophobicContact CG1-CG 4.04Å; T136-F143 WeakPolarHBondContact O-CA 3.15Å; F143-L145 HydrophobicContact CB-CD1 4.26Å; F143-I156 CarbonylContact O-C 3.55Å; F143-I156 WeakPolarHBondContact O-CA 3.24Å; F143-I156 WeakPolarHBondContact O-CG1 3.45Å; F143-L157 HydrophobicContact CB-CB 4.46Å; F143-L157 PolarHBondContact N-O 3.13Å; F143-L157 PolarHBondContact O-N 2.77Å; F143-A159 HydrophobicContact CB-CB 4.47Å; F143-A159 HydrophobicContact CD1-CB 3.54Å; F143-A159 HydrophobicContact CD2-CB 3.57Å; F143-A159 HydrophobicContact CE1-CB 3.41Å; F143-A159 VanDerWaalsContact CE1-CB 3.41Å; F143-A159 HydrophobicContact CE2-CB 3.45Å; F143-A159 VanDerWaalsContact CE2-CB 3.45Å; F143-A159 HydrophobicContact CG-CB 3.59Å; F143-A159 HydrophobicContact CZ-CB 3.33Å; F143-V164 HydrophobicContact CD1-CG2 4.2Å; F143-V164 HydrophobicContact CE1-CG1 3.97Å; F143-V164 HydrophobicContact CE1-CG2 3.83Å; F143-M167 HydrophobicContact CD1-CE 3.76Å; F143-M167 HydrophobicContact CE1-CE 3.57Å; F143-M167 HydrophobicContact CE2-CE 4.46Å; F143-M167 HydrophobicContact CG-CE 4.32Å; F143-M167 HydrophobicContact CZ-CE 3.98Å; F143-M176 HydrophobicContact CD2-CE 4.3Å; F143-M176 HydrophobicContact CE2-CE 3.78Å; F143-M176 HydrophobicContact CZ-CE 4.45Å; F143-T178 HydrophobicContact CE1-CG2 4.24Å; F143-T178 HydrophobicContact CE2-CG2 4.2Å; F143-T178 HydrophobicContact CZ-CG2 3.51Å; F143-W188 AromaticContact CE2-CD2 3.86Å; F143-W188 HydrophobicContact CE2-CD2 3.86Å; F143-W188 AromaticContact CE2-CE2 3.5Å; F143-W188 HydrophobicContact CE2-CE3 4.33Å; F143-W188 HydrophobicContact CE2-CG 4.34Å; F143-W188 HydrophobicContact CE2-CH2 4.19Å; F143-W188 AromaticContact CE2-CZ2 3.71Å; F143-W188 HydrophobicContact CE2-CZ2 3.71Å; F143-W188 HydrophobicContact CE2-CZ3 4.46Å; F143-W188 AromaticContact CE2-NE1 3.73Å; F143-W188 AromaticContact CZ-CE2 3.91Å; F143-W188 HydrophobicContact CZ-CZ2 4.07Å; F143-W188 AromaticContact CZ-NE1 3.78Å
144	T	97.6	Very high	96.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.1	165.6	-52.8	0	0	0	0	110	N116 T136 W146 F153	N116-T144 PolarHBondContact ND2-OG1 2.83Å; N116-T144 WeakPolarHBondContact OD1-CG2 3.45Å; N116-T144 PolarHBondContact OD1-OG1 3.29Å; T136-T144 PolarHBondContact N-O 2.84Å; T136-T144 PolarHBondContact O-N 3.12Å; T136-T144 PolarHBondContact OG1-O 2.87Å; T144-W146 HydrophobicContact CG2-CD2 4.36Å; T144-W146 HydrophobicContact CG2-CH2 4.3Å; T144-W146 HydrophobicContact CG2-CZ2 3.59Å; T144-F153 HydrophobicContact CG2-CD2 3.69Å; T144-F153 HydrophobicContact CG2-CE2 3.79Å
145	L	97.5	Very high	96	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.5	179.4	-85.3	68.4	0	0	0	109.8	L134 V135 F143 E154 T155 M192	L134-L145 WeakPolarHBondContact O-CA 3.34Å; V135-L145 HydrophobicContact CG1-CD1 4.1Å; V135-L145 HydrophobicContact CG2-CD1 4.41Å; V135-L145 HydrophobicContact CG2-CG 4.32Å; F143-L145 HydrophobicContact CB-CD1 4.26Å; L145-E154 HydrophobicContact CB-CB 4.44Å; L145-E154 PolarHBondContact O-N 3.4Å; L145-T155 HydrophobicContact CB-CG2 3.94Å; L145-T155 HydrophobicContact CD1-CG2 4.32Å; L145-T155 HydrophobicContact CD2-CG2 3.84Å; L145-T155 HydrophobicContact CG-CG2 4.24Å; L145-T155 PolarHBondContact N-O 3Å; L145-M192 HydrophobicContact CD1-CG 4.43Å; L145-M192 HydrophobicContact CD2-CG 3.77Å
146	W	97.4	Very high	95.9	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.045	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.6	177.2	-51.9	89	0	0	0	110.3	N116 R133 L134 T136 T144 N152 F153 F401	N116-W146 WeakPolarHBondContact OD1-CZ2 3.27Å; R133-W146 CarbonylContact C-O 3.58Å; R133-W146 VanDerWaalsContact CA-O 3.25Å; R133-W146 WeakPolarHBondContact CA-O 3.33Å; L134-W146 HydrophobicContact CB-CB 4.36Å; L134-W146 PolarHBondContact N-O 3.28Å; L134-W146 PolarHBondContact O-N 3.42Å; T136-W146 PolarHBondContact OG1-NE1 2.82Å; T144-W146 HydrophobicContact CG2-CD2 4.36Å; T144-W146 HydrophobicContact CG2-CH2 4.3Å; T144-W146 HydrophobicContact CG2-CZ2 3.59Å; W146-N152 CarbonylContact C-O 3.57Å; W146-N152 WeakPolarHBondContact CA-O 3.44Å; W146-F153 HydrophobicContact CE3-CB 4.45Å; W146-F153 HydrophobicContact CZ3-CB 4.1Å; W146-F401 HydrophobicContact CB-CZ 4.15Å; W146-F401 HydrophobicContact CG-CZ 4.43Å
147	N	96.7	Very high	95.8	Very high	31 Å²	31	27.3 Å²	27.3	17%	0.166	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.5	174.7	-175	-94.4	0	0	0	111.6	L149 T150 F151 N152 E154	N147-L149 PolarHBondContact O-N 2.86Å; N147-L149 PolarHBondContact OD1-N 2.96Å; N147-L149 VanDerWaalsContact OD1-N 3.09Å; N147-T150 PolarHBondContact OD1-N 3.09Å; N147-T150 PolarHBondContact OD1-OG1 2.91Å; N147-F151 WeakPolarHBondContact O-CA 3.3Å; N147-F151 PolarHBondContact O-N 2.87Å; N147-N152 WeakPolarHBondContact CB-OD1 3.3Å; N147-N152 PolarHBondContact N-O 2.59Å; N147-E154 WeakPolarHBondContact CA-OE1 3.44Å; N147-E154 HydrophobicContact CB-CG 4.14Å; N147-E154 VanDerWaalsContact CB-OE1 3.32Å; N147-E154 WeakPolarHBondContact CB-OE1 3.5Å; N147-E154 PolarHBondContact ND2-OE1 3.33Å
148	G	93.6	Very high	95.7	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.4	-174.3	0	0	0	0	0	116.8	W127 R132 F151	W127-G148 VanDerWaalsContact CZ3-CA 3.48Å; R132-G148 WeakPolarHBondContact O-CA 3.14Å; R132-G148 PolarHBondContact O-N 3.45Å; G148-F151 VanDerWaalsContact O-CE1 3.3Å; G148-F151 WeakPolarHBondContact O-CE1 3.31Å
149	L	93.9	Very high	95.7	Very high	52 Å²	52	33 Å²	33	27%	0.272	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-40.2	-177.5	-62.3	173.2	0	0	0	112.2	T56 I57 Y59 N147 F151	T56-L149 WeakPolarHBondContact CA-O 3.45Å; T56-L149 HydrophobicContact CG2-CB 4.46Å; I57-L149 PolarHBondContact N-O 2.83Å; Y59-L149 HydrophobicContact CD1-CD2 3.78Å; Y59-L149 HydrophobicContact CE1-CD2 3.57Å; N147-L149 PolarHBondContact O-N 2.86Å; N147-L149 PolarHBondContact OD1-N 2.96Å; N147-L149 VanDerWaalsContact OD1-N 3.09Å; L149-F151 VanDerWaalsContact O-CE2 3.29Å; L149-F151 WeakPolarHBondContact O-CE2 3.47Å
150	T	93.7	Very high	95.7	Very high	32 Å²	32	31.3 Å²	31.3	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-1.7	-171.6	57	0	0	0	0	113.5	T56 R112 N147 N152	T56-T150 HydrophobicContact CG2-CG2 3.79Å; R112-T150 PolarHBondContact NH1-O 3.04Å; N147-T150 PolarHBondContact OD1-N 3.09Å; N147-T150 PolarHBondContact OD1-OG1 2.91Å; T150-N152 PolarHBondContact O-N 2.89Å; T150-N152 PolarHBondContact OG1-OD1 2.91Å
151	F	94.5	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.			trans	56.1	22.1	170.6	-45.5	-72.9	0	0	0	114.8	I57 V111 R112 S114 W127 N147 G148 L149 I389 F401	I57-F151 HydrophobicContact CB-CE2 4.04Å; I57-F151 HydrophobicContact CB-CZ 4.04Å; I57-F151 HydrophobicContact CG1-CE2 3.89Å; I57-F151 HydrophobicContact CG1-CZ 4.16Å; V111-F151 HydrophobicContact CG1-CD2 3.84Å; V111-F151 HydrophobicContact CG1-CE2 3.54Å; V111-F151 HydrophobicContact CG1-CZ 4.27Å; R112-F151 HydrophobicContact CB-CB 4.41Å; R112-F151 VanDerWaalsContact CD-CB 3.46Å; R112-F151 VanDerWaalsContact CZ-O 3.27Å; R112-F151 PolarHBondContact NE-O 3.03Å; R112-F151 VanDerWaalsContact NH1-C 3.34Å; R112-F151 PolarHBondContact NH1-O 2.86Å; S114-F151 PolarHBondContact OG-O 3.42Å; W127-F151 HydrophobicContact CH2-CE1 4.29Å; N147-F151 WeakPolarHBondContact O-CA 3.3Å; N147-F151 PolarHBondContact O-N 2.87Å; G148-F151 VanDerWaalsContact O-CE1 3.3Å; G148-F151 WeakPolarHBondContact O-CE1 3.31Å; L149-F151 VanDerWaalsContact O-CE2 3.29Å; L149-F151 WeakPolarHBondContact O-CE2 3.47Å; F151-I389 HydrophobicContact CE1-CD1 4.15Å; F151-I389 HydrophobicContact CZ-CD1 3.78Å; F151-F401 HydrophobicContact CB-CD2 4.19Å; F151-F401 HydrophobicContact CB-CE2 4.2Å; F151-F401 HydrophobicContact CD1-CB 4.11Å; F151-F401 AromaticContact CD1-CD1 3.32Å; F151-F401 HydrophobicContact CD1-CD1 3.32Å; F151-F401 AromaticContact CD1-CD2 3.8Å; F151-F401 HydrophobicContact CD1-CD2 3.8Å; F151-F401 AromaticContact CD1-CE1 3.51Å; F151-F401 HydrophobicContact CD1-CE1 3.51Å; F151-F401 AromaticContact CD1-CE2 3.98Å; F151-F401 HydrophobicContact CD1-CE2 3.98Å; F151-F401 AromaticContact CD1-CG 3.46Å; F151-F401 HydrophobicContact CD1-CG 3.46Å; F151-F401 VanDerWaalsContact CD1-CG 3.46Å; F151-F401 AromaticContact CD1-CZ 3.83Å; F151-F401 HydrophobicContact CD1-CZ 3.83Å; F151-F401 HydrophobicContact CE1-CB 4.14Å; F151-F401 AromaticContact CE1-CD1 3.42Å; F151-F401 HydrophobicContact CE1-CD1 3.42Å; F151-F401 VanDerWaalsContact CE1-CD1 3.42Å; F151-F401 AromaticContact CE1-CE1 3.89Å; F151-F401 HydrophobicContact CE1-CE1 3.89Å; F151-F401 AromaticContact CE1-CG 3.81Å; F151-F401 HydrophobicContact CE1-CG 3.81Å; F151-F401 HydrophobicContact CG-CD1 4.39Å; F151-F401 HydrophobicContact CG-CD2 4.17Å; F151-F401 HydrophobicContact CG-CE2 4.45Å; F151-F401 HydrophobicContact CG-CG 4.12Å
152	N	92.4	Very high	95.8	Very high	31 Å²	31	37.7 Å²	37.7	17%	0.166	20%	0.196	C	C	.	.			trans	-82.2	152.9	173.2	64.4	-84.9	0	0	0	111.4	R54 W146 N147 T150 E154	R54-N152 VanDerWaalsContact NH1-CG 3.31Å; W146-N152 CarbonylContact C-O 3.57Å; W146-N152 WeakPolarHBondContact CA-O 3.44Å; N147-N152 WeakPolarHBondContact CB-OD1 3.3Å; N147-N152 PolarHBondContact N-O 2.59Å; T150-N152 PolarHBondContact O-N 2.89Å; T150-N152 PolarHBondContact OG1-OD1 2.91Å; N152-E154 PolarHBondContact O-N 2.9Å
153	F	94.4	Very high	95.8	Very high	88 Å²	88	37.8 Å²	37.8	39%	0.386	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	129.2	161.8	-179.5	-89.9	0	0	0	110.7	T144 W146 T155 I156	T144-F153 HydrophobicContact CG2-CD2 3.69Å; T144-F153 HydrophobicContact CG2-CE2 3.79Å; W146-F153 HydrophobicContact CE3-CB 4.45Å; W146-F153 HydrophobicContact CZ3-CB 4.1Å; F153-T155 VanDerWaalsContact CZ-C 3.47Å; F153-I156 HydrophobicContact CE2-CB 3.88Å; F153-I156 HydrophobicContact CE2-CG2 4.42Å; F153-I156 HydrophobicContact CZ-CB 3.87Å; F153-I156 HydrophobicContact CZ-CG2 4Å
154	E	93.7	Very high	95.8	Very high	55 Å²	55	37.8 Å²	37.8	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-55.5	167.8	-67	-165.5	-167.4	0	0	111	R133 L145 N147 N152	R133-E154 IonicContact CZ-OE2 3.03Å; R133-E154 IonicContact NE-OE2 2.66Å; R133-E154 PolarHBondContact NE-OE2 2.83Å; R133-E154 IonicContact NH2-OE2 2.83Å; R133-E154 PolarHBondContact NH2-OE2 3.35Å; L145-E154 HydrophobicContact CB-CB 4.44Å; L145-E154 PolarHBondContact O-N 3.4Å; N147-E154 WeakPolarHBondContact CA-OE1 3.44Å; N147-E154 HydrophobicContact CB-CG 4.14Å; N147-E154 VanDerWaalsContact CB-OE1 3.32Å; N147-E154 WeakPolarHBondContact CB-OE1 3.5Å; N147-E154 PolarHBondContact ND2-OE1 3.33Å; N152-E154 PolarHBondContact O-N 2.9Å
155	T	95	Very high	95.8	Very high	55 Å²	55	39.6 Å²	39.6	34%	0.337	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	165.5	179.6	-168.3	0	0	0	0	112	L145 F153	L145-T155 HydrophobicContact CB-CG2 3.94Å; L145-T155 HydrophobicContact CD1-CG2 4.32Å; L145-T155 HydrophobicContact CD2-CG2 3.84Å; L145-T155 HydrophobicContact CG-CG2 4.24Å; L145-T155 PolarHBondContact N-O 3Å; F153-T155 VanDerWaalsContact CZ-C 3.47Å
156	I	95.1	Very high	95.9	Very high	66 Å²	66	39.6 Å²	39.6	34%	0.338	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.4	171.5	-164.8	165.6	0	0	0	109	E142 F143 F153	E142-I156 HydrophobicContact CB-CD1 4.27Å; E142-I156 HydrophobicContact CB-CG1 4.21Å; E142-I156 HydrophobicContact CG-CD1 4.24Å; E142-I156 HydrophobicContact CG-CG1 4.41Å; E142-I156 VanDerWaalsContact OE1-CD1 3.3Å; E142-I156 WeakPolarHBondContact OE1-CD1 3.46Å; F143-I156 CarbonylContact O-C 3.55Å; F143-I156 WeakPolarHBondContact O-CA 3.24Å; F143-I156 WeakPolarHBondContact O-CG1 3.45Å; F153-I156 HydrophobicContact CE2-CB 3.88Å; F153-I156 HydrophobicContact CE2-CG2 4.42Å; F153-I156 HydrophobicContact CZ-CB 3.87Å; F153-I156 HydrophobicContact CZ-CG2 4Å
157	L	95.9	Very high	95.9	Very high	53 Å²	53	39 Å²	39	28%	0.277	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.5	-178.9	-60.4	170.7	0	0	0	109	E142 F143 A159 M192	E142-L157 CarbonylContact C-O 3.6Å; E142-L157 VanDerWaalsContact CA-O 3.3Å; E142-L157 WeakPolarHBondContact CA-O 3.28Å; F143-L157 HydrophobicContact CB-CB 4.46Å; F143-L157 PolarHBondContact N-O 3.13Å; F143-L157 PolarHBondContact O-N 2.77Å; L157-A159 PolarHBondContact O-N 3.14Å; L157-M192 HydrophobicContact CD1-CB 3.49Å; L157-M192 VanDerWaalsContact CD1-CB 3.49Å; L157-M192 HydrophobicContact CD1-CG 4.17Å
158	Q	96.3	Very high	96	Very high	116 Å²	116	38.6 Å²	38.6	54%	0.542	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	103	166.4	-169.1	65.8	28.2	0	0	107.9	S140 E142 H160	S140-Q158 PolarHBondContact O-NE2 2.86Å; E142-Q158 VanDerWaalsContact CG-OE1 3.27Å; Q158-H160 PolarHBondContact NE2-O 3.29Å
159	A	96.3	Very high	96.2	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	21%	0.206	C	C	.	.			trans	-97.6	-38.9	-170.4	0	0	0	0	0	112.6	G141 F143 L157 K186 W188	G141-A159 WeakPolarHBondContact O-CB 3.3Å; G141-A159 PolarHBondContact O-N 3.2Å; F143-A159 HydrophobicContact CB-CB 4.47Å; F143-A159 HydrophobicContact CD1-CB 3.54Å; F143-A159 HydrophobicContact CD2-CB 3.57Å; F143-A159 HydrophobicContact CE1-CB 3.41Å; F143-A159 VanDerWaalsContact CE1-CB 3.41Å; F143-A159 HydrophobicContact CE2-CB 3.45Å; F143-A159 VanDerWaalsContact CE2-CB 3.45Å; F143-A159 HydrophobicContact CG-CB 3.59Å; F143-A159 HydrophobicContact CZ-CB 3.33Å; L157-A159 PolarHBondContact O-N 3.14Å; A159-K186 VanDerWaalsContact O-CD 3.31Å; A159-K186 WeakPolarHBondContact O-CD 3.21Å; A159-K186 WeakPolarHBondContact O-CE 3.46Å; A159-K186 PolarHBondContact O-NZ 3.42Å; A159-W188 HydrophobicContact CB-CH2 3.78Å; A159-W188 HydrophobicContact CB-CZ2 3.58Å
160	H	97.8	Very high	96.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.			trans	-134.6	160.8	179.4	-70.7	-102.2	0	0	0	110.5	G141 Q158 S162 T178 D180	G141-H160 WeakPolarHBondContact CA-O 3.37Å; G141-H160 PolarHBondContact O-N 2.6Å; Q158-H160 PolarHBondContact NE2-O 3.29Å; H160-S162 VanDerWaalsContact C-N 3.28Å; H160-S162 WeakPolarHBondContact CB-O 3.34Å; H160-T178 PolarHBondContact NE2-OG1 3.26Å; H160-D180 HydrophobicContact CB-CB 4.09Å; H160-D180 IonicContact CE1-OD2 2.7Å; H160-D180 IonicContact CG-OD2 2.67Å; H160-D180 WeakPolarHBondContact ND1-CB 3.47Å; H160-D180 IonicContact ND1-OD2 2.68Å; H160-D180 PolarHBondContact ND1-OD2 3.03Å
161	D	96.6	Very high	96.3	Very high	137 Å²	137	41.4 Å²	41.4	73%	0.733	21%	0.21	S	C	*	.	S	Bend	trans	-93.4	7	176	-48.6	-65.9	0	0	0	111.7
162	S	97.6	Very high	96.2	Very high	31 Å²	31	44.7 Å²	44.7	22%	0.217	23%	0.227	C	C	.	.	S	Bend	trans	-145.5	159.8	-175.8	-79.1	0	0	0	0	110	G141 H160 V164 S182	G141-S162 VanDerWaalsContact CA-O 3.31Å; G141-S162 WeakPolarHBondContact CA-O 3.31Å; H160-S162 VanDerWaalsContact C-N 3.28Å; H160-S162 WeakPolarHBondContact CB-O 3.34Å; S162-V164 PolarHBondContact O-N 3.47Å; S162-S182 WeakPolarHBondContact CB-OG 3.38Å; S162-S182 PolarHBondContact OG-OG 3.48Å
163	P	98.2	Very high	96.3	Very high	30 Å²	30	47.2 Å²	47.2	20%	0.195	24%	0.241	C	C	.	.			trans	-48.7	126.6	178.3	-27.9	30.4	0	0	0	112.6	F123 S139 R165 D180 H181	F123-P163 HydrophobicContact CD2-CB 4.17Å; F123-P163 HydrophobicContact CE2-CB 3.95Å; S139-P163 WeakPolarHBondContact O-CA 3.34Å; S139-P163 WeakPolarHBondContact O-CG 3.29Å; P163-R165 PolarHBondContact O-N 3.24Å; P163-D180 CarbonylContact O-C 3.6Å; P163-D180 WeakPolarHBondContact O-CA 3.33Å; P163-H181 HydrophobicContact CB-CB 4.08Å; P163-H181 HydrophobicContact CG-CB 4.18Å; P163-H181 PolarHBondContact O-N 3.03Å
164	V	98.3	Very high	96.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.9	173.7	-166.8	0	0	0	0	108.3	F123 V124 A138 F143 S162	F123-V164 WeakPolarHBondContact CB-O 3.32Å; V124-V164 HydrophobicContact CG2-CB 4.21Å; V124-V164 HydrophobicContact CG2-CG1 3.68Å; A138-V164 PolarHBondContact O-N 3.11Å; F143-V164 HydrophobicContact CD1-CG2 4.2Å; F143-V164 HydrophobicContact CE1-CG1 3.97Å; F143-V164 HydrophobicContact CE1-CG2 3.83Å; S162-V164 PolarHBondContact O-N 3.47Å
165	R	97.8	Very high	96.5	Very high	38 Å²	38	48.9 Å²	48.9	14%	0.143	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-34.8	-174.4	-65.8	-57.8	-178.6	-166.7	-6.5	114.2	V124 P163 A179 H181 I205	V124-R165 WeakPolarHBondContact CG1-O 3.15Å; P163-R165 PolarHBondContact O-N 3.24Å; R165-A179 PolarHBondContact N-O 2.85Å; R165-H181 HydrophobicContact CG-CB 4.12Å; R165-H181 PolarHBondContact NE-ND1 3.18Å; R165-I205 WeakPolarHBondContact CB-O 3.22Å; R165-I205 WeakPolarHBondContact CG-O 3.01Å
166	A	97.9	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.6	175.1	0	0	0	0	0	110.2	T178 A179 A208	A166-T178 VanDerWaalsContact O-CA 3.31Å; A166-T178 WeakPolarHBondContact O-CA 3.11Å; A166-A179 HydrophobicContact CB-CB 3.94Å; A166-A179 PolarHBondContact N-O 3.49Å; A166-A179 VanDerWaalsContact N-O 3.09Å; A166-A179 PolarHBondContact O-N 2.77Å; A166-A208 HydrophobicContact CB-CB 4.01Å
167	M	98.3	Very high	96.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	123.4	172.1	-177.7	177.6	-74.8	0	0	108.3	V124 R126 V135 F143 M176 L177 T178	V124-M167 HydrophobicContact CB-CB 4.1Å; V124-M167 HydrophobicContact CG2-CB 3.8Å; V124-M167 HydrophobicContact CG2-CE 4.38Å; R126-M167 HydrophobicContact CB-CG 4.09Å; R126-M167 HydrophobicContact CB-SD 4Å; R126-M167 HydrophobicContact CG-CB 4.04Å; R126-M167 HydrophobicContact CG-CG 3.75Å; R126-M167 VanDerWaalsContact CG-O 3.23Å; R126-M167 WeakPolarHBondContact CG-O 3.39Å; R126-M167 HydrophobicContact CG-SD 4.17Å; R126-M167 PolarHBondContact NE-O 3.39Å; V135-M167 HydrophobicContact CB-CE 4.37Å; V135-M167 HydrophobicContact CB-SD 3.88Å; V135-M167 HydrophobicContact CG1-CE 3.64Å; V135-M167 HydrophobicContact CG1-SD 3.83Å; F143-M167 HydrophobicContact CD1-CE 3.76Å; F143-M167 HydrophobicContact CE1-CE 3.57Å; F143-M167 HydrophobicContact CE2-CE 4.46Å; F143-M167 HydrophobicContact CG-CE 4.32Å; F143-M167 HydrophobicContact CZ-CE 3.98Å; M167-M176 HydrophobicContact CE-SD 4.34Å; M167-M176 HydrophobicContact CG-CG 4.2Å; M167-M176 HydrophobicContact CG-SD 3.78Å; M167-M176 HydrophobicContact SD-SD 3.96Å; M167-L177 WeakPolarHBondContact CA-O 3.46Å; M167-T178 HydrophobicContact CB-CG2 4.3Å; M167-T178 HydrophobicContact CE-CG2 4.01Å; M167-T178 HydrophobicContact CG-CG2 3.98Å
168	T	97.9	Very high	96.9	Very high	23 Å²	23	40.7 Å²	40.7	14%	0.141	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.1	179.4	-169.3	0	0	0	0	110.8	M176 L177 A208 F210	T168-M176 CarbonylContact O-C 3.56Å; T168-M176 WeakPolarHBondContact O-CA 3.33Å; T168-L177 HydrophobicContact CG2-CB 3.92Å; T168-L177 PolarHBondContact N-O 3.34Å; T168-L177 PolarHBondContact O-N 3.02Å; T168-A208 HydrophobicContact CG2-CB 4.43Å; T168-A208 WeakPolarHBondContact CG2-O 3.38Å; T168-F210 HydrophobicContact CG2-CD2 3.72Å; T168-F210 HydrophobicContact CG2-CE2 3.87Å
169	W	97.9	Very high	97	Very high	28 Å²	28	35.2 Å²	35.2	11%	0.106	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.8	176.2	-74.3	91.9	0	0	0	110.1	W127 T128 P129 M176 M192 F210	W127-W169 VanDerWaalsContact O-CD1 3.29Å; W127-W169 PolarHBondContact O-NE1 3.27Å; W127-W169 VanDerWaalsContact O-NE1 3.08Å; T128-W169 HydrophobicContact CG2-CH2 4.23Å; T128-W169 HydrophobicContact CG2-CZ2 3.8Å; P129-W169 VanDerWaalsContact CD-CD2 3.48Å; P129-W169 HydrophobicContact CG-CB 3.91Å; P129-W169 HydrophobicContact CG-CD2 3.89Å; P129-W169 HydrophobicContact CG-CE3 4.02Å; P129-W169 HydrophobicContact CG-CG 3.84Å; W169-M176 HydrophobicContact CD2-CB 3.8Å; W169-M176 HydrophobicContact CD2-CG 4.17Å; W169-M176 HydrophobicContact CE3-CB 3.79Å; W169-M176 HydrophobicContact CG-CB 4.48Å; W169-M176 HydrophobicContact CH2-CB 4.05Å; W169-M176 HydrophobicContact CZ2-CB 4.06Å; W169-M176 HydrophobicContact CZ2-CG 4.32Å; W169-M176 HydrophobicContact CZ2-SD 3.78Å; W169-M176 HydrophobicContact CZ3-CB 3.92Å; W169-M192 HydrophobicContact CH2-CE 3.73Å; W169-M192 HydrophobicContact CZ2-CE 3.74Å; W169-F210 VanDerWaalsContact O-CD2 3.26Å; W169-F210 WeakPolarHBondContact O-CD2 3.21Å
170	S	96.4	Very high	97	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.028	18%	0.178	C	C	.	.			trans	-68	154.7	168.2	58.8	0	0	0	0	110.2	N172 D173 M174 W175 F210	S170-N172 WeakPolarHBondContact CB-OD1 3.39Å; S170-N172 PolarHBondContact O-N 2.95Å; S170-N172 PolarHBondContact OG-OD1 2.82Å; S170-D173 PolarHBondContact O-N 3.09Å; S170-M174 PolarHBondContact OG-N 3.5Å; S170-W175 PolarHBondContact N-O 3.3Å; S170-W175 PolarHBondContact OG-N 3.01Å; S170-W175 PolarHBondContact OG-O 3.3Å; S170-W175 VanDerWaalsContact OG-O 3.07Å; S170-F210 VanDerWaalsContact N-CE2 3.26Å
171	H	94.6	Very high	97	Very high	113 Å²	113	38.8 Å²	38.8	52%	0.523	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.1	-179.4	-56.8	84.6	0	0	0	112.7	D214	H171-D214 IonicContact CE1-OD1 2.62Å; H171-D214 IonicContact CG-OD1 2.63Å; H171-D214 PolarHBondContact N-OD1 3.21Å; H171-D214 PolarHBondContact N-OD2 2.91Å; H171-D214 IonicContact ND1-OD1 2.67Å; H171-D214 PolarHBondContact ND1-OD1 3.38Å
172	N	92.9	Very high	97.1	Very high	69 Å²	69	34.1 Å²	34.1	37%	0.369	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	8.1	177	68.2	18.1	0	0	0	115.2	S170 M174 D214	S170-N172 WeakPolarHBondContact CB-OD1 3.39Å; S170-N172 PolarHBondContact O-N 2.95Å; S170-N172 PolarHBondContact OG-OD1 2.82Å; N172-M174 WeakPolarHBondContact O-CG 3.39Å; N172-M174 PolarHBondContact O-N 2.85Å; N172-M174 WeakPolarHBondContact OD1-CB 3.38Å; N172-M174 PolarHBondContact OD1-N 3.27Å; N172-M174 VanDerWaalsContact OD1-N 3.1Å; N172-D214 PolarHBondContact N-OD2 3.23Å; N172-D214 VanDerWaalsContact N-OD2 3.1Å; N172-D214 PolarHBondContact ND2-OD2 2.93Å
173	D	93.6	Very high	97	Very high	84 Å²	84	32.7 Å²	32.7	45%	0.449	16%	0.163	S	C	.	.	S	Bend	trans	62.8	-1.8	178.8	-50.9	-16.6	0	0	0	116.6	P129 S170	P129-D173 HydrophobicContact CB-CB 4.05Å; P129-D173 WeakPolarHBondContact CB-OD1 3.19Å; P129-D173 HydrophobicContact CG-CB 4.08Å; P129-D173 VanDerWaalsContact CG-OD1 3.3Å; P129-D173 WeakPolarHBondContact CG-OD1 3.4Å; S170-D173 PolarHBondContact O-N 3.09Å
174	M	94.5	Very high	97	Very high	116 Å²	116	35 Å²	35	57%	0.571	17%	0.168	S	C	*	.	S	Bend	trans	-76.7	-31	-175.4	-60.1	-175.6	-176.2	0	0	113.2	S170 N172	S170-M174 PolarHBondContact OG-N 3.5Å; N172-M174 WeakPolarHBondContact O-CG 3.39Å; N172-M174 PolarHBondContact O-N 2.85Å; N172-M174 WeakPolarHBondContact OD1-CB 3.38Å; N172-M174 PolarHBondContact OD1-N 3.27Å; N172-M174 VanDerWaalsContact OD1-N 3.1Å
175	W	97.1	Very high	97	Very high	62 Å²	62	35.1 Å²	35.1	24%	0.235	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.7	-167.3	-62.8	104.2	0	0	0	112.5	S170 W188 Q189 V195 F231	S170-W175 PolarHBondContact N-O 3.3Å; S170-W175 PolarHBondContact OG-N 3.01Å; S170-W175 PolarHBondContact OG-O 3.3Å; S170-W175 VanDerWaalsContact OG-O 3.07Å; W175-W188 CarbonylContact C-O 3.16Å; W175-W188 WeakPolarHBondContact CA-O 3.26Å; W175-Q189 HydrophobicContact CE3-CG 4.4Å; W175-Q189 HydrophobicContact CH2-CG 4.36Å; W175-Q189 HydrophobicContact CZ3-CG 3.99Å; W175-V195 HydrophobicContact CH2-CB 4.36Å; W175-V195 HydrophobicContact CH2-CG1 4.14Å; W175-V195 HydrophobicContact CH2-CG2 4.12Å; W175-V195 HydrophobicContact CZ3-CB 3.95Å; W175-V195 HydrophobicContact CZ3-CG1 4.21Å; W175-V195 HydrophobicContact CZ3-CG2 3.71Å; W175-F231 HydrophobicContact CB-CE2 4.28Å; W175-F231 HydrophobicContact CB-CZ 3.86Å; W175-F231 AromaticContact CD1-CE1 3.9Å; W175-F231 AromaticContact CD1-CZ 3.64Å; W175-F231 HydrophobicContact CD2-CE1 4.16Å; W175-F231 AromaticContact CD2-CZ 3.61Å; W175-F231 HydrophobicContact CD2-CZ 3.61Å; W175-F231 AromaticContact CE2-CE1 3.98Å; W175-F231 AromaticContact CE2-CZ 3.93Å; W175-F231 HydrophobicContact CE3-CZ 4.18Å; W175-F231 HydrophobicContact CG-CE1 4.12Å; W175-F231 HydrophobicContact CG-CE2 4.31Å; W175-F231 AromaticContact CG-CZ 3.43Å; W175-F231 HydrophobicContact CG-CZ 3.43Å; W175-F231 VanDerWaalsContact CG-CZ 3.43Å; W175-F231 AromaticContact NE1-CE1 3.83Å; W175-F231 AromaticContact NE1-CZ 3.94Å
176	M	97.9	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.4	166	179.6	-177.9	65.6	0	0	108.7	F143 M167 T168 W169 T178 W188 M192	F143-M176 HydrophobicContact CD2-CE 4.3Å; F143-M176 HydrophobicContact CE2-CE 3.78Å; F143-M176 HydrophobicContact CZ-CE 4.45Å; M167-M176 HydrophobicContact CE-SD 4.34Å; M167-M176 HydrophobicContact CG-CG 4.2Å; M167-M176 HydrophobicContact CG-SD 3.78Å; M167-M176 HydrophobicContact SD-SD 3.96Å; T168-M176 CarbonylContact O-C 3.56Å; T168-M176 WeakPolarHBondContact O-CA 3.33Å; W169-M176 HydrophobicContact CD2-CB 3.8Å; W169-M176 HydrophobicContact CD2-CG 4.17Å; W169-M176 HydrophobicContact CE3-CB 3.79Å; W169-M176 HydrophobicContact CG-CB 4.48Å; W169-M176 HydrophobicContact CH2-CB 4.05Å; W169-M176 HydrophobicContact CZ2-CB 4.06Å; W169-M176 HydrophobicContact CZ2-CG 4.32Å; W169-M176 HydrophobicContact CZ2-SD 3.78Å; W169-M176 HydrophobicContact CZ3-CB 3.92Å; M176-T178 HydrophobicContact CE-CG2 3.98Å; M176-T178 HydrophobicContact CG-CG2 4.04Å; M176-T178 HydrophobicContact SD-CG2 4.22Å; M176-W188 HydrophobicContact CB-CB 4.16Å; M176-W188 HydrophobicContact CE-CB 3.8Å; M176-W188 HydrophobicContact CE-CG 3.86Å; M176-W188 PolarHBondContact N-O 2.88Å; M176-W188 PolarHBondContact O-N 3.38Å; M176-M192 HydrophobicContact CE-CE 4.38Å; M176-M192 HydrophobicContact CE-SD 3.75Å
177	L	98.2	Very high	97.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132	170.5	-84.7	175	0	0	0	109.3	M167 T168 V185 Y187 F210 F217	M167-L177 WeakPolarHBondContact CA-O 3.46Å; T168-L177 HydrophobicContact CG2-CB 3.92Å; T168-L177 PolarHBondContact N-O 3.34Å; T168-L177 PolarHBondContact O-N 3.02Å; L177-V185 HydrophobicContact CD2-CG1 3.67Å; L177-Y187 HydrophobicContact CD2-CD1 3.52Å; L177-Y187 HydrophobicContact CD2-CE1 3.5Å; L177-Y187 HydrophobicContact CD2-CG 4.3Å; L177-Y187 HydrophobicContact CG-CD1 4.48Å; L177-F210 HydrophobicContact CB-CE2 4.01Å; L177-F210 HydrophobicContact CB-CZ 4.14Å; L177-F210 HydrophobicContact CD1-CD1 4.12Å; L177-F210 HydrophobicContact CD1-CD2 4.19Å; L177-F210 HydrophobicContact CD1-CE1 3.58Å; L177-F210 HydrophobicContact CD1-CE2 3.64Å; L177-F210 HydrophobicContact CD1-CG 4.42Å; L177-F210 HydrophobicContact CD1-CZ 3.33Å; L177-F210 HydrophobicContact CG-CE1 4.15Å; L177-F210 HydrophobicContact CG-CE2 3.85Å; L177-F210 HydrophobicContact CG-CZ 3.48Å; L177-F210 VanDerWaalsContact CG-CZ 3.48Å; L177-F217 HydrophobicContact CD1-CB 3.73Å; L177-F217 HydrophobicContact CD1-CD1 3.66Å; L177-F217 HydrophobicContact CD1-CD2 3.68Å; L177-F217 HydrophobicContact CD1-CE1 4.1Å; L177-F217 HydrophobicContact CD1-CE2 4.12Å; L177-F217 HydrophobicContact CD1-CG 3.41Å; L177-F217 VanDerWaalsContact CD1-CG 3.41Å; L177-F217 HydrophobicContact CD1-CZ 4.3Å; L177-F217 HydrophobicContact CD2-CE1 4.32Å; L177-F217 HydrophobicContact CD2-CE2 4.38Å; L177-F217 HydrophobicContact CD2-CZ 4.15Å
178	T	98.4	Very high	97.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.4	171.6	66	0	0	0	0	111.3	F143 H160 A166 M167 M176 V185 K186 W188	F143-T178 HydrophobicContact CE1-CG2 4.24Å; F143-T178 HydrophobicContact CE2-CG2 4.2Å; F143-T178 HydrophobicContact CZ-CG2 3.51Å; H160-T178 PolarHBondContact NE2-OG1 3.26Å; A166-T178 VanDerWaalsContact O-CA 3.31Å; A166-T178 WeakPolarHBondContact O-CA 3.11Å; M167-T178 HydrophobicContact CB-CG2 4.3Å; M167-T178 HydrophobicContact CE-CG2 4.01Å; M167-T178 HydrophobicContact CG-CG2 3.98Å; M176-T178 HydrophobicContact CE-CG2 3.98Å; M176-T178 HydrophobicContact CG-CG2 4.04Å; M176-T178 HydrophobicContact SD-CG2 4.22Å; T178-V185 CarbonylContact O-C 3.59Å; T178-V185 WeakPolarHBondContact O-CA 3.35Å; T178-K186 PolarHBondContact N-O 2.99Å; T178-K186 VanDerWaalsContact N-O 3.09Å; T178-K186 PolarHBondContact O-N 3.15Å; T178-W188 PolarHBondContact OG1-NE1 3.39Å
179	A	98.3	Very high	97	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.3	178.1	0	0	0	0	0	111.6	R165 A166 Y184 V185 I205	R165-A179 PolarHBondContact N-O 2.85Å; A166-A179 HydrophobicContact CB-CB 3.94Å; A166-A179 PolarHBondContact N-O 3.49Å; A166-A179 VanDerWaalsContact N-O 3.09Å; A166-A179 PolarHBondContact O-N 2.77Å; A179-Y184 VanDerWaalsContact CA-O 3.3Å; A179-Y184 WeakPolarHBondContact CA-O 3.18Å; A179-V185 HydrophobicContact CB-CG2 4.07Å; A179-I205 HydrophobicContact CB-CB 3.81Å; A179-I205 HydrophobicContact CB-CD1 3.93Å; A179-I205 HydrophobicContact CB-CG1 4.49Å; A179-I205 HydrophobicContact CB-CG2 3.47Å; A179-I205 VanDerWaalsContact CB-CG2 3.47Å
180	D	97.8	Very high	96.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	177.5	-174.8	62.9	27.9	0	0	0	114.3	H160 P163 S182 G183 Y184 I205	H160-D180 HydrophobicContact CB-CB 4.09Å; H160-D180 IonicContact CE1-OD2 2.7Å; H160-D180 IonicContact CG-OD2 2.67Å; H160-D180 WeakPolarHBondContact ND1-CB 3.47Å; H160-D180 IonicContact ND1-OD2 2.68Å; H160-D180 PolarHBondContact ND1-OD2 3.03Å; P163-D180 CarbonylContact O-C 3.6Å; P163-D180 WeakPolarHBondContact O-CA 3.33Å; D180-S182 VanDerWaalsContact CG-OG 3.26Å; D180-S182 PolarHBondContact O-N 2.83Å; D180-S182 PolarHBondContact OD1-N 2.64Å; D180-S182 PolarHBondContact OD1-OG 3.26Å; D180-S182 PolarHBondContact OD2-OG 2.91Å; D180-G183 PolarHBondContact O-N 3.14Å; D180-G183 PolarHBondContact OD1-N 3.45Å; D180-Y184 PolarHBondContact N-O 2.79Å; D180-Y184 PolarHBondContact OD1-N 2.66Å; D180-I205 PolarHBondContact O-N 3.22Å; D180-I205 VanDerWaalsContact O-N 3.15Å
181	H	97.7	Very high	96.6	Very high	75 Å²	75	43.5 Å²	43.5	35%	0.347	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-10	178.1	-158.9	61	0	0	0	114.3	P163 R165 A204	P163-H181 HydrophobicContact CB-CB 4.08Å; P163-H181 HydrophobicContact CG-CB 4.18Å; P163-H181 PolarHBondContact O-N 3.03Å; R165-H181 HydrophobicContact CG-CB 4.12Å; R165-H181 PolarHBondContact NE-ND1 3.18Å; H181-A204 HydrophobicContact CB-CB 4.42Å; H181-A204 VanDerWaalsContact CE1-CB 3.46Å; H181-A204 WeakPolarHBondContact CE1-CB 3.49Å; H181-A204 WeakPolarHBondContact ND1-CB 3.4Å; H181-A204 VanDerWaalsContact O-CA 3.27Å; H181-A204 WeakPolarHBondContact O-CA 3.3Å; H181-A204 WeakPolarHBondContact O-CB 3.38Å
182	S	97.2	Very high	96.6	Very high	40 Å²	40	38.8 Å²	38.8	28%	0.28	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-2	175.8	50.3	0	0	0	0	113.4	S162 D180	S162-S182 WeakPolarHBondContact CB-OG 3.38Å; S162-S182 PolarHBondContact OG-OG 3.48Å; D180-S182 VanDerWaalsContact CG-OG 3.26Å; D180-S182 PolarHBondContact O-N 2.83Å; D180-S182 PolarHBondContact OD1-N 2.64Å; D180-S182 PolarHBondContact OD1-OG 3.26Å; D180-S182 PolarHBondContact OD2-OG 2.91Å
183	G	96.8	Very high	96.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	93.5	12.4	172.7	0	0	0	0	0	114.6	D180 A200 H201 E203 I205	D180-G183 PolarHBondContact O-N 3.14Å; D180-G183 PolarHBondContact OD1-N 3.45Å; G183-A200 PolarHBondContact O-N 2.95Å; G183-H201 PolarHBondContact O-N 3.42Å; G183-H201 VanDerWaalsContact O-N 3.09Å; G183-E203 WeakPolarHBondContact CA-O 3.42Å; G183-I205 WeakPolarHBondContact O-CD1 3.33Å
184	Y	98.1	Very high	96.9	Very high	79 Å²	79	38.5 Å²	38.5	31%	0.31	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	144	173.8	-70.8	-87.8	0	0	0	111.9	A179 D180 M197 F198 Q199	A179-Y184 VanDerWaalsContact CA-O 3.3Å; A179-Y184 WeakPolarHBondContact CA-O 3.18Å; D180-Y184 PolarHBondContact N-O 2.79Å; D180-Y184 PolarHBondContact OD1-N 2.66Å; Y184-M197 HydrophobicContact CD1-CE 3.5Å; Y184-M197 HydrophobicContact CE1-CE 3.78Å; Y184-M197 HydrophobicContact CG-CE 4.06Å; Y184-F198 WeakPolarHBondContact CA-O 3.44Å; Y184-Q199 HydrophobicContact CD1-CB 4.03Å; Y184-Q199 HydrophobicContact CE1-CB 3.77Å; Y184-Q199 HydrophobicContact CE1-CG 4.37Å
185	V	98.5	Very high	97	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.4	168.5	175.4	0	0	0	0	108.5	L177 T178 A179 M197 F198 A200 I205 F217 T219	L177-V185 HydrophobicContact CD2-CG1 3.67Å; T178-V185 CarbonylContact O-C 3.59Å; T178-V185 WeakPolarHBondContact O-CA 3.35Å; A179-V185 HydrophobicContact CB-CG2 4.07Å; V185-M197 WeakPolarHBondContact O-CA 3.49Å; V185-F198 HydrophobicContact CB-CD1 4.27Å; V185-F198 HydrophobicContact CB-CE1 3.6Å; V185-F198 HydrophobicContact CB-CE2 4.48Å; V185-F198 HydrophobicContact CB-CZ 3.72Å; V185-F198 HydrophobicContact CG1-CE1 3.67Å; V185-F198 HydrophobicContact CG1-CZ 3.98Å; V185-F198 HydrophobicContact CG2-CZ 4.2Å; V185-F198 PolarHBondContact N-O 3.1Å; V185-F198 PolarHBondContact O-N 2.79Å; V185-F198 VanDerWaalsContact O-N 3.09Å; V185-A200 HydrophobicContact CB-CB 4.4Å; V185-A200 HydrophobicContact CG2-CB 3.59Å; V185-I205 HydrophobicContact CG2-CD1 3.7Å; V185-F217 HydrophobicContact CG1-CE2 4.23Å; V185-F217 HydrophobicContact CG1-CZ 4.31Å; V185-T219 HydrophobicContact CG2-CG2 4.12Å
186	K	98.3	Very high	96.9	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.4	177.9	-59.4	-167.3	-178.7	-173.2	0	110.5	A159 T178 W188 K196 M197	A159-K186 VanDerWaalsContact O-CD 3.31Å; A159-K186 WeakPolarHBondContact O-CD 3.21Å; A159-K186 WeakPolarHBondContact O-CE 3.46Å; A159-K186 PolarHBondContact O-NZ 3.42Å; T178-K186 PolarHBondContact N-O 2.99Å; T178-K186 VanDerWaalsContact N-O 3.09Å; T178-K186 PolarHBondContact O-N 3.15Å; K186-W188 HydrophobicContact CB-CZ2 4.49Å; K186-W188 HydrophobicContact CD-CZ2 4.23Å; K186-K196 WeakPolarHBondContact CA-O 3.46Å; K186-M197 HydrophobicContact CD-CB 4.3Å; K186-M197 HydrophobicContact CG-CB 3.75Å
187	Y	98.1	Very high	96.8	Very high	7 Å²	7	42 Å²	42	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	175.3	-59.4	-90.2	0	0	0	109.9	L177 V195 K196 F198 F217 F231 C234	L177-Y187 HydrophobicContact CD2-CD1 3.52Å; L177-Y187 HydrophobicContact CD2-CE1 3.5Å; L177-Y187 HydrophobicContact CD2-CG 4.3Å; L177-Y187 HydrophobicContact CG-CD1 4.48Å; Y187-V195 PolarHBondContact O-N 3.16Å; Y187-K196 HydrophobicContact CD2-CB 3.95Å; Y187-K196 HydrophobicContact CD2-CG 4.48Å; Y187-K196 WeakPolarHBondContact CD2-O 3.39Å; Y187-K196 PolarHBondContact N-O 2.82Å; Y187-F198 AromaticContact CE2-CD1 3.69Å; Y187-F198 HydrophobicContact CE2-CD1 3.69Å; Y187-F198 AromaticContact CE2-CE1 3.49Å; Y187-F198 HydrophobicContact CE2-CE1 3.49Å; Y187-F198 VanDerWaalsContact CE2-CE1 3.49Å; Y187-F198 AromaticContact CZ-CE1 3.71Å; Y187-F198 WeakPolarHBondContact OH-CE1 3.44Å; Y187-F217 HydrophobicContact CE1-CE1 4.03Å; Y187-F217 HydrophobicContact CE1-CZ 4.37Å; Y187-F217 WeakPolarHBondContact OH-CE1 3.47Å; Y187-F217 WeakPolarHBondContact OH-CZ 3.38Å; Y187-F231 HydrophobicContact CD1-CD2 4.16Å; Y187-F231 AromaticContact CD1-CE2 3.46Å; Y187-F231 HydrophobicContact CD1-CE2 3.46Å; Y187-F231 VanDerWaalsContact CD1-CE2 3.46Å; Y187-F231 AromaticContact CD1-CZ 3.73Å; Y187-F231 HydrophobicContact CD1-CZ 3.73Å; Y187-F231 AromaticContact CE1-CD2 3.61Å; Y187-F231 HydrophobicContact CE1-CD2 3.61Å; Y187-F231 AromaticContact CE1-CE2 3.41Å; Y187-F231 HydrophobicContact CE1-CE2 3.41Å; Y187-F231 VanDerWaalsContact CE1-CE2 3.41Å; Y187-F231 HydrophobicContact CE1-CG 4.32Å; Y187-F231 AromaticContact CE1-CZ 3.95Å; Y187-F231 HydrophobicContact CE1-CZ 3.95Å; Y187-F231 PolarHBondContact OH-O 2.86Å; Y187-C234 HydrophobicContact CE2-CB 4.44Å; Y187-C234 WeakPolarHBondContact CE2-SG 3.49Å; Y187-C234 PolarHBondContact OH-SG 3.14Å; Y187-C234 VanDerWaalsContact OH-SG 3.33Å
188	W	98.1	Very high	96.8	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.045	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.7	180	-59.2	85.7	0	0	0	111	F143 A159 W175 M176 T178 K186 M192 N193 N194	F143-W188 AromaticContact CE2-CD2 3.86Å; F143-W188 HydrophobicContact CE2-CD2 3.86Å; F143-W188 AromaticContact CE2-CE2 3.5Å; F143-W188 HydrophobicContact CE2-CE3 4.33Å; F143-W188 HydrophobicContact CE2-CG 4.34Å; F143-W188 HydrophobicContact CE2-CH2 4.19Å; F143-W188 AromaticContact CE2-CZ2 3.71Å; F143-W188 HydrophobicContact CE2-CZ2 3.71Å; F143-W188 HydrophobicContact CE2-CZ3 4.46Å; F143-W188 AromaticContact CE2-NE1 3.73Å; F143-W188 AromaticContact CZ-CE2 3.91Å; F143-W188 HydrophobicContact CZ-CZ2 4.07Å; F143-W188 AromaticContact CZ-NE1 3.78Å; A159-W188 HydrophobicContact CB-CH2 3.78Å; A159-W188 HydrophobicContact CB-CZ2 3.58Å; W175-W188 CarbonylContact C-O 3.16Å; W175-W188 WeakPolarHBondContact CA-O 3.26Å; M176-W188 HydrophobicContact CB-CB 4.16Å; M176-W188 HydrophobicContact CE-CB 3.8Å; M176-W188 HydrophobicContact CE-CG 3.86Å; M176-W188 PolarHBondContact N-O 2.88Å; M176-W188 PolarHBondContact O-N 3.38Å; T178-W188 PolarHBondContact OG1-NE1 3.39Å; K186-W188 HydrophobicContact CB-CZ2 4.49Å; K186-W188 HydrophobicContact CD-CZ2 4.23Å; W188-M192 VanDerWaalsContact CE3-O 3.3Å; W188-M192 VanDerWaalsContact CZ3-O 3.3Å; W188-M192 WeakPolarHBondContact CZ3-O 3.25Å; W188-N193 WeakPolarHBondContact CA-O 3.39Å; W188-N194 HydrophobicContact CD2-CB 4.37Å; W188-N194 HydrophobicContact CE3-CB 3.98Å; W188-N194 HydrophobicContact CH2-CB 3.78Å; W188-N194 HydrophobicContact CZ2-CB 4.16Å; W188-N194 HydrophobicContact CZ3-CB 3.69Å
189	Q	96.6	Very high	96.8	Very high	65 Å²	65	48.3 Å²	48.3	30%	0.304	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	165	167.4	-77.6	173.3	-8.9	0	0	110.9	W175 N191 M192 N193 V195	W175-Q189 HydrophobicContact CE3-CG 4.4Å; W175-Q189 HydrophobicContact CH2-CG 4.36Å; W175-Q189 HydrophobicContact CZ3-CG 3.99Å; Q189-N191 WeakPolarHBondContact CB-OD1 3.25Å; Q189-N191 PolarHBondContact O-N 2.98Å; Q189-N191 VanDerWaalsContact O-N 3.12Å; Q189-N191 PolarHBondContact OE1-ND2 2.83Å; Q189-M192 WeakPolarHBondContact O-CA 3.4Å; Q189-M192 PolarHBondContact O-N 3.18Å; Q189-N193 PolarHBondContact N-O 3.38Å; Q189-V195 HydrophobicContact CG-CG2 3.73Å
190	S	93.1	Very high	96.7	Very high	74 Å²	74	48.3 Å²	48.3	52%	0.517	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.2	176.3	59.1	0	0	0	0	114.5	M192	S190-M192 PolarHBondContact O-N 2.8Å
191	N	93.7	Very high	96.7	Very high	99 Å²	99	48.4 Å²	48.4	53%	0.529	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2.2	172.9	63.2	12.5	0	0	0	114.3	Q189 N193	Q189-N191 WeakPolarHBondContact CB-OD1 3.25Å; Q189-N191 PolarHBondContact O-N 2.98Å; Q189-N191 VanDerWaalsContact O-N 3.12Å; Q189-N191 PolarHBondContact OE1-ND2 2.83Å; N191-N193 VanDerWaalsContact C-N 3.34Å; N191-N193 WeakPolarHBondContact OD1-CB 3.43Å; N191-N193 PolarHBondContact OD1-N 2.91Å
192	M	94.8	Very high	96.7	Very high	14 Å²	14	53.4 Å²	53.4	7%	0.069	27%	0.268	C	S	.	.			trans	63.4	28.3	-172.8	-52.8	-67.3	146.4	0	0	115.2	T128 V135 L145 L157 W169 M176 W188 Q189 S190	T128-M192 HydrophobicContact CG2-CE 4.35Å; V135-M192 HydrophobicContact CG2-CE 3.73Å; V135-M192 HydrophobicContact CG2-SD 4.31Å; L145-M192 HydrophobicContact CD1-CG 4.43Å; L145-M192 HydrophobicContact CD2-CG 3.77Å; L157-M192 HydrophobicContact CD1-CB 3.49Å; L157-M192 VanDerWaalsContact CD1-CB 3.49Å; L157-M192 HydrophobicContact CD1-CG 4.17Å; W169-M192 HydrophobicContact CH2-CE 3.73Å; W169-M192 HydrophobicContact CZ2-CE 3.74Å; M176-M192 HydrophobicContact CE-CE 4.38Å; M176-M192 HydrophobicContact CE-SD 3.75Å; W188-M192 VanDerWaalsContact CE3-O 3.3Å; W188-M192 VanDerWaalsContact CZ3-O 3.3Å; W188-M192 WeakPolarHBondContact CZ3-O 3.25Å; Q189-M192 WeakPolarHBondContact O-CA 3.4Å; Q189-M192 PolarHBondContact O-N 3.18Å; S190-M192 PolarHBondContact O-N 2.8Å
193	N	95.9	Very high	96.7	Very high	89 Å²	89	56.1 Å²	56.1	48%	0.476	28%	0.276	S	S	.	.			trans	-81.7	134	167.5	-170.8	23.2	0	0	0	111	W188 Q189 N191	W188-N193 WeakPolarHBondContact CA-O 3.39Å; Q189-N193 PolarHBondContact N-O 3.38Å; N191-N193 VanDerWaalsContact C-N 3.34Å; N191-N193 WeakPolarHBondContact OD1-CB 3.43Å; N191-N193 PolarHBondContact OD1-N 2.91Å
194	N	96.5	Very high	96.7	Very high	59 Å²	59	56.4 Å²	56.4	32%	0.316	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.6	173	177.6	6.5	0	0	0	109.2	W188 K196	W188-N194 HydrophobicContact CD2-CB 4.37Å; W188-N194 HydrophobicContact CE3-CB 3.98Å; W188-N194 HydrophobicContact CH2-CB 3.78Å; W188-N194 HydrophobicContact CZ2-CB 4.16Å; W188-N194 HydrophobicContact CZ3-CB 3.69Å; N194-K196 PolarHBondContact OD1-N 3.21Å; N194-K196 PolarHBondContact OD1-O 2.86Å
195	V	96.3	Very high	96.7	Very high	71 Å²	71	52.7 Å²	52.7	43%	0.43	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-40.9	-175.9	176.8	0	0	0	0	112.2	W175 Y187 Q189	W175-V195 HydrophobicContact CH2-CB 4.36Å; W175-V195 HydrophobicContact CH2-CG1 4.14Å; W175-V195 HydrophobicContact CH2-CG2 4.12Å; W175-V195 HydrophobicContact CZ3-CB 3.95Å; W175-V195 HydrophobicContact CZ3-CG1 4.21Å; W175-V195 HydrophobicContact CZ3-CG2 3.71Å; Y187-V195 PolarHBondContact O-N 3.16Å; Q189-V195 HydrophobicContact CG-CG2 3.73Å
196	K	94.9	Very high	96.7	Very high	94 Å²	94	55.4 Å²	55.4	41%	0.409	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	147.8	-175.9	-173.6	169.7	176.2	-170.9	0	110.1	K186 Y187 N194 C234	K186-K196 WeakPolarHBondContact CA-O 3.46Å; Y187-K196 HydrophobicContact CD2-CB 3.95Å; Y187-K196 HydrophobicContact CD2-CG 4.48Å; Y187-K196 WeakPolarHBondContact CD2-O 3.39Å; Y187-K196 PolarHBondContact N-O 2.82Å; N194-K196 PolarHBondContact OD1-N 3.21Å; N194-K196 PolarHBondContact OD1-O 2.86Å; K196-C234 WeakPolarHBondContact CE-SG 3.33Å; K196-C234 PolarHBondContact NZ-SG 3.09Å
197	M	96.2	Very high	96.7	Very high	85 Å²	85	55.3 Å²	55.3	42%	0.419	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150	170.2	66.8	-179.5	-78.5	0	0	110.6	Y184 V185 K186	Y184-M197 HydrophobicContact CD1-CE 3.5Å; Y184-M197 HydrophobicContact CE1-CE 3.78Å; Y184-M197 HydrophobicContact CG-CE 4.06Å; V185-M197 WeakPolarHBondContact O-CA 3.49Å; K186-M197 HydrophobicContact CD-CB 4.3Å; K186-M197 HydrophobicContact CG-CB 3.75Å
198	F	97.7	Very high	96.7	Very high	29 Å²	29	55.1 Å²	55.1	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.3	173	70.7	-77.2	0	0	0	110	Y184 V185 Y187 A200 F217 W229 C234	Y184-F198 WeakPolarHBondContact CA-O 3.44Å; V185-F198 HydrophobicContact CB-CD1 4.27Å; V185-F198 HydrophobicContact CB-CE1 3.6Å; V185-F198 HydrophobicContact CB-CE2 4.48Å; V185-F198 HydrophobicContact CB-CZ 3.72Å; V185-F198 HydrophobicContact CG1-CE1 3.67Å; V185-F198 HydrophobicContact CG1-CZ 3.98Å; V185-F198 HydrophobicContact CG2-CZ 4.2Å; V185-F198 PolarHBondContact N-O 3.1Å; V185-F198 PolarHBondContact O-N 2.79Å; V185-F198 VanDerWaalsContact O-N 3.09Å; Y187-F198 AromaticContact CE2-CD1 3.69Å; Y187-F198 HydrophobicContact CE2-CD1 3.69Å; Y187-F198 AromaticContact CE2-CE1 3.49Å; Y187-F198 HydrophobicContact CE2-CE1 3.49Å; Y187-F198 VanDerWaalsContact CE2-CE1 3.49Å; Y187-F198 AromaticContact CZ-CE1 3.71Å; Y187-F198 WeakPolarHBondContact OH-CE1 3.44Å; F198-A200 HydrophobicContact CD2-CB 4.25Å; F198-A200 HydrophobicContact CE2-CB 3.56Å; F198-A200 HydrophobicContact CZ-CB 4.12Å; F198-A200 PolarHBondContact O-N 3.48Å; F198-F217 HydrophobicContact CE1-CZ 4.22Å; F198-F217 HydrophobicContact CZ-CE2 4.36Å; F198-F217 AromaticContact CZ-CZ 3.84Å; F198-F217 HydrophobicContact CZ-CZ 3.84Å; F198-W229 HydrophobicContact CD2-CE3 4.31Å; F198-W229 HydrophobicContact CD2-CH2 4.33Å; F198-W229 AromaticContact CD2-CZ3 3.95Å; F198-W229 HydrophobicContact CD2-CZ3 3.95Å; F198-W229 AromaticContact CE2-CD2 3.77Å; F198-W229 HydrophobicContact CE2-CD2 3.77Å; F198-W229 AromaticContact CE2-CE3 3.41Å; F198-W229 HydrophobicContact CE2-CE3 3.41Å; F198-W229 VanDerWaalsContact CE2-CE3 3.41Å; F198-W229 AromaticContact CE2-CH2 3.79Å; F198-W229 HydrophobicContact CE2-CH2 3.79Å; F198-W229 HydrophobicContact CE2-CZ2 4.1Å; F198-W229 AromaticContact CE2-CZ3 3.41Å; F198-W229 HydrophobicContact CE2-CZ3 3.41Å; F198-W229 VanDerWaalsContact CE2-CZ3 3.41Å; F198-W229 HydrophobicContact CZ-CD2 4.03Å; F198-W229 AromaticContact CZ-CE3 3.95Å; F198-W229 HydrophobicContact CZ-CE3 3.95Å; F198-W229 HydrophobicContact CZ-CG 4.45Å; F198-W229 HydrophobicContact CZ-CZ3 4.38Å; F198-C234 HydrophobicContact CD1-CB 4.08Å; F198-C234 HydrophobicContact CE1-CB 4.34Å; F198-C234 HydrophobicContact CG-CB 4.31Å
199	Q	97.5	Very high	96.7	Very high	106 Å²	106	55 Å²	55	50%	0.495	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112	174.7	-169.6	173.1	22.3	0	0	108.8	Y184 H201	Y184-Q199 HydrophobicContact CD1-CB 4.03Å; Y184-Q199 HydrophobicContact CE1-CB 3.77Å; Y184-Q199 HydrophobicContact CE1-CG 4.37Å; Q199-H201 VanDerWaalsContact CG-O 3.26Å; Q199-H201 WeakPolarHBondContact CG-O 3.4Å; Q199-H201 PolarHBondContact NE2-O 2.65Å
200	A	97.6	Very high	96.7	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	26%	0.261	C	S	.	.			trans	-91.2	-38.7	-179.5	0	0	0	0	0	111.7	G183 V185 F198 I205 R227 W229	G183-A200 PolarHBondContact O-N 2.95Å; V185-A200 HydrophobicContact CB-CB 4.4Å; V185-A200 HydrophobicContact CG2-CB 3.59Å; F198-A200 HydrophobicContact CD2-CB 4.25Å; F198-A200 HydrophobicContact CE2-CB 3.56Å; F198-A200 HydrophobicContact CZ-CB 4.12Å; F198-A200 PolarHBondContact O-N 3.48Å; A200-I205 HydrophobicContact CB-CD1 3.97Å; A200-R227 PolarHBondContact O-NH1 3.25Å; A200-W229 VanDerWaalsContact CA-CZ2 3.48Å; A200-W229 HydrophobicContact CB-CH2 4.14Å; A200-W229 HydrophobicContact CB-CZ2 3.53Å; A200-W229 VanDerWaalsContact O-CZ2 3.31Å; A200-W229 WeakPolarHBondContact O-CZ2 3.46Å
201	H	97.8	Very high	96.9	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	24%	0.24	C	C	.	.			trans	-130	162.3	178.1	-71.3	-103.4	0	0	0	111.2	G183 Q199 E203 I205 T219 S221 D223 T225 R227	G183-H201 PolarHBondContact O-N 3.42Å; G183-H201 VanDerWaalsContact O-N 3.09Å; Q199-H201 VanDerWaalsContact CG-O 3.26Å; Q199-H201 WeakPolarHBondContact CG-O 3.4Å; Q199-H201 PolarHBondContact NE2-O 2.65Å; H201-E203 WeakPolarHBondContact CB-O 3.28Å; H201-I205 HydrophobicContact CB-CD1 4.41Å; H201-I205 HydrophobicContact CB-CG1 4Å; H201-T219 PolarHBondContact CD2-OG1 2.8Å; H201-T219 PolarHBondContact NE2-OG1 3.46Å; H201-S221 VanDerWaalsContact CE1-CB 3.48Å; H201-S221 WeakPolarHBondContact CE1-CB 3.41Å; H201-S221 WeakPolarHBondContact ND1-CB 3.43Å; H201-D223 IonicContact CE1-OD1 2.71Å; H201-D223 IonicContact CE1-OD2 3.68Å; H201-D223 IonicContact CG-OD2 3.79Å; H201-D223 IonicContact ND1-OD1 3.87Å; H201-D223 PolarHBondContact ND1-OD1 3.07Å; H201-D223 IonicContact ND1-OD2 3.83Å; H201-D223 PolarHBondContact ND1-OD2 3.28Å; H201-T225 PolarHBondContact CE1-OG1 3.1Å; H201-R227 VanDerWaalsContact CE1-CD 3.42Å; H201-R227 WeakPolarHBondContact CE1-CD 3.3Å; H201-R227 PolarHBondContact CE1-NE 3.08Å; H201-R227 PolarHBondContact ND1-NE 2.96Å
202	K	96.1	Very high	96.9	Very high	180 Å²	180	46.6 Å²	46.6	78%	0.783	23%	0.229	S	C	*	.	S	Bend	trans	-87.1	-20.5	173.2	-66.2	-174.1	178.3	-176.1	0	112.5
203	E	97.4	Very high	96.8	Very high	98 Å²	98	50 Å²	50	46%	0.458	25%	0.251	S	S	.	.	S	Bend	trans	-117	175.4	177	-60.3	-170.1	-171.3	0	0	110.1	G183 H201 I205 S221 D222 D223	G183-E203 WeakPolarHBondContact CA-O 3.42Å; H201-E203 WeakPolarHBondContact CB-O 3.28Å; E203-I205 PolarHBondContact O-N 3.04Å; E203-S221 PolarHBondContact O-OG 2.97Å; E203-D222 HydrophobicContact CB-CB 4.31Å; E203-D222 VanDerWaalsContact OE2-C 3.24Å; E203-D223 HydrophobicContact CB-CB 4.2Å; E203-D223 HydrophobicContact CG-CB 4.17Å; E203-D223 PolarHBondContact OE2-N 2.78Å
204	A	97.7	Very high	96.8	Very high	6 Å²	6	46.4 Å²	46.4	5%	0.05	23%	0.232	C	C	.	.			trans	-54.2	130.9	-178.3	0	0	0	0	0	112.7	H181 S221 D222	H181-A204 HydrophobicContact CB-CB 4.42Å; H181-A204 VanDerWaalsContact CE1-CB 3.46Å; H181-A204 WeakPolarHBondContact CE1-CB 3.49Å; H181-A204 WeakPolarHBondContact ND1-CB 3.4Å; H181-A204 VanDerWaalsContact O-CA 3.27Å; H181-A204 WeakPolarHBondContact O-CA 3.3Å; H181-A204 WeakPolarHBondContact O-CB 3.38Å; A204-S221 WeakPolarHBondContact O-CA 3.5Å; A204-S221 VanDerWaalsContact O-CB 3.32Å; A204-S221 WeakPolarHBondContact O-CB 3.36Å; A204-S221 PolarHBondContact O-OG 2.9Å; A204-D222 PolarHBondContact O-N 3.22Å
205	I	98.4	Very high	96.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	145.4	167.1	-64.4	161.8	0	0	0	107.5	R165 A179 D180 G183 V185 A200 H201 E203 C220	R165-I205 WeakPolarHBondContact CB-O 3.22Å; R165-I205 WeakPolarHBondContact CG-O 3.01Å; A179-I205 HydrophobicContact CB-CB 3.81Å; A179-I205 HydrophobicContact CB-CD1 3.93Å; A179-I205 HydrophobicContact CB-CG1 4.49Å; A179-I205 HydrophobicContact CB-CG2 3.47Å; A179-I205 VanDerWaalsContact CB-CG2 3.47Å; D180-I205 PolarHBondContact O-N 3.22Å; D180-I205 VanDerWaalsContact O-N 3.15Å; G183-I205 WeakPolarHBondContact O-CD1 3.33Å; V185-I205 HydrophobicContact CG2-CD1 3.7Å; A200-I205 HydrophobicContact CB-CD1 3.97Å; H201-I205 HydrophobicContact CB-CD1 4.41Å; H201-I205 HydrophobicContact CB-CG1 4Å; E203-I205 PolarHBondContact O-N 3.04Å; I205-C220 CarbonylContact C-O 3.52Å; I205-C220 WeakPolarHBondContact CA-O 3.49Å; I205-C220 WeakPolarHBondContact CG2-O 2.98Å
206	R	97.9	Very high	96.8	Very high	59 Å²	59	46.8 Å²	46.8	22%	0.223	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-41.6	-174.8	-64.5	-62.6	-173.1	170.5	-4.3	113.5	C220 D222 K248	R206-C220 PolarHBondContact N-O 2.87Å; R206-D222 WeakPolarHBondContact CG-OD1 3.21Å; R206-D222 IonicContact CZ-OD1 3.36Å; R206-D222 IonicContact CZ-OD2 2.88Å; R206-D222 VanDerWaalsContact CZ-OD2 3.25Å; R206-D222 VanDerWaalsContact NE-CG 3.3Å; R206-D222 IonicContact NE-OD1 2.66Å; R206-D222 PolarHBondContact NE-OD1 3.2Å; R206-D222 IonicContact NE-OD2 3.67Å; R206-D222 PolarHBondContact NE-OD2 2.86Å; R206-D222 IonicContact NH2-OD1 3.25Å; R206-D222 IonicContact NH2-OD2 3.81Å; R206-D222 PolarHBondContact NH2-OD2 2.76Å; R206-K248 WeakPolarHBondContact CB-O 3.35Å; R206-K248 HydrophobicContact CG-CD 4.1Å
207	E	98.2	Very high	96.9	Very high	11 Å²	11	42.3 Å²	42.3	5%	0.051	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.5	172.8	-175.4	63.4	160.4	0	0	109.9	R126 C220 V250 K295	R126-E207 IonicContact NH2-OE1 3.85Å; R126-E207 PolarHBondContact NH2-OE1 2.83Å; E207-C220 PolarHBondContact O-N 3.25Å; E207-C220 VanDerWaalsContact O-N 3.13Å; E207-V250 HydrophobicContact CB-CG1 4.18Å; E207-V250 HydrophobicContact CG-CG1 4.29Å; E207-V250 WeakPolarHBondContact CG-O 3.42Å; E207-V250 WeakPolarHBondContact O-CG1 3.11Å; E207-K295 IonicContact OE1-NZ 2.82Å; E207-K295 PolarHBondContact OE1-NZ 2.96Å
208	A	98.1	Very high	97	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.4	172.1	0	0	0	0	0	110.2	A166 T168 A218 T219	A166-A208 HydrophobicContact CB-CB 4.01Å; T168-A208 HydrophobicContact CG2-CB 4.43Å; T168-A208 WeakPolarHBondContact CG2-O 3.38Å; A208-A218 VanDerWaalsContact CA-O 3.26Å; A208-A218 WeakPolarHBondContact CA-O 3.38Å; A208-T219 HydrophobicContact CB-CG2 4.14Å
209	S	98	Very high	97.1	Very high	10 Å²	10	36.9 Å²	36.9	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.5	-179.8	-173.4	0	0	0	0	111.5	F217 A218 D251 W252	S209-F217 CarbonylContact O-C 3.58Å; S209-F217 WeakPolarHBondContact O-CA 3.4Å; S209-F217 WeakPolarHBondContact O-CB 3.42Å; S209-A218 PolarHBondContact N-O 3.07Å; S209-A218 PolarHBondContact O-N 2.89Å; S209-D251 WeakPolarHBondContact CB-OD1 3.36Å; S209-D251 PolarHBondContact OG-OD1 3.08Å; S209-W252 PolarHBondContact OG-N 2.72Å; S209-W252 VanDerWaalsContact OG-N 3.14Å
210	F	97.4	Very high	97.1	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143	-176.1	-86.5	-80.5	0	0	0	111.9	T168 W169 S170 L177 D214 F217 F231 W252	T168-F210 HydrophobicContact CG2-CD2 3.72Å; T168-F210 HydrophobicContact CG2-CE2 3.87Å; W169-F210 VanDerWaalsContact O-CD2 3.26Å; W169-F210 WeakPolarHBondContact O-CD2 3.21Å; S170-F210 VanDerWaalsContact N-CE2 3.26Å; L177-F210 HydrophobicContact CB-CE2 4.01Å; L177-F210 HydrophobicContact CB-CZ 4.14Å; L177-F210 HydrophobicContact CD1-CD1 4.12Å; L177-F210 HydrophobicContact CD1-CD2 4.19Å; L177-F210 HydrophobicContact CD1-CE1 3.58Å; L177-F210 HydrophobicContact CD1-CE2 3.64Å; L177-F210 HydrophobicContact CD1-CG 4.42Å; L177-F210 HydrophobicContact CD1-CZ 3.33Å; L177-F210 HydrophobicContact CG-CE1 4.15Å; L177-F210 HydrophobicContact CG-CE2 3.85Å; L177-F210 HydrophobicContact CG-CZ 3.48Å; L177-F210 VanDerWaalsContact CG-CZ 3.48Å; F210-D214 HydrophobicContact CD1-CB 4.41Å; F210-F217 HydrophobicContact CD1-CB 4.23Å; F210-F231 AromaticContact CE1-CD2 3.7Å; F210-F231 HydrophobicContact CE1-CD2 3.7Å; F210-F231 AromaticContact CE1-CE2 3.71Å; F210-F231 HydrophobicContact CE1-CE2 3.71Å; F210-F231 HydrophobicContact CZ-CD2 4.41Å; F210-F231 HydrophobicContact CZ-CE2 4Å; F210-W252 VanDerWaalsContact O-CB 3.25Å; F210-W252 WeakPolarHBondContact O-CB 3.04Å
211	S	96.4	Very high	97.1	Very high	11 Å²	11	31.8 Å²	31.8	8%	0.077	16%	0.159	C	C	.	.			trans	-59.7	146.5	160	174.2	0	0	0	0	109.9	T213 D214 K216	S211-T213 PolarHBondContact O-N 3.14Å; S211-T213 PolarHBondContact OG-OG1 2.89Å; S211-D214 PolarHBondContact O-N 3Å; S211-K216 WeakPolarHBondContact CB-O 3.44Å; S211-K216 PolarHBondContact N-O 3.01Å
212	P	94.4	Very high	97.1	Very high	45 Å²	45	32.9 Å²	32.9	29%	0.292	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	4.8	178.1	28.7	-37.9	0	0	0	115.1	P254	P212-P254 WeakPolarHBondContact CB-O 3.35Å
213	T	93.1	Very high	97.1	Very high	85 Å²	85	26.2 Å²	26.2	52%	0.521	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	2.6	171.5	58.9	0	0	0	0	112.9	S211 N215	S211-T213 PolarHBondContact O-N 3.14Å; S211-T213 PolarHBondContact OG-OG1 2.89Å; T213-N215 PolarHBondContact O-N 2.99Å; T213-N215 PolarHBondContact O-ND2 2.88Å; T213-N215 VanDerWaalsContact O-ND2 3.11Å
214	D	95.1	Very high	97	Very high	14 Å²	14	22.1 Å²	22.1	8%	0.075	12%	0.122	C	C	.	.	S	Bend	trans	56	-12.3	-172.8	-61.7	-31.5	0	0	0	116.7	H171 N172 F210 S211 K216 F231	H171-D214 IonicContact CE1-OD1 2.62Å; H171-D214 IonicContact CG-OD1 2.63Å; H171-D214 PolarHBondContact N-OD1 3.21Å; H171-D214 PolarHBondContact N-OD2 2.91Å; H171-D214 IonicContact ND1-OD1 2.67Å; H171-D214 PolarHBondContact ND1-OD1 3.38Å; N172-D214 PolarHBondContact N-OD2 3.23Å; N172-D214 VanDerWaalsContact N-OD2 3.1Å; N172-D214 PolarHBondContact ND2-OD2 2.93Å; F210-D214 HydrophobicContact CD1-CB 4.41Å; S211-D214 PolarHBondContact O-N 3Å; D214-K216 PolarHBondContact O-N 2.82Å; D214-K216 VanDerWaalsContact O-N 3.13Å; D214-F231 WeakPolarHBondContact O-CB 3.42Å; D214-F231 WeakPolarHBondContact O-CG 3.43Å
215	N	95.8	Very high	97	Very high	86 Å²	86	22 Å²	22	46%	0.46	12%	0.121	S	C	.	.	S	Bend	trans	-65.1	-15.8	179.4	-65.2	-58.8	0	0	0	114.7	T213 F231	T213-N215 PolarHBondContact O-N 2.99Å; T213-N215 PolarHBondContact O-ND2 2.88Å; T213-N215 VanDerWaalsContact O-ND2 3.11Å; N215-F231 VanDerWaalsContact O-CB 3.31Å; N215-F231 WeakPolarHBondContact O-CB 3.31Å; N215-F231 PolarHBondContact O-N 2.82Å
216	K	97	Very high	97	Very high	53 Å²	53	22 Å²	22	23%	0.23	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157	-179.1	-59.8	-173	-176.2	-167.7	0	110.4	S211 D214 I228 W229 E237 W252	S211-K216 WeakPolarHBondContact CB-O 3.44Å; S211-K216 PolarHBondContact N-O 3.01Å; D214-K216 PolarHBondContact O-N 2.82Å; D214-K216 VanDerWaalsContact O-N 3.13Å; K216-I228 HydrophobicContact CD-CG2 4.42Å; K216-W229 WeakPolarHBondContact CA-O 2.95Å; K216-W229 WeakPolarHBondContact CB-O 3.05Å; K216-E237 VanDerWaalsContact CD-OE2 3.29Å; K216-E237 WeakPolarHBondContact CD-OE2 3.46Å; K216-E237 WeakPolarHBondContact CE-OE2 3.35Å; K216-E237 IonicContact NZ-OE1 3.73Å; K216-E237 PolarHBondContact NZ-OE1 2.91Å; K216-E237 IonicContact NZ-OE2 3.82Å; K216-E237 PolarHBondContact NZ-OE2 2.83Å; K216-W252 HydrophobicContact CB-CH2 4.09Å; K216-W252 HydrophobicContact CB-CZ3 4.49Å
217	F	97.9	Very high	97	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.1	170.2	60.5	-84.2	0	0	0	110.5	L177 V185 Y187 F198 S209 F210 T219 W229 F231	L177-F217 HydrophobicContact CD1-CB 3.73Å; L177-F217 HydrophobicContact CD1-CD1 3.66Å; L177-F217 HydrophobicContact CD1-CD2 3.68Å; L177-F217 HydrophobicContact CD1-CE1 4.1Å; L177-F217 HydrophobicContact CD1-CE2 4.12Å; L177-F217 HydrophobicContact CD1-CG 3.41Å; L177-F217 VanDerWaalsContact CD1-CG 3.41Å; L177-F217 HydrophobicContact CD1-CZ 4.3Å; L177-F217 HydrophobicContact CD2-CE1 4.32Å; L177-F217 HydrophobicContact CD2-CE2 4.38Å; L177-F217 HydrophobicContact CD2-CZ 4.15Å; V185-F217 HydrophobicContact CG1-CE2 4.23Å; V185-F217 HydrophobicContact CG1-CZ 4.31Å; Y187-F217 HydrophobicContact CE1-CE1 4.03Å; Y187-F217 HydrophobicContact CE1-CZ 4.37Å; Y187-F217 WeakPolarHBondContact OH-CE1 3.47Å; Y187-F217 WeakPolarHBondContact OH-CZ 3.38Å; F198-F217 HydrophobicContact CE1-CZ 4.22Å; F198-F217 HydrophobicContact CZ-CE2 4.36Å; F198-F217 AromaticContact CZ-CZ 3.84Å; F198-F217 HydrophobicContact CZ-CZ 3.84Å; S209-F217 CarbonylContact O-C 3.58Å; S209-F217 WeakPolarHBondContact O-CA 3.4Å; S209-F217 WeakPolarHBondContact O-CB 3.42Å; F210-F217 HydrophobicContact CD1-CB 4.23Å; F217-T219 HydrophobicContact CD2-CG2 3.89Å; F217-T219 HydrophobicContact CE2-CG2 3.8Å; F217-W229 HydrophobicContact CD1-CB 4.03Å; F217-W229 HydrophobicContact CD2-CB 4.09Å; F217-W229 HydrophobicContact CD2-CG 4.34Å; F217-W229 HydrophobicContact CE1-CB 3.6Å; F217-W229 HydrophobicContact CE1-CG 4.47Å; F217-W229 HydrophobicContact CE2-CB 3.67Å; F217-W229 AromaticContact CE2-CD1 3.62Å; F217-W229 AromaticContact CE2-CG 3.73Å; F217-W229 HydrophobicContact CE2-CG 3.73Å; F217-W229 HydrophobicContact CG-CB 4.27Å; F217-W229 HydrophobicContact CZ-CB 3.41Å; F217-W229 VanDerWaalsContact CZ-CB 3.41Å; F217-W229 AromaticContact CZ-CG 3.82Å; F217-W229 HydrophobicContact CZ-CG 3.82Å; F217-W229 PolarHBondContact N-O 3.19Å; F217-W229 VanDerWaalsContact N-O 3.15Å; F217-W229 PolarHBondContact O-N 2.83Å; F217-F231 HydrophobicContact CD1-CB 4.39Å; F217-F231 HydrophobicContact CD1-CD2 4.09Å; F217-F231 HydrophobicContact CE1-CD2 4.19Å
218	A	98.3	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.9	173.1	0	0	0	0	0	110.2	A208 S209 V226 R227 V250 W252 V259	A208-A218 VanDerWaalsContact CA-O 3.26Å; A208-A218 WeakPolarHBondContact CA-O 3.38Å; S209-A218 PolarHBondContact N-O 3.07Å; S209-A218 PolarHBondContact O-N 2.89Å; A218-V226 HydrophobicContact CB-CG1 4.2Å; A218-R227 CarbonylContact C-O 3.57Å; A218-R227 VanDerWaalsContact CA-O 3.29Å; A218-R227 WeakPolarHBondContact CA-O 3.41Å; A218-V250 HydrophobicContact CB-CG2 3.84Å; A218-W252 HydrophobicContact CB-CE3 3.81Å; A218-W252 HydrophobicContact CB-CZ3 3.9Å; A218-V259 HydrophobicContact CB-CG1 4.13Å
219	T	98.4	Very high	97	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.4	170.5	56.3	0	0	0	0	109.7	V185 H201 A208 F217 V226 R227 W229	V185-T219 HydrophobicContact CG2-CG2 4.12Å; H201-T219 PolarHBondContact CD2-OG1 2.8Å; H201-T219 PolarHBondContact NE2-OG1 3.46Å; A208-T219 HydrophobicContact CB-CG2 4.14Å; F217-T219 HydrophobicContact CD2-CG2 3.89Å; F217-T219 HydrophobicContact CE2-CG2 3.8Å; T219-V226 CarbonylContact O-C 3.57Å; T219-V226 VanDerWaalsContact O-CA 3.3Å; T219-V226 WeakPolarHBondContact O-CA 3.49Å; T219-V226 WeakPolarHBondContact O-CG1 3.36Å; T219-R227 PolarHBondContact N-O 2.73Å; T219-R227 PolarHBondContact O-N 2.85Å; T219-W229 PolarHBondContact OG1-NE1 3.43Å
220	C	97.9	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.3	171.5	71.2	0	0	0	0	111.7	I205 R206 E207 V226 V247 V250	I205-C220 CarbonylContact C-O 3.52Å; I205-C220 WeakPolarHBondContact CA-O 3.49Å; I205-C220 WeakPolarHBondContact CG2-O 2.98Å; R206-C220 PolarHBondContact N-O 2.87Å; E207-C220 PolarHBondContact O-N 3.25Å; E207-C220 VanDerWaalsContact O-N 3.13Å; C220-V226 HydrophobicContact CB-CG2 3.93Å; C220-V247 HydrophobicContact CB-CB 3.94Å; C220-V247 HydrophobicContact CB-CG1 3.58Å; C220-V250 HydrophobicContact CB-CB 3.91Å; C220-V250 HydrophobicContact CB-CG1 4.03Å
221	S	97.9	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.8	-172.4	180	0	0	0	0	112.9	H201 E203 A204 D223 G224 T225 V247	H201-S221 VanDerWaalsContact CE1-CB 3.48Å; H201-S221 WeakPolarHBondContact CE1-CB 3.41Å; H201-S221 WeakPolarHBondContact ND1-CB 3.43Å; E203-S221 PolarHBondContact O-OG 2.97Å; A204-S221 WeakPolarHBondContact O-CA 3.5Å; A204-S221 VanDerWaalsContact O-CB 3.32Å; A204-S221 WeakPolarHBondContact O-CB 3.36Å; A204-S221 PolarHBondContact O-OG 2.9Å; S221-D223 WeakPolarHBondContact CB-OD1 3.4Å; S221-D223 PolarHBondContact O-N 3.04Å; S221-D223 PolarHBondContact OG-N 2.93Å; S221-G224 PolarHBondContact O-N 3.41Å; S221-T225 PolarHBondContact N-O 2.86Å; S221-V247 PolarHBondContact O-N 3.35Å
222	D	97.6	Very high	96.9	Very high	25 Å²	25	27.3 Å²	27.3	13%	0.134	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.1	168.8	-69.7	-11.6	0	0	0	112.7	E203 A204 R206 G224 D246 K248	E203-D222 HydrophobicContact CB-CB 4.31Å; E203-D222 VanDerWaalsContact OE2-C 3.24Å; A204-D222 PolarHBondContact O-N 3.22Å; R206-D222 WeakPolarHBondContact CG-OD1 3.21Å; R206-D222 IonicContact CZ-OD1 3.36Å; R206-D222 IonicContact CZ-OD2 2.88Å; R206-D222 VanDerWaalsContact CZ-OD2 3.25Å; R206-D222 VanDerWaalsContact NE-CG 3.3Å; R206-D222 IonicContact NE-OD1 2.66Å; R206-D222 PolarHBondContact NE-OD1 3.2Å; R206-D222 IonicContact NE-OD2 3.67Å; R206-D222 PolarHBondContact NE-OD2 2.86Å; R206-D222 IonicContact NH2-OD1 3.25Å; R206-D222 IonicContact NH2-OD2 3.81Å; R206-D222 PolarHBondContact NH2-OD2 2.76Å; D222-G224 PolarHBondContact O-N 2.75Å; D222-D246 HydrophobicContact CB-CB 4.46Å; D222-K248 IonicContact OD1-NZ 2.68Å; D222-K248 PolarHBondContact OD1-NZ 3.35Å; D222-K248 IonicContact OD2-NZ 2.67Å
223	D	95.9	Very high	96.9	Very high	41 Å²	41	33.4 Å²	33.4	22%	0.219	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	4.4	174.4	77.8	4.3	0	0	0	115.1	H201 E203 S221 T225 R227	H201-D223 IonicContact CE1-OD1 2.71Å; H201-D223 IonicContact CE1-OD2 3.68Å; H201-D223 IonicContact CG-OD2 3.79Å; H201-D223 IonicContact ND1-OD1 3.87Å; H201-D223 PolarHBondContact ND1-OD1 3.07Å; H201-D223 IonicContact ND1-OD2 3.83Å; H201-D223 PolarHBondContact ND1-OD2 3.28Å; E203-D223 HydrophobicContact CB-CB 4.2Å; E203-D223 HydrophobicContact CG-CB 4.17Å; E203-D223 PolarHBondContact OE2-N 2.78Å; S221-D223 WeakPolarHBondContact CB-OD1 3.4Å; S221-D223 PolarHBondContact O-N 3.04Å; S221-D223 PolarHBondContact OG-N 2.93Å; D223-T225 VanDerWaalsContact CG-OG1 3.29Å; D223-T225 PolarHBondContact O-N 3.47Å; D223-T225 WeakPolarHBondContact OD1-CA 3.32Å; D223-T225 VanDerWaalsContact OD1-CB 3.32Å; D223-T225 WeakPolarHBondContact OD1-CB 3.38Å; D223-T225 PolarHBondContact OD1-N 3.16Å; D223-T225 PolarHBondContact OD1-OG1 3.23Å; D223-T225 PolarHBondContact OD2-OG1 3.48Å; D223-R227 IonicContact OD2-CZ 3.66Å; D223-R227 IonicContact OD2-NE 3.57Å; D223-R227 IonicContact OD2-NH2 2.73Å; D223-R227 PolarHBondContact OD2-NH2 3.03Å
224	G	95.6	Very high	97	Very high	11 Å²	11	30.3 Å²	30.3	11%	0.113	15%	0.146	C	C	.	.	S	Bend	trans	74.3	6	179.4	0	0	0	0	0	114.3	S221 D222	S221-G224 PolarHBondContact O-N 3.41Å; D222-G224 PolarHBondContact O-N 2.75Å
225	T	97.1	Very high	97	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	17%	0.166	C	C	.	.			trans	-110	150.8	-179.9	74.5	0	0	0	0	112.8	H201 S221 D223 R227 I239 R241	H201-T225 PolarHBondContact CE1-OG1 3.1Å; S221-T225 PolarHBondContact N-O 2.86Å; D223-T225 VanDerWaalsContact CG-OG1 3.29Å; D223-T225 PolarHBondContact O-N 3.47Å; D223-T225 WeakPolarHBondContact OD1-CA 3.32Å; D223-T225 VanDerWaalsContact OD1-CB 3.32Å; D223-T225 WeakPolarHBondContact OD1-CB 3.38Å; D223-T225 PolarHBondContact OD1-N 3.16Å; D223-T225 PolarHBondContact OD1-OG1 3.23Å; D223-T225 PolarHBondContact OD2-OG1 3.48Å; T225-R227 PolarHBondContact OG1-NE 3.38Å; T225-I239 HydrophobicContact CG2-CG2 3.84Å; T225-R241 HydrophobicContact CG2-CG 4.34Å
226	V	98.3	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.4	161.3	-175.5	0	0	0	0	107.1	A218 T219 C220 L240 V247 V250 V259	A218-V226 HydrophobicContact CB-CG1 4.2Å; T219-V226 CarbonylContact O-C 3.57Å; T219-V226 VanDerWaalsContact O-CA 3.3Å; T219-V226 WeakPolarHBondContact O-CA 3.49Å; T219-V226 WeakPolarHBondContact O-CG1 3.36Å; C220-V226 HydrophobicContact CB-CG2 3.93Å; V226-L240 HydrophobicContact CB-CB 4.12Å; V226-L240 HydrophobicContact CB-CD1 3.96Å; V226-L240 HydrophobicContact CB-CG 4.47Å; V226-L240 HydrophobicContact CG1-CD1 3.94Å; V226-L240 PolarHBondContact N-O 2.88Å; V226-L240 WeakPolarHBondContact O-CA 3.28Å; V226-L240 VanDerWaalsContact O-CB 3.24Å; V226-L240 WeakPolarHBondContact O-CB 3.23Å; V226-L240 WeakPolarHBondContact O-CG 3.09Å; V226-L240 PolarHBondContact O-N 2.81Å; V226-V247 HydrophobicContact CG2-CB 4.44Å; V226-V247 HydrophobicContact CG2-CG1 3.87Å; V226-V247 HydrophobicContact CG2-CG2 4.38Å; V226-V250 HydrophobicContact CG1-CG2 3.81Å; V226-V259 HydrophobicContact CG1-CG1 4.5Å
227	R	98.2	Very high	97	Very high	32 Å²	32	34 Å²	34	12%	0.121	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.7	-178.8	-64.1	179.9	-165.9	-164.4	24.9	110.2	A200 H201 A218 T219 D223 T225 W229 E236 R238 I239	A200-R227 PolarHBondContact O-NH1 3.25Å; H201-R227 VanDerWaalsContact CE1-CD 3.42Å; H201-R227 WeakPolarHBondContact CE1-CD 3.3Å; H201-R227 PolarHBondContact CE1-NE 3.08Å; H201-R227 PolarHBondContact ND1-NE 2.96Å; A218-R227 CarbonylContact C-O 3.57Å; A218-R227 VanDerWaalsContact CA-O 3.29Å; A218-R227 WeakPolarHBondContact CA-O 3.41Å; T219-R227 PolarHBondContact N-O 2.73Å; T219-R227 PolarHBondContact O-N 2.85Å; D223-R227 IonicContact OD2-CZ 3.66Å; D223-R227 IonicContact OD2-NE 3.57Å; D223-R227 IonicContact OD2-NH2 2.73Å; D223-R227 PolarHBondContact OD2-NH2 3.03Å; T225-R227 PolarHBondContact OG1-NE 3.38Å; R227-W229 HydrophobicContact CB-CZ2 4.14Å; R227-E236 WeakPolarHBondContact CD-OE2 3.25Å; R227-E236 IonicContact CZ-OE2 3.24Å; R227-E236 IonicContact NE-OE2 3.49Å; R227-E236 IonicContact NH1-OE2 2.93Å; R227-E236 PolarHBondContact NH1-OE2 2.74Å; R227-R238 WeakPolarHBondContact CA-O 3.23Å; R227-I239 HydrophobicContact CG-CG1 4.4Å; R227-I239 HydrophobicContact CG-CG2 4.19Å
228	I	98.3	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.9	177.4	-64	166.9	0	0	0	108.2	K216 E237 R238 L240 W252 P275	K216-I228 HydrophobicContact CD-CG2 4.42Å; I228-E237 HydrophobicContact CG2-CB 4.47Å; I228-E237 PolarHBondContact O-N 3.01Å; I228-R238 PolarHBondContact N-O 3.43Å; I228-R238 PolarHBondContact O-N 3.22Å; I228-L240 HydrophobicContact CD1-CD1 3.94Å; I228-L240 HydrophobicContact CD1-CD2 4.18Å; I228-L240 HydrophobicContact CD1-CG 4.24Å; I228-L240 HydrophobicContact CG1-CD1 4.25Å; I228-W252 HydrophobicContact CG1-CZ3 4.42Å; I228-W252 HydrophobicContact CG2-CH2 4.05Å; I228-W252 HydrophobicContact CG2-CZ3 4.26Å; I228-P275 VanDerWaalsContact CD1-CA 3.4Å; I228-P275 HydrophobicContact CD1-CB 3.53Å
229	W	98.1	Very high	96.9	Very high	11 Å²	11	41.2 Å²	41.2	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.9	-174.4	-62.1	91.7	0	0	0	111	F198 A200 K216 F217 T219 R227 H235 E236	F198-W229 HydrophobicContact CD2-CE3 4.31Å; F198-W229 HydrophobicContact CD2-CH2 4.33Å; F198-W229 AromaticContact CD2-CZ3 3.95Å; F198-W229 HydrophobicContact CD2-CZ3 3.95Å; F198-W229 AromaticContact CE2-CD2 3.77Å; F198-W229 HydrophobicContact CE2-CD2 3.77Å; F198-W229 AromaticContact CE2-CE3 3.41Å; F198-W229 HydrophobicContact CE2-CE3 3.41Å; F198-W229 VanDerWaalsContact CE2-CE3 3.41Å; F198-W229 AromaticContact CE2-CH2 3.79Å; F198-W229 HydrophobicContact CE2-CH2 3.79Å; F198-W229 HydrophobicContact CE2-CZ2 4.1Å; F198-W229 AromaticContact CE2-CZ3 3.41Å; F198-W229 HydrophobicContact CE2-CZ3 3.41Å; F198-W229 VanDerWaalsContact CE2-CZ3 3.41Å; F198-W229 HydrophobicContact CZ-CD2 4.03Å; F198-W229 AromaticContact CZ-CE3 3.95Å; F198-W229 HydrophobicContact CZ-CE3 3.95Å; F198-W229 HydrophobicContact CZ-CG 4.45Å; F198-W229 HydrophobicContact CZ-CZ3 4.38Å; A200-W229 VanDerWaalsContact CA-CZ2 3.48Å; A200-W229 HydrophobicContact CB-CH2 4.14Å; A200-W229 HydrophobicContact CB-CZ2 3.53Å; A200-W229 VanDerWaalsContact O-CZ2 3.31Å; A200-W229 WeakPolarHBondContact O-CZ2 3.46Å; K216-W229 WeakPolarHBondContact CA-O 2.95Å; K216-W229 WeakPolarHBondContact CB-O 3.05Å; F217-W229 HydrophobicContact CD1-CB 4.03Å; F217-W229 HydrophobicContact CD2-CB 4.09Å; F217-W229 HydrophobicContact CD2-CG 4.34Å; F217-W229 HydrophobicContact CE1-CB 3.6Å; F217-W229 HydrophobicContact CE1-CG 4.47Å; F217-W229 HydrophobicContact CE2-CB 3.67Å; F217-W229 AromaticContact CE2-CD1 3.62Å; F217-W229 AromaticContact CE2-CG 3.73Å; F217-W229 HydrophobicContact CE2-CG 3.73Å; F217-W229 HydrophobicContact CG-CB 4.27Å; F217-W229 HydrophobicContact CZ-CB 3.41Å; F217-W229 VanDerWaalsContact CZ-CB 3.41Å; F217-W229 AromaticContact CZ-CG 3.82Å; F217-W229 HydrophobicContact CZ-CG 3.82Å; F217-W229 PolarHBondContact N-O 3.19Å; F217-W229 VanDerWaalsContact N-O 3.15Å; F217-W229 PolarHBondContact O-N 2.83Å; T219-W229 PolarHBondContact OG1-NE1 3.43Å; R227-W229 HydrophobicContact CB-CZ2 4.14Å; W229-H235 WeakPolarHBondContact CA-O 3.49Å; W229-H235 VanDerWaalsContact CE3-C 3.49Å; W229-E236 HydrophobicContact CE3-CB 4.07Å; W229-E236 HydrophobicContact CH2-CB 3.66Å; W229-E236 HydrophobicContact CH2-CG 3.94Å; W229-E236 HydrophobicContact CZ2-CB 4.3Å; W229-E236 HydrophobicContact CZ2-CG 4.13Å; W229-E236 HydrophobicContact CZ3-CB 3.54Å; W229-E236 HydrophobicContact CZ3-CG 4.26Å
230	D	97.3	Very high	96.9	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124	161.6	-176.7	-60.9	0	0	0	109.1	L232 R233 C234 H235	D230-L232 PolarHBondContact OD1-N 3.02Å; D230-R233 HydrophobicContact CB-CB 4.25Å; D230-R233 PolarHBondContact OD1-N 3.3Å; D230-R233 IonicContact OD1-NE 3.76Å; D230-R233 IonicContact OD2-CZ 3.16Å; D230-R233 IonicContact OD2-NE 2.8Å; D230-R233 PolarHBondContact OD2-NE 2.96Å; D230-R233 IonicContact OD2-NH2 2.68Å; D230-R233 PolarHBondContact OD2-NH2 3.03Å; D230-C234 VanDerWaalsContact O-CA 3.3Å; D230-C234 WeakPolarHBondContact O-CA 3.45Å; D230-C234 PolarHBondContact O-N 2.8Å; D230-H235 HydrophobicContact CB-CB 4.47Å; D230-H235 PolarHBondContact N-O 3.39Å
231	F	96.6	Very high	96.7	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.079	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-46.8	-175.4	-177.7	-91.1	0	0	0	112.9	W175 Y187 F210 D214 N215 F217	W175-F231 HydrophobicContact CB-CE2 4.28Å; W175-F231 HydrophobicContact CB-CZ 3.86Å; W175-F231 AromaticContact CD1-CE1 3.9Å; W175-F231 AromaticContact CD1-CZ 3.64Å; W175-F231 HydrophobicContact CD2-CE1 4.16Å; W175-F231 AromaticContact CD2-CZ 3.61Å; W175-F231 HydrophobicContact CD2-CZ 3.61Å; W175-F231 AromaticContact CE2-CE1 3.98Å; W175-F231 AromaticContact CE2-CZ 3.93Å; W175-F231 HydrophobicContact CE3-CZ 4.18Å; W175-F231 HydrophobicContact CG-CE1 4.12Å; W175-F231 HydrophobicContact CG-CE2 4.31Å; W175-F231 AromaticContact CG-CZ 3.43Å; W175-F231 HydrophobicContact CG-CZ 3.43Å; W175-F231 VanDerWaalsContact CG-CZ 3.43Å; W175-F231 AromaticContact NE1-CE1 3.83Å; W175-F231 AromaticContact NE1-CZ 3.94Å; Y187-F231 HydrophobicContact CD1-CD2 4.16Å; Y187-F231 AromaticContact CD1-CE2 3.46Å; Y187-F231 HydrophobicContact CD1-CE2 3.46Å; Y187-F231 VanDerWaalsContact CD1-CE2 3.46Å; Y187-F231 AromaticContact CD1-CZ 3.73Å; Y187-F231 HydrophobicContact CD1-CZ 3.73Å; Y187-F231 AromaticContact CE1-CD2 3.61Å; Y187-F231 HydrophobicContact CE1-CD2 3.61Å; Y187-F231 AromaticContact CE1-CE2 3.41Å; Y187-F231 HydrophobicContact CE1-CE2 3.41Å; Y187-F231 VanDerWaalsContact CE1-CE2 3.41Å; Y187-F231 HydrophobicContact CE1-CG 4.32Å; Y187-F231 AromaticContact CE1-CZ 3.95Å; Y187-F231 HydrophobicContact CE1-CZ 3.95Å; Y187-F231 PolarHBondContact OH-O 2.86Å; F210-F231 AromaticContact CE1-CD2 3.7Å; F210-F231 HydrophobicContact CE1-CD2 3.7Å; F210-F231 AromaticContact CE1-CE2 3.71Å; F210-F231 HydrophobicContact CE1-CE2 3.71Å; F210-F231 HydrophobicContact CZ-CD2 4.41Å; F210-F231 HydrophobicContact CZ-CE2 4Å; D214-F231 WeakPolarHBondContact O-CB 3.42Å; D214-F231 WeakPolarHBondContact O-CG 3.43Å; N215-F231 VanDerWaalsContact O-CB 3.31Å; N215-F231 WeakPolarHBondContact O-CB 3.31Å; N215-F231 PolarHBondContact O-N 2.82Å; F217-F231 HydrophobicContact CD1-CB 4.39Å; F217-F231 HydrophobicContact CD1-CD2 4.09Å; F217-F231 HydrophobicContact CE1-CD2 4.19Å
232	L	95.3	Very high	96.4	Very high	130 Å²	130	51.1 Å²	51.1	68%	0.681	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-39	-173.2	-63.5	173	0	0	0	111.8	D230	D230-L232 PolarHBondContact OD1-N 3.02Å
233	R	94.9	Very high	96.2	Very high	172 Å²	172	50.9 Å²	50.9	65%	0.649	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-19.6	-177.2	-66	-177.4	-78.2	174.9	-2.4	112.8	D230 H235	D230-R233 HydrophobicContact CB-CB 4.25Å; D230-R233 PolarHBondContact OD1-N 3.3Å; D230-R233 IonicContact OD1-NE 3.76Å; D230-R233 IonicContact OD2-CZ 3.16Å; D230-R233 IonicContact OD2-NE 2.8Å; D230-R233 PolarHBondContact OD2-NE 2.96Å; D230-R233 IonicContact OD2-NH2 2.68Å; D230-R233 PolarHBondContact OD2-NH2 3.03Å; R233-H235 HydrophobicContact CB-CB 3.95Å; R233-H235 PolarHBondContact O-N 3.15Å
234	C	95.5	Very high	96	Very high	21 Å²	21	52 Å²	52	14%	0.142	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.7	-168.2	-44.1	0	0	0	0	111.4	Y187 K196 F198 D230	Y187-C234 HydrophobicContact CE2-CB 4.44Å; Y187-C234 WeakPolarHBondContact CE2-SG 3.49Å; Y187-C234 PolarHBondContact OH-SG 3.14Å; Y187-C234 VanDerWaalsContact OH-SG 3.33Å; K196-C234 WeakPolarHBondContact CE-SG 3.33Å; K196-C234 PolarHBondContact NZ-SG 3.09Å; F198-C234 HydrophobicContact CD1-CB 4.08Å; F198-C234 HydrophobicContact CE1-CB 4.34Å; F198-C234 HydrophobicContact CG-CB 4.31Å; D230-C234 VanDerWaalsContact O-CA 3.3Å; D230-C234 WeakPolarHBondContact O-CA 3.45Å; D230-C234 PolarHBondContact O-N 2.8Å
235	H	96.2	Very high	96	Very high	108 Å²	108	52.9 Å²	52.9	50%	0.5	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.8	-175.5	-179.7	63.5	0	0	0	109.8	W229 D230 R233 E237	W229-H235 WeakPolarHBondContact CA-O 3.49Å; W229-H235 VanDerWaalsContact CE3-C 3.49Å; D230-H235 HydrophobicContact CB-CB 4.47Å; D230-H235 PolarHBondContact N-O 3.39Å; R233-H235 HydrophobicContact CB-CB 3.95Å; R233-H235 PolarHBondContact O-N 3.15Å; H235-E237 PolarHBondContact O-N 2.95Å
236	E	96.9	Very high	95.9	Very high	62 Å²	62	54.3 Å²	54.3	29%	0.29	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	105.5	173.4	-167.1	-176.3	93.7	0	0	108.3	R227 W229 I239	R227-E236 WeakPolarHBondContact CD-OE2 3.25Å; R227-E236 IonicContact CZ-OE2 3.24Å; R227-E236 IonicContact NE-OE2 3.49Å; R227-E236 IonicContact NH1-OE2 2.93Å; R227-E236 PolarHBondContact NH1-OE2 2.74Å; W229-E236 HydrophobicContact CE3-CB 4.07Å; W229-E236 HydrophobicContact CH2-CB 3.66Å; W229-E236 HydrophobicContact CH2-CG 3.94Å; W229-E236 HydrophobicContact CZ2-CB 4.3Å; W229-E236 HydrophobicContact CZ2-CG 4.13Å; W229-E236 HydrophobicContact CZ3-CB 3.54Å; W229-E236 HydrophobicContact CZ3-CG 4.26Å; E236-I239 HydrophobicContact CG-CG1 4.39Å; E236-I239 VanDerWaalsContact OE1-CD1 3.26Å; E236-I239 WeakPolarHBondContact OE1-CD1 3.38Å; E236-I239 WeakPolarHBondContact OE1-CG1 3.32Å
237	E	96.1	Very high	95.9	Very high	59 Å²	59	54.3 Å²	54.3	28%	0.276	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-43.3	-179.2	-169.6	-174.5	166.8	0	0	110.9	K216 I228 H235	K216-E237 VanDerWaalsContact CD-OE2 3.29Å; K216-E237 WeakPolarHBondContact CD-OE2 3.46Å; K216-E237 WeakPolarHBondContact CE-OE2 3.35Å; K216-E237 IonicContact NZ-OE1 3.73Å; K216-E237 PolarHBondContact NZ-OE1 2.91Å; K216-E237 IonicContact NZ-OE2 3.82Å; K216-E237 PolarHBondContact NZ-OE2 2.83Å; I228-E237 HydrophobicContact CG2-CB 4.47Å; I228-E237 PolarHBondContact O-N 3.01Å; H235-E237 PolarHBondContact O-N 2.95Å
238	R	96	Very high	95.9	Very high	98 Å²	98	54.5 Å²	54.5	37%	0.37	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145.6	-179.4	-60.4	-164.4	-177.5	-67	3.9	112.6	R227 I228 K276	R227-R238 WeakPolarHBondContact CA-O 3.23Å; I228-R238 PolarHBondContact N-O 3.43Å; I228-R238 PolarHBondContact O-N 3.22Å; R238-K276 PolarHBondContact NE-O 3.02Å; R238-K276 PolarHBondContact NH2-O 3.37Å
239	I	97.4	Very high	95.8	Very high	55 Å²	55	54.6 Å²	54.6	28%	0.282	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.7	163.8	-46.5	177.3	0	0	0	108.6	T225 R227 E236 R241	T225-I239 HydrophobicContact CG2-CG2 3.84Å; R227-I239 HydrophobicContact CG-CG1 4.4Å; R227-I239 HydrophobicContact CG-CG2 4.19Å; E236-I239 HydrophobicContact CG-CG1 4.39Å; E236-I239 VanDerWaalsContact OE1-CD1 3.26Å; E236-I239 WeakPolarHBondContact OE1-CD1 3.38Å; E236-I239 WeakPolarHBondContact OE1-CG1 3.32Å; I239-R241 HydrophobicContact CB-CG 4.46Å; I239-R241 HydrophobicContact CG2-CG 3.73Å
240	L	97.1	Very high	95.8	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	107.2	172.2	-51.5	174.6	0	0	0	108.2	V226 I228 W273 G278	V226-L240 HydrophobicContact CB-CB 4.12Å; V226-L240 HydrophobicContact CB-CD1 3.96Å; V226-L240 HydrophobicContact CB-CG 4.47Å; V226-L240 HydrophobicContact CG1-CD1 3.94Å; V226-L240 PolarHBondContact N-O 2.88Å; V226-L240 WeakPolarHBondContact O-CA 3.28Å; V226-L240 VanDerWaalsContact O-CB 3.24Å; V226-L240 WeakPolarHBondContact O-CB 3.23Å; V226-L240 WeakPolarHBondContact O-CG 3.09Å; V226-L240 PolarHBondContact O-N 2.81Å; I228-L240 HydrophobicContact CD1-CD1 3.94Å; I228-L240 HydrophobicContact CD1-CD2 4.18Å; I228-L240 HydrophobicContact CD1-CG 4.24Å; I228-L240 HydrophobicContact CG1-CD1 4.25Å; L240-W273 HydrophobicContact CB-CD2 3.92Å; L240-W273 HydrophobicContact CB-CE3 3.83Å; L240-W273 HydrophobicContact CB-CH2 4.25Å; L240-W273 HydrophobicContact CB-CZ2 4.32Å; L240-W273 HydrophobicContact CB-CZ3 4Å; L240-W273 HydrophobicContact CD1-CB 3.74Å; L240-W273 HydrophobicContact CD1-CD2 3.98Å; L240-W273 HydrophobicContact CD1-CE3 4.44Å; L240-W273 HydrophobicContact CD1-CG 3.67Å; L240-W273 HydrophobicContact CD2-CB 4.37Å; L240-W273 HydrophobicContact CD2-CD2 4.38Å; L240-W273 HydrophobicContact CD2-CE3 4.02Å; L240-W273 HydrophobicContact CG-CD2 4.32Å; L240-W273 HydrophobicContact CG-CE3 4.31Å; L240-W273 HydrophobicContact CG-CG 4.47Å; L240-G278 VanDerWaalsContact CD2-CA 3.49Å
241	R	95.6	Very high	95.9	Very high	166 Å²	166	54 Å²	54	63%	0.626	28%	0.275	S	S	*	.			trans	-110.2	146.8	-179.4	-62.5	-173.5	178.2	-80.2	-2.4	110.6	T225 I239 W273	T225-R241 HydrophobicContact CG2-CG 4.34Å; I239-R241 HydrophobicContact CB-CG 4.46Å; I239-R241 HydrophobicContact CG2-CG 3.73Å; R241-W273 VanDerWaalsContact O-CH2 3.28Å; R241-W273 WeakPolarHBondContact O-CH2 3.14Å
242	G	90.8	Very high	95.9	Very high	41 Å²	41	53.9 Å²	53.9	42%	0.423	27%	0.274	S	S	.	.			trans	126	15	176.8	0	0	0	0	0	115.2	K271	G242-K271 PolarHBondContact O-NZ 2.84Å
243	H	94.3	Very high	96.1	Very high	19 Å²	19	47.7 Å²	47.7	9%	0.088	24%	0.241	C	C	.	.			trans	-82.3	145.1	151.8	-82.5	-64.2	0	0	0	109.1	V247 S261 S263 Q268 K271 W273	H243-V247 HydrophobicContact CB-CG2 3.93Å; H243-V247 WeakPolarHBondContact CD2-CG2 3.3Å; H243-S261 PolarHBondContact NE2-OG 3.11Å; H243-S263 WeakPolarHBondContact ND1-CB 3.39Å; H243-Q268 PolarHBondContact CE1-O 3.39Å; H243-Q268 PolarHBondContact ND1-O 2.87Å; H243-Q268 VanDerWaalsContact ND1-O 3.16Å; H243-K271 VanDerWaalsContact CE1-CG 3.42Å; H243-K271 WeakPolarHBondContact CE1-CG 3.36Å; H243-W273 AromaticContact CD2-CZ2 3.96Å
244	G	90.5	Very high	96.1	Very high	66 Å²	66	40.9 Å²	40.9	68%	0.68	22%	0.22	S	C	*	.	S	Bend	trans	-85.3	-11.6	179	0	0	0	0	0	114.8	D265	G244-D265 WeakPolarHBondContact CA-OD2 3.46Å; G244-D265 PolarHBondContact N-OD2 2.86Å; G244-D265 VanDerWaalsContact N-OD2 3.14Å
245	A	95.2	Very high	96	Very high	28 Å²	28	45 Å²	45	23%	0.231	24%	0.244	C	C	.	.	S	Bend	trans	-155	-178.4	-177.6	0	0	0	0	0	111.9	V247 S263 K264 D265	A245-V247 PolarHBondContact O-N 2.87Å; A245-S263 PolarHBondContact O-OG 2.86Å; A245-K264 HydrophobicContact CB-CB 4.46Å; A245-D265 HydrophobicContact CB-CB 4.01Å
246	D	96.4	Very high	95.9	Very high	35 Å²	35	44.1 Å²	44.1	19%	0.187	24%	0.239	C	C	.	.			trans	-39.7	130.7	-179.6	-29.8	15.4	0	0	0	113.3	D222 K248 S263 K264	D222-D246 HydrophobicContact CB-CB 4.46Å; D246-K248 HydrophobicContact CB-CD 4.22Å; D246-K248 VanDerWaalsContact CB-CE 3.49Å; D246-K248 WeakPolarHBondContact OD2-CE 3.47Å; D246-K248 IonicContact OD2-NZ 3.75Å; D246-K248 PolarHBondContact OD2-NZ 3.23Å; D246-S263 WeakPolarHBondContact O-CA 3.45Å; D246-S263 PolarHBondContact O-OG 2.88Å; D246-S263 VanDerWaalsContact O-OG 3.08Å; D246-K264 HydrophobicContact CB-CB 4.21Å; D246-K264 HydrophobicContact CB-CD 4.1Å; D246-K264 VanDerWaalsContact CG-CD 3.41Å; D246-K264 PolarHBondContact O-N 2.92Å; D246-K264 WeakPolarHBondContact OD1-CD 3.46Å; D246-K264 IonicContact OD1-NZ 3.69Å; D246-K264 PolarHBondContact OD1-NZ 3.44Å; D246-K264 WeakPolarHBondContact OD2-CD 3.38Å; D246-K264 IonicContact OD2-NZ 3.86Å; D246-K264 PolarHBondContact OD2-NZ 2.83Å
247	V	97.9	Very high	95.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	115.2	174.7	-171.5	0	0	0	0	109.7	C220 S221 V226 H243 A245 G262	C220-V247 HydrophobicContact CB-CB 3.94Å; C220-V247 HydrophobicContact CB-CG1 3.58Å; S221-V247 PolarHBondContact O-N 3.35Å; V226-V247 HydrophobicContact CG2-CB 4.44Å; V226-V247 HydrophobicContact CG2-CG1 3.87Å; V226-V247 HydrophobicContact CG2-CG2 4.38Å; H243-V247 HydrophobicContact CB-CG2 3.93Å; H243-V247 WeakPolarHBondContact CD2-CG2 3.3Å; A245-V247 PolarHBondContact O-N 2.87Å; V247-G262 WeakPolarHBondContact CG1-O 3.15Å
248	K	97.4	Very high	95.6	Very high	35 Å²	35	41.5 Å²	41.5	15%	0.152	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-23.9	-169.9	-59.2	-52.6	-175.8	-168.2	0	114.1	R206 D222 D246 G262 T290	R206-K248 WeakPolarHBondContact CB-O 3.35Å; R206-K248 HydrophobicContact CG-CD 4.1Å; D222-K248 IonicContact OD1-NZ 2.68Å; D222-K248 PolarHBondContact OD1-NZ 3.35Å; D222-K248 IonicContact OD2-NZ 2.67Å; D246-K248 HydrophobicContact CB-CD 4.22Å; D246-K248 VanDerWaalsContact CB-CE 3.49Å; D246-K248 WeakPolarHBondContact OD2-CE 3.47Å; D246-K248 IonicContact OD2-NZ 3.75Å; D246-K248 PolarHBondContact OD2-NZ 3.23Å; K248-G262 PolarHBondContact N-O 2.84Å; K248-T290 HydrophobicContact CG-CG2 4.08Å
249	C	97.2	Very high	95.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.8	177.5	49.6	0	0	0	0	111.9	S261 G262 M292 E293 V294	C249-S261 CarbonylContact O-C 3.48Å; C249-S261 VanDerWaalsContact O-CA 3.3Å; C249-S261 WeakPolarHBondContact O-CA 3.45Å; C249-G262 PolarHBondContact N-O 3.24Å; C249-G262 PolarHBondContact O-N 2.98Å; C249-G262 VanDerWaalsContact SG-CA 3.57Å; C249-M292 WeakPolarHBondContact CB-O 3.14Å; C249-M292 PolarHBondContact SG-O 2.85Å; C249-E293 VanDerWaalsContact SG-C 3.59Å; C249-E293 VanDerWaalsContact SG-CA 3.57Å; C249-V294 PolarHBondContact SG-N 2.98Å
250	V	98.3	Very high	95.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142	173.9	64.2	0	0	0	0	108.9	E207 A218 C220 V226 V259 V260	E207-V250 HydrophobicContact CB-CG1 4.18Å; E207-V250 HydrophobicContact CG-CG1 4.29Å; E207-V250 WeakPolarHBondContact CG-O 3.42Å; E207-V250 WeakPolarHBondContact O-CG1 3.11Å; A218-V250 HydrophobicContact CB-CG2 3.84Å; C220-V250 HydrophobicContact CB-CB 3.91Å; C220-V250 HydrophobicContact CB-CG1 4.03Å; V226-V250 HydrophobicContact CG1-CG2 3.81Å; V250-V259 HydrophobicContact CG2-CG1 3.46Å; V250-V259 VanDerWaalsContact CG2-CG1 3.46Å; V250-V260 CarbonylContact C-O 3.57Å; V250-V260 VanDerWaalsContact CA-O 3.28Å; V250-V260 WeakPolarHBondContact CA-O 3.39Å; V250-V260 WeakPolarHBondContact CG2-O 3.41Å
251	D	98.2	Very high	95.8	Very high	19 Å²	19	34.2 Å²	34.2	10%	0.102	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.8	171.5	-154.8	25.8	0	0	0	112.7	S209 V260 K295 W296	S209-D251 WeakPolarHBondContact CB-OD1 3.36Å; S209-D251 PolarHBondContact OG-OD1 3.08Å; D251-V260 PolarHBondContact N-O 3.41Å; D251-V260 PolarHBondContact O-N 3.34Å; D251-K295 WeakPolarHBondContact OD2-CA 3.32Å; D251-W296 PolarHBondContact O-NE1 3.01Å; D251-W296 PolarHBondContact OD2-N 3.49Å
252	W	97.9	Very high	95.9	Very high	14 Å²	14	26.3 Å²	26.3	5%	0.053	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.1	-179.6	-153.7	-62.4	0	0	0	109.6	S209 F210 K216 A218 I228 V259 P275 W296	S209-W252 PolarHBondContact OG-N 2.72Å; S209-W252 VanDerWaalsContact OG-N 3.14Å; F210-W252 VanDerWaalsContact O-CB 3.25Å; F210-W252 WeakPolarHBondContact O-CB 3.04Å; K216-W252 HydrophobicContact CB-CH2 4.09Å; K216-W252 HydrophobicContact CB-CZ3 4.49Å; A218-W252 HydrophobicContact CB-CE3 3.81Å; A218-W252 HydrophobicContact CB-CZ3 3.9Å; I228-W252 HydrophobicContact CG1-CZ3 4.42Å; I228-W252 HydrophobicContact CG2-CH2 4.05Å; I228-W252 HydrophobicContact CG2-CZ3 4.26Å; W252-V259 HydrophobicContact CD2-CG2 3.56Å; W252-V259 HydrophobicContact CE3-CG2 3.56Å; W252-V259 HydrophobicContact CG-CG2 4.11Å; W252-V259 HydrophobicContact CH2-CG2 4.17Å; W252-V259 HydrophobicContact CZ2-CG2 4.19Å; W252-V259 HydrophobicContact CZ3-CG2 3.86Å; W252-P275 HydrophobicContact CH2-CB 3.56Å; W252-P275 HydrophobicContact CH2-CG 4.16Å; W252-P275 HydrophobicContact CZ2-CB 3.51Å; W252-P275 HydrophobicContact CZ2-CG 3.57Å; W252-W296 VanDerWaalsContact C-CD1 3.44Å; W252-W296 VanDerWaalsContact O-CD1 3.28Å
253	H	97.8	Very high	96.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.158	C	C	.	.			trans	-69.5	136.4	-179	178.1	-62.3	0	0	0	111.4	T255 K256 L258 W296 G300	H253-T255 VanDerWaalsContact C-N 3.33Å; H253-T255 PolarHBondContact CE1-OG1 3.48Å; H253-T255 VanDerWaalsContact CE1-OG1 3.27Å; H253-T255 PolarHBondContact ND1-N 2.66Å; H253-T255 PolarHBondContact O-N 3.49Å; H253-T255 VanDerWaalsContact O-N 3.15Å; H253-K256 VanDerWaalsContact CE1-CG 3.49Å; H253-K256 WeakPolarHBondContact CE1-CG 3.19Å; H253-K256 PolarHBondContact CE1-N 3.45Å; H253-K256 WeakPolarHBondContact ND1-CB 3.48Å; H253-K256 PolarHBondContact ND1-N 3.41Å; H253-K256 WeakPolarHBondContact NE2-CD 3.33Å; H253-K256 PolarHBondContact NE2-NZ 3.04Å; H253-L258 HydrophobicContact CB-CB 3.83Å; H253-L258 HydrophobicContact CB-CG 4.48Å; H253-L258 WeakPolarHBondContact CB-O 3.48Å; H253-L258 PolarHBondContact N-O 3.42Å; H253-W296 HydrophobicContact CB-CD2 4.23Å; H253-W296 HydrophobicContact CB-CZ2 3.86Å; H253-W296 AromaticContact CD2-CE3 3.84Å; H253-W296 AromaticContact CD2-CH2 3.53Å; H253-W296 AromaticContact CD2-CZ2 3.76Å; H253-W296 AromaticContact CD2-CZ3 3.57Å; H253-G300 WeakPolarHBondContact NE2-CA 3.25Å; H253-G300 PolarHBondContact NE2-O 3Å
254	P	95.5	Very high	96.2	Very high	30 Å²	30	28.2 Å²	28.2	20%	0.195	18%	0.175	C	C	.	.	S	Bend	trans	-67.3	-17.5	-168.9	24.9	-36.5	0	0	0	116.7	P212	P212-P254 WeakPolarHBondContact CB-O 3.35Å
255	T	94.3	Very high	96.3	Very high	107 Å²	107	26.2 Å²	26.2	66%	0.656	15%	0.149	S	C	*	.	S	Bend	trans	-130.5	-46.6	174.8	61.7	0	0	0	0	114.7	H253	H253-T255 VanDerWaalsContact C-N 3.33Å; H253-T255 PolarHBondContact CE1-OG1 3.48Å; H253-T255 VanDerWaalsContact CE1-OG1 3.27Å; H253-T255 PolarHBondContact ND1-N 2.66Å; H253-T255 PolarHBondContact O-N 3.49Å; H253-T255 VanDerWaalsContact O-N 3.15Å
256	K	93.3	Very high	96.1	Very high	89 Å²	89	28.1 Å²	28.1	39%	0.387	16%	0.16	S	C	.	.	S	Bend	trans	-72.3	147.2	176.5	-55.2	168.5	-163.9	136.4	0	111.2	H253 L258 G300 I317	H253-K256 VanDerWaalsContact CE1-CG 3.49Å; H253-K256 WeakPolarHBondContact CE1-CG 3.19Å; H253-K256 PolarHBondContact CE1-N 3.45Å; H253-K256 WeakPolarHBondContact ND1-CB 3.48Å; H253-K256 PolarHBondContact ND1-N 3.41Å; H253-K256 WeakPolarHBondContact NE2-CD 3.33Å; H253-K256 PolarHBondContact NE2-NZ 3.04Å; K256-L258 VanDerWaalsContact C-N 3.31Å; K256-L258 HydrophobicContact CB-CB 4.43Å; K256-L258 PolarHBondContact O-N 2.86Å; K256-G300 PolarHBondContact NZ-O 2.78Å; K256-I317 HydrophobicContact CD-CD1 4.39Å
257	G	91.3	Very high	95.9	Very high	45 Å²	45	32.7 Å²	32.7	46%	0.464	18%	0.181	S	C	.	.	S	Bend	trans	-74.4	82.8	167.9	0	0	0	0	0	110.7	P275	G257-P275 VanDerWaalsContact O-CD 3.25Å; G257-P275 WeakPolarHBondContact O-CD 3.48Å
258	L	96.3	Very high	95.5	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.115	19%	0.192	C	C	.	.			trans	-147	131.5	-176	179.4	65.2	0	0	0	109.1	H253 K256 F272 L281 W296 I317	H253-L258 HydrophobicContact CB-CB 3.83Å; H253-L258 HydrophobicContact CB-CG 4.48Å; H253-L258 WeakPolarHBondContact CB-O 3.48Å; H253-L258 PolarHBondContact N-O 3.42Å; K256-L258 VanDerWaalsContact C-N 3.31Å; K256-L258 HydrophobicContact CB-CB 4.43Å; K256-L258 PolarHBondContact O-N 2.86Å; L258-F272 HydrophobicContact CD1-CB 4.17Å; L258-F272 HydrophobicContact CD1-CD1 4.09Å; L258-F272 HydrophobicContact CD2-CD1 4.08Å; L258-F272 HydrophobicContact CG-CD1 4.29Å; L258-L281 HydrophobicContact CD1-CD1 3.59Å; L258-W296 HydrophobicContact CD2-CH2 3.68Å; L258-W296 HydrophobicContact CD2-CZ2 3.64Å; L258-W296 HydrophobicContact CG-CZ2 4.08Å; L258-I317 HydrophobicContact CD2-CD1 4.38Å
259	V	98	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.8	176.2	178.6	0	0	0	0	109	A218 V226 V250 W252 F272 W273 P275	A218-V259 HydrophobicContact CB-CG1 4.13Å; V226-V259 HydrophobicContact CG1-CG1 4.5Å; V250-V259 HydrophobicContact CG2-CG1 3.46Å; V250-V259 VanDerWaalsContact CG2-CG1 3.46Å; W252-V259 HydrophobicContact CD2-CG2 3.56Å; W252-V259 HydrophobicContact CE3-CG2 3.56Å; W252-V259 HydrophobicContact CG-CG2 4.11Å; W252-V259 HydrophobicContact CH2-CG2 4.17Å; W252-V259 HydrophobicContact CZ2-CG2 4.19Å; W252-V259 HydrophobicContact CZ3-CG2 3.86Å; V259-F272 CarbonylContact O-C 3.57Å; V259-F272 WeakPolarHBondContact O-CA 3.49Å; V259-W273 HydrophobicContact CB-CB 4.39Å; V259-W273 PolarHBondContact N-O 3.04Å; V259-W273 PolarHBondContact O-N 3.05Å; V259-P275 HydrophobicContact CG2-CB 4.14Å; V259-P275 HydrophobicContact CG2-CG 4.37Å
260	V	97.9	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.8	173.4	-172	0	0	0	0	109.2	V250 D251 I270 K271 F272 V294 W296 L303	V250-V260 CarbonylContact C-O 3.57Å; V250-V260 VanDerWaalsContact CA-O 3.28Å; V250-V260 WeakPolarHBondContact CA-O 3.39Å; V250-V260 WeakPolarHBondContact CG2-O 3.41Å; D251-V260 PolarHBondContact N-O 3.41Å; D251-V260 PolarHBondContact O-N 3.34Å; V260-I270 HydrophobicContact CG1-CG2 3.54Å; V260-K271 WeakPolarHBondContact CA-O 3.36Å; V260-F272 HydrophobicContact CG2-CD1 3.51Å; V260-F272 HydrophobicContact CG2-CE1 3.51Å; V260-F272 HydrophobicContact CG2-CG 4.35Å; V260-F272 HydrophobicContact CG2-CZ 4.36Å; V260-V294 HydrophobicContact CB-CG1 4.28Å; V260-V294 HydrophobicContact CG1-CG1 3.8Å; V260-W296 HydrophobicContact CB-CZ2 4.49Å; V260-W296 HydrophobicContact CG2-CH2 4.16Å; V260-W296 HydrophobicContact CG2-CZ2 3.22Å; V260-L303 HydrophobicContact CB-CD1 4.36Å; V260-L303 HydrophobicContact CG1-CD1 4.26Å; V260-L303 HydrophobicContact CG1-CD2 4.04Å; V260-L303 HydrophobicContact CG2-CD1 4.12Å
261	S	97.9	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135.5	-179.6	53.7	0	0	0	0	110.6	H243 C249 I270 K271 W273	H243-S261 PolarHBondContact NE2-OG 3.11Å; C249-S261 CarbonylContact O-C 3.48Å; C249-S261 VanDerWaalsContact O-CA 3.3Å; C249-S261 WeakPolarHBondContact O-CA 3.45Å; S261-I270 WeakPolarHBondContact O-CA 3.1Å; S261-K271 PolarHBondContact N-O 2.83Å; S261-K271 PolarHBondContact O-N 3.03Å; S261-K271 PolarHBondContact OG-O 3.35Å; S261-K271 VanDerWaalsContact OG-O 3.07Å; S261-W273 PolarHBondContact OG-NE1 3.38Å
262	G	97.1	Very high	95.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.3	175.3	0	0	0	0	0	111.4	V247 K248 C249 P269	V247-G262 WeakPolarHBondContact CG1-O 3.15Å; K248-G262 PolarHBondContact N-O 2.84Å; C249-G262 PolarHBondContact N-O 3.24Å; C249-G262 PolarHBondContact O-N 2.98Å; C249-G262 VanDerWaalsContact SG-CA 3.57Å; G262-P269 CarbonylContact C-O 3.55Å; G262-P269 WeakPolarHBondContact CA-O 3.34Å
263	S	96.2	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	163.3	-174	-173.5	0	0	0	0	112.7	H243 A245 D246 D265 P269 V291	H243-S263 WeakPolarHBondContact ND1-CB 3.39Å; A245-S263 PolarHBondContact O-OG 2.86Å; D246-S263 WeakPolarHBondContact O-CA 3.45Å; D246-S263 PolarHBondContact O-OG 2.88Å; D246-S263 VanDerWaalsContact O-OG 3.08Å; S263-D265 VanDerWaalsContact C-N 3.32Å; S263-D265 WeakPolarHBondContact OG-CB 3.43Å; S263-D265 PolarHBondContact OG-N 2.91Å; S263-P269 PolarHBondContact N-O 2.98Å; S263-V291 PolarHBondContact O-N 2.81Å
264	K	96.1	Very high	95.2	Very high	100 Å²	100	34.3 Å²	34.3	44%	0.435	19%	0.189	S	C	.	.	S	Bend	trans	-75.1	-21.2	163.6	-179	-177.3	172.5	-164.3	0	112.9	A245 D246 T290	A245-K264 HydrophobicContact CB-CB 4.46Å; D246-K264 HydrophobicContact CB-CB 4.21Å; D246-K264 HydrophobicContact CB-CD 4.1Å; D246-K264 VanDerWaalsContact CG-CD 3.41Å; D246-K264 PolarHBondContact O-N 2.92Å; D246-K264 WeakPolarHBondContact OD1-CD 3.46Å; D246-K264 IonicContact OD1-NZ 3.69Å; D246-K264 PolarHBondContact OD1-NZ 3.44Å; D246-K264 WeakPolarHBondContact OD2-CD 3.38Å; D246-K264 IonicContact OD2-NZ 3.86Å; D246-K264 PolarHBondContact OD2-NZ 2.83Å; K264-T290 HydrophobicContact CB-CG2 4Å; K264-T290 HydrophobicContact CG-CG2 4.36Å; K264-T290 WeakPolarHBondContact CG-OG1 3.36Å
265	D	92.1	Very high	95.2	Very high	25 Å²	25	33 Å²	33	13%	0.134	18%	0.181	C	C	.	.			trans	-64	127.9	178.4	-174.7	4.3	0	0	0	111.4	G244 A245 S263 Q267 Q268 P269	G244-D265 WeakPolarHBondContact CA-OD2 3.46Å; G244-D265 PolarHBondContact N-OD2 2.86Å; G244-D265 VanDerWaalsContact N-OD2 3.14Å; A245-D265 HydrophobicContact CB-CB 4.01Å; S263-D265 VanDerWaalsContact C-N 3.32Å; S263-D265 WeakPolarHBondContact OG-CB 3.43Å; S263-D265 PolarHBondContact OG-N 2.91Å; D265-Q267 WeakPolarHBondContact OD1-CB 3.43Å; D265-Q267 PolarHBondContact OD1-N 3.17Å; D265-Q268 PolarHBondContact OD2-N 3.3Å; D265-P269 WeakPolarHBondContact O-CA 3.42Å; D265-P269 WeakPolarHBondContact O-CB 3.38Å
266	S	90.6	Very high	95.2	Very high	67 Å²	67	35.3 Å²	35.3	47%	0.469	18%	0.181	S	C	.	.	S	Bend	trans	-80	-20.3	175.4	63.7	0	0	0	0	113.1
267	Q	92.1	Very high	95.3	Very high	132 Å²	132	34.6 Å²	34.6	62%	0.617	19%	0.185	S	C	*	.	S	Bend	trans	-82.9	-29.4	176.7	-60.5	-54.5	-68.1	0	0	112.4	D265 H285	D265-Q267 WeakPolarHBondContact OD1-CB 3.43Å; D265-Q267 PolarHBondContact OD1-N 3.17Å; Q267-H285 PolarHBondContact O-CD2 3.27Å; Q267-H285 PolarHBondContact O-NE2 2.82Å
268	Q	91.2	Very high	95.4	Very high	52 Å²	52	33.3 Å²	33.3	24%	0.243	17%	0.172	C	C	.	.	S	Bend	trans	-134.5	60.2	178.7	-58.7	-70.4	-71	0	0	111.3	H243 D265 I270 K271 T283	H243-Q268 PolarHBondContact CE1-O 3.39Å; H243-Q268 PolarHBondContact ND1-O 2.87Å; H243-Q268 VanDerWaalsContact ND1-O 3.16Å; D265-Q268 PolarHBondContact OD2-N 3.3Å; Q268-I270 PolarHBondContact O-N 3.25Å; Q268-K271 HydrophobicContact CB-CD 4.11Å; Q268-K271 HydrophobicContact CB-CG 4.36Å; Q268-K271 VanDerWaalsContact OE1-CE 3.3Å; Q268-T283 HydrophobicContact CB-CG2 4.37Å; Q268-T283 PolarHBondContact OE1-OG1 3.14Å
269	P	93.8	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-68.1	-32.5	-167.8	26.4	-34.2	0	0	0	113.4	G262 S263 D265 V291	G262-P269 CarbonylContact C-O 3.55Å; G262-P269 WeakPolarHBondContact CA-O 3.34Å; S263-P269 PolarHBondContact N-O 2.98Å; D265-P269 WeakPolarHBondContact O-CA 3.42Å; D265-P269 WeakPolarHBondContact O-CB 3.38Å; P269-V291 HydrophobicContact CB-CG2 4.01Å
270	I	97.1	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.7	175	-56.2	-176.1	0	0	0	109.9	V260 S261 Q268 F272 T283 L284 A286 V291 V294 T305	V260-I270 HydrophobicContact CG1-CG2 3.54Å; S261-I270 WeakPolarHBondContact O-CA 3.1Å; Q268-I270 PolarHBondContact O-N 3.25Å; I270-F272 HydrophobicContact CG2-CE2 4.39Å; I270-T283 WeakPolarHBondContact O-CA 3.4Å; I270-L284 HydrophobicContact CB-CB 4.2Å; I270-L284 HydrophobicContact CD1-CD2 4.46Å; I270-L284 HydrophobicContact CG2-CB 4.43Å; I270-L284 PolarHBondContact N-O 2.82Å; I270-L284 PolarHBondContact O-N 3.49Å; I270-A286 HydrophobicContact CD1-CB 3.77Å; I270-V291 HydrophobicContact CD1-CG1 4.38Å; I270-V291 HydrophobicContact CD1-CG2 4.3Å; I270-V291 HydrophobicContact CG1-CG1 4.42Å; I270-V291 HydrophobicContact CG1-CG2 3.89Å; I270-V294 HydrophobicContact CD1-CG2 4.39Å; I270-T305 HydrophobicContact CD1-CG2 3.5Å
271	K	97	Very high	95.1	Very high	14 Å²	14	45.6 Å²	45.6	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.2	174.9	-59.7	-171.3	89.5	-177.3	0	112.2	G242 H243 V260 S261 Q268 W273 S280 A282 T283	G242-K271 PolarHBondContact O-NZ 2.84Å; H243-K271 VanDerWaalsContact CE1-CG 3.42Å; H243-K271 WeakPolarHBondContact CE1-CG 3.36Å; V260-K271 WeakPolarHBondContact CA-O 3.36Å; S261-K271 PolarHBondContact N-O 2.83Å; S261-K271 PolarHBondContact O-N 3.03Å; S261-K271 PolarHBondContact OG-O 3.35Å; S261-K271 VanDerWaalsContact OG-O 3.07Å; Q268-K271 HydrophobicContact CB-CD 4.11Å; Q268-K271 HydrophobicContact CB-CG 4.36Å; Q268-K271 VanDerWaalsContact OE1-CE 3.3Å; K271-W273 HydrophobicContact CB-CZ2 3.98Å; K271-W273 HydrophobicContact CD-CH2 4.33Å; K271-W273 HydrophobicContact CD-CZ2 3.88Å; K271-S280 WeakPolarHBondContact CE-OG 3.23Å; K271-S280 PolarHBondContact NZ-OG 3.27Å; K271-A282 WeakPolarHBondContact CA-O 3.49Å; K271-T283 VanDerWaalsContact CE-OG1 3.31Å; K271-T283 WeakPolarHBondContact CE-OG1 3.43Å; K271-T283 HydrophobicContact CG-CG2 4.33Å
272	F	97.6	Very high	95	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.9	173.6	-67.8	-95.7	0	0	0	109.7	L258 V259 V260 I270 S280 L281 A282 L284 W296 L303 I317 L320	L258-F272 HydrophobicContact CD1-CB 4.17Å; L258-F272 HydrophobicContact CD1-CD1 4.09Å; L258-F272 HydrophobicContact CD2-CD1 4.08Å; L258-F272 HydrophobicContact CG-CD1 4.29Å; V259-F272 CarbonylContact O-C 3.57Å; V259-F272 WeakPolarHBondContact O-CA 3.49Å; V260-F272 HydrophobicContact CG2-CD1 3.51Å; V260-F272 HydrophobicContact CG2-CE1 3.51Å; V260-F272 HydrophobicContact CG2-CG 4.35Å; V260-F272 HydrophobicContact CG2-CZ 4.36Å; I270-F272 HydrophobicContact CG2-CE2 4.39Å; F272-S280 CarbonylContact O-C 3.59Å; F272-L281 HydrophobicContact CB-CB 4.29Å; F272-L281 PolarHBondContact O-N 3.13Å; F272-A282 HydrophobicContact CB-CB 4.28Å; F272-A282 HydrophobicContact CD2-CB 4.02Å; F272-A282 HydrophobicContact CG-CB 4.45Å; F272-A282 PolarHBondContact N-O 3.33Å; F272-L284 HydrophobicContact CE2-CB 3.93Å; F272-L284 HydrophobicContact CE2-CD2 4.25Å; F272-W296 HydrophobicContact CE1-CH2 4.1Å; F272-W296 HydrophobicContact CE1-CZ2 4.28Å; F272-L303 HydrophobicContact CE1-CD2 4.16Å; F272-L303 HydrophobicContact CZ-CD2 3.67Å; F272-I317 HydrophobicContact CE1-CG2 4.26Å; F272-I317 HydrophobicContact CZ-CG2 4.47Å; F272-L320 HydrophobicContact CD2-CD1 4.15Å; F272-L320 HydrophobicContact CE1-CD1 4.48Å; F272-L320 HydrophobicContact CE1-CD2 4.44Å; F272-L320 HydrophobicContact CE2-CD1 3.73Å; F272-L320 HydrophobicContact CE2-CD2 3.96Å; F272-L320 HydrophobicContact CZ-CD1 3.91Å; F272-L320 HydrophobicContact CZ-CD2 3.58Å; F272-L320 HydrophobicContact CZ-CG 4.43Å
273	W	97.9	Very high	94.9	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.011	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.4	-175.5	-53.2	93.7	0	0	0	111.6	L240 R241 H243 V259 S261 K271 P275 Q279	L240-W273 HydrophobicContact CB-CD2 3.92Å; L240-W273 HydrophobicContact CB-CE3 3.83Å; L240-W273 HydrophobicContact CB-CH2 4.25Å; L240-W273 HydrophobicContact CB-CZ2 4.32Å; L240-W273 HydrophobicContact CB-CZ3 4Å; L240-W273 HydrophobicContact CD1-CB 3.74Å; L240-W273 HydrophobicContact CD1-CD2 3.98Å; L240-W273 HydrophobicContact CD1-CE3 4.44Å; L240-W273 HydrophobicContact CD1-CG 3.67Å; L240-W273 HydrophobicContact CD2-CB 4.37Å; L240-W273 HydrophobicContact CD2-CD2 4.38Å; L240-W273 HydrophobicContact CD2-CE3 4.02Å; L240-W273 HydrophobicContact CG-CD2 4.32Å; L240-W273 HydrophobicContact CG-CE3 4.31Å; L240-W273 HydrophobicContact CG-CG 4.47Å; R241-W273 VanDerWaalsContact O-CH2 3.28Å; R241-W273 WeakPolarHBondContact O-CH2 3.14Å; H243-W273 AromaticContact CD2-CZ2 3.96Å; V259-W273 HydrophobicContact CB-CB 4.39Å; V259-W273 PolarHBondContact N-O 3.04Å; V259-W273 PolarHBondContact O-N 3.05Å; S261-W273 PolarHBondContact OG-NE1 3.38Å; K271-W273 HydrophobicContact CB-CZ2 3.98Å; K271-W273 HydrophobicContact CD-CH2 4.33Å; K271-W273 HydrophobicContact CD-CZ2 3.88Å; W273-P275 WeakPolarHBondContact O-CD 3.45Å; W273-Q279 WeakPolarHBondContact CA-O 3.38Å
274	D	96.9	Very high	94.9	Very high	30 Å²	30	50 Å²	50	16%	0.16	27%	0.266	C	S	.	.			trans	-83.3	115.7	163.7	170.8	18.2	0	0	0	109.3	K276 T277 G278 Q279 L281	D274-K276 PolarHBondContact O-N 3.15Å; D274-K276 WeakPolarHBondContact OD1-CB 3.21Å; D274-K276 PolarHBondContact OD1-N 3.47Å; D274-T277 WeakPolarHBondContact CB-OG1 3.48Å; D274-T277 VanDerWaalsContact CG-OG1 3.31Å; D274-T277 VanDerWaalsContact OD2-CB 3.25Å; D274-T277 WeakPolarHBondContact OD2-CB 3.4Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.25Å; D274-T277 PolarHBondContact OD2-N 2.99Å; D274-T277 VanDerWaalsContact OD2-N 3.09Å; D274-T277 PolarHBondContact OD2-OG1 3.18Å; D274-G278 WeakPolarHBondContact O-CA 3.31Å; D274-G278 PolarHBondContact O-N 3.46Å; D274-Q279 PolarHBondContact N-O 2.81Å; D274-L281 HydrophobicContact CB-CD1 3.99Å; D274-L281 HydrophobicContact CB-CD2 4.09Å; D274-L281 HydrophobicContact CB-CG 4.07Å
275	P	95.6	Very high	94.8	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.026	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19	179	28.8	-34.8	0	0	0	113.9	I228 W252 G257 V259 W273	I228-P275 VanDerWaalsContact CD1-CA 3.4Å; I228-P275 HydrophobicContact CD1-CB 3.53Å; W252-P275 HydrophobicContact CH2-CB 3.56Å; W252-P275 HydrophobicContact CH2-CG 4.16Å; W252-P275 HydrophobicContact CZ2-CB 3.51Å; W252-P275 HydrophobicContact CZ2-CG 3.57Å; G257-P275 VanDerWaalsContact O-CD 3.25Å; G257-P275 WeakPolarHBondContact O-CD 3.48Å; V259-P275 HydrophobicContact CG2-CB 4.14Å; V259-P275 HydrophobicContact CG2-CG 4.37Å; W273-P275 WeakPolarHBondContact O-CD 3.45Å
276	K	93.6	Very high	94.8	Very high	154 Å²	154	50.2 Å²	50.2	67%	0.67	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-42.3	-179.9	-67.3	-175.9	178.6	179.9	0	112.9	R238 D274	R238-K276 PolarHBondContact NE-O 3.02Å; R238-K276 PolarHBondContact NH2-O 3.37Å; D274-K276 PolarHBondContact O-N 3.15Å; D274-K276 WeakPolarHBondContact OD1-CB 3.21Å; D274-K276 PolarHBondContact OD1-N 3.47Å
277	T	94.3	Very high	95	Very high	75 Å²	75	47.5 Å²	47.5	46%	0.46	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-23.9	178.7	59.5	0	0	0	0	113.6	D274 Q279	D274-T277 WeakPolarHBondContact CB-OG1 3.48Å; D274-T277 VanDerWaalsContact CG-OG1 3.31Å; D274-T277 VanDerWaalsContact OD2-CB 3.25Å; D274-T277 WeakPolarHBondContact OD2-CB 3.4Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.25Å; D274-T277 PolarHBondContact OD2-N 2.99Å; D274-T277 VanDerWaalsContact OD2-N 3.09Å; D274-T277 PolarHBondContact OD2-OG1 3.18Å; T277-Q279 VanDerWaalsContact C-N 3.28Å; T277-Q279 PolarHBondContact OG1-N 3.42Å
278	G	93.9	Very high	95	Very high	18 Å²	18	49.8 Å²	49.8	19%	0.186	26%	0.256	C	S	.	.			trans	79.7	6.5	-171.8	0	0	0	0	0	114.3	L240 D274	L240-G278 VanDerWaalsContact CD2-CA 3.49Å; D274-G278 WeakPolarHBondContact O-CA 3.31Å; D274-G278 PolarHBondContact O-N 3.46Å
279	Q	95.3	Very high	95.1	Very high	128 Å²	128	51 Å²	51	60%	0.598	26%	0.264	S	S	*	.			trans	-80.8	147	-177.6	-66	-64.4	-16	0	0	112.4	W273 D274 T277 L281	W273-Q279 WeakPolarHBondContact CA-O 3.38Å; D274-Q279 PolarHBondContact N-O 2.81Å; T277-Q279 VanDerWaalsContact C-N 3.28Å; T277-Q279 PolarHBondContact OG1-N 3.42Å; Q279-L281 PolarHBondContact O-N 3.1Å
280	S	96.1	Very high	95.2	Very high	45 Å²	45	52 Å²	52	32%	0.315	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	110.9	169.9	-178.8	0	0	0	0	108.9	K271 F272	K271-S280 WeakPolarHBondContact CE-OG 3.23Å; K271-S280 PolarHBondContact NZ-OG 3.27Å; F272-S280 CarbonylContact O-C 3.59Å
281	L	95.3	Very high	95.3	Very high	106 Å²	106	52 Å²	52	56%	0.555	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	-41.1	-177.5	-66	174.1	0	0	0	112.6	L258 F272 D274 Q279	L258-L281 HydrophobicContact CD1-CD1 3.59Å; F272-L281 HydrophobicContact CB-CB 4.29Å; F272-L281 PolarHBondContact O-N 3.13Å; D274-L281 HydrophobicContact CB-CD1 3.99Å; D274-L281 HydrophobicContact CB-CD2 4.09Å; D274-L281 HydrophobicContact CB-CG 4.07Å; Q279-L281 PolarHBondContact O-N 3.1Å
282	A	94.8	Very high	95.3	Very high	33 Å²	33	52.3 Å²	52.3	27%	0.273	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	150.1	-179.7	0	0	0	0	0	111.3	K271 F272 L320	K271-A282 WeakPolarHBondContact CA-O 3.49Å; F272-A282 HydrophobicContact CB-CB 4.28Å; F272-A282 HydrophobicContact CD2-CB 4.02Å; F272-A282 HydrophobicContact CG-CB 4.45Å; F272-A282 PolarHBondContact N-O 3.33Å; A282-L320 HydrophobicContact CB-CD1 4.27Å
283	T	95.1	Very high	95.3	Very high	44 Å²	44	53.3 Å²	53.3	27%	0.27	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.6	165.5	-59.4	0	0	0	0	108.9	Q268 I270 K271	Q268-T283 HydrophobicContact CB-CG2 4.37Å; Q268-T283 PolarHBondContact OE1-OG1 3.14Å; I270-T283 WeakPolarHBondContact O-CA 3.4Å; K271-T283 VanDerWaalsContact CE-OG1 3.31Å; K271-T283 WeakPolarHBondContact CE-OG1 3.43Å; K271-T283 HydrophobicContact CG-CG2 4.33Å
284	L	95.8	Very high	95.3	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.3	177.9	174.2	67.6	0	0	0	109.9	I270 F272 A286 F315 L320	I270-L284 HydrophobicContact CB-CB 4.2Å; I270-L284 HydrophobicContact CD1-CD2 4.46Å; I270-L284 HydrophobicContact CG2-CB 4.43Å; I270-L284 PolarHBondContact N-O 2.82Å; I270-L284 PolarHBondContact O-N 3.49Å; F272-L284 HydrophobicContact CE2-CB 3.93Å; F272-L284 HydrophobicContact CE2-CD2 4.25Å; L284-A286 VanDerWaalsContact C-N 3.28Å; L284-A286 HydrophobicContact CD2-CB 4.26Å; L284-A286 HydrophobicContact CG-CB 4.11Å; L284-A286 PolarHBondContact O-N 3.26Å; L284-A286 VanDerWaalsContact O-N 3.11Å; L284-F315 HydrophobicContact CD1-CD1 4.29Å; L284-F315 HydrophobicContact CD1-CE1 4.1Å; L284-F315 HydrophobicContact CD2-CD1 4.03Å; L284-F315 HydrophobicContact CD2-CD2 3.95Å; L284-F315 HydrophobicContact CD2-CE1 4.16Å; L284-F315 HydrophobicContact CD2-CE2 4.08Å; L284-F315 HydrophobicContact CD2-CG 3.93Å; L284-F315 HydrophobicContact CD2-CZ 4.19Å; L284-L320 WeakPolarHBondContact CD1-O 3.29Å; L284-L320 HydrophobicContact CD2-CD2 4.44Å
285	H	94.5	Very high	95.3	Very high	126 Å²	126	53 Å²	53	58%	0.583	27%	0.274	S	S	*	.			trans	-88.9	61.1	-179.8	-58.1	88.8	0	0	0	110.9	Q267	Q267-H285 PolarHBondContact O-CD2 3.27Å; Q267-H285 PolarHBondContact O-NE2 2.82Å
286	A	91.9	Very high	95.4	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.041	28%	0.275	C	S	.	.			trans	-71.4	-37.2	-172.9	0	0	0	0	0	114.3	I270 L284 K313 F315	I270-A286 HydrophobicContact CD1-CB 3.77Å; L284-A286 VanDerWaalsContact C-N 3.28Å; L284-A286 HydrophobicContact CD2-CB 4.26Å; L284-A286 HydrophobicContact CG-CB 4.11Å; L284-A286 PolarHBondContact O-N 3.26Å; L284-A286 VanDerWaalsContact O-N 3.11Å; A286-K313 WeakPolarHBondContact O-CD 3.34Å; A286-K313 WeakPolarHBondContact O-CE 3.15Å; A286-K313 PolarHBondContact O-NZ 2.81Å; A286-F315 HydrophobicContact CB-CE1 4.48Å; A286-F315 HydrophobicContact CB-CE2 3.62Å; A286-F315 HydrophobicContact CB-CZ 3.44Å; A286-F315 VanDerWaalsContact CB-CZ 3.44Å
287	H	94.9	Very high	95.6	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.046	25%	0.245	C	C	.	.			trans	-132.3	154.9	-166.5	-70.8	-76.9	0	0	0	111.4	V291 T305 S307 D309	H287-V291 HydrophobicContact CB-CG2 4.2Å; H287-T305 PolarHBondContact NE2-OG1 2.81Å; H287-S307 WeakPolarHBondContact CE1-CB 3.5Å; H287-S307 VanDerWaalsContact CG-CB 3.44Å; H287-S307 WeakPolarHBondContact ND1-CB 3.46Å; H287-S307 PolarHBondContact ND1-OG 3.42Å; H287-D309 WeakPolarHBondContact CA-OD2 3.37Å; H287-D309 VanDerWaalsContact CB-OD2 3.25Å; H287-D309 WeakPolarHBondContact CB-OD2 3.49Å; H287-D309 IonicContact CE1-OD1 3.18Å; H287-D309 IonicContact CG-OD2 2.74Å; H287-D309 VanDerWaalsContact ND1-CG 3.32Å; H287-D309 IonicContact ND1-OD1 2.76Å; H287-D309 PolarHBondContact ND1-OD1 3.38Å; H287-D309 IonicContact ND1-OD2 2.73Å; H287-D309 PolarHBondContact ND1-OD2 3.29Å
288	K	91.6	Very high	95.6	Very high	179 Å²	179	48.7 Å²	48.7	78%	0.778	25%	0.254	S	S	*	.	S	Bend	trans	-90.1	-28	177.2	-66.3	-176.6	179.7	-179.4	0	113	D309	K288-D309 PolarHBondContact N-OD2 3.13Å
289	N	94.7	Very high	95.6	Very high	79 Å²	79	50.2 Å²	50.2	42%	0.422	26%	0.258	S	S	.	.	S	Bend	trans	-110.9	177.4	-180	-64.5	-10.3	0	0	0	110.3	V291 R308 D309	N289-V291 PolarHBondContact O-N 2.92Å; N289-R308 HydrophobicContact CB-CB 3.87Å; N289-R308 PolarHBondContact ND2-O 3.39Å; N289-D309 HydrophobicContact CB-CB 4.27Å
290	T	96	Very high	95.6	Very high	20 Å²	20	44.2 Å²	44.2	12%	0.123	23%	0.23	C	C	.	.			trans	-50.6	127.2	177.7	-53.5	0	0	0	0	112.9	K248 K264 M292 S307 R308	K248-T290 HydrophobicContact CG-CG2 4.08Å; K264-T290 HydrophobicContact CB-CG2 4Å; K264-T290 HydrophobicContact CG-CG2 4.36Å; K264-T290 WeakPolarHBondContact CG-OG1 3.36Å; T290-M292 HydrophobicContact CG2-SD 4.2Å; T290-M292 PolarHBondContact O-N 3.25Å; T290-S307 WeakPolarHBondContact O-CA 3.38Å; T290-S307 PolarHBondContact O-OG 2.92Å; T290-R308 PolarHBondContact O-N 3.12Å
291	V	97.6	Very high	95.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120	169.4	-173.4	0	0	0	0	108	S263 P269 I270 H287 N289 V294	S263-V291 PolarHBondContact O-N 2.81Å; P269-V291 HydrophobicContact CB-CG2 4.01Å; I270-V291 HydrophobicContact CD1-CG1 4.38Å; I270-V291 HydrophobicContact CD1-CG2 4.3Å; I270-V291 HydrophobicContact CG1-CG1 4.42Å; I270-V291 HydrophobicContact CG1-CG2 3.89Å; H287-V291 HydrophobicContact CB-CG2 4.2Å; N289-V291 PolarHBondContact O-N 2.92Å; V291-V294 HydrophobicContact CG1-CG2 3.56Å
292	M	97.2	Very high	95.7	Very high	21 Å²	21	42 Å²	42	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-52.2	-175.6	-70.2	-62.2	-61.3	0	0	110.9	C249 T290 A306 R308 T335 M377 W379	C249-M292 WeakPolarHBondContact CB-O 3.14Å; C249-M292 PolarHBondContact SG-O 2.85Å; T290-M292 HydrophobicContact CG2-SD 4.2Å; T290-M292 PolarHBondContact O-N 3.25Å; M292-A306 PolarHBondContact N-O 2.75Å; M292-R308 HydrophobicContact CG-CG 3.77Å; M292-R308 HydrophobicContact SD-CG 3.83Å; M292-R308 PolarHBondContact SD-NE 2.93Å; M292-T335 HydrophobicContact CE-CG2 4.47Å; M292-M377 HydrophobicContact CE-CE 3.9Å; M292-W379 HydrophobicContact CE-CZ3 4.38Å
293	E	97.2	Very high	95.8	Very high	24 Å²	24	40.4 Å²	40.4	11%	0.112	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.5	175.8	-77.2	-164.6	166.8	0	0	111.8	C249 A306 A336 V337	C249-E293 VanDerWaalsContact SG-C 3.59Å; C249-E293 VanDerWaalsContact SG-CA 3.57Å; E293-A306 PolarHBondContact N-O 3.09Å; E293-A306 PolarHBondContact O-N 3.48Å; E293-A336 WeakPolarHBondContact OE2-CA 3.39Å; E293-V337 PolarHBondContact OE2-N 3.06Å
294	V	97.9	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.3	170.3	176	0	0	0	0	106.9	C249 V260 I270 V291 L303 L304 T305	C249-V294 PolarHBondContact SG-N 2.98Å; V260-V294 HydrophobicContact CB-CG1 4.28Å; V260-V294 HydrophobicContact CG1-CG1 3.8Å; I270-V294 HydrophobicContact CD1-CG2 4.39Å; V291-V294 HydrophobicContact CG1-CG2 3.56Å; V294-L303 HydrophobicContact CG1-CD1 3.43Å; V294-L303 VanDerWaalsContact CG1-CD1 3.43Å; V294-L303 HydrophobicContact CG1-CD2 4.29Å; V294-L303 HydrophobicContact CG1-CG 3.97Å; V294-L304 CarbonylContact C-O 3.54Å; V294-L304 WeakPolarHBondContact CA-O 3.22Å; V294-T305 HydrophobicContact CG1-CG2 4.35Å; V294-T305 HydrophobicContact CG2-CG2 4.14Å
295	K	97.9	Very high	96.1	Very high	27 Å²	27	37.6 Å²	37.6	12%	0.117	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129.3	179.6	-65.4	-64.4	167.7	-161.4	0	112.6	E207 D251 L304 W339	E207-K295 IonicContact OE1-NZ 2.82Å; E207-K295 PolarHBondContact OE1-NZ 2.96Å; D251-K295 WeakPolarHBondContact OD2-CA 3.32Å; K295-L304 PolarHBondContact N-O 2.94Å; K295-L304 PolarHBondContact O-N 3Å; K295-W339 PolarHBondContact O-NE1 2.82Å; K295-W339 VanDerWaalsContact O-NE1 3.15Å
296	W	97.6	Very high	96.2	Very high	14 Å²	14	31.6 Å²	31.6	5%	0.053	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.4	170	-73.6	108.8	0	0	0	111.4	D251 W252 H253 L258 V260 F272 L303 I317 W339	D251-W296 PolarHBondContact O-NE1 3.01Å; D251-W296 PolarHBondContact OD2-N 3.49Å; W252-W296 VanDerWaalsContact C-CD1 3.44Å; W252-W296 VanDerWaalsContact O-CD1 3.28Å; H253-W296 HydrophobicContact CB-CD2 4.23Å; H253-W296 HydrophobicContact CB-CZ2 3.86Å; H253-W296 AromaticContact CD2-CE3 3.84Å; H253-W296 AromaticContact CD2-CH2 3.53Å; H253-W296 AromaticContact CD2-CZ2 3.76Å; H253-W296 AromaticContact CD2-CZ3 3.57Å; L258-W296 HydrophobicContact CD2-CH2 3.68Å; L258-W296 HydrophobicContact CD2-CZ2 3.64Å; L258-W296 HydrophobicContact CG-CZ2 4.08Å; V260-W296 HydrophobicContact CB-CZ2 4.49Å; V260-W296 HydrophobicContact CG2-CH2 4.16Å; V260-W296 HydrophobicContact CG2-CZ2 3.22Å; F272-W296 HydrophobicContact CE1-CH2 4.1Å; F272-W296 HydrophobicContact CE1-CZ2 4.28Å; W296-L303 HydrophobicContact CD2-CD1 3.83Å; W296-L303 HydrophobicContact CE3-CB 4.44Å; W296-L303 HydrophobicContact CE3-CD1 4Å; W296-L303 HydrophobicContact CG-CD1 4.37Å; W296-L303 HydrophobicContact CH2-CD1 4.35Å; W296-L303 HydrophobicContact CZ2-CD1 4.21Å; W296-L303 HydrophobicContact CZ3-CB 4.28Å; W296-L303 HydrophobicContact CZ3-CD1 4.25Å; W296-I317 HydrophobicContact CH2-CB 4.08Å; W296-I317 HydrophobicContact CH2-CD1 3.75Å; W296-I317 HydrophobicContact CH2-CG1 4.13Å; W296-I317 HydrophobicContact CH2-CG2 3.51Å; W296-I317 HydrophobicContact CZ3-CB 4.08Å; W296-I317 HydrophobicContact CZ3-CD1 3.77Å; W296-I317 HydrophobicContact CZ3-CG1 3.84Å; W296-I317 HydrophobicContact CZ3-CG2 3.37Å; W296-W339 PolarHBondContact O-NE1 3.44Å
297	N	97	Very high	96.5	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	15%	0.152	C	C	.	.			trans	-76.1	145.8	160.6	-165.7	-6.1	0	0	0	109.6	N299 G300 W302 W339 E344	N297-N299 PolarHBondContact ND2-ND2 3.42Å; N297-N299 PolarHBondContact O-N 2.86Å; N297-N299 VanDerWaalsContact O-N 3.12Å; N297-G300 PolarHBondContact O-N 2.91Å; N297-W302 HydrophobicContact CB-CB 4.02Å; N297-W302 PolarHBondContact N-O 2.94Å; N297-W339 HydrophobicContact CB-CD2 4.29Å; N297-W339 HydrophobicContact CB-CH2 4.39Å; N297-W339 HydrophobicContact CB-CZ2 3.86Å; N297-E344 PolarHBondContact ND2-O 2.99Å
298	L	94.6	Very high	96.5	Very high	125 Å²	125	35 Å²	35	65%	0.654	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.4	178.1	-63.4	178.1	0	0	0	112.7	G300	L298-G300 PolarHBondContact O-N 2.87Å
299	N	95.1	Very high	96.7	Very high	50 Å²	50	28 Å²	28	27%	0.267	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.6	173.3	75.8	15.1	0	0	0	114.3	N297 N301 W302 E344	N297-N299 PolarHBondContact ND2-ND2 3.42Å; N297-N299 PolarHBondContact O-N 2.86Å; N297-N299 VanDerWaalsContact O-N 3.12Å; N299-N301 VanDerWaalsContact C-N 3.25Å; N299-N301 PolarHBondContact O-N 3.19Å; N299-N301 PolarHBondContact OD1-N 3.25Å; N299-W302 PolarHBondContact OD1-N 3.01Å; N299-E344 PolarHBondContact ND2-OE2 3.32Å
300	G	94.9	Very high	96.8	Very high	1 Å²	1	28 Å²	28	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	66.9	18.3	176.9	0	0	0	0	0	115.3	H253 K256 N297 L298	H253-G300 WeakPolarHBondContact NE2-CA 3.25Å; H253-G300 PolarHBondContact NE2-O 3Å; K256-G300 PolarHBondContact NZ-O 2.78Å; N297-G300 PolarHBondContact O-N 2.91Å; L298-G300 PolarHBondContact O-N 2.87Å
301	N	95.9	Very high	96.8	Very high	50 Å²	50	28.7 Å²	28.7	27%	0.267	14%	0.136	S	C	.	.	S	Bend	trans	-112.9	-33.3	176	-64.7	-45.8	0	0	0	112.4	N299 I317	N299-N301 VanDerWaalsContact C-N 3.25Å; N299-N301 PolarHBondContact O-N 3.19Å; N299-N301 PolarHBondContact OD1-N 3.25Å; N301-I317 WeakPolarHBondContact O-CG1 3.37Å; N301-I317 PolarHBondContact O-N 3.09Å
302	W	97.3	Very high	96.8	Very high	54 Å²	54	28.7 Å²	28.7	21%	0.205	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.4	-177.7	-61.9	-22.6	0	0	0	113.3	N297 N299 L314 F315 W339 A361	N297-W302 HydrophobicContact CB-CB 4.02Å; N297-W302 PolarHBondContact N-O 2.94Å; N299-W302 PolarHBondContact OD1-N 3.01Å; W302-L314 HydrophobicContact CB-CD1 3.89Å; W302-L314 HydrophobicContact CD2-CD2 4.33Å; W302-L314 HydrophobicContact CG-CD1 4.23Å; W302-L314 HydrophobicContact CG-CD2 4.47Å; W302-L314 HydrophobicContact CG-CG 4.45Å; W302-F315 WeakPolarHBondContact CA-O 3.38Å; W302-W339 HydrophobicContact CB-CZ2 4.33Å; W302-W339 AromaticContact CE3-CH2 3.85Å; W302-W339 HydrophobicContact CE3-CH2 3.85Å; W302-W339 HydrophobicContact CE3-CZ3 4.39Å; W302-A361 HydrophobicContact CH2-CB 4.14Å; W302-A361 HydrophobicContact CZ3-CB 3.97Å
303	L	97.6	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.7	167.1	-172.3	72.5	0	0	0	108.7	V260 F272 V294 W296 T305 L314 F315 I317	V260-L303 HydrophobicContact CB-CD1 4.36Å; V260-L303 HydrophobicContact CG1-CD1 4.26Å; V260-L303 HydrophobicContact CG1-CD2 4.04Å; V260-L303 HydrophobicContact CG2-CD1 4.12Å; F272-L303 HydrophobicContact CE1-CD2 4.16Å; F272-L303 HydrophobicContact CZ-CD2 3.67Å; V294-L303 HydrophobicContact CG1-CD1 3.43Å; V294-L303 VanDerWaalsContact CG1-CD1 3.43Å; V294-L303 HydrophobicContact CG1-CD2 4.29Å; V294-L303 HydrophobicContact CG1-CG 3.97Å; W296-L303 HydrophobicContact CD2-CD1 3.83Å; W296-L303 HydrophobicContact CE3-CB 4.44Å; W296-L303 HydrophobicContact CE3-CD1 4Å; W296-L303 HydrophobicContact CG-CD1 4.37Å; W296-L303 HydrophobicContact CH2-CD1 4.35Å; W296-L303 HydrophobicContact CZ2-CD1 4.21Å; W296-L303 HydrophobicContact CZ3-CB 4.28Å; W296-L303 HydrophobicContact CZ3-CD1 4.25Å; L303-T305 HydrophobicContact CD2-CG2 4.19Å; L303-T305 HydrophobicContact CG-CG2 4.16Å; L303-L314 WeakPolarHBondContact O-CA 3.2Å; L303-F315 HydrophobicContact CB-CB 4.44Å; L303-F315 PolarHBondContact N-O 2.93Å; L303-F315 PolarHBondContact O-N 2.97Å; L303-I317 HydrophobicContact CB-CG2 3.88Å
304	L	98.1	Very high	96.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.8	175.7	178.3	59.2	0	0	0	109.7	V294 K295 C312 K313 L314 F327 V337 W339 F347	V294-L304 CarbonylContact C-O 3.54Å; V294-L304 WeakPolarHBondContact CA-O 3.22Å; K295-L304 PolarHBondContact N-O 2.94Å; K295-L304 PolarHBondContact O-N 3Å; L304-C312 HydrophobicContact CD1-CB 4.32Å; L304-K313 WeakPolarHBondContact CA-O 3.35Å; L304-K313 WeakPolarHBondContact CD1-O 3.49Å; L304-L314 HydrophobicContact CB-CD1 4.3Å; L304-L314 HydrophobicContact CD1-CD1 4.44Å; L304-F327 HydrophobicContact CD1-CD2 4.43Å; L304-F327 HydrophobicContact CD1-CE2 4.14Å; L304-V337 HydrophobicContact CD2-CG1 3.36Å; L304-V337 HydrophobicContact CG-CG1 3.88Å; L304-W339 HydrophobicContact CB-CZ2 3.53Å; L304-W339 HydrophobicContact CD2-CD2 4.1Å; L304-W339 HydrophobicContact CD2-CH2 4.2Å; L304-W339 HydrophobicContact CD2-CZ2 3.74Å; L304-W339 HydrophobicContact CG-CZ2 4.25Å; L304-F347 HydrophobicContact CD1-CE1 4.17Å; L304-F347 HydrophobicContact CD1-CE2 4.17Å; L304-F347 HydrophobicContact CD1-CZ 3.85Å; L304-F347 HydrophobicContact CD2-CB 4.09Å; L304-F347 HydrophobicContact CD2-CD1 3.68Å; L304-F347 HydrophobicContact CD2-CD2 3.61Å; L304-F347 HydrophobicContact CD2-CE1 3.91Å; L304-F347 HydrophobicContact CD2-CE2 3.83Å; L304-F347 HydrophobicContact CD2-CG 3.52Å; L304-F347 HydrophobicContact CD2-CZ 3.98Å
305	T	97.7	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.7	-173.5	67.7	0	0	0	0	109.7	I270 H287 V294 L303 C312 K313 F315	I270-T305 HydrophobicContact CD1-CG2 3.5Å; H287-T305 PolarHBondContact NE2-OG1 2.81Å; V294-T305 HydrophobicContact CG1-CG2 4.35Å; V294-T305 HydrophobicContact CG2-CG2 4.14Å; L303-T305 HydrophobicContact CD2-CG2 4.19Å; L303-T305 HydrophobicContact CG-CG2 4.16Å; T305-C312 CarbonylContact O-C 3.45Å; T305-C312 WeakPolarHBondContact O-CA 3.32Å; T305-K313 PolarHBondContact N-O 2.72Å; T305-K313 PolarHBondContact O-N 3.16Å; T305-K313 PolarHBondContact OG1-O 2.88Å; T305-F315 HydrophobicContact CG2-CD2 4.25Å; T305-F315 HydrophobicContact CG2-CE2 4.29Å
306	A	97.6	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.8	175.1	0	0	0	0	0	111.3	M292 E293 A334 V337	M292-A306 PolarHBondContact N-O 2.75Å; E293-A306 PolarHBondContact N-O 3.09Å; E293-A306 PolarHBondContact O-N 3.48Å; A306-A334 HydrophobicContact CB-CB 4.1Å; A306-V337 HydrophobicContact CB-CG2 3.44Å; A306-V337 VanDerWaalsContact CB-CG2 3.44Å
307	S	97.3	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.8	-165.2	172.8	0	0	0	0	113.7	H287 T290 D309 H310 L311 A334	H287-S307 WeakPolarHBondContact CE1-CB 3.5Å; H287-S307 VanDerWaalsContact CG-CB 3.44Å; H287-S307 WeakPolarHBondContact ND1-CB 3.46Å; H287-S307 PolarHBondContact ND1-OG 3.42Å; T290-S307 WeakPolarHBondContact O-CA 3.38Å; T290-S307 PolarHBondContact O-OG 2.92Å; S307-D309 WeakPolarHBondContact CB-OD1 3.28Å; S307-D309 PolarHBondContact O-N 2.81Å; S307-D309 VanDerWaalsContact O-N 3.17Å; S307-D309 PolarHBondContact OG-N 3.32Å; S307-D309 PolarHBondContact OG-OD1 3.36Å; S307-D309 VanDerWaalsContact OG-OD1 3.07Å; S307-D309 PolarHBondContact OG-OD2 3.15Å; S307-H310 PolarHBondContact O-N 2.96Å; S307-L311 PolarHBondContact N-O 3.42Å; S307-A334 CarbonylContact C-O 3.53Å; S307-A334 PolarHBondContact N-O 3.46Å; S307-A334 PolarHBondContact O-N 2.62Å; S307-A334 VanDerWaalsContact O-N 3.11Å
308	R	96.6	Very high	96.3	Very high	86 Å²	86	36.9 Å²	36.9	33%	0.325	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	4.6	170.2	-58.7	-169.9	178.6	-135.2	2.9	114.7	N289 T290 M292 E333	N289-R308 HydrophobicContact CB-CB 3.87Å; N289-R308 PolarHBondContact ND2-O 3.39Å; T290-R308 PolarHBondContact O-N 3.12Å; M292-R308 HydrophobicContact CG-CG 3.77Å; M292-R308 HydrophobicContact SD-CG 3.83Å; M292-R308 PolarHBondContact SD-NE 2.93Å; R308-E333 HydrophobicContact CB-CB 4.33Å; R308-E333 HydrophobicContact CB-CG 3.89Å; R308-E333 WeakPolarHBondContact CD-OE1 3.27Å; R308-E333 HydrophobicContact CG-CB 4.29Å; R308-E333 VanDerWaalsContact CG-CD 3.47Å; R308-E333 HydrophobicContact CG-CG 4.07Å; R308-E333 WeakPolarHBondContact CG-OE2 3.46Å; R308-E333 IonicContact CZ-OE2 2.64Å; R308-E333 IonicContact NE-OE2 3.59Å; R308-E333 IonicContact NH1-OE1 3.18Å; R308-E333 PolarHBondContact NH1-OE1 3.4Å; R308-E333 IonicContact NH1-OE2 2.98Å; R308-E333 PolarHBondContact NH1-OE2 2.77Å
309	D	95.6	Very high	96.2	Very high	33 Å²	33	34.2 Å²	34.2	18%	0.176	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	12.7	166.5	60.1	19.5	0	0	0	113.2	H287 K288 N289 S307 L311	H287-D309 WeakPolarHBondContact CA-OD2 3.37Å; H287-D309 VanDerWaalsContact CB-OD2 3.25Å; H287-D309 WeakPolarHBondContact CB-OD2 3.49Å; H287-D309 IonicContact CE1-OD1 3.18Å; H287-D309 IonicContact CG-OD2 2.74Å; H287-D309 VanDerWaalsContact ND1-CG 3.32Å; H287-D309 IonicContact ND1-OD1 2.76Å; H287-D309 PolarHBondContact ND1-OD1 3.38Å; H287-D309 IonicContact ND1-OD2 2.73Å; H287-D309 PolarHBondContact ND1-OD2 3.29Å; K288-D309 PolarHBondContact N-OD2 3.13Å; N289-D309 HydrophobicContact CB-CB 4.27Å; S307-D309 WeakPolarHBondContact CB-OD1 3.28Å; S307-D309 PolarHBondContact O-N 2.81Å; S307-D309 VanDerWaalsContact O-N 3.17Å; S307-D309 PolarHBondContact OG-N 3.32Å; S307-D309 PolarHBondContact OG-OD1 3.36Å; S307-D309 VanDerWaalsContact OG-OD1 3.07Å; S307-D309 PolarHBondContact OG-OD2 3.15Å; D309-L311 PolarHBondContact O-N 3.22Å; D309-L311 WeakPolarHBondContact OD1-CB 3.43Å; D309-L311 PolarHBondContact OD1-N 2.79Å
310	H	96.4	Very high	96.1	Very high	78 Å²	78	34.3 Å²	34.3	36%	0.361	16%	0.155	S	C	.	.	S	Bend	trans	70.7	11.4	178	-48.3	-174.8	0	0	0	113.7	S307 K331 K332 E333	S307-H310 PolarHBondContact O-N 2.96Å; H310-K331 PolarHBondContact CE1-O 3.24Å; H310-K331 PolarHBondContact ND1-O 2.78Å; H310-K332 WeakPolarHBondContact CB-O 3.35Å; H310-K332 VanDerWaalsContact CG-C 3.42Å; H310-K332 VanDerWaalsContact CG-O 3.3Å; H310-E333 PolarHBondContact CD2-N 3.48Å; H310-E333 VanDerWaalsContact CD2-N 3.28Å
311	L	96.8	Very high	95.7	Very high	34 Å²	34	42.9 Å²	42.9	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146	-178.3	-54.5	177.3	0	0	0	111.6	S307 D309 V326 R328	S307-L311 PolarHBondContact N-O 3.42Å; D309-L311 PolarHBondContact O-N 3.22Å; D309-L311 WeakPolarHBondContact OD1-CB 3.43Å; D309-L311 PolarHBondContact OD1-N 2.79Å; L311-V326 HydrophobicContact CB-CG1 4.34Å; L311-V326 HydrophobicContact CD1-CG1 4.01Å; L311-V326 HydrophobicContact CD2-CG1 4.02Å; L311-V326 HydrophobicContact CG-CG1 4.36Å; L311-R328 HydrophobicContact CD2-CG 3.69Å
312	C	97.6	Very high	95.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143.3	152.4	-60.1	0	0	0	0	108.8	L304 T305 F327	L304-C312 HydrophobicContact CD1-CB 4.32Å; T305-C312 CarbonylContact O-C 3.45Å; T305-C312 WeakPolarHBondContact O-CA 3.32Å; C312-F327 HydrophobicContact CB-CB 4.15Å; C312-F327 HydrophobicContact CB-CD2 4.05Å; C312-F327 PolarHBondContact N-O 2.89Å; C312-F327 PolarHBondContact O-N 2.67Å
313	K	97.5	Very high	95.3	Very high	24 Å²	24	47.6 Å²	47.6	10%	0.104	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.2	-179.9	-65	-169.4	171.3	-164.8	0	112.1	A286 L304 T305 F315 E323 V326	A286-K313 WeakPolarHBondContact O-CD 3.34Å; A286-K313 WeakPolarHBondContact O-CE 3.15Å; A286-K313 PolarHBondContact O-NZ 2.81Å; L304-K313 WeakPolarHBondContact CA-O 3.35Å; L304-K313 WeakPolarHBondContact CD1-O 3.49Å; T305-K313 PolarHBondContact N-O 2.72Å; T305-K313 PolarHBondContact O-N 3.16Å; T305-K313 PolarHBondContact OG1-O 2.88Å; K313-F315 HydrophobicContact CB-CD2 4.38Å; K313-F315 HydrophobicContact CB-CE2 3.57Å; K313-F315 HydrophobicContact CB-CZ 4.01Å; K313-F315 HydrophobicContact CD-CE2 4.25Å; K313-F315 HydrophobicContact CD-CZ 3.91Å; K313-E323 WeakPolarHBondContact CE-OE2 3.43Å; K313-E323 IonicContact NZ-OE2 3.11Å; K313-E323 PolarHBondContact NZ-OE2 3.18Å; K313-V326 HydrophobicContact CD-CG2 4.23Å; K313-V326 HydrophobicContact CG-CB 4.48Å; K313-V326 HydrophobicContact CG-CG1 4.16Å; K313-V326 HydrophobicContact CG-CG2 4.05Å
314	L	97.8	Very high	95.1	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.5	176.4	-163.3	69	0	0	0	110.1	W302 L303 L304 L324 Q325 F327 W339 A361	W302-L314 HydrophobicContact CB-CD1 3.89Å; W302-L314 HydrophobicContact CD2-CD2 4.33Å; W302-L314 HydrophobicContact CG-CD1 4.23Å; W302-L314 HydrophobicContact CG-CD2 4.47Å; W302-L314 HydrophobicContact CG-CG 4.45Å; L303-L314 WeakPolarHBondContact O-CA 3.2Å; L304-L314 HydrophobicContact CB-CD1 4.3Å; L304-L314 HydrophobicContact CD1-CD1 4.44Å; L314-L324 HydrophobicContact CB-CB 4.29Å; L314-L324 HydrophobicContact CD2-CB 4.33Å; L314-L324 HydrophobicContact CD2-CD1 4.09Å; L314-L324 HydrophobicContact CG-CB 4.36Å; L314-L324 HydrophobicContact CG-CD1 4.15Å; L314-L324 WeakPolarHBondContact O-CB 3.29Å; L314-L324 PolarHBondContact O-N 3.18Å; L314-Q325 HydrophobicContact CB-CB 4.15Å; L314-Q325 PolarHBondContact N-O 3.38Å; L314-Q325 PolarHBondContact O-N 3.4Å; L314-F327 HydrophobicContact CB-CE2 4.03Å; L314-W339 HydrophobicContact CD1-CH2 3.74Å; L314-W339 HydrophobicContact CD1-CZ2 3.84Å; L314-A361 HydrophobicContact CD2-CB 4.19Å
315	F	97.3	Very high	95	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141	176.6	-63	-85.9	0	0	0	111.1	L284 A286 W302 L303 T305 K313 E323	L284-F315 HydrophobicContact CD1-CD1 4.29Å; L284-F315 HydrophobicContact CD1-CE1 4.1Å; L284-F315 HydrophobicContact CD2-CD1 4.03Å; L284-F315 HydrophobicContact CD2-CD2 3.95Å; L284-F315 HydrophobicContact CD2-CE1 4.16Å; L284-F315 HydrophobicContact CD2-CE2 4.08Å; L284-F315 HydrophobicContact CD2-CG 3.93Å; L284-F315 HydrophobicContact CD2-CZ 4.19Å; A286-F315 HydrophobicContact CB-CE1 4.48Å; A286-F315 HydrophobicContact CB-CE2 3.62Å; A286-F315 HydrophobicContact CB-CZ 3.44Å; A286-F315 VanDerWaalsContact CB-CZ 3.44Å; W302-F315 WeakPolarHBondContact CA-O 3.38Å; L303-F315 HydrophobicContact CB-CB 4.44Å; L303-F315 PolarHBondContact N-O 2.93Å; L303-F315 PolarHBondContact O-N 2.97Å; T305-F315 HydrophobicContact CG2-CD2 4.25Å; T305-F315 HydrophobicContact CG2-CE2 4.29Å; K313-F315 HydrophobicContact CB-CD2 4.38Å; K313-F315 HydrophobicContact CB-CE2 3.57Å; K313-F315 HydrophobicContact CB-CZ 4.01Å; K313-F315 HydrophobicContact CD-CE2 4.25Å; K313-F315 HydrophobicContact CD-CZ 3.91Å; F315-E323 HydrophobicContact CD1-CB 4.2Å; F315-E323 HydrophobicContact CE1-CB 3.66Å; F315-E323 HydrophobicContact CZ-CB 4.22Å
316	D	95.4	Very high	95	Very high	17 Å²	17	54 Å²	54	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.7	164.5	-163.5	-46.2	0	0	0	108.7	R318 N319 L320 L324	D316-R318 PolarHBondContact O-N 2.85Å; D316-R318 WeakPolarHBondContact OD1-CB 3.3Å; D316-R318 WeakPolarHBondContact OD1-CG 3.5Å; D316-R318 IonicContact OD1-CZ 2.66Å; D316-R318 PolarHBondContact OD1-N 3.43Å; D316-R318 IonicContact OD1-NE 3.47Å; D316-R318 PolarHBondContact OD1-NE 3.11Å; D316-R318 IonicContact OD1-NH2 3.4Å; D316-R318 IonicContact OD2-CZ 3.49Å; D316-R318 IonicContact OD2-NE 3.65Å; D316-R318 PolarHBondContact OD2-NE 3.23Å; D316-R318 IonicContact OD2-NH2 3.66Å; D316-R318 PolarHBondContact OD2-NH2 3.17Å; D316-N319 CarbonylContact O-C 3.59Å; D316-N319 PolarHBondContact O-N 3.26Å; D316-L320 PolarHBondContact O-N 3.33Å; D316-L324 HydrophobicContact CB-CD1 3.85Å; D316-L324 HydrophobicContact CB-CD2 4.19Å; D316-L324 HydrophobicContact CB-CG 4.02Å
317	I	93.9	Very high	95	Very high	29 Å²	29	54 Å²	54	15%	0.149	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.8	-177.5	64.6	135.4	0	0	0	114.2	K256 L258 F272 W296 N301 L303 L320	K256-I317 HydrophobicContact CD-CD1 4.39Å; L258-I317 HydrophobicContact CD2-CD1 4.38Å; F272-I317 HydrophobicContact CE1-CG2 4.26Å; F272-I317 HydrophobicContact CZ-CG2 4.47Å; W296-I317 HydrophobicContact CH2-CB 4.08Å; W296-I317 HydrophobicContact CH2-CD1 3.75Å; W296-I317 HydrophobicContact CH2-CG1 4.13Å; W296-I317 HydrophobicContact CH2-CG2 3.51Å; W296-I317 HydrophobicContact CZ3-CB 4.08Å; W296-I317 HydrophobicContact CZ3-CD1 3.77Å; W296-I317 HydrophobicContact CZ3-CG1 3.84Å; W296-I317 HydrophobicContact CZ3-CG2 3.37Å; N301-I317 WeakPolarHBondContact O-CG1 3.37Å; N301-I317 PolarHBondContact O-N 3.09Å; L303-I317 HydrophobicContact CB-CG2 3.88Å; I317-L320 HydrophobicContact CB-CD2 4.37Å; I317-L320 HydrophobicContact CG2-CD2 4.15Å
318	R	91.2	Very high	94.9	Very high	180 Å²	180	61.5 Å²	61.5	68%	0.679	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.9	167.9	-53.6	169.8	-66	174.9	3.4	111.8	D316	D316-R318 PolarHBondContact O-N 2.85Å; D316-R318 WeakPolarHBondContact OD1-CB 3.3Å; D316-R318 WeakPolarHBondContact OD1-CG 3.5Å; D316-R318 IonicContact OD1-CZ 2.66Å; D316-R318 PolarHBondContact OD1-N 3.43Å; D316-R318 IonicContact OD1-NE 3.47Å; D316-R318 PolarHBondContact OD1-NE 3.11Å; D316-R318 IonicContact OD1-NH2 3.4Å; D316-R318 IonicContact OD2-CZ 3.49Å; D316-R318 IonicContact OD2-NE 3.65Å; D316-R318 PolarHBondContact OD2-NE 3.23Å; D316-R318 IonicContact OD2-NH2 3.66Å; D316-R318 PolarHBondContact OD2-NH2 3.17Å
319	N	92.7	Very high	94.7	Very high	70 Å²	70	59.1 Å²	59.1	37%	0.374	28%	0.279	S	S	.	.			trans	-138.7	75.1	176.9	-177.4	19.7	0	0	0	111	D316 K321 E322	D316-N319 CarbonylContact O-C 3.59Å; D316-N319 PolarHBondContact O-N 3.26Å; N319-K321 PolarHBondContact O-N 3.4Å; N319-K321 VanDerWaalsContact O-N 3.13Å; N319-K321 WeakPolarHBondContact OD1-CB 3.22Å; N319-K321 PolarHBondContact OD1-N 3.07Å; N319-E322 PolarHBondContact ND2-OE2 3.39Å
320	L	92.4	Very high	94.7	Very high	52 Å²	52	58.2 Å²	58.2	27%	0.272	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-2.9	179	-66.3	176.1	0	0	0	114.6	F272 A282 L284 D316 I317	F272-L320 HydrophobicContact CD2-CD1 4.15Å; F272-L320 HydrophobicContact CE1-CD1 4.48Å; F272-L320 HydrophobicContact CE1-CD2 4.44Å; F272-L320 HydrophobicContact CE2-CD1 3.73Å; F272-L320 HydrophobicContact CE2-CD2 3.96Å; F272-L320 HydrophobicContact CZ-CD1 3.91Å; F272-L320 HydrophobicContact CZ-CD2 3.58Å; F272-L320 HydrophobicContact CZ-CG 4.43Å; A282-L320 HydrophobicContact CB-CD1 4.27Å; L284-L320 WeakPolarHBondContact CD1-O 3.29Å; L284-L320 HydrophobicContact CD2-CD2 4.44Å; D316-L320 PolarHBondContact O-N 3.33Å; I317-L320 HydrophobicContact CB-CD2 4.37Å; I317-L320 HydrophobicContact CG2-CD2 4.15Å
321	K	88.1	Confident	94.6	Very high	181 Å²	181	60.4 Å²	60.4	79%	0.787	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-30.1	-179.1	-173.2	-171.2	170.6	-158.1	0	112.1	N319	N319-K321 PolarHBondContact O-N 3.4Å; N319-K321 VanDerWaalsContact O-N 3.13Å; N319-K321 WeakPolarHBondContact OD1-CB 3.22Å; N319-K321 PolarHBondContact OD1-N 3.07Å
322	E	90.3	Very high	94.6	Very high	110 Å²	110	64 Å²	64	51%	0.514	30%	0.296	S	S	.	.	S	Bend	trans	-121.9	139.5	-172.5	-70.6	165.8	-179.8	0	0	110	N319	N319-E322 PolarHBondContact ND2-OE2 3.39Å
323	E	93.4	Very high	94.5	Very high	92 Å²	92	66.2 Å²	66.2	43%	0.43	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.1	170.7	54	-170.8	-158.7	0	0	109.2	K313 F315 V326	K313-E323 WeakPolarHBondContact CE-OE2 3.43Å; K313-E323 IonicContact NZ-OE2 3.11Å; K313-E323 PolarHBondContact NZ-OE2 3.18Å; F315-E323 HydrophobicContact CD1-CB 4.2Å; F315-E323 HydrophobicContact CE1-CB 3.66Å; F315-E323 HydrophobicContact CZ-CB 4.22Å; E323-V326 HydrophobicContact CB-CG2 4.5Å; E323-V326 HydrophobicContact CG-CG2 4.06Å; E323-V326 WeakPolarHBondContact OE1-CG2 3.27Å
324	L	94.1	Very high	94.5	Very high	91 Å²	91	65 Å²	65	48%	0.476	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-45.2	178.9	-77.7	178.6	0	0	0	110.9	L314 D316	L314-L324 HydrophobicContact CB-CB 4.29Å; L314-L324 HydrophobicContact CD2-CB 4.33Å; L314-L324 HydrophobicContact CD2-CD1 4.09Å; L314-L324 HydrophobicContact CG-CB 4.36Å; L314-L324 HydrophobicContact CG-CD1 4.15Å; L314-L324 WeakPolarHBondContact O-CB 3.29Å; L314-L324 PolarHBondContact O-N 3.18Å; D316-L324 HydrophobicContact CB-CD1 3.85Å; D316-L324 HydrophobicContact CB-CD2 4.19Å; D316-L324 HydrophobicContact CB-CG 4.02Å
325	Q	95.7	Very high	94.5	Very high	27 Å²	27	65 Å²	65	13%	0.126	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	145.6	-175.4	-166.9	173.5	-2.1	0	0	110.8	L314 F327 V363	L314-Q325 HydrophobicContact CB-CB 4.15Å; L314-Q325 PolarHBondContact N-O 3.38Å; L314-Q325 PolarHBondContact O-N 3.4Å; Q325-F327 HydrophobicContact CB-CZ 4.26Å; Q325-F327 HydrophobicContact CG-CD1 4.39Å; Q325-F327 HydrophobicContact CG-CE1 3.97Å; Q325-F327 HydrophobicContact CG-CE2 4.49Å; Q325-F327 HydrophobicContact CG-CZ 4.01Å; Q325-V363 VanDerWaalsContact NE2-C 3.29Å; Q325-V363 PolarHBondContact NE2-O 2.92Å
326	V	96.9	Very high	94.5	Very high	17 Å²	17	64.7 Å²	64.7	10%	0.103	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.7	173.5	-178.4	0	0	0	0	109.1	L311 K313 E323 R328	L311-V326 HydrophobicContact CB-CG1 4.34Å; L311-V326 HydrophobicContact CD1-CG1 4.01Å; L311-V326 HydrophobicContact CD2-CG1 4.02Å; L311-V326 HydrophobicContact CG-CG1 4.36Å; K313-V326 HydrophobicContact CD-CG2 4.23Å; K313-V326 HydrophobicContact CG-CB 4.48Å; K313-V326 HydrophobicContact CG-CG1 4.16Å; K313-V326 HydrophobicContact CG-CG2 4.05Å; E323-V326 HydrophobicContact CB-CG2 4.5Å; E323-V326 HydrophobicContact CG-CG2 4.06Å; E323-V326 WeakPolarHBondContact OE1-CG2 3.27Å; V326-R328 HydrophobicContact CG1-CG 4.29Å
327	F	97.2	Very high	94.6	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.2	-179.9	-54.8	-78.4	0	0	0	109.7	L304 C312 L314 Q325 F347 W359	L304-F327 HydrophobicContact CD1-CD2 4.43Å; L304-F327 HydrophobicContact CD1-CE2 4.14Å; C312-F327 HydrophobicContact CB-CB 4.15Å; C312-F327 HydrophobicContact CB-CD2 4.05Å; C312-F327 PolarHBondContact N-O 2.89Å; C312-F327 PolarHBondContact O-N 2.67Å; L314-F327 HydrophobicContact CB-CE2 4.03Å; Q325-F327 HydrophobicContact CB-CZ 4.26Å; Q325-F327 HydrophobicContact CG-CD1 4.39Å; Q325-F327 HydrophobicContact CG-CE1 3.97Å; Q325-F327 HydrophobicContact CG-CE2 4.49Å; Q325-F327 HydrophobicContact CG-CZ 4.01Å; F327-F347 HydrophobicContact CD1-CZ 4.23Å; F327-F347 HydrophobicContact CD2-CE1 4.23Å; F327-F347 AromaticContact CD2-CZ 3.59Å; F327-F347 HydrophobicContact CD2-CZ 3.59Å; F327-F347 HydrophobicContact CE1-CE1 4.09Å; F327-F347 HydrophobicContact CE1-CZ 4.13Å; F327-F347 AromaticContact CE2-CE1 3.64Å; F327-F347 HydrophobicContact CE2-CE1 3.64Å; F327-F347 AromaticContact CE2-CZ 3.48Å; F327-F347 HydrophobicContact CE2-CZ 3.48Å; F327-F347 VanDerWaalsContact CE2-CZ 3.48Å; F327-F347 AromaticContact CG-CZ 3.97Å; F327-F347 HydrophobicContact CG-CZ 3.97Å; F327-F347 AromaticContact CZ-CE1 3.57Å; F327-F347 HydrophobicContact CZ-CE1 3.57Å; F327-F347 AromaticContact CZ-CZ 3.78Å; F327-F347 HydrophobicContact CZ-CZ 3.78Å; F327-W359 HydrophobicContact CB-CD2 3.91Å; F327-W359 HydrophobicContact CB-CE3 3.75Å; F327-W359 HydrophobicContact CB-CH2 4.07Å; F327-W359 HydrophobicContact CB-CZ2 4.21Å; F327-W359 HydrophobicContact CB-CZ3 3.81Å; F327-W359 HydrophobicContact CD1-CB 4.18Å; F327-W359 AromaticContact CD1-CD2 3.91Å; F327-W359 HydrophobicContact CD1-CD2 3.91Å; F327-W359 AromaticContact CD1-CE3 3.45Å; F327-W359 HydrophobicContact CD1-CE3 3.45Å; F327-W359 VanDerWaalsContact CD1-CE3 3.45Å; F327-W359 HydrophobicContact CD1-CG 4.23Å; F327-W359 HydrophobicContact CD1-CZ3 4.11Å; F327-W359 HydrophobicContact CE1-CB 4.25Å; F327-W359 HydrophobicContact CE1-CE3 4.41Å; F327-W359 HydrophobicContact CG-CD2 4.13Å; F327-W359 AromaticContact CG-CE3 3.97Å; F327-W359 HydrophobicContact CG-CE3 3.97Å; F327-W359 HydrophobicContact CG-CG 4.47Å; F327-W359 HydrophobicContact CG-CZ3 4.45Å
328	R	96	Very high	94.8	Very high	156 Å²	156	63.3 Å²	63.3	59%	0.589	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.6	-176.4	-69.3	-179.6	178.2	83.3	-0.4	109.2	L311 V326	L311-R328 HydrophobicContact CD2-CG 3.69Å; V326-R328 HydrophobicContact CG1-CG 4.29Å
329	G	91.9	Very high	95.2	Very high	36 Å²	36	56.2 Å²	56.2	37%	0.371	27%	0.268	S	S	.	.			trans	-176	-29.3	179.9	0	0	0	0	0	114.6	K331	G329-K331 PolarHBondContact O-N 2.88Å
330	H	96.1	Very high	95.4	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.065	25%	0.251	C	S	.	.			trans	-63.7	133.4	171.9	-73.3	-70.6	0	0	0	111.2	K332 S349 S355	H330-K332 WeakPolarHBondContact CB-O 3.44Å; H330-S349 PolarHBondContact CE1-O 2.79Å; H330-S349 WeakPolarHBondContact NE2-CB 3.49Å; H330-S349 PolarHBondContact NE2-OG 2.87Å; H330-S355 PolarHBondContact ND1-OG 2.99Å
331	K	95	Very high	95.6	Very high	125 Å²	125	53 Å²	53	54%	0.543	25%	0.254	S	S	.	.	S	Bend	trans	-80	-26.2	178.2	-60.7	-173.9	-176.4	-178.9	0	112	H310 G329 E371	H310-K331 PolarHBondContact CE1-O 3.24Å; H310-K331 PolarHBondContact ND1-O 2.78Å; G329-K331 PolarHBondContact O-N 2.88Å; K331-E371 WeakPolarHBondContact CD-OE1 3.2Å; K331-E371 VanDerWaalsContact CE-CD 3.5Å; K331-E371 WeakPolarHBondContact CE-OE1 3.34Å; K331-E371 WeakPolarHBondContact CE-OE2 3.32Å; K331-E371 IonicContact NZ-OE1 2.73Å; K331-E371 PolarHBondContact NZ-OE1 2.93Å; K331-E371 IonicContact NZ-OE2 3.37Å; K331-E371 PolarHBondContact NZ-OE2 2.94Å
332	K	96.1	Very high	96	Very high	110 Å²	110	46.5 Å²	46.5	48%	0.478	23%	0.228	S	C	.	.	S	Bend	trans	-122.5	-168.9	172.1	-57.4	-168	-166.3	164.7	0	111.7	H310 H330 S352 D353	H310-K332 WeakPolarHBondContact CB-O 3.35Å; H310-K332 VanDerWaalsContact CG-C 3.42Å; H310-K332 VanDerWaalsContact CG-O 3.3Å; H330-K332 WeakPolarHBondContact CB-O 3.44Å; K332-S352 VanDerWaalsContact CB-OG 3.28Å; K332-S352 WeakPolarHBondContact CB-OG 3.44Å; K332-D353 HydrophobicContact CB-CB 4.33Å; K332-D353 HydrophobicContact CD-CB 3.77Å; K332-D353 HydrophobicContact CG-CB 3.99Å; K332-D353 PolarHBondContact N-OD2 2.86Å
333	E	96.2	Very high	96.3	Very high	46 Å²	46	41.4 Å²	41.4	22%	0.215	21%	0.205	C	C	.	.			trans	-49.1	135.7	177.2	-52.8	-176.3	163.5	0	0	112.2	R308 H310 T335 G351 S352	R308-E333 HydrophobicContact CB-CB 4.33Å; R308-E333 HydrophobicContact CB-CG 3.89Å; R308-E333 WeakPolarHBondContact CD-OE1 3.27Å; R308-E333 HydrophobicContact CG-CB 4.29Å; R308-E333 VanDerWaalsContact CG-CD 3.47Å; R308-E333 HydrophobicContact CG-CG 4.07Å; R308-E333 WeakPolarHBondContact CG-OE2 3.46Å; R308-E333 IonicContact CZ-OE2 2.64Å; R308-E333 IonicContact NE-OE2 3.59Å; R308-E333 IonicContact NH1-OE1 3.18Å; R308-E333 PolarHBondContact NH1-OE1 3.4Å; R308-E333 IonicContact NH1-OE2 2.98Å; R308-E333 PolarHBondContact NH1-OE2 2.77Å; H310-E333 PolarHBondContact CD2-N 3.48Å; H310-E333 VanDerWaalsContact CD2-N 3.28Å; E333-T335 HydrophobicContact CB-CG2 4.11Å; E333-G351 CarbonylContact O-C 3.59Å; E333-G351 VanDerWaalsContact O-CA 3.3Å; E333-G351 WeakPolarHBondContact O-CA 3.33Å; E333-S352 PolarHBondContact N-OG 3.05Å; E333-S352 PolarHBondContact O-N 2.98Å
334	A	97.2	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.5	169	0	0	0	0	0	108.6	A306 S307	A306-A334 HydrophobicContact CB-CB 4.1Å; S307-A334 CarbonylContact C-O 3.53Å; S307-A334 PolarHBondContact N-O 3.46Å; S307-A334 PolarHBondContact O-N 2.62Å; S307-A334 VanDerWaalsContact O-N 3.11Å
335	T	97.3	Very high	96.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-29.3	-161.2	52.7	0	0	0	0	114.5	M292 E333 G350 M377 I378	M292-T335 HydrophobicContact CE-CG2 4.47Å; E333-T335 HydrophobicContact CB-CG2 4.11Å; T335-G350 PolarHBondContact N-O 2.92Å; T335-G350 PolarHBondContact OG1-O 3.22Å; T335-G350 VanDerWaalsContact OG1-O 3.09Å; T335-M377 HydrophobicContact CG2-CE 3.36Å; T335-M377 HydrophobicContact CG2-CG 4.21Å; T335-M377 HydrophobicContact CG2-SD 4.4Å; T335-I378 WeakPolarHBondContact CB-O 3.4Å; T335-I378 PolarHBondContact OG1-O 2.9Å
336	A	97	Very high	96.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.2	179.7	0	0	0	0	0	110.6	E293 S349 G350 I378 L381	E293-A336 WeakPolarHBondContact OE2-CA 3.39Å; A336-S349 CarbonylContact O-C 3.54Å; A336-S349 VanDerWaalsContact O-CA 3.25Å; A336-S349 WeakPolarHBondContact O-CA 3.49Å; A336-G350 PolarHBondContact N-O 3.01Å; A336-G350 PolarHBondContact O-N 2.78Å; A336-I378 HydrophobicContact CB-CG2 4.32Å; A336-L381 HydrophobicContact CB-CD1 4.47Å; A336-L381 HydrophobicContact CB-CG 4.2Å
337	V	98.1	Very high	96.6	Very high	7 Å²	7	36 Å²	36	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135.7	-179.4	173.8	0	0	0	0	110.4	E293 L304 A306 F347 A348	E293-V337 PolarHBondContact OE2-N 3.06Å; L304-V337 HydrophobicContact CD2-CG1 3.36Å; L304-V337 HydrophobicContact CG-CG1 3.88Å; A306-V337 HydrophobicContact CB-CG2 3.44Å; A306-V337 VanDerWaalsContact CB-CG2 3.44Å; V337-F347 HydrophobicContact CG1-CD2 4.14Å; V337-A348 WeakPolarHBondContact CA-O 3.42Å
338	A	98.3	Very high	96.7	Very high	11 Å²	11	36 Å²	36	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	113.5	171.9	0	0	0	0	0	111.5	F347 A348 L381 W383	A338-F347 WeakPolarHBondContact O-CA 3.42Å; A338-F347 WeakPolarHBondContact O-CB 3.41Å; A338-A348 PolarHBondContact N-O 2.91Å; A338-A348 PolarHBondContact O-N 3.24Å; A338-L381 HydrophobicContact CB-CB 3.69Å; A338-W383 PolarHBondContact O-NE1 2.88Å
339	W	98.4	Very high	96.8	Very high	31 Å²	31	28.5 Å²	28.5	12%	0.117	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	138.2	164	-75.4	114.3	0	0	0	110.3	K295 W296 N297 W302 L304 L314 E344 F347	K295-W339 PolarHBondContact O-NE1 2.82Å; K295-W339 VanDerWaalsContact O-NE1 3.15Å; W296-W339 PolarHBondContact O-NE1 3.44Å; N297-W339 HydrophobicContact CB-CD2 4.29Å; N297-W339 HydrophobicContact CB-CH2 4.39Å; N297-W339 HydrophobicContact CB-CZ2 3.86Å; W302-W339 HydrophobicContact CB-CZ2 4.33Å; W302-W339 AromaticContact CE3-CH2 3.85Å; W302-W339 HydrophobicContact CE3-CH2 3.85Å; W302-W339 HydrophobicContact CE3-CZ3 4.39Å; L304-W339 HydrophobicContact CB-CZ2 3.53Å; L304-W339 HydrophobicContact CD2-CD2 4.1Å; L304-W339 HydrophobicContact CD2-CH2 4.2Å; L304-W339 HydrophobicContact CD2-CZ2 3.74Å; L304-W339 HydrophobicContact CG-CZ2 4.25Å; L314-W339 HydrophobicContact CD1-CH2 3.74Å; L314-W339 HydrophobicContact CD1-CZ2 3.84Å; W339-E344 VanDerWaalsContact CZ3-O 3.22Å; W339-E344 WeakPolarHBondContact CZ3-O 3.46Å; W339-F347 HydrophobicContact CD2-CB 4.31Å; W339-F347 HydrophobicContact CE3-CB 3.9Å; W339-F347 HydrophobicContact CE3-CD1 4.23Å; W339-F347 HydrophobicContact CE3-CG 4.48Å; W339-F347 HydrophobicContact CH2-CD1 4.33Å; W339-F347 HydrophobicContact CZ3-CB 4.41Å; W339-F347 AromaticContact CZ3-CD1 3.89Å; W339-F347 HydrophobicContact CZ3-CD1 3.89Å
340	H	98.1	Very high	97.1	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.023	13%	0.131	C	C	.	.			trans	-75.3	135.4	175.1	176.4	-84.3	0	0	0	110.1	A105 V342 H343 L346 W383 G387	A105-H340 VanDerWaalsContact CB-NE2 3.34Å; A105-H340 WeakPolarHBondContact CB-NE2 3.48Å; H340-V342 VanDerWaalsContact C-N 3.33Å; H340-V342 PolarHBondContact ND1-N 3.17Å; H340-V342 VanDerWaalsContact ND1-N 3.2Å; H340-V342 PolarHBondContact O-N 3.45Å; H340-H343 AromaticContact CE1-CD2 3.29Å; H340-H343 PolarHBondContact CE1-CD2 2.74Å; H340-H343 AromaticContact CE1-CG 3.97Å; H340-H343 PolarHBondContact CE1-N 3.47Å; H340-H343 AromaticContact ND1-CD2 3.62Å; H340-H343 AromaticContact ND1-CG 3.93Å; H340-H343 PolarHBondContact ND1-N 3.2Å; H340-H343 AromaticContact NE2-CD2 3.94Å; H340-L346 HydrophobicContact CB-CB 3.96Å; H340-L346 HydrophobicContact CB-CD2 4.04Å; H340-L346 HydrophobicContact CB-CG 4.18Å; H340-L346 WeakPolarHBondContact CB-O 3.44Å; H340-L346 PolarHBondContact N-O 3.37Å; H340-W383 HydrophobicContact CB-CZ2 4.21Å; H340-W383 AromaticContact CD2-CD2 3.87Å; H340-W383 AromaticContact CD2-CE3 3.66Å; H340-W383 AromaticContact CD2-CH2 3.8Å; H340-W383 AromaticContact CD2-CZ3 3.63Å; H340-G387 VanDerWaalsContact NE2-CA 3.27Å; H340-G387 WeakPolarHBondContact NE2-CA 3.38Å; H340-G387 PolarHBondContact NE2-O 2.84Å
341	P	96.5	Very high	97.1	Very high	50 Å²	50	26.1 Å²	26.1	33%	0.325	13%	0.128	S	C	.	.	S	Bend	trans	-71.6	-17.7	-167.2	25.7	-35.3	0	0	0	115.7	W383 P385	P341-W383 HydrophobicContact CG-CB 4.07Å; P341-P385 VanDerWaalsContact CG-O 3.27Å; P341-P385 WeakPolarHBondContact CG-O 3.25Å
342	V	96.3	Very high	97.2	Very high	43 Å²	43	21.4 Å²	21.4	26%	0.261	11%	0.111	S	C	.	.	S	Bend	trans	-112.5	-57.8	-178.4	-168.7	0	0	0	0	112.6	L96 L99 H340 E344	L96-V342 HydrophobicContact CB-CG1 4.29Å; L96-V342 HydrophobicContact CD1-CG1 3.82Å; L99-V342 HydrophobicContact CD1-CG1 3.96Å; H340-V342 VanDerWaalsContact C-N 3.33Å; H340-V342 PolarHBondContact ND1-N 3.17Å; H340-V342 VanDerWaalsContact ND1-N 3.2Å; H340-V342 PolarHBondContact O-N 3.45Å; V342-E344 PolarHBondContact O-N 3.1Å
343	H	96.6	Very high	97.2	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.019	9%	0.094	C	C	.	.			trans	-72.3	105.6	172.2	-54.3	-65.8	0	0	0	112.1	P95 M98 L99 P102 H340 G345 L346	P95-H343 PolarHBondContact O-CE1 3.44Å; M98-H343 PolarHBondContact O-CE1 3.42Å; L99-H343 PolarHBondContact O-ND1 3.24Å; P102-H343 HydrophobicContact CB-CB 3.99Å; P102-H343 HydrophobicContact CG-CB 4.28Å; H340-H343 AromaticContact CE1-CD2 3.29Å; H340-H343 PolarHBondContact CE1-CD2 2.74Å; H340-H343 AromaticContact CE1-CG 3.97Å; H340-H343 PolarHBondContact CE1-N 3.47Å; H340-H343 AromaticContact ND1-CD2 3.62Å; H340-H343 AromaticContact ND1-CG 3.93Å; H340-H343 PolarHBondContact ND1-N 3.2Å; H340-H343 AromaticContact NE2-CD2 3.94Å; H343-G345 PolarHBondContact O-N 2.75Å; H343-G345 VanDerWaalsContact O-N 3.12Å; H343-L346 HydrophobicContact CB-CB 3.96Å; H343-L346 PolarHBondContact O-N 3.2Å
344	E	96.1	Very high	97.1	Very high	109 Å²	109	15 Å²	15	51%	0.509	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.6	-176	70.6	173.1	148.6	0	0	115	N297 N299 W339 V342	N297-E344 PolarHBondContact ND2-O 2.99Å; N299-E344 PolarHBondContact ND2-OE2 3.32Å; W339-E344 VanDerWaalsContact CZ3-O 3.22Å; W339-E344 WeakPolarHBondContact CZ3-O 3.46Å; V342-E344 PolarHBondContact O-N 3.1Å
345	G	95.6	Very high	97.1	Very high	5 Å²	5	15.2 Å²	15.2	5%	0.052	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.3	-176	0	0	0	0	0	114.3	H343 H360 A361	H343-G345 PolarHBondContact O-N 2.75Å; H343-G345 VanDerWaalsContact O-N 3.12Å; G345-H360 VanDerWaalsContact C-ND1 3.27Å; G345-H360 CarbonylContact O-C 3.54Å; G345-H360 VanDerWaalsContact O-CA 3.28Å; G345-H360 WeakPolarHBondContact O-CA 3.28Å; G345-H360 PolarHBondContact O-ND1 2.98Å; G345-A361 PolarHBondContact O-N 2.9Å
346	L	97.6	Very high	97.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.3	-177.9	-174.8	77	0	0	0	110	P102 A105 V106 H340 H343 W359	P102-L346 HydrophobicContact CB-CB 4.33Å; A105-L346 HydrophobicContact CB-CD2 3.71Å; V106-L346 HydrophobicContact CG2-CD1 4.42Å; H340-L346 HydrophobicContact CB-CB 3.96Å; H340-L346 HydrophobicContact CB-CD2 4.04Å; H340-L346 HydrophobicContact CB-CG 4.18Å; H340-L346 WeakPolarHBondContact CB-O 3.44Å; H340-L346 PolarHBondContact N-O 3.37Å; H343-L346 HydrophobicContact CB-CB 3.96Å; H343-L346 PolarHBondContact O-N 3.2Å; L346-W359 WeakPolarHBondContact CA-O 3.47Å; L346-W359 WeakPolarHBondContact CD1-O 3.39Å
347	F	98.2	Very high	97.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.8	168.5	66.9	-89.8	0	0	0	111.6	L304 F327 V337 A338 W339 W359	L304-F347 HydrophobicContact CD1-CE1 4.17Å; L304-F347 HydrophobicContact CD1-CE2 4.17Å; L304-F347 HydrophobicContact CD1-CZ 3.85Å; L304-F347 HydrophobicContact CD2-CB 4.09Å; L304-F347 HydrophobicContact CD2-CD1 3.68Å; L304-F347 HydrophobicContact CD2-CD2 3.61Å; L304-F347 HydrophobicContact CD2-CE1 3.91Å; L304-F347 HydrophobicContact CD2-CE2 3.83Å; L304-F347 HydrophobicContact CD2-CG 3.52Å; L304-F347 HydrophobicContact CD2-CZ 3.98Å; F327-F347 HydrophobicContact CD1-CZ 4.23Å; F327-F347 HydrophobicContact CD2-CE1 4.23Å; F327-F347 AromaticContact CD2-CZ 3.59Å; F327-F347 HydrophobicContact CD2-CZ 3.59Å; F327-F347 HydrophobicContact CE1-CE1 4.09Å; F327-F347 HydrophobicContact CE1-CZ 4.13Å; F327-F347 AromaticContact CE2-CE1 3.64Å; F327-F347 HydrophobicContact CE2-CE1 3.64Å; F327-F347 AromaticContact CE2-CZ 3.48Å; F327-F347 HydrophobicContact CE2-CZ 3.48Å; F327-F347 VanDerWaalsContact CE2-CZ 3.48Å; F327-F347 AromaticContact CG-CZ 3.97Å; F327-F347 HydrophobicContact CG-CZ 3.97Å; F327-F347 AromaticContact CZ-CE1 3.57Å; F327-F347 HydrophobicContact CZ-CE1 3.57Å; F327-F347 AromaticContact CZ-CZ 3.78Å; F327-F347 HydrophobicContact CZ-CZ 3.78Å; V337-F347 HydrophobicContact CG1-CD2 4.14Å; A338-F347 WeakPolarHBondContact O-CA 3.42Å; A338-F347 WeakPolarHBondContact O-CB 3.41Å; W339-F347 HydrophobicContact CD2-CB 4.31Å; W339-F347 HydrophobicContact CE3-CB 3.9Å; W339-F347 HydrophobicContact CE3-CD1 4.23Å; W339-F347 HydrophobicContact CE3-CG 4.48Å; W339-F347 HydrophobicContact CH2-CD1 4.33Å; W339-F347 HydrophobicContact CZ3-CB 4.41Å; W339-F347 AromaticContact CZ3-CD1 3.89Å; W339-F347 HydrophobicContact CZ3-CD1 3.89Å; F347-W359 HydrophobicContact CD1-CB 4.03Å; F347-W359 HydrophobicContact CD2-CB 4.15Å; F347-W359 AromaticContact CD2-CD1 3.92Å; F347-W359 HydrophobicContact CD2-CG 4.38Å; F347-W359 HydrophobicContact CE1-CB 3.51Å; F347-W359 HydrophobicContact CE1-CG 4.32Å; F347-W359 HydrophobicContact CE2-CB 3.65Å; F347-W359 AromaticContact CE2-CD1 3.31Å; F347-W359 AromaticContact CE2-CG 3.65Å; F347-W359 HydrophobicContact CE2-CG 3.65Å; F347-W359 HydrophobicContact CG-CB 4.32Å; F347-W359 HydrophobicContact CZ-CB 3.29Å; F347-W359 AromaticContact CZ-CD1 3.78Å; F347-W359 AromaticContact CZ-CG 3.61Å; F347-W359 HydrophobicContact CZ-CG 3.61Å; F347-W359 PolarHBondContact N-O 3.25Å; F347-W359 PolarHBondContact O-N 3.28Å
348	A	98.3	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.6	170.2	0	0	0	0	0	110.2	V337 A338 L356 L357 F358 L381 W383 L390	V337-A348 WeakPolarHBondContact CA-O 3.42Å; A338-A348 PolarHBondContact N-O 2.91Å; A338-A348 PolarHBondContact O-N 3.24Å; A348-L356 HydrophobicContact CB-CD1 4.45Å; A348-L357 CarbonylContact C-O 3.44Å; A348-L357 WeakPolarHBondContact CA-O 3.17Å; A348-F358 HydrophobicContact CB-CD1 3.88Å; A348-F358 HydrophobicContact CB-CE1 3.82Å; A348-L381 HydrophobicContact CB-CD1 4.03Å; A348-W383 HydrophobicContact CB-CZ2 3.89Å; A348-L390 HydrophobicContact CB-CD2 3.56Å
349	S	98.2	Very high	97.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.7	174.3	64.4	0	0	0	0	111.9	H330 A336 L357 W359	H330-S349 PolarHBondContact CE1-O 2.79Å; H330-S349 WeakPolarHBondContact NE2-CB 3.49Å; H330-S349 PolarHBondContact NE2-OG 2.87Å; A336-S349 CarbonylContact O-C 3.54Å; A336-S349 VanDerWaalsContact O-CA 3.25Å; A336-S349 WeakPolarHBondContact O-CA 3.49Å; S349-L357 PolarHBondContact N-O 2.93Å; S349-L357 PolarHBondContact O-N 2.95Å; S349-W359 PolarHBondContact OG-NE1 2.91Å
350	G	97.8	Very high	97	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141	178.5	0	0	0	0	0	111.4	T335 A336 S355	T335-G350 PolarHBondContact N-O 2.92Å; T335-G350 PolarHBondContact OG1-O 3.22Å; T335-G350 VanDerWaalsContact OG1-O 3.09Å; A336-G350 PolarHBondContact N-O 3.01Å; A336-G350 PolarHBondContact O-N 2.78Å; G350-S355 CarbonylContact C-O 3.55Å; G350-S355 WeakPolarHBondContact CA-O 3.4Å
351	G	97.1	Very high	96.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	163.3	178.3	0	0	0	0	0	114.3	E333 D353 G354 S355 I378	E333-G351 CarbonylContact O-C 3.59Å; E333-G351 VanDerWaalsContact O-CA 3.3Å; E333-G351 WeakPolarHBondContact O-CA 3.33Å; G351-D353 PolarHBondContact O-N 3.15Å; G351-G354 PolarHBondContact O-N 2.84Å; G351-S355 PolarHBondContact N-O 2.93Å; G351-I378 PolarHBondContact O-N 2.83Å; G351-I378 VanDerWaalsContact O-N 3.16Å
352	S	96.9	Very high	96.8	Very high	26 Å²	26	17.3 Å²	17.3	18%	0.182	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.2	175.4	68.8	0	0	0	0	114.7	K332 E333 M377	K332-S352 VanDerWaalsContact CB-OG 3.28Å; K332-S352 WeakPolarHBondContact CB-OG 3.44Å; E333-S352 PolarHBondContact N-OG 3.05Å; E333-S352 PolarHBondContact O-N 2.98Å; S352-M377 WeakPolarHBondContact O-CA 3.34Å; S352-M377 PolarHBondContact O-N 2.71Å
353	D	94.9	Very high	96.7	Very high	22 Å²	22	17.9 Å²	17.9	12%	0.118	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.8	168.7	45.8	18.2	0	0	0	114.1	K332 G351 S355	K332-D353 HydrophobicContact CB-CB 4.33Å; K332-D353 HydrophobicContact CD-CB 3.77Å; K332-D353 HydrophobicContact CG-CB 3.99Å; K332-D353 PolarHBondContact N-OD2 2.86Å; G351-D353 PolarHBondContact O-N 3.15Å; D353-S355 WeakPolarHBondContact OD1-CB 3.4Å; D353-S355 PolarHBondContact OD1-N 3.42Å; D353-S355 PolarHBondContact OD1-OG 3.03Å
354	G	95.4	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	90.5	7.6	-171.6	0	0	0	0	0	114	G351 A373 H374 G376	G351-G354 PolarHBondContact O-N 2.84Å; G354-A373 WeakPolarHBondContact O-CB 3.43Å; G354-A373 PolarHBondContact O-N 3.22Å; G354-H374 PolarHBondContact O-N 2.84Å; G354-G376 WeakPolarHBondContact CA-O 3.31Å
355	S	96.4	Very high	96.3	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.028	16%	0.159	C	C	.	.			trans	-70.3	141.4	172.8	62.1	0	0	0	0	112.1	H330 G350 G351 D353 M370 E371 I378	H330-S355 PolarHBondContact ND1-OG 2.99Å; G350-S355 CarbonylContact C-O 3.55Å; G350-S355 WeakPolarHBondContact CA-O 3.4Å; G351-S355 PolarHBondContact N-O 2.93Å; D353-S355 WeakPolarHBondContact OD1-CB 3.4Å; D353-S355 PolarHBondContact OD1-N 3.42Å; D353-S355 PolarHBondContact OD1-OG 3.03Å; S355-M370 WeakPolarHBondContact CA-O 3.39Å; S355-E371 VanDerWaalsContact CA-O 3.26Å; S355-E371 WeakPolarHBondContact CA-O 3.43Å; S355-E371 PolarHBondContact N-O 2.86Å; S355-I378 WeakPolarHBondContact O-CD1 3.27Å
356	L	97.4	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	113.6	174.3	-180	60.2	0	0	0	108.9	A348 F358 G369 M370 A373 I378 L381 L390 W402	A348-L356 HydrophobicContact CB-CD1 4.45Å; L356-F358 HydrophobicContact CD2-CZ 4.39Å; L356-F358 HydrophobicContact CG-CE2 4.37Å; L356-F358 HydrophobicContact CG-CZ 4.45Å; L356-G369 CarbonylContact O-C 3.58Å; L356-G369 WeakPolarHBondContact O-CA 3.4Å; L356-M370 PolarHBondContact N-O 3.5Å; L356-M370 PolarHBondContact O-N 3.13Å; L356-A373 HydrophobicContact CB-CB 3.7Å; L356-I378 HydrophobicContact CB-CD1 4.13Å; L356-I378 HydrophobicContact CD1-CD1 4.48Å; L356-L381 HydrophobicContact CD1-CD1 3.91Å; L356-L381 HydrophobicContact CD1-CD2 3.71Å; L356-L381 HydrophobicContact CD1-CG 4.49Å; L356-L390 HydrophobicContact CD1-CD2 4.21Å; L356-L390 HydrophobicContact CD2-CD2 4.21Å; L356-W402 HydrophobicContact CD2-CD2 4.49Å; L356-W402 HydrophobicContact CD2-CG 4.33Å
357	L	97.6	Very high	96.1	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.3	-176	-57.9	-177.9	0	0	0	111	A348 S349 W359	A348-L357 CarbonylContact C-O 3.44Å; A348-L357 WeakPolarHBondContact CA-O 3.17Å; S349-L357 PolarHBondContact N-O 2.93Å; S349-L357 PolarHBondContact O-N 2.95Å; L357-W359 HydrophobicContact CB-CZ2 4.22Å; L357-W359 HydrophobicContact CD1-CZ2 3.71Å
358	F	98	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136	176	-62.3	-88.6	0	0	0	110.2	V106 T107 T108 A348 L356 V367 G368 W383 L390	V106-F358 HydrophobicContact CG1-CB 4.38Å; V106-F358 HydrophobicContact CG1-CD2 3.93Å; V106-F358 HydrophobicContact CG1-CE2 4.4Å; V106-F358 HydrophobicContact CG1-CG 4.1Å; V106-F358 HydrophobicContact CG2-CB 4.35Å; T107-F358 WeakPolarHBondContact O-CZ 3.45Å; T107-F358 VanDerWaalsContact OG1-CE1 3.31Å; T107-F358 WeakPolarHBondContact OG1-CE1 3.43Å; T107-F358 VanDerWaalsContact OG1-CZ 3.22Å; T107-F358 WeakPolarHBondContact OG1-CZ 3.43Å; T108-F358 HydrophobicContact CG2-CD2 4.26Å; T108-F358 HydrophobicContact CG2-CE2 3.93Å; A348-F358 HydrophobicContact CB-CD1 3.88Å; A348-F358 HydrophobicContact CB-CE1 3.82Å; L356-F358 HydrophobicContact CD2-CZ 4.39Å; L356-F358 HydrophobicContact CG-CE2 4.37Å; L356-F358 HydrophobicContact CG-CZ 4.45Å; F358-V367 PolarHBondContact O-N 3.47Å; F358-G368 PolarHBondContact N-O 2.98Å; F358-W383 HydrophobicContact CD1-CH2 4.08Å; F358-W383 HydrophobicContact CD1-CZ2 4.14Å; F358-W383 AromaticContact CE1-CH2 3.63Å; F358-W383 HydrophobicContact CE1-CH2 3.63Å; F358-W383 AromaticContact CE1-CZ2 3.88Å; F358-W383 HydrophobicContact CE1-CZ2 3.88Å; F358-L390 HydrophobicContact CE1-CD2 3.66Å; F358-L390 HydrophobicContact CZ-CD2 3.8Å
359	W	97.9	Very high	95.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.4	-171.8	-59.4	95.4	0	0	0	111.1	F327 L346 F347 S349 L357 E366	F327-W359 HydrophobicContact CB-CD2 3.91Å; F327-W359 HydrophobicContact CB-CE3 3.75Å; F327-W359 HydrophobicContact CB-CH2 4.07Å; F327-W359 HydrophobicContact CB-CZ2 4.21Å; F327-W359 HydrophobicContact CB-CZ3 3.81Å; F327-W359 HydrophobicContact CD1-CB 4.18Å; F327-W359 AromaticContact CD1-CD2 3.91Å; F327-W359 HydrophobicContact CD1-CD2 3.91Å; F327-W359 AromaticContact CD1-CE3 3.45Å; F327-W359 HydrophobicContact CD1-CE3 3.45Å; F327-W359 VanDerWaalsContact CD1-CE3 3.45Å; F327-W359 HydrophobicContact CD1-CG 4.23Å; F327-W359 HydrophobicContact CD1-CZ3 4.11Å; F327-W359 HydrophobicContact CE1-CB 4.25Å; F327-W359 HydrophobicContact CE1-CE3 4.41Å; F327-W359 HydrophobicContact CG-CD2 4.13Å; F327-W359 AromaticContact CG-CE3 3.97Å; F327-W359 HydrophobicContact CG-CE3 3.97Å; F327-W359 HydrophobicContact CG-CG 4.47Å; F327-W359 HydrophobicContact CG-CZ3 4.45Å; L346-W359 WeakPolarHBondContact CA-O 3.47Å; L346-W359 WeakPolarHBondContact CD1-O 3.39Å; F347-W359 HydrophobicContact CD1-CB 4.03Å; F347-W359 HydrophobicContact CD2-CB 4.15Å; F347-W359 AromaticContact CD2-CD1 3.92Å; F347-W359 HydrophobicContact CD2-CG 4.38Å; F347-W359 HydrophobicContact CE1-CB 3.51Å; F347-W359 HydrophobicContact CE1-CG 4.32Å; F347-W359 HydrophobicContact CE2-CB 3.65Å; F347-W359 AromaticContact CE2-CD1 3.31Å; F347-W359 AromaticContact CE2-CG 3.65Å; F347-W359 HydrophobicContact CE2-CG 3.65Å; F347-W359 HydrophobicContact CG-CB 4.32Å; F347-W359 HydrophobicContact CZ-CB 3.29Å; F347-W359 AromaticContact CZ-CD1 3.78Å; F347-W359 AromaticContact CZ-CG 3.61Å; F347-W359 HydrophobicContact CZ-CG 3.61Å; F347-W359 PolarHBondContact N-O 3.25Å; F347-W359 PolarHBondContact O-N 3.28Å; S349-W359 PolarHBondContact OG-NE1 2.91Å; L357-W359 HydrophobicContact CB-CZ2 4.22Å; L357-W359 HydrophobicContact CD1-CZ2 3.71Å; W359-E366 HydrophobicContact CD2-CB 4.35Å; W359-E366 HydrophobicContact CE3-CB 4.08Å; W359-E366 HydrophobicContact CH2-CB 3.8Å; W359-E366 HydrophobicContact CZ2-CB 4.09Å; W359-E366 HydrophobicContact CZ3-CB 3.82Å
360	H	97.1	Very high	95.3	Very high	44 Å²	44	36.3 Å²	36.3	20%	0.204	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.3	171.4	-166.3	50.4	0	0	0	110.8	M103 G345 G362 V363 V367	M103-H360 HydrophobicContact CE-CB 4.05Å; G345-H360 VanDerWaalsContact C-ND1 3.27Å; G345-H360 CarbonylContact O-C 3.54Å; G345-H360 VanDerWaalsContact O-CA 3.28Å; G345-H360 WeakPolarHBondContact O-CA 3.28Å; G345-H360 PolarHBondContact O-ND1 2.98Å; H360-G362 PolarHBondContact O-N 2.97Å; H360-V363 HydrophobicContact CB-CB 4.26Å; H360-V363 HydrophobicContact CB-CG2 3.93Å; H360-V363 PolarHBondContact O-N 2.91Å; H360-V367 HydrophobicContact CB-CG2 3.85Å
361	A	95.3	Very high	94.9	Very high	18 Å²	18	40 Å²	40	15%	0.149	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	128.3	172.9	0	0	0	0	0	110	W302 L314 G345	W302-A361 HydrophobicContact CH2-CB 4.14Å; W302-A361 HydrophobicContact CZ3-CB 3.97Å; L314-A361 HydrophobicContact CD2-CB 4.19Å; G345-A361 PolarHBondContact O-N 2.9Å
362	G	93.5	Very high	94.6	Very high	71 Å²	71	45.6 Å²	45.6	73%	0.732	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-5.5	-172.7	0	0	0	0	0	115.4	H360	H360-G362 PolarHBondContact O-N 2.97Å
363	V	95.6	Very high	94.4	Very high	55 Å²	55	44.4 Å²	44.4	33%	0.333	25%	0.251	S	S	.	.			trans	-108.6	117.2	172.5	-175.1	0	0	0	0	109.2	Q325 H360 K365	Q325-V363 VanDerWaalsContact NE2-C 3.29Å; Q325-V363 PolarHBondContact NE2-O 2.92Å; H360-V363 HydrophobicContact CB-CB 4.26Å; H360-V363 HydrophobicContact CB-CG2 3.93Å; H360-V363 PolarHBondContact O-N 2.91Å; V363-K365 VanDerWaalsContact C-N 3.34Å; V363-K365 WeakPolarHBondContact CG1-O 3.26Å; V363-K365 PolarHBondContact O-N 2.9Å
364	E	91.1	Very high	94.4	Very high	167 Å²	167	43.4 Å²	43.4	78%	0.78	25%	0.245	S	C	*	.	S	Bend	trans	-65.6	-33	-172.5	-64.2	-171.5	157.6	0	0	114.3
365	K	93.3	Very high	94.4	Very high	155 Å²	155	52.4 Å²	52.4	67%	0.674	29%	0.288	S	S	*	.	S	Bend	trans	-98.7	161.2	179.1	-68.2	-169.2	175.1	-172.5	0	111.8	V363	V363-K365 VanDerWaalsContact C-N 3.34Å; V363-K365 WeakPolarHBondContact CG1-O 3.26Å; V363-K365 PolarHBondContact O-N 2.9Å
366	E	94.8	Very high	94.3	Very high	84 Å²	84	52.9 Å²	52.9	39%	0.393	29%	0.293	S	S	.	.			trans	-56.8	136.4	167.6	66.2	-74.3	-177.8	0	0	110.2	W359 G368	W359-E366 HydrophobicContact CD2-CB 4.35Å; W359-E366 HydrophobicContact CE3-CB 4.08Å; W359-E366 HydrophobicContact CH2-CB 3.8Å; W359-E366 HydrophobicContact CZ2-CB 4.09Å; W359-E366 HydrophobicContact CZ3-CB 3.82Å; E366-G368 VanDerWaalsContact C-N 3.31Å
367	V	94.2	Very high	94.3	Very high	47 Å²	47	54.3 Å²	54.3	29%	0.285	30%	0.3	S	S	.	.	S	Bend	trans	-71.8	-34.8	177.9	174	0	0	0	0	110.3	M103 V106 F358 H360	M103-V367 HydrophobicContact CE-CG1 4.11Å; M103-V367 HydrophobicContact CE-CG2 3.87Å; M103-V367 HydrophobicContact CG-CG1 4.31Å; M103-V367 HydrophobicContact SD-CB 4.35Å; M103-V367 HydrophobicContact SD-CG1 3.39Å; M103-V367 WeakPolarHBondContact SD-CG1 3.3Å; M103-V367 HydrophobicContact SD-CG2 3.97Å; V106-V367 HydrophobicContact CG2-CG1 3.72Å; F358-V367 PolarHBondContact O-N 3.47Å; H360-V367 HydrophobicContact CB-CG2 3.85Å
368	G	91.1	Very high	94.3	Very high	23 Å²	23	53.6 Å²	53.6	24%	0.237	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	170.5	-178.2	0	0	0	0	0	109	F358 E366	F358-G368 PolarHBondContact N-O 2.98Å; E366-G368 VanDerWaalsContact C-N 3.31Å
369	G	91.4	Very high	94.3	Very high	29 Å²	29	56.6 Å²	56.6	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	165.5	176.9	-177	0	0	0	0	0	111.5	L356	L356-G369 CarbonylContact O-C 3.58Å; L356-G369 WeakPolarHBondContact O-CA 3.4Å
370	M	93.5	Very high	94.3	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	119.6	-174.3	-57.8	129.5	62	0	0	108.1	T108 S355 L356 A373 W402 Y415	T108-M370 HydrophobicContact CG2-CG 4.32Å; T108-M370 HydrophobicContact CG2-SD 3.91Å; S355-M370 WeakPolarHBondContact CA-O 3.39Å; L356-M370 PolarHBondContact N-O 3.5Å; L356-M370 PolarHBondContact O-N 3.13Å; M370-A373 HydrophobicContact CB-CB 4.11Å; M370-A373 HydrophobicContact CE-CB 3.84Å; M370-W402 HydrophobicContact CE-CD2 3.92Å; M370-W402 HydrophobicContact CE-CE3 3.32Å; M370-W402 HydrophobicContact CE-CH2 3.38Å; M370-W402 HydrophobicContact CE-CZ2 3.95Å; M370-W402 HydrophobicContact CE-CZ3 3.04Å; M370-W402 HydrophobicContact SD-CE3 4.48Å; M370-Y415 HydrophobicContact CE-CD1 4.28Å; M370-Y415 HydrophobicContact CE-CG 4.02Å; M370-Y415 WeakPolarHBondContact CG-O 3.33Å
371	E	90.4	Very high	94.4	Very high	76 Å²	76	54.6 Å²	54.6	36%	0.355	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-34.6	-174.3	-171.1	175.9	156	0	0	112.6	K331 S355	K331-E371 WeakPolarHBondContact CD-OE1 3.2Å; K331-E371 VanDerWaalsContact CE-CD 3.5Å; K331-E371 WeakPolarHBondContact CE-OE1 3.34Å; K331-E371 WeakPolarHBondContact CE-OE2 3.32Å; K331-E371 IonicContact NZ-OE1 2.73Å; K331-E371 PolarHBondContact NZ-OE1 2.93Å; K331-E371 IonicContact NZ-OE2 3.37Å; K331-E371 PolarHBondContact NZ-OE2 2.94Å; S355-E371 VanDerWaalsContact CA-O 3.26Å; S355-E371 WeakPolarHBondContact CA-O 3.43Å; S355-E371 PolarHBondContact N-O 2.86Å
372	M	89.9	Confident	94.5	Very high	119 Å²	119	54 Å²	54	59%	0.586	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	45.7	-178.8	-63.8	-69	171.5	0	0	111.1	H374 Y415	M372-H374 PolarHBondContact O-N 2.75Å; M372-Y415 WeakPolarHBondContact O-CD1 3.04Å; M372-Y415 WeakPolarHBondContact O-CE1 3.08Å
373	A	92.9	Very high	94.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-62.9	-35.6	177.5	0	0	0	0	0	111.4	G354 L356 M370 K400 W402	G354-A373 WeakPolarHBondContact O-CB 3.43Å; G354-A373 PolarHBondContact O-N 3.22Å; L356-A373 HydrophobicContact CB-CB 3.7Å; M370-A373 HydrophobicContact CB-CB 4.11Å; M370-A373 HydrophobicContact CE-CB 3.84Å; A373-K400 WeakPolarHBondContact O-CD 3.35Å; A373-K400 WeakPolarHBondContact O-CE 3.44Å; A373-K400 PolarHBondContact O-NZ 3.15Å; A373-W402 HydrophobicContact CB-CH2 4.14Å; A373-W402 HydrophobicContact CB-CZ2 3.97Å
374	H	95.9	Very high	94.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.248	C	C	.	.			trans	-131.4	161.5	173.9	-81.7	-88	0	0	0	111.1	G354 M372 G376 I378 S392 S394 D396 T398	G354-H374 PolarHBondContact O-N 2.84Å; M372-H374 PolarHBondContact O-N 2.75Å; H374-G376 VanDerWaalsContact C-N 3.32Å; H374-G376 WeakPolarHBondContact CB-O 3.27Å; H374-I378 HydrophobicContact CB-CG1 4.35Å; H374-S392 PolarHBondContact CD2-OG 3Å; H374-S392 PolarHBondContact NE2-OG 3.36Å; H374-S394 WeakPolarHBondContact ND1-CB 3.49Å; H374-D396 WeakPolarHBondContact CB-OD2 3.36Å; H374-D396 IonicContact CE1-OD2 2.78Å; H374-D396 IonicContact CG-OD2 3.37Å; H374-D396 IonicContact ND1-OD1 3.36Å; H374-D396 PolarHBondContact ND1-OD1 3.08Å; H374-D396 IonicContact ND1-OD2 3.86Å; H374-D396 PolarHBondContact ND1-OD2 3.48Å; H374-T398 PolarHBondContact CE1-OG1 3.29Å; H374-T398 VanDerWaalsContact CE1-OG1 3.32Å; H374-T398 PolarHBondContact ND1-OG1 3.24Å
375	E	94.6	Very high	95.2	Very high	190 Å²	190	43.5 Å²	43.5	89%	0.888	23%	0.225	S	C	*	.	S	Bend	trans	-87	-6.4	173	-67	-167.7	-174.4	0	0	112.7	D396	E375-D396 HydrophobicContact CB-CB 4.41Å; E375-D396 PolarHBondContact N-OD2 2.97Å
376	G	95.2	Very high	95.3	Very high	14 Å²	14	38.9 Å²	38.9	14%	0.144	21%	0.208	C	C	.	.	S	Bend	trans	-143.5	166.2	178.4	0	0	0	0	0	113	G354 H374 I378 S394	G354-G376 WeakPolarHBondContact CA-O 3.31Å; H374-G376 VanDerWaalsContact C-N 3.32Å; H374-G376 WeakPolarHBondContact CB-O 3.27Å; G376-I378 PolarHBondContact O-N 3.47Å; G376-S394 PolarHBondContact O-OG 3.19Å
377	M	97.3	Very high	95.4	Very high	30 Å²	30	34.9 Å²	34.9	15%	0.148	19%	0.189	C	C	.	.			trans	-40.5	126.5	177.8	176.2	172.2	-173.7	0	0	113.3	M292 T335 S352 W379 S394 N395	M292-M377 HydrophobicContact CE-CE 3.9Å; T335-M377 HydrophobicContact CG2-CE 3.36Å; T335-M377 HydrophobicContact CG2-CG 4.21Å; T335-M377 HydrophobicContact CG2-SD 4.4Å; S352-M377 WeakPolarHBondContact O-CA 3.34Å; S352-M377 PolarHBondContact O-N 2.71Å; M377-W379 HydrophobicContact CE-CD2 4.38Å; M377-W379 HydrophobicContact CE-CE3 3.86Å; M377-W379 HydrophobicContact CE-CH2 3.47Å; M377-W379 VanDerWaalsContact CE-CH2 3.47Å; M377-W379 HydrophobicContact CE-CZ2 4.03Å; M377-W379 HydrophobicContact CE-CZ3 3.38Å; M377-W379 HydrophobicContact CG-CD2 4.43Å; M377-W379 HydrophobicContact CG-CZ2 4.47Å; M377-W379 HydrophobicContact SD-CD2 4.48Å; M377-W379 HydrophobicContact SD-CH2 3.71Å; M377-W379 HydrophobicContact SD-CZ2 3.67Å; M377-W379 HydrophobicContact SD-CZ3 4.16Å; M377-S394 WeakPolarHBondContact O-CA 3.42Å; M377-S394 PolarHBondContact O-OG 3.01Å; M377-N395 HydrophobicContact CB-CB 4.27Å; M377-N395 PolarHBondContact O-N 3.44Å
378	I	98.2	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.2	173.2	-59.8	-179.9	0	0	0	108	T335 A336 G351 S355 L356 H374 G376 L381	T335-I378 WeakPolarHBondContact CB-O 3.4Å; T335-I378 PolarHBondContact OG1-O 2.9Å; A336-I378 HydrophobicContact CB-CG2 4.32Å; G351-I378 PolarHBondContact O-N 2.83Å; G351-I378 VanDerWaalsContact O-N 3.16Å; S355-I378 WeakPolarHBondContact O-CD1 3.27Å; L356-I378 HydrophobicContact CB-CD1 4.13Å; L356-I378 HydrophobicContact CD1-CD1 4.48Å; H374-I378 HydrophobicContact CB-CG1 4.35Å; G376-I378 PolarHBondContact O-N 3.47Å; I378-L381 HydrophobicContact CG2-CD2 3.9Å; I378-L381 HydrophobicContact CG2-CG 4.17Å
379	W	97.8	Very high	95.9	Very high	63 Å²	63	31.8 Å²	31.8	24%	0.239	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-31	-178.5	-74.6	114.2	0	0	0	113.3	F123 M292 M377 G393 N395	F123-W379 HydrophobicContact CD1-CB 4.46Å; F123-W379 AromaticContact CD1-CD1 3.61Å; F123-W379 AromaticContact CD1-CD2 3.8Å; F123-W379 HydrophobicContact CD1-CD2 3.8Å; F123-W379 AromaticContact CD1-CE2 3.74Å; F123-W379 AromaticContact CD1-CG 3.74Å; F123-W379 HydrophobicContact CD1-CG 3.74Å; F123-W379 HydrophobicContact CD1-CZ2 4.42Å; F123-W379 AromaticContact CD1-NE1 3.6Å; F123-W379 AromaticContact CE1-CD1 3.95Å; F123-W379 HydrophobicContact CE1-CD2 4.18Å; F123-W379 AromaticContact CE1-CE2 3.62Å; F123-W379 HydrophobicContact CE1-CG 4.38Å; F123-W379 AromaticContact CE1-CZ2 3.99Å; F123-W379 HydrophobicContact CE1-CZ2 3.99Å; F123-W379 AromaticContact CE1-NE1 3.46Å; F123-W379 WeakPolarHBondContact O-CB 3.47Å; M292-W379 HydrophobicContact CE-CZ3 4.38Å; M377-W379 HydrophobicContact CE-CD2 4.38Å; M377-W379 HydrophobicContact CE-CE3 3.86Å; M377-W379 HydrophobicContact CE-CH2 3.47Å; M377-W379 VanDerWaalsContact CE-CH2 3.47Å; M377-W379 HydrophobicContact CE-CZ2 4.03Å; M377-W379 HydrophobicContact CE-CZ3 3.38Å; M377-W379 HydrophobicContact CG-CD2 4.43Å; M377-W379 HydrophobicContact CG-CZ2 4.47Å; M377-W379 HydrophobicContact SD-CD2 4.48Å; M377-W379 HydrophobicContact SD-CH2 3.71Å; M377-W379 HydrophobicContact SD-CZ2 3.67Å; M377-W379 HydrophobicContact SD-CZ3 4.16Å; W379-G393 PolarHBondContact N-O 3.41Å; W379-N395 PolarHBondContact NE1-OD1 2.84Å
380	S	97.6	Very high	96.2	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	147.2	-174.7	-173.9	0	0	0	0	111.4	F123 I125 G393	F123-S380 VanDerWaalsContact O-CB 3.3Å; F123-S380 WeakPolarHBondContact O-CB 3.46Å; I125-S380 WeakPolarHBondContact CD1-O 3.49Å; I125-S380 PolarHBondContact N-OG 2.9Å; S380-G393 PolarHBondContact O-N 2.58Å
381	L	98.4	Very high	96.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.9	178.2	-69.7	177.5	0	0	0	109.4	R126 A336 A338 A348 L356 I378 L390	R126-L381 PolarHBondContact NH1-O 2.8Å; A336-L381 HydrophobicContact CB-CD1 4.47Å; A336-L381 HydrophobicContact CB-CG 4.2Å; A338-L381 HydrophobicContact CB-CB 3.69Å; A348-L381 HydrophobicContact CB-CD1 4.03Å; L356-L381 HydrophobicContact CD1-CD1 3.91Å; L356-L381 HydrophobicContact CD1-CD2 3.71Å; L356-L381 HydrophobicContact CD1-CG 4.49Å; I378-L381 HydrophobicContact CG2-CD2 3.9Å; I378-L381 HydrophobicContact CG2-CG 4.17Å; L381-L390 HydrophobicContact CB-CD1 4.3Å; L381-L390 HydrophobicContact CD2-CD1 4.46Å; L381-L390 HydrophobicContact CD2-CD2 4.44Å
382	A	98.4	Very high	96.8	Very high	7 Å²	7	26.7 Å²	26.7	6%	0.058	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	113.7	177.8	0	0	0	0	0	111.9	I125 W127 L134 C391	I125-A382 HydrophobicContact CD1-CB 3.97Å; I125-A382 HydrophobicContact CG1-CB 3.89Å; I125-A382 WeakPolarHBondContact O-CB 3.39Å; W127-A382 PolarHBondContact NE1-O 3.34Å; L134-A382 HydrophobicContact CD1-CB 4.48Å; A382-C391 PolarHBondContact N-O 3.38Å; A382-C391 PolarHBondContact O-N 2.88Å
383	W	98.5	Very high	97.2	Very high	21 Å²	21	21 Å²	21	8%	0.08	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.6	169.6	-67.3	99.2	0	0	0	110.7	A105 T107 A338 H340 P341 A348 F358 G387 L390	A105-W383 VanDerWaalsContact O-CH2 3.25Å; A105-W383 WeakPolarHBondContact O-CH2 3.48Å; A105-W383 WeakPolarHBondContact O-CZ3 3.41Å; T107-W383 HydrophobicContact CG2-CH2 4.47Å; T107-W383 HydrophobicContact CG2-CZ3 3.83Å; A338-W383 PolarHBondContact O-NE1 2.88Å; H340-W383 HydrophobicContact CB-CZ2 4.21Å; H340-W383 AromaticContact CD2-CD2 3.87Å; H340-W383 AromaticContact CD2-CE3 3.66Å; H340-W383 AromaticContact CD2-CH2 3.8Å; H340-W383 AromaticContact CD2-CZ3 3.63Å; P341-W383 HydrophobicContact CG-CB 4.07Å; A348-W383 HydrophobicContact CB-CZ2 3.89Å; F358-W383 HydrophobicContact CD1-CH2 4.08Å; F358-W383 HydrophobicContact CD1-CZ2 4.14Å; F358-W383 AromaticContact CE1-CH2 3.63Å; F358-W383 HydrophobicContact CE1-CH2 3.63Å; F358-W383 AromaticContact CE1-CZ2 3.88Å; F358-W383 HydrophobicContact CE1-CZ2 3.88Å; W383-G387 WeakPolarHBondContact CZ3-O 3.39Å; W383-L390 HydrophobicContact CD2-CB 4.31Å; W383-L390 HydrophobicContact CD2-CD1 3.89Å; W383-L390 HydrophobicContact CE3-CB 3.95Å; W383-L390 HydrophobicContact CE3-CD1 4.39Å; W383-L390 HydrophobicContact CG-CD1 4.02Å; W383-L390 HydrophobicContact CH2-CB 4.47Å; W383-L390 HydrophobicContact CH2-CD2 4.49Å; W383-L390 HydrophobicContact CZ2-CD2 4.29Å; W383-L390 HydrophobicContact CZ3-CB 4.05Å
384	H	98.3	Very high	97.4	Very high	3 Å²	3	21 Å²	21	1%	0.014	11%	0.106	C	C	.	.			trans	-60.4	143.1	163.4	178.5	-73.1	0	0	0	108.6	Y59 W127 G131 L386 G387 H388 I389	Y59-H384 AromaticContact CE1-NE2 3.88Å; W127-H384 HydrophobicContact CD2-CB 4.18Å; W127-H384 AromaticContact CE3-CD2 3.79Å; W127-H384 AromaticContact CH2-CD2 3.96Å; W127-H384 HydrophobicContact CZ2-CB 4.1Å; W127-H384 AromaticContact CZ3-CD2 3.64Å; G131-H384 WeakPolarHBondContact CA-NE2 3.14Å; G131-H384 PolarHBondContact O-NE2 3.26Å; H384-L386 VanDerWaalsContact C-N 3.29Å; H384-L386 PolarHBondContact ND1-N 3.28Å; H384-L386 VanDerWaalsContact ND1-N 3.17Å; H384-L386 PolarHBondContact O-N 2.86Å; H384-L386 VanDerWaalsContact O-N 3.1Å; H384-G387 WeakPolarHBondContact O-CA 3.34Å; H384-G387 PolarHBondContact O-N 3.42Å; H384-H388 AromaticContact CE1-CE1 3.63Å; H384-H388 AromaticContact CG-CE1 3.77Å; H384-H388 AromaticContact ND1-CE1 3.45Å; H384-H388 PolarHBondContact ND1-CE1 3.2Å; H384-H388 AromaticContact ND1-ND1 3.68Å; H384-H388 AromaticContact NE2-CE1 3.99Å; H384-I389 HydrophobicContact CB-CB 3.97Å; H384-I389 PolarHBondContact N-O 3Å
385	P	97.2	Very high	97.4	Very high	47 Å²	47	24.2 Å²	24.2	31%	0.305	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-42.9	-175.7	-30.9	33.9	0	0	0	115.3	P129 P341 G387	P129-P385 WeakPolarHBondContact O-CG 3.37Å; P341-P385 VanDerWaalsContact CG-O 3.27Å; P341-P385 WeakPolarHBondContact CG-O 3.25Å; P385-G387 PolarHBondContact O-N 3.07Å
386	L	96.8	Very high	97.5	Very high	58 Å²	58	16.8 Å²	16.8	30%	0.304	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-4	173.5	-66.8	175.2	0	0	0	116.3	Y59 V63 P95 H384 H388	Y59-L386 HydrophobicContact CD1-CD1 3.92Å; Y59-L386 HydrophobicContact CD2-CD1 3.43Å; Y59-L386 VanDerWaalsContact CD2-CD1 3.43Å; Y59-L386 HydrophobicContact CE1-CD1 4.24Å; Y59-L386 HydrophobicContact CE2-CD1 3.83Å; Y59-L386 HydrophobicContact CG-CD1 3.49Å; Y59-L386 VanDerWaalsContact CG-CD1 3.49Å; V63-L386 HydrophobicContact CG2-CD1 4.36Å; P95-L386 WeakPolarHBondContact CD-O 3.28Å; P95-L386 WeakPolarHBondContact CG-O 3.44Å; H384-L386 VanDerWaalsContact C-N 3.29Å; H384-L386 PolarHBondContact ND1-N 3.28Å; H384-L386 VanDerWaalsContact ND1-N 3.17Å; H384-L386 PolarHBondContact O-N 2.86Å; H384-L386 VanDerWaalsContact O-N 3.1Å; L386-H388 VanDerWaalsContact C-N 3.29Å; L386-H388 WeakPolarHBondContact CB-ND1 3.2Å; L386-H388 PolarHBondContact O-N 2.72Å
387	G	96.8	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	75.5	-2.9	178.4	0	0	0	0	0	117.2	H340 W383 H384 P385	H340-G387 VanDerWaalsContact NE2-CA 3.27Å; H340-G387 WeakPolarHBondContact NE2-CA 3.38Å; H340-G387 PolarHBondContact NE2-O 2.84Å; W383-G387 WeakPolarHBondContact CZ3-O 3.39Å; H384-G387 WeakPolarHBondContact O-CA 3.34Å; H384-G387 PolarHBondContact O-N 3.42Å; P385-G387 PolarHBondContact O-N 3.07Å
388	H	96.6	Very high	97.5	Very high	5 Å²	5	19 Å²	19	2%	0.023	10%	0.097	C	C	.	.	S	Bend	trans	-88.2	-10.6	-171.2	73.6	-76.8	0	0	0	115.4	Y59 P95 H384 L386 T403	Y59-H388 AromaticContact CD1-CE1 3.51Å; Y59-H388 AromaticContact CD1-NE2 3.77Å; Y59-H388 AromaticContact CG-CE1 3.93Å; P95-H388 HydrophobicContact CG-CB 4.47Å; H384-H388 AromaticContact CE1-CE1 3.63Å; H384-H388 AromaticContact CG-CE1 3.77Å; H384-H388 AromaticContact ND1-CE1 3.45Å; H384-H388 PolarHBondContact ND1-CE1 3.2Å; H384-H388 AromaticContact ND1-ND1 3.68Å; H384-H388 AromaticContact NE2-CE1 3.99Å; L386-H388 VanDerWaalsContact C-N 3.29Å; L386-H388 WeakPolarHBondContact CB-ND1 3.2Å; L386-H388 PolarHBondContact O-N 2.72Å; H388-T403 PolarHBondContact O-OG1 2.86Å
389	I	97.6	Very high	97.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.2	176	-68.8	157.8	0	0	0	108.1	I57 W127 F151 H384 F401 W402	I57-I389 HydrophobicContact CB-CD1 4.17Å; I57-I389 HydrophobicContact CG2-CD1 3.87Å; I57-I389 HydrophobicContact CG2-CG1 4.05Å; W127-I389 HydrophobicContact CH2-CG2 4.41Å; W127-I389 HydrophobicContact CZ2-CG2 3.83Å; F151-I389 HydrophobicContact CE1-CD1 4.15Å; F151-I389 HydrophobicContact CZ-CD1 3.78Å; H384-I389 HydrophobicContact CB-CB 3.97Å; H384-I389 PolarHBondContact N-O 3Å; I389-F401 HydrophobicContact CG2-CD1 4.23Å; I389-W402 CarbonylContact C-O 3.42Å; I389-W402 VanDerWaalsContact CA-O 3.29Å; I389-W402 WeakPolarHBondContact CA-O 3.27Å; I389-W402 WeakPolarHBondContact CG2-O 3.37Å
390	L	98.3	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.4	165.2	179.1	59.3	0	0	0	109.2	T107 A348 L356 F358 L381 W383 W402	T107-L390 VanDerWaalsContact OG1-CB 3.27Å; T107-L390 WeakPolarHBondContact OG1-CB 3.15Å; A348-L390 HydrophobicContact CB-CD2 3.56Å; L356-L390 HydrophobicContact CD1-CD2 4.21Å; L356-L390 HydrophobicContact CD2-CD2 4.21Å; F358-L390 HydrophobicContact CE1-CD2 3.66Å; F358-L390 HydrophobicContact CZ-CD2 3.8Å; L381-L390 HydrophobicContact CB-CD1 4.3Å; L381-L390 HydrophobicContact CD2-CD1 4.46Å; L381-L390 HydrophobicContact CD2-CD2 4.44Å; W383-L390 HydrophobicContact CD2-CB 4.31Å; W383-L390 HydrophobicContact CD2-CD1 3.89Å; W383-L390 HydrophobicContact CE3-CB 3.95Å; W383-L390 HydrophobicContact CE3-CD1 4.39Å; W383-L390 HydrophobicContact CG-CD1 4.02Å; W383-L390 HydrophobicContact CH2-CB 4.47Å; W383-L390 HydrophobicContact CH2-CD2 4.49Å; W383-L390 HydrophobicContact CZ2-CD2 4.29Å; W383-L390 HydrophobicContact CZ3-CB 4.05Å; L390-W402 PolarHBondContact N-O 3.41Å; L390-W402 PolarHBondContact O-N 3.2Å
391	C	98.3	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147	164.6	-173	0	0	0	0	110.3	I125 L134 A382 K400 F401	I125-C391 HydrophobicContact CD1-CB 3.81Å; I125-C391 WeakPolarHBondContact CD1-O 3.31Å; L134-C391 HydrophobicContact CD1-CB 4.09Å; L134-C391 HydrophobicContact CD2-CB 4.05Å; L134-C391 WeakPolarHBondContact CD2-SG 3.4Å; A382-C391 PolarHBondContact N-O 3.38Å; A382-C391 PolarHBondContact O-N 2.88Å; C391-K400 VanDerWaalsContact CA-O 3.31Å; C391-K400 WeakPolarHBondContact CA-O 3.22Å; C391-K400 PolarHBondContact SG-O 3.37Å; C391-F401 HydrophobicContact CB-CD1 4.02Å; C391-F401 HydrophobicContact CB-CE1 4.03Å
392	S	98.3	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.1	172	53.6	0	0	0	0	111.2	H374 S399 K400 W402	H374-S392 PolarHBondContact CD2-OG 3Å; H374-S392 PolarHBondContact NE2-OG 3.36Å; S392-S399 CarbonylContact O-C 3.6Å; S392-S399 WeakPolarHBondContact O-CA 3.44Å; S392-K400 PolarHBondContact N-O 2.67Å; S392-K400 PolarHBondContact O-N 2.68Å; S392-W402 PolarHBondContact OG-NE1 3.12Å
393	G	97.6	Very high	97.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.6	173.5	0	0	0	0	0	110.6	W379 S380	W379-G393 PolarHBondContact N-O 3.41Å; S380-G393 PolarHBondContact O-N 2.58Å
394	S	97.6	Very high	97.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.5	-172.5	174.4	0	0	0	0	113.7	V122 H374 G376 M377 D396 T398	V122-S394 PolarHBondContact N-O 3.28Å; H374-S394 WeakPolarHBondContact ND1-CB 3.49Å; G376-S394 PolarHBondContact O-OG 3.19Å; M377-S394 WeakPolarHBondContact O-CA 3.42Å; M377-S394 PolarHBondContact O-OG 3.01Å; S394-D396 WeakPolarHBondContact CB-OD1 3.26Å; S394-D396 PolarHBondContact O-N 3.32Å; S394-D396 VanDerWaalsContact OG-CG 3.28Å; S394-D396 PolarHBondContact OG-N 3.01Å; S394-D396 VanDerWaalsContact OG-N 3.13Å; S394-D396 PolarHBondContact OG-OD1 3.15Å; S394-T398 PolarHBondContact N-O 3.09Å; S394-T398 VanDerWaalsContact N-O 3.15Å
395	N	96.7	Very high	96.8	Very high	67 Å²	67	17.9 Å²	17.9	36%	0.358	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15	168.4	-152.2	67.8	0	0	0	113.6	M377 W379 H397	M377-N395 HydrophobicContact CB-CB 4.27Å; M377-N395 PolarHBondContact O-N 3.44Å; W379-N395 PolarHBondContact NE1-OD1 2.84Å; N395-H397 PolarHBondContact O-CD2 2.85Å; N395-H397 PolarHBondContact O-N 3.26Å; N395-H397 VanDerWaalsContact O-N 3.15Å
396	D	95.3	Very high	96.6	Very high	34 Å²	34	20.1 Å²	20.1	18%	0.182	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	9.6	178	70.3	10.9	0	0	0	114.9	H374 E375 S394 T398	H374-D396 WeakPolarHBondContact CB-OD2 3.36Å; H374-D396 IonicContact CE1-OD2 2.78Å; H374-D396 IonicContact CG-OD2 3.37Å; H374-D396 IonicContact ND1-OD1 3.36Å; H374-D396 PolarHBondContact ND1-OD1 3.08Å; H374-D396 IonicContact ND1-OD2 3.86Å; H374-D396 PolarHBondContact ND1-OD2 3.48Å; E375-D396 HydrophobicContact CB-CB 4.41Å; E375-D396 PolarHBondContact N-OD2 2.97Å; S394-D396 WeakPolarHBondContact CB-OD1 3.26Å; S394-D396 PolarHBondContact O-N 3.32Å; S394-D396 VanDerWaalsContact OG-CG 3.28Å; S394-D396 PolarHBondContact OG-N 3.01Å; S394-D396 VanDerWaalsContact OG-N 3.13Å; S394-D396 PolarHBondContact OG-OD1 3.15Å; D396-T398 PolarHBondContact O-N 3Å; D396-T398 WeakPolarHBondContact OD1-CA 3.44Å; D396-T398 VanDerWaalsContact OD1-CB 3.23Å; D396-T398 WeakPolarHBondContact OD1-CB 3.42Å; D396-T398 WeakPolarHBondContact OD1-CG2 3.32Å; D396-T398 PolarHBondContact OD1-N 2.69Å; D396-T398 PolarHBondContact OD1-OG1 3.48Å; D396-T398 PolarHBondContact OD2-OG1 2.99Å
397	H	96.1	Very high	96.4	Very high	71 Å²	71	18.2 Å²	18.2	33%	0.329	9%	0.088	S	C	.	.	S	Bend	trans	69.5	15	-176	-37.7	133.1	0	0	0	114.6	K119 C120 P121 N395	K119-H397 HydrophobicContact CB-CB 3.97Å; C120-H397 WeakPolarHBondContact O-CA 3.28Å; P121-H397 WeakPolarHBondContact CD-CD2 3.43Å; N395-H397 PolarHBondContact O-CD2 2.85Å; N395-H397 PolarHBondContact O-N 3.26Å; N395-H397 VanDerWaalsContact O-N 3.15Å
398	T	96.5	Very high	96	Very high	21 Å²	21	19.9 Å²	19.9	13%	0.129	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154.2	-179.7	84	0	0	0	0	112.4	T113 T115 H374 S394 D396	T113-T398 HydrophobicContact CG2-CG2 3.87Å; T115-T398 HydrophobicContact CG2-CG2 3.58Å; H374-T398 PolarHBondContact CE1-OG1 3.29Å; H374-T398 VanDerWaalsContact CE1-OG1 3.32Å; H374-T398 PolarHBondContact ND1-OG1 3.24Å; S394-T398 PolarHBondContact N-O 3.09Å; S394-T398 VanDerWaalsContact N-O 3.15Å; D396-T398 PolarHBondContact O-N 3Å; D396-T398 WeakPolarHBondContact OD1-CA 3.44Å; D396-T398 VanDerWaalsContact OD1-CB 3.23Å; D396-T398 WeakPolarHBondContact OD1-CB 3.42Å; D396-T398 WeakPolarHBondContact OD1-CG2 3.32Å; D396-T398 PolarHBondContact OD1-N 2.69Å; D396-T398 PolarHBondContact OD1-OG1 3.48Å; D396-T398 PolarHBondContact OD2-OG1 2.99Å
399	S	96.8	Very high	95.6	Very high	2 Å²	2	22 Å²	22	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.1	160.7	-59.7	0	0	0	0	108.6	S114 S392	S114-S399 PolarHBondContact N-O 3.43Å; S114-S399 PolarHBondContact O-N 3.26Å; S392-S399 CarbonylContact O-C 3.6Å; S392-S399 WeakPolarHBondContact O-CA 3.44Å
400	K	97.3	Very high	95.1	Very high	18 Å²	18	29.7 Å²	29.7	8%	0.078	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146	-179.2	-68.7	-179.4	-172.8	-176.2	0	110.9	F110 R112 T113 A373 C391 S392 W402 Y415	F110-K400 HydrophobicContact CE2-CD 4.31Å; F110-K400 HydrophobicContact CE2-CG 4.34Å; R112-K400 WeakPolarHBondContact O-CA 3.21Å; T113-K400 HydrophobicContact CG2-CG 4.01Å; A373-K400 WeakPolarHBondContact O-CD 3.35Å; A373-K400 WeakPolarHBondContact O-CE 3.44Å; A373-K400 PolarHBondContact O-NZ 3.15Å; C391-K400 VanDerWaalsContact CA-O 3.31Å; C391-K400 WeakPolarHBondContact CA-O 3.22Å; C391-K400 PolarHBondContact SG-O 3.37Å; S392-K400 PolarHBondContact N-O 2.67Å; S392-K400 PolarHBondContact O-N 2.68Å; K400-W402 HydrophobicContact CB-CH2 4.15Å; K400-W402 HydrophobicContact CB-CZ2 3.43Å; K400-W402 VanDerWaalsContact CB-CZ2 3.43Å; K400-W402 HydrophobicContact CD-CH2 3.63Å; K400-W402 HydrophobicContact CD-CZ2 3.5Å; K400-W402 HydrophobicContact CG-CH2 4.5Å; K400-W402 HydrophobicContact CG-CZ2 4.09Å; K400-Y415 PolarHBondContact NZ-OH 3.49Å
401	F	97.9	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.2	177	-66.5	-89.6	0	0	0	109.8	V111 R112 S114 W127 L134 W146 F151 I389 C391	V111-F401 HydrophobicContact CB-CB 4.19Å; V111-F401 WeakPolarHBondContact CB-O 3.32Å; V111-F401 PolarHBondContact N-O 3.27Å; R112-F401 PolarHBondContact O-N 3.22Å; S114-F401 WeakPolarHBondContact OG-CE2 3.3Å; W127-F401 HydrophobicContact CH2-CD1 4.35Å; W127-F401 AromaticContact CH2-CE1 3.92Å; W127-F401 HydrophobicContact CH2-CE1 3.92Å; W127-F401 HydrophobicContact CZ2-CD1 4.07Å; W127-F401 AromaticContact CZ2-CE1 3.78Å; W127-F401 HydrophobicContact CZ2-CE1 3.78Å; L134-F401 HydrophobicContact CB-CE1 4.3Å; L134-F401 HydrophobicContact CB-CZ 4.31Å; L134-F401 HydrophobicContact CD2-CE1 3.77Å; L134-F401 HydrophobicContact CD2-CZ 3.54Å; W146-F401 HydrophobicContact CB-CZ 4.15Å; W146-F401 HydrophobicContact CG-CZ 4.43Å; F151-F401 HydrophobicContact CB-CD2 4.19Å; F151-F401 HydrophobicContact CB-CE2 4.2Å; F151-F401 HydrophobicContact CD1-CB 4.11Å; F151-F401 AromaticContact CD1-CD1 3.32Å; F151-F401 HydrophobicContact CD1-CD1 3.32Å; F151-F401 AromaticContact CD1-CD2 3.8Å; F151-F401 HydrophobicContact CD1-CD2 3.8Å; F151-F401 AromaticContact CD1-CE1 3.51Å; F151-F401 HydrophobicContact CD1-CE1 3.51Å; F151-F401 AromaticContact CD1-CE2 3.98Å; F151-F401 HydrophobicContact CD1-CE2 3.98Å; F151-F401 AromaticContact CD1-CG 3.46Å; F151-F401 HydrophobicContact CD1-CG 3.46Å; F151-F401 VanDerWaalsContact CD1-CG 3.46Å; F151-F401 AromaticContact CD1-CZ 3.83Å; F151-F401 HydrophobicContact CD1-CZ 3.83Å; F151-F401 HydrophobicContact CE1-CB 4.14Å; F151-F401 AromaticContact CE1-CD1 3.42Å; F151-F401 HydrophobicContact CE1-CD1 3.42Å; F151-F401 VanDerWaalsContact CE1-CD1 3.42Å; F151-F401 AromaticContact CE1-CE1 3.89Å; F151-F401 HydrophobicContact CE1-CE1 3.89Å; F151-F401 AromaticContact CE1-CG 3.81Å; F151-F401 HydrophobicContact CE1-CG 3.81Å; F151-F401 HydrophobicContact CG-CD1 4.39Å; F151-F401 HydrophobicContact CG-CD2 4.17Å; F151-F401 HydrophobicContact CG-CE2 4.45Å; F151-F401 HydrophobicContact CG-CG 4.12Å; I389-F401 HydrophobicContact CG2-CD1 4.23Å; C391-F401 HydrophobicContact CB-CD1 4.02Å; C391-F401 HydrophobicContact CB-CE1 4.03Å
402	W	97.3	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.3	-177.6	-40.6	97.9	0	0	0	109.6	T107 K109 F110 L356 M370 A373 I389 L390 S392 K400 Y415	T107-W402 WeakPolarHBondContact O-CB 3.5Å; K109-W402 CarbonylContact O-C 3.59Å; K109-W402 WeakPolarHBondContact O-CA 3.48Å; F110-W402 HydrophobicContact CB-CE3 3.99Å; F110-W402 HydrophobicContact CB-CZ3 3.74Å; F110-W402 AromaticContact CD2-CE3 3.98Å; F110-W402 HydrophobicContact CD2-CE3 3.98Å; F110-W402 AromaticContact CD2-CH2 3.99Å; F110-W402 HydrophobicContact CD2-CH2 3.99Å; F110-W402 AromaticContact CD2-CZ3 3.49Å; F110-W402 HydrophobicContact CD2-CZ3 3.49Å; F110-W402 VanDerWaalsContact CD2-CZ3 3.49Å; F110-W402 HydrophobicContact CG-CE3 4.5Å; F110-W402 HydrophobicContact CG-CZ3 4.05Å; L356-W402 HydrophobicContact CD2-CD2 4.49Å; L356-W402 HydrophobicContact CD2-CG 4.33Å; M370-W402 HydrophobicContact CE-CD2 3.92Å; M370-W402 HydrophobicContact CE-CE3 3.32Å; M370-W402 HydrophobicContact CE-CH2 3.38Å; M370-W402 HydrophobicContact CE-CZ2 3.95Å; M370-W402 HydrophobicContact CE-CZ3 3.04Å; M370-W402 HydrophobicContact SD-CE3 4.48Å; A373-W402 HydrophobicContact CB-CH2 4.14Å; A373-W402 HydrophobicContact CB-CZ2 3.97Å; I389-W402 CarbonylContact C-O 3.42Å; I389-W402 VanDerWaalsContact CA-O 3.29Å; I389-W402 WeakPolarHBondContact CA-O 3.27Å; I389-W402 WeakPolarHBondContact CG2-O 3.37Å; L390-W402 PolarHBondContact N-O 3.41Å; L390-W402 PolarHBondContact O-N 3.2Å; S392-W402 PolarHBondContact OG-NE1 3.12Å; K400-W402 HydrophobicContact CB-CH2 4.15Å; K400-W402 HydrophobicContact CB-CZ2 3.43Å; K400-W402 VanDerWaalsContact CB-CZ2 3.43Å; K400-W402 HydrophobicContact CD-CH2 3.63Å; K400-W402 HydrophobicContact CD-CZ2 3.5Å; K400-W402 HydrophobicContact CG-CH2 4.5Å; K400-W402 HydrophobicContact CG-CZ2 4.09Å; W402-Y415 HydrophobicContact CH2-CD1 4.29Å; W402-Y415 HydrophobicContact CH2-CE1 4.07Å; W402-Y415 HydrophobicContact CH2-CE2 4.33Å; W402-Y415 HydrophobicContact CH2-CG 4.5Å; W402-Y415 HydrophobicContact CZ3-CD1 4.43Å; W402-Y415 AromaticContact CZ3-CD2 3.99Å; W402-Y415 HydrophobicContact CZ3-CD2 3.99Å; W402-Y415 HydrophobicContact CZ3-CE1 4.46Å; W402-Y415 HydrophobicContact CZ3-CE2 4.02Å; W402-Y415 HydrophobicContact CZ3-CG 4.19Å
403	T	96.6	Very high	93	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	168.4	179.9	-168	0	0	0	0	110.4	I57 T107 K109 V111 H388	I57-T403 HydrophobicContact CD1-CG2 3.98Å; I57-T403 HydrophobicContact CG1-CG2 4.44Å; T107-T403 CarbonylContact C-O 3.56Å; T107-T403 VanDerWaalsContact CA-O 3.27Å; T107-T403 WeakPolarHBondContact CA-O 3.14Å; K109-T403 HydrophobicContact CB-CG2 3.93Å; K109-T403 WeakPolarHBondContact CB-O 3Å; K109-T403 HydrophobicContact CD-CG2 4.26Å; K109-T403 HydrophobicContact CG-CG2 4.03Å; K109-T403 PolarHBondContact N-O 2.86Å; K109-T403 PolarHBondContact O-N 2.98Å; V111-T403 HydrophobicContact CG2-CG2 3.4Å; H388-T403 PolarHBondContact O-OG1 2.86Å
404	R	94.8	Very high	92.4	Very high	17 Å²	17	53.3 Å²	53.3	6%	0.064	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-62.5	140.6	174	-57.4	-178.8	-71.6	159.7	-5.9	109.5	V93 N104 T107	V93-R404 PolarHBondContact O-NH1 3.49Å; V93-R404 PolarHBondContact O-NH2 3.05Å; N104-R404 PolarHBondContact ND2-NH1 3.07Å; N104-R404 WeakPolarHBondContact O-CD 3.04Å; N104-R404 WeakPolarHBondContact O-CG 3.36Å; N104-R404 PolarHBondContact OD1-NH1 2.94Å; T107-R404 HydrophobicContact CG2-CG 4.05Å
405	N	93.1	Very high	91.8	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.171	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.2	146.2	175.7	-52	74	0	0	0	109.9	T108 M411	T108-N405 PolarHBondContact OG1-ND2 3.23Å; T108-N405 PolarHBondContact OG1-OD1 2.63Å; N405-M411 HydrophobicContact CB-CE 3.9Å
406	R	92.1	Very high	90.9	Very high	93 Å²	93	53.5 Å²	53.5	35%	0.351	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-79.4	149	177	-65.6	-62.1	-170.2	-166.2	0.5	109.5	L92 K109 G408 D409	L92-R406 VanDerWaalsContact CD1-NH1 3.33Å; K109-R406 HydrophobicContact CD-CG 4.4Å; R406-G408 PolarHBondContact O-N 3.32Å; R406-D409 HydrophobicContact CB-CB 4.35Å; R406-D409 WeakPolarHBondContact O-CB 3.44Å; R406-D409 PolarHBondContact O-N 2.83Å; R406-D409 VanDerWaalsContact O-N 3.08Å
407	P	93	Very high	89.6	Confident	19 Å²	19	55.9 Å²	55.9	12%	0.123	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	136.7	169.1	-20.9	33.4	0	0	0	109.9	I82 Q83 D85 A86 L92 D409	I82-P407 HydrophobicContact CG2-CB 3.98Å; I82-P407 HydrophobicContact CG2-CG 3.54Å; Q83-P407 WeakPolarHBondContact O-CB 2.98Å; D85-P407 CarbonylContact C-O 3.53Å; D85-P407 WeakPolarHBondContact O-CB 3.18Å; A86-P407 WeakPolarHBondContact CA-O 3.48Å; L92-P407 HydrophobicContact CD1-CG 4.5Å; L92-P407 HydrophobicContact CD2-CG 3.86Å; L92-P407 HydrophobicContact CG-CG 4.13Å; P407-D409 VanDerWaalsContact C-N 3.25Å; P407-D409 PolarHBondContact O-N 2.91Å
408	G	88.5	Confident	87.4	Confident	35 Å²	35	59 Å²	59	36%	0.361	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	2.5	-175.6	0	0	0	0	0	116.1	P84 R406 K410	P84-G408 VanDerWaalsContact C-N 3.31Å; P84-G408 WeakPolarHBondContact O-CA 3.32Å; P84-G408 PolarHBondContact O-N 2.82Å; R406-G408 PolarHBondContact O-N 3.32Å; G408-K410 PolarHBondContact O-N 3.43Å
409	D	89	Confident	84.9	Confident	50 Å²	50	62.5 Å²	62.5	27%	0.267	29%	0.294	S	S	.	.			trans	-68.6	126.7	175.8	-163.7	-23.9	0	0	0	111.4	K109 R406 P407 M411	K109-D409 WeakPolarHBondContact CD-OD2 3.11Å; K109-D409 IonicContact NZ-OD2 2.79Å; K109-D409 PolarHBondContact NZ-OD2 2.71Å; R406-D409 HydrophobicContact CB-CB 4.35Å; R406-D409 WeakPolarHBondContact O-CB 3.44Å; R406-D409 PolarHBondContact O-N 2.83Å; R406-D409 VanDerWaalsContact O-N 3.08Å; P407-D409 VanDerWaalsContact C-N 3.25Å; P407-D409 PolarHBondContact O-N 2.91Å; D409-M411 VanDerWaalsContact C-N 3.27Å; D409-M411 PolarHBondContact O-N 3.38Å; D409-M411 PolarHBondContact OD1-N 3.26Å
410	K	86.3	Confident	81.9	Confident	160 Å²	160	69.1 Å²	69.1	70%	0.696	33%	0.328	S	S	*	.			trans	-82.5	-1.1	-177.9	-63	179.6	-177.9	174	0	113.4	G408 R412	G408-K410 PolarHBondContact O-N 3.43Å; K410-R412 HydrophobicContact CB-CG 4.16Å; K410-R412 PolarHBondContact O-N 2.67Å; K410-R412 VanDerWaalsContact O-N 3.1Å
411	M	84.5	Confident	78.8	Confident	68 Å²	68	74.5 Å²	74.5	34%	0.335	37%	0.365	S	S	.	.			trans	52.4	32.8	177.1	-54.8	-164.2	-168.4	0	0	114.6	N405 D409 D413 N416 L417	N405-M411 HydrophobicContact CB-CE 3.9Å; D409-M411 VanDerWaalsContact C-N 3.27Å; D409-M411 PolarHBondContact O-N 3.38Å; D409-M411 PolarHBondContact OD1-N 3.26Å; M411-D413 PolarHBondContact O-N 2.94Å; M411-N416 HydrophobicContact CB-CB 3.83Å; M411-L417 HydrophobicContact CB-CD1 4.45Å; M411-L417 PolarHBondContact O-N 3.49Å
412	R	83.9	Confident	76.1	Confident	183 Å²	183	77.6 Å²	77.6	69%	0.691	40%	0.397	S	S	*	.			trans	-79.2	13.2	178.5	-66.4	-174.7	173.9	-167.4	-4.7	113.9	K410 L419	K410-R412 HydrophobicContact CB-CG 4.16Å; K410-R412 PolarHBondContact O-N 2.67Å; K410-R412 VanDerWaalsContact O-N 3.1Å; R412-L419 HydrophobicContact CB-CD1 4.47Å
413	D	82.9	Confident	73.2	Confident	42 Å²	42	85.1 Å²	85.1	23%	0.225	43%	0.434	C	S	.	.	S	Bend	trans	-74.2	160.9	174.6	70	73.3	0	0	0	111.5	M411 Y415 N416 L417	M411-D413 PolarHBondContact O-N 2.94Å; D413-Y415 PolarHBondContact O-N 2.88Å; D413-Y415 WeakPolarHBondContact OD1-CA 3.49Å; D413-Y415 VanDerWaalsContact OD1-CB 3.32Å; D413-Y415 WeakPolarHBondContact OD1-CB 3.39Å; D413-Y415 PolarHBondContact OD1-N 2.95Å; D413-N416 PolarHBondContact O-N 3.47Å; D413-N416 PolarHBondContact OD1-N 3.04Å; D413-N416 VanDerWaalsContact OD1-N 3.07Å; D413-N416 PolarHBondContact OD1-ND2 2.87Å; D413-N416 VanDerWaalsContact OD1-ND2 3.14Å; D413-N416 PolarHBondContact OD2-ND2 3.29Å; D413-L417 PolarHBondContact O-N 2.93Å
414	R	84.7	Confident	70.7	Confident	203 Å²	203	89 Å²	89	77%	0.766	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.6	-175.7	-57	-174.1	-62.3	172.6	-0.2	115
415	Y	85.3	Confident	68	Low	33 Å²	33	97.3 Å²	97.3	13%	0.129	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-28.5	-177.2	-56	-73.6	0	0	0	113.1	F110 M370 M372 K400 W402 D413	F110-Y415 HydrophobicContact CB-CD2 3.78Å; F110-Y415 HydrophobicContact CB-CE2 3.67Å; F110-Y415 HydrophobicContact CD1-CE2 4.06Å; F110-Y415 AromaticContact CD2-CE2 3.88Å; F110-Y415 HydrophobicContact CD2-CE2 3.88Å; F110-Y415 HydrophobicContact CG-CD2 4.24Å; F110-Y415 AromaticContact CG-CE2 3.6Å; F110-Y415 HydrophobicContact CG-CE2 3.6Å; M370-Y415 HydrophobicContact CE-CD1 4.28Å; M370-Y415 HydrophobicContact CE-CG 4.02Å; M370-Y415 WeakPolarHBondContact CG-O 3.33Å; M372-Y415 WeakPolarHBondContact O-CD1 3.04Å; M372-Y415 WeakPolarHBondContact O-CE1 3.08Å; K400-Y415 PolarHBondContact NZ-OH 3.49Å; W402-Y415 HydrophobicContact CH2-CD1 4.29Å; W402-Y415 HydrophobicContact CH2-CE1 4.07Å; W402-Y415 HydrophobicContact CH2-CE2 4.33Å; W402-Y415 HydrophobicContact CH2-CG 4.5Å; W402-Y415 HydrophobicContact CZ3-CD1 4.43Å; W402-Y415 AromaticContact CZ3-CD2 3.99Å; W402-Y415 HydrophobicContact CZ3-CD2 3.99Å; W402-Y415 HydrophobicContact CZ3-CE1 4.46Å; W402-Y415 HydrophobicContact CZ3-CE2 4.02Å; W402-Y415 HydrophobicContact CZ3-CG 4.19Å; D413-Y415 PolarHBondContact O-N 2.88Å; D413-Y415 WeakPolarHBondContact OD1-CA 3.49Å; D413-Y415 VanDerWaalsContact OD1-CB 3.32Å; D413-Y415 WeakPolarHBondContact OD1-CB 3.39Å; D413-Y415 PolarHBondContact OD1-N 2.95Å
416	N	77.1	Confident	65.4	Low	39 Å²	39	103 Å²	103	21%	0.209	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-43.5	-176.5	-73.7	-76.7	0	0	0	114	T108 M411 D413	T108-N416 WeakPolarHBondContact CB-OD1 3.49Å; T108-N416 PolarHBondContact O-ND2 3.2Å; T108-N416 PolarHBondContact OG1-OD1 3.35Å; M411-N416 HydrophobicContact CB-CB 3.83Å; D413-N416 PolarHBondContact O-N 3.47Å; D413-N416 PolarHBondContact OD1-N 3.04Å; D413-N416 VanDerWaalsContact OD1-N 3.07Å; D413-N416 PolarHBondContact OD1-ND2 2.87Å; D413-N416 VanDerWaalsContact OD1-ND2 3.14Å; D413-N416 PolarHBondContact OD2-ND2 3.29Å
417	L	67.3	Low	62.9	Low	83 Å²	83	101.3 Å²	101.3	44%	0.435	54%	0.542	S	S	.	.			trans	-114.9	114.6	173.6	-103	71.1	0	0	0	110	M411 D413 L419	M411-L417 HydrophobicContact CB-CD1 4.45Å; M411-L417 PolarHBondContact O-N 3.49Å; D413-L417 PolarHBondContact O-N 2.93Å; L417-L419 HydrophobicContact CB-CG 4.42Å; L417-L419 PolarHBondContact O-N 3.32Å
418	N	49.8	Very low	60.4	Low	138 Å²	138	104.9 Å²	104.9	74%	0.738	56%	0.564	S	S	*	*			trans	-69.1	71.3	163	-72.2	-31.7	0	0	0	109.9	L420	N418-L420 PolarHBondContact O-N 3.02Å
419	L	45.8	Very low	58.1	Low	94 Å²	94	109.6 Å²	109.6	49%	0.492	58%	0.576	S	S	.	*			trans	-61.5	123.6	163.5	-71.8	170.7	0	0	0	107.6	R412 L417	R412-L419 HydrophobicContact CB-CD1 4.47Å; L417-L419 HydrophobicContact CB-CG 4.42Å; L417-L419 PolarHBondContact O-N 3.32Å
420	L	32.3	Very low	55.9	Low	141 Å²	141	117.8 Å²	117.8	74%	0.738	61%	0.605	S	S	*	*			trans	-56.9	143.8	-176	-68.3	165.5	0	0	0	110.8	N418 G422 M423	N418-L420 PolarHBondContact O-N 3.02Å; L420-G422 PolarHBondContact O-N 3.05Å; L420-M423 PolarHBondContact O-N 3.21Å
421	P	32.8	Very low	54	Low	130 Å²	130	115.7 Å²	115.7	84%	0.844	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	115.9	172	-20.1	31.5	0	0	0	109.5
422	G	40.7	Very low	51.9	Low	65 Å²	65	118.7 Å²	118.7	67%	0.67	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.2	-10.1	-176.1	0	0	0	0	0	115.9	L420	L420-G422 PolarHBondContact O-N 3.05Å
423	M	36.1	Very low	49.7	Very low	159 Å²	159	114.2 Å²	114.2	78%	0.783	61%	0.612	S	S	*	*	S	Bend	trans	-101.4	12.8	167	-82.8	-171.8	153.1	0	0	113.5	L420	L420-M423 PolarHBondContact O-N 3.21Å
424	S	44.2	Very low	47.5	Very low	84 Å²	84	119.6 Å²	119.6	59%	0.587	64%	0.635	S	S	*	*			trans	-105.2	31.8	-179.6	66.1	0	0	0	0	113.1	D426 G427	S424-D426 VanDerWaalsContact C-N 3.27Å; S424-G427 VanDerWaalsContact O-CA 3.3Å; S424-G427 WeakPolarHBondContact O-CA 3.39Å; S424-G427 PolarHBondContact O-N 2.86Å
425	E	38	Very low	45.4	Very low	192 Å²	192	116.2 Å²	116.2	90%	0.897	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-25.4	165.8	-74	-159.3	131.1	0	0	111.6	G427	E425-G427 PolarHBondContact O-N 3.05Å
426	D	38.8	Very low	43.1	Very low	151 Å²	151	121.9 Å²	121.9	81%	0.807	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	42.5	156.1	-74	-36.8	0	0	0	111.2	S424 V428	S424-D426 VanDerWaalsContact C-N 3.27Å; D426-V428 PolarHBondContact O-N 2.73Å
427	G	40.5	Very low	41.2	Very low	58 Å²	58	124 Å²	124	60%	0.598	69%	0.69	S	S	*	*			trans	-72.2	25.6	175.6	0	0	0	0	0	113.8	S424 E425 E429	S424-G427 VanDerWaalsContact O-CA 3.3Å; S424-G427 WeakPolarHBondContact O-CA 3.39Å; S424-G427 PolarHBondContact O-N 2.86Å; E425-G427 PolarHBondContact O-N 3.05Å; G427-E429 PolarHBondContact O-N 2.76Å
428	V	40	Very low	39.9	Very low	94 Å²	94	127.9 Å²	127.9	57%	0.57	71%	0.711	S	S	*	*			trans	-73.9	115.7	169.3	-167.7	0	0	0	0	106.8	D426 Y430	D426-V428 PolarHBondContact O-N 2.73Å; V428-Y430 PolarHBondContact O-N 3.3Å
429	E	40.3	Very low	39.4	Very low	134 Å²	134	126 Å²	126	63%	0.626	72%	0.715	S	S	*	*			trans	-56.8	113.4	161.6	-71.7	-162.7	154.9	0	0	107.2	G427 D431 D432	G427-E429 PolarHBondContact O-N 2.76Å; E429-D431 PolarHBondContact O-N 3.37Å; E429-D432 HydrophobicContact CB-CB 4.29Å; E429-D432 PolarHBondContact O-N 3.45Å
430	Y	42.5	Very low	39.2	Very low	223 Å²	223	126.5 Å²	126.5	88%	0.875	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	7	-179.9	-114.9	-94.3	0	0	0	114	V428	V428-Y430 PolarHBondContact O-N 3.3Å
431	D	46.6	Very low	39.5	Very low	115 Å²	115	125.7 Å²	125.7	62%	0.615	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-11.3	177.6	-91.2	-30.3	0	0	0	113.5	K55 E429	K55-D431 VanDerWaalsContact CE-OD2 3.26Å; K55-D431 WeakPolarHBondContact CE-OD2 3.3Å; K55-D431 IonicContact NZ-OD2 3.95Å; K55-D431 PolarHBondContact NZ-OD2 3.4Å; E429-D431 PolarHBondContact O-N 3.37Å
432	D	40.5	Very low	39.5	Very low	131 Å²	131	125.6 Å²	125.6	70%	0.701	72%	0.716	S	S	*	*			trans	-110.8	33.1	-174.7	-127.4	24.7	0	0	0	112.5	E429 E434	E429-D432 HydrophobicContact CB-CB 4.29Å; E429-D432 PolarHBondContact O-N 3.45Å; D432-E434 PolarHBondContact O-N 3.42Å; D432-E434 VanDerWaalsContact O-N 3.14Å
433	V	38.4	Very low	39.8	Very low	90 Å²	90	126.4 Å²	126.4	55%	0.545	73%	0.725	S	S	.	*			trans	-70.9	103.5	168.8	-178.8	0	0	0	0	108.7
434	E	35.5	Very low	40.1	Very low	154 Å²	154	126.4 Å²	126.4	72%	0.72	73%	0.725	S	S	*	*			trans	-54.5	136.3	168	-76.4	-150.9	143.6	0	0	109.9	D432 N436 S437	D432-E434 PolarHBondContact O-N 3.42Å; D432-E434 VanDerWaalsContact O-N 3.14Å; E434-N436 PolarHBondContact O-N 2.89Å; E434-S437 PolarHBondContact O-N 3.44Å
435	P	40.6	Very low	40.2	Very low	133 Å²	133	124.9 Å²	124.9	86%	0.864	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	5	-171.9	-25.1	34.7	0	0	0	117.2
436	N	37.9	Very low	40.9	Very low	151 Å²	151	121.7 Å²	121.7	81%	0.807	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	3.7	-170.3	-112.2	37.4	0	0	0	114.4	E434 L438	E434-N436 PolarHBondContact O-N 2.89Å; N436-L438 PolarHBondContact O-N 3.07Å; N436-L438 VanDerWaalsContact O-N 3.12Å
437	S	37.8	Very low	41.8	Very low	84 Å²	84	118.6 Å²	118.6	59%	0.587	70%	0.698	S	S	*	*			trans	-70.1	107.4	172.3	60.4	0	0	0	0	110.4	E434 A439	E434-S437 PolarHBondContact O-N 3.44Å; S437-A439 PolarHBondContact O-N 3.44Å
438	L	39.9	Very low	42.3	Very low	165 Å²	165	123.9 Å²	123.9	86%	0.864	71%	0.707	S	S	*	*			trans	-58.8	123.9	173.2	-87.7	156.9	0	0	0	110.1	N436 T440	N436-L438 PolarHBondContact O-N 3.07Å; N436-L438 VanDerWaalsContact O-N 3.12Å; L438-T440 PolarHBondContact O-N 3.3Å; L438-T440 VanDerWaalsContact O-N 3.09Å
439	A	38.5	Very low	42.8	Very low	99 Å²	99	127.5 Å²	127.5	82%	0.818	72%	0.718	S	S	*	*			trans	-70.8	103.4	179.3	0	0	0	0	0	110.8	S437	S437-A439 PolarHBondContact O-N 3.44Å
440	T	41.2	Very low	43.1	Very low	104 Å²	104	125.9 Å²	125.9	64%	0.638	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-75.6	126.3	172	-48.3	0	0	0	0	109.9	L438	L438-T440 PolarHBondContact O-N 3.3Å; L438-T440 VanDerWaalsContact O-N 3.09Å
441	I	39.3	Very low	43.7	Very low	123 Å²	123	121.3 Å²	121.3	63%	0.631	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-72.1	129.1	175.8	-58.9	174.8	0	0	0	108.7	G443 M444	I441-G443 PolarHBondContact O-N 2.94Å; I441-M444 PolarHBondContact O-N 3.16Å; I441-M444 VanDerWaalsContact O-N 3.11Å
442	P	31.5	Very low	44.3	Very low	128 Å²	128	118 Å²	118	83%	0.831	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	125.6	175.2	-27.2	35.5	0	0	0	111.6
443	G	47	Very low	45.1	Very low	83 Å²	83	114 Å²	114	86%	0.856	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.1	-3.7	-177.1	0	0	0	0	0	116.1	I441	I441-G443 PolarHBondContact O-N 2.94Å
444	M	43.5	Very low	45.9	Very low	159 Å²	159	115.2 Å²	115.2	78%	0.783	67%	0.673	S	S	*	*			trans	-124.3	33.5	177	-78.7	-101.7	-71.5	0	0	112.9	I441	I441-M444 PolarHBondContact O-N 3.16Å; I441-M444 VanDerWaalsContact O-N 3.11Å
445	G	45.9	Very low	47.1	Very low	52 Å²	52	113.2 Å²	113.2	54%	0.536	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-88.7	142.5	171	0	0	0	0	0	111.9
446	I	53.1	Low	47.6	Very low	124 Å²	124	113.7 Å²	113.7	64%	0.636	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-63.8	130	171.9	-55.4	172.9	0	0	0	108.2	E448 L450	I446-E448 PolarHBondContact O-N 3.21Å; I446-L450 HydrophobicContact CG2-CB 3.96Å; I446-L450 HydrophobicContact CG2-CD2 3.72Å; I446-L450 HydrophobicContact CG2-CG 4.44Å
447	P	57.6	Low	48.2	Very low	86 Å²	86	113.1 Å²	113.1	56%	0.558	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-55.6	137.8	-179.6	-27.9	35.8	0	0	0	112.9	Q449 L450 K451	P447-Q449 PolarHBondContact O-N 3.19Å; P447-Q449 VanDerWaalsContact O-N 3.14Å; P447-L450 WeakPolarHBondContact O-CB 3.35Å; P447-L450 PolarHBondContact O-N 3.08Å; P447-K451 PolarHBondContact O-N 3.21Å
448	E	51.4	Low	48.8	Very low	169 Å²	169	116.5 Å²	116.5	79%	0.79	65%	0.653	S	S	*	*	H	α-helix	trans	-60.1	-29.9	-171.8	-166.3	160.2	-157.4	0	0	113.4	I446 L450 K451 A452	I446-E448 PolarHBondContact O-N 3.21Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 3.23Å; E448-K451 PolarHBondContact O-N 2.97Å; E448-A452 PolarHBondContact O-N 2.73Å
449	Q	49.1	Very low	48.9	Very low	170 Å²	170	113 Å²	113	79%	0.794	64%	0.643	S	S	*	*	H	α-helix	trans	-62.7	-35.8	172.1	-67.6	171.2	-14.7	0	0	113.1	P447 A453	P447-Q449 PolarHBondContact O-N 3.19Å; P447-Q449 VanDerWaalsContact O-N 3.14Å; Q449-A453 WeakPolarHBondContact O-CB 3.31Å; Q449-A453 PolarHBondContact O-N 3.34Å
450	L	48	Very low	49	Very low	101 Å²	101	112.6 Å²	112.6	53%	0.529	63%	0.634	S	S	.	*	H	α-helix	trans	-74.9	-35.5	177.8	-151	81.8	0	0	0	111	I446 P447 E448 A453 M454	I446-L450 HydrophobicContact CG2-CB 3.96Å; I446-L450 HydrophobicContact CG2-CD2 3.72Å; I446-L450 HydrophobicContact CG2-CG 4.44Å; P447-L450 WeakPolarHBondContact O-CB 3.35Å; P447-L450 PolarHBondContact O-N 3.08Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 3.23Å; L450-A453 PolarHBondContact O-N 2.62Å; L450-M454 WeakPolarHBondContact O-CG 3.48Å; L450-M454 PolarHBondContact O-N 3.14Å
451	K	55.3	Low	49.3	Very low	126 Å²	126	116.3 Å²	116.3	55%	0.548	64%	0.641	S	S	.	*	H	α-helix	trans	-64.4	-45.3	173.9	-169.5	-175.3	174.6	-163.5	0	111.3	P447 E448 A453 M454 E455	P447-K451 PolarHBondContact O-N 3.21Å; E448-K451 PolarHBondContact O-N 2.97Å; K451-A453 VanDerWaalsContact C-N 3.32Å; K451-A453 PolarHBondContact O-N 3.34Å; K451-M454 PolarHBondContact O-N 2.99Å; K451-E455 VanDerWaalsContact CE-OE1 3.31Å; K451-E455 WeakPolarHBondContact CE-OE1 3.41Å; K451-E455 WeakPolarHBondContact O-CG 3.25Å; K451-E455 PolarHBondContact O-N 2.69Å
452	A	58.3	Low	49.3	Very low	47 Å²	47	119.6 Å²	119.6	39%	0.388	65%	0.654	S	S	.	*	H	α-helix	trans	-62.5	-36.6	174.4	0	0	0	0	0	112.8	E448 E455 Q456	E448-A452 PolarHBondContact O-N 2.73Å; A452-E455 PolarHBondContact O-N 2.98Å; A452-Q456 WeakPolarHBondContact O-CG 3.39Å; A452-Q456 PolarHBondContact O-N 3.14Å
453	A	56.9	Low	49.7	Very low	47 Å²	47	118.1 Å²	118.1	39%	0.388	65%	0.653	S	S	.	*	H	α-helix	trans	-65.9	-41.6	174.9	0	0	0	0	0	112.5	Q449 L450 K451 Q456 E457	Q449-A453 WeakPolarHBondContact O-CB 3.31Å; Q449-A453 PolarHBondContact O-N 3.34Å; L450-A453 PolarHBondContact O-N 2.62Å; K451-A453 VanDerWaalsContact C-N 3.32Å; K451-A453 PolarHBondContact O-N 3.34Å; A453-Q456 PolarHBondContact O-N 3Å; A453-E457 PolarHBondContact O-N 2.86Å
454	M	55.5	Low	49	Very low	114 Å²	114	119.1 Å²	119.1	56%	0.562	65%	0.652	S	S	*	*	H	α-helix	trans	-65	-39.5	174.9	-70.2	179.1	70.1	0	0	112.2	L450 K451 Q456 E457 Q458	L450-M454 WeakPolarHBondContact O-CG 3.48Å; L450-M454 PolarHBondContact O-N 3.14Å; K451-M454 PolarHBondContact O-N 2.99Å; M454-Q456 VanDerWaalsContact C-N 3.31Å; M454-Q456 PolarHBondContact O-N 2.79Å; M454-E457 PolarHBondContact O-N 2.84Å; M454-Q458 WeakPolarHBondContact O-CB 3.42Å; M454-Q458 PolarHBondContact O-N 3.4Å
455	E	61.3	Low	48.6	Very low	113 Å²	113	116.3 Å²	116.3	53%	0.528	65%	0.654	S	S	.	*	H	α-helix	trans	-65.9	-31.7	175.3	-72.1	172.1	-173.2	0	0	112	K451 A452 S459	K451-E455 VanDerWaalsContact CE-OE1 3.31Å; K451-E455 WeakPolarHBondContact CE-OE1 3.41Å; K451-E455 WeakPolarHBondContact O-CG 3.25Å; K451-E455 PolarHBondContact O-N 2.69Å; A452-E455 PolarHBondContact O-N 2.98Å; E455-S459 PolarHBondContact O-N 3.39Å
456	Q	51.2	Low	48.2	Very low	142 Å²	142	123 Å²	123	66%	0.664	67%	0.672	S	S	*	*	H	α-helix	trans	-73.1	-39	172.3	-78	-175.4	-21	0	0	114.3	A452 A453 M454 Q458 S459 S460	A452-Q456 WeakPolarHBondContact O-CG 3.39Å; A452-Q456 PolarHBondContact O-N 3.14Å; A453-Q456 PolarHBondContact O-N 3Å; M454-Q456 VanDerWaalsContact C-N 3.31Å; M454-Q456 PolarHBondContact O-N 2.79Å; Q456-Q458 VanDerWaalsContact C-N 3.26Å; Q456-Q458 PolarHBondContact O-N 2.77Å; Q456-S459 PolarHBondContact O-N 2.86Å; Q456-S459 PolarHBondContact O-OG 3.02Å; Q456-S459 VanDerWaalsContact O-OG 3.04Å; Q456-S460 PolarHBondContact O-N 3.07Å; Q456-S460 PolarHBondContact O-OG 3.35Å
457	E	50.9	Low	47.3	Very low	140 Å²	140	123.3 Å²	123.3	65%	0.654	68%	0.679	S	S	*	*	H	α-helix	trans	-64.3	-32.8	171.9	-90.8	-158.4	130.6	0	0	112.1	A453 M454 S460	A453-E457 PolarHBondContact O-N 2.86Å; M454-E457 PolarHBondContact O-N 2.84Å; E457-S460 WeakPolarHBondContact CA-OG 3.43Å; E457-S460 PolarHBondContact O-OG 3.38Å; E457-S460 VanDerWaalsContact O-OG 3.07Å
458	Q	49.7	Very low	46.3	Very low	155 Å²	155	127.6 Å²	127.6	72%	0.724	69%	0.692	S	S	*	*	H	α-helix	trans	-76.2	-29	-178.9	-155.5	157.7	11.9	0	0	112.4	M454 Q456 S460	M454-Q458 WeakPolarHBondContact O-CB 3.42Å; M454-Q458 PolarHBondContact O-N 3.4Å; Q456-Q458 VanDerWaalsContact C-N 3.26Å; Q456-Q458 PolarHBondContact O-N 2.77Å; Q458-S460 VanDerWaalsContact C-N 3.32Å; Q458-S460 PolarHBondContact O-N 3Å
459	S	41.6	Very low	45.6	Very low	92 Å²	92	127.4 Å²	127.4	64%	0.643	69%	0.693	S	S	*	*	H	α-helix	trans	-77.7	-12.2	174.9	68.2	0	0	0	0	114.7	E455 Q456	E455-S459 PolarHBondContact O-N 3.39Å; Q456-S459 PolarHBondContact O-N 2.86Å; Q456-S459 PolarHBondContact O-OG 3.02Å; Q456-S459 VanDerWaalsContact O-OG 3.04Å
460	S	41.4	Very low	44.9	Very low	89 Å²	89	123.9 Å²	123.9	62%	0.622	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	3.8	-175.5	39.2	0	0	0	0	114.4	Q456 E457 Q458	Q456-S460 PolarHBondContact O-N 3.07Å; Q456-S460 PolarHBondContact O-OG 3.35Å; E457-S460 WeakPolarHBondContact CA-OG 3.43Å; E457-S460 PolarHBondContact O-OG 3.38Å; E457-S460 VanDerWaalsContact O-OG 3.07Å; Q458-S460 VanDerWaalsContact C-N 3.32Å; Q458-S460 PolarHBondContact O-N 3Å
461	K	46.6	Very low	44.3	Very low	182 Å²	182	126.7 Å²	126.7	79%	0.791	70%	0.701	S	S	*	*	S	Bend	trans	-104.1	3.5	-177.2	-89.6	-179.6	175.6	169.9	0	116.9
462	E	38.7	Very low	43.1	Very low	192 Å²	192	126.7 Å²	126.7	90%	0.897	71%	0.713	S	S	*	*	S	Bend	trans	-89.8	11.4	177.9	-76.5	-167.4	145.9	0	0	114.9
463	A	41.9	Very low	42.6	Very low	98 Å²	98	128 Å²	128	81%	0.81	73%	0.731	S	S	*	*	S	Bend	trans	-147.7	66.4	-177.8	0	0	0	0	0	115.7
464	A	30.5	Very low	41.6	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	76%	0.757	S	S	*	*			trans	-161.7	148.3	154.7	0	0	0	0	0	111.7
465	A	36	Very low	40.6	Very low	100 Å²	100	135.5 Å²	135.5	83%	0.826	77%	0.767	S	S	*	*			trans	-89.1	170.5	175.6	0	0	0	0	0	112.6
466	E	37.4	Very low	39.4	Very low	194 Å²	194	142.5 Å²	142.5	91%	0.907	79%	0.788	S	S	*	*			trans	-55	143.7	-175.5	-58.7	173.9	145.2	0	0	114.7
467	V	34.4	Very low	38.6	Very low	129 Å²	129	139.1 Å²	139.1	78%	0.782	79%	0.792	S	S	*	*			trans	-138.5	113.3	150.8	-178.4	0	0	0	0	108.8	M469	V467-M469 HydrophobicContact CG1-CG 4.01Å
468	E	36.5	Very low	37.7	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	80%	0.803	S	S	*	*			trans	-76.8	125.3	168	179.9	-177.1	-169.7	0	0	109.6
469	M	35.6	Very low	37.1	Very low	166 Å²	166	141.6 Å²	141.6	82%	0.818	81%	0.811	S	S	*	*			trans	-139.9	98.2	168	-73.9	-64.4	-75.9	0	0	109.8	V467	V467-M469 HydrophobicContact CG1-CG 4.01Å
470	S	35.3	Very low	36.9	Very low	96 Å²	96	146.2 Å²	146.2	67%	0.671	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-72.4	139	172	48.8	0	0	0	0	111.3
471	I	35.5	Very low	36.7	Very low	160 Å²	160	148 Å²	148	82%	0.821	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-95.4	116	167.6	-60.3	177.7	0	0	0	107.4	G473	I471-G473 PolarHBondContact O-N 2.66Å
472	P	31.1	Very low	36.1	Very low	125 Å²	125	148.3 Å²	148.3	81%	0.812	84%	0.835	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	129.8	179.8	-20.8	33.3	0	0	0	112.1
473	G	47.2	Very low	36.1	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	130.7	-4	163.4	0	0	0	0	0	118.2	I471	I471-G473 PolarHBondContact O-N 2.66Å
474	L	36	Very low	35.7	Very low	179 Å²	179	148.7 Å²	148.7	94%	0.937	83%	0.829	S	S	*	*			trans	-116.4	94.6	170.8	-103.9	78.8	0	0	0	110.4
475	D	34.6	Very low	35.7	Very low	141 Å²	141	150.4 Å²	150.4	75%	0.754	82%	0.824	S	S	*	*			trans	-137.2	82.1	179.3	-174.8	21.6	0	0	0	110.5
476	W	36.3	Very low	35.3	Very low	259 Å²	259	150.4 Å²	150.4	98%	0.981	82%	0.818	S	S	*	*			trans	-149.5	125.4	160.9	-74.4	102.3	0	0	0	108.6
477	G	33.4	Very low	35.1	Very low	72 Å²	72	150.7 Å²	150.7	74%	0.742	82%	0.816	S	S	*	*			trans	-69.4	138.3	-162.4	0	0	0	0	0	115.8	D479	G477-D479 VanDerWaalsContact C-N 3.29Å; G477-D479 PolarHBondContact O-N 3.5Å
478	M	32.8	Very low	35.2	Very low	182 Å²	182	154.3 Å²	154.3	90%	0.897	82%	0.821	S	S	*	*			trans	-92.4	45.8	171.7	-169.4	127	74.9	0	0	112.2
479	D	36.6	Very low	35.1	Very low	164 Å²	164	152.1 Å²	152.1	88%	0.877	82%	0.82	S	S	*	*	S	Bend	trans	-103.5	-2.7	-179.7	-105.7	-24	0	0	0	114.2	G477	G477-D479 VanDerWaalsContact C-N 3.29Å; G477-D479 PolarHBondContact O-N 3.5Å
480	E	36.8	Very low	35.1	Very low	190 Å²	190	150.1 Å²	150.1	89%	0.888	82%	0.82	S	S	*	*	S	Bend	trans	-116.9	1.8	-177	-80.1	-163.8	133.4	0	0	116.4
481	V	38	Very low	35.1	Very low	126 Å²	126	154.3 Å²	154.3	76%	0.764	83%	0.829	S	S	*	*	S	Bend	trans	-125.9	43.5	-175.6	-160.3	0	0	0	0	114
482	M	34.5	Very low	35.1	Very low	188 Å²	188	156.6 Å²	156.6	93%	0.926	83%	0.832	S	S	*	*			trans	-141.9	17.9	161.3	-93.8	-52.9	-158.7	0	0	114.7	R484	M482-R484 PolarHBondContact O-N 3.5Å
483	G	37.9	Very low	35.2	Very low	69 Å²	69	160.3 Å²	160.3	71%	0.711	84%	0.836	S	S	*	*			trans	-90.5	79.6	176.7	0	0	0	0	0	114.3
484	R	32.8	Very low	35.1	Very low	230 Å²	230	162.9 Å²	162.9	87%	0.868	84%	0.836	S	S	*	*			trans	-179.8	132.1	142.8	-98.8	157.2	-152.4	-168.8	7.2	115	M482	M482-R484 PolarHBondContact O-N 3.5Å
485	D	30.5	Very low	35.1	Very low	139 Å²	139	160.1 Å²	160.1	74%	0.743	83%	0.829	S	S	*	*			trans	66.8	94.9	148.5	-59.6	-36.5	0	0	0	123.5
486	S	27.9	Very low	35.3	Very low	100 Å²	100	162.3 Å²	162.3	70%	0.699	83%	0.828	S	S	*	*				85.9	122.2	126.5	82.3	0	0	0	0	118.3
487	K	33.3	Very low	35.7	Very low	200 Å²	200	154.3 Å²	154.3	87%	0.87	82%	0.817	S	S	*	*				-158.9	155.7	61.3	-87.1	162.5	-179.4	163.1	0	113.2
488	K	36.5	Very low	36.5	Very low	204 Å²	204	159.7 Å²	159.7	89%	0.887	82%	0.82	S	S	*	*			trans	-80.6	147.6	-179.7	-66.6	176.8	176.8	177.7	0	113
489	V	35.3	Very low	37.7	Very low	130 Å²	130	155.2 Å²	155.2	79%	0.788	81%	0.805	S	S	*	*			trans	-61.8	138.8	167.4	-178.1	0	0	0	0	110.4	Q491	V489-Q491 PolarHBondContact O-N 3.04Å
490	P	34.1	Very low	38.3	Very low	125 Å²	125	151.9 Å²	151.9	81%	0.812	79%	0.786	S	S	*	*			trans	-75.7	111.9	-179.7	-11	27.1	0	0	0	112.1
491	Q	37.1	Very low	39.7	Very low	184 Å²	184	147 Å²	147	86%	0.86	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-83.7	132.7	163.5	-73.6	-167.3	-18.2	0	0	110.7	V489	V489-Q491 PolarHBondContact O-N 3.04Å
492	K	33.8	Very low	40.5	Very low	207 Å²	207	144.1 Å²	144.1	90%	0.9	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-64.3	132.8	172.8	-92.2	179	175	172.2	0	110.2
493	K	33.9	Very low	41.6	Very low	204 Å²	204	142.7 Å²	142.7	89%	0.887	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-72.7	128.3	-178.7	-61	175.9	-179.4	177.8	0	111
494	V	44.8	Very low	42.3	Very low	128 Å²	128	145.4 Å²	145.4	78%	0.776	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-80.1	140	157.5	-176.8	0	0	0	0	107.8	Y496	V494-Y496 PolarHBondContact O-N 3.46Å
495	P	36.4	Very low	43.4	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-57.6	128.2	174.1	-25.2	35.3	0	0	0	111.7	A497	P495-A497 PolarHBondContact O-N 3.24Å; P495-A497 VanDerWaalsContact O-N 3.08Å
496	Y	39.1	Very low	44.3	Very low	186 Å²	186	138.6 Å²	138.6	73%	0.729	72%	0.717	S	S	*	*			trans	-76	96.5	-175	-171.7	-93.8	0	0	0	110.9	V494 K498 P499	V494-Y496 PolarHBondContact O-N 3.46Å; Y496-K498 HydrophobicContact CD1-CG 4.43Å; Y496-K498 HydrophobicContact CE1-CG 4.31Å; Y496-K498 PolarHBondContact O-N 3.14Å; Y496-P499 WeakPolarHBondContact OH-CD 3.32Å
497	A	44.1	Very low	45.5	Very low	91 Å²	91	136.9 Å²	136.9	75%	0.752	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-66.7	124.5	159	0	0	0	0	0	108.1	P495	P495-A497 PolarHBondContact O-N 3.24Å; P495-A497 VanDerWaalsContact O-N 3.08Å
498	K	51.3	Low	46.2	Very low	185 Å²	185	136.9 Å²	136.9	80%	0.804	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.6	138	179.5	-72.2	-179.9	177.2	179.4	0	109.8	Y496 I500	Y496-K498 HydrophobicContact CD1-CG 4.43Å; Y496-K498 HydrophobicContact CE1-CG 4.31Å; Y496-K498 PolarHBondContact O-N 3.14Å; K498-I500 PolarHBondContact O-N 3.12Å
499	P	56.2	Low	47	Very low	89 Å²	89	131.1 Å²	131.1	58%	0.578	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-54.7	139.9	169.9	-22.9	32.8	0	0	0	110.2	Y496	Y496-P499 WeakPolarHBondContact OH-CD 3.32Å
500	I	50	Low	47.5	Very low	93 Å²	93	132 Å²	132	48%	0.477	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-58.1	128.1	171.5	-61.4	174.3	0	0	0	107.2	K498 A502 F504 Q505	K498-I500 PolarHBondContact O-N 3.12Å; I500-A502 PolarHBondContact O-N 3.37Å; I500-F504 HydrophobicContact CG2-CB 3.99Å; I500-F504 HydrophobicContact CG2-CD1 3.62Å; I500-F504 HydrophobicContact CG2-CG 4.2Å; I500-Q505 HydrophobicContact CG2-CG 4.06Å
501	P	66.8	Low	48	Very low	87 Å²	87	131.3 Å²	131.3	57%	0.565	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.9	135.3	178.6	-26.2	34.9	0	0	0	110.7	Q503 F504 Q505	P501-Q503 PolarHBondContact O-N 2.84Å; P501-Q503 VanDerWaalsContact O-N 3.1Å; P501-F504 HydrophobicContact CB-CB 4.46Å; P501-F504 WeakPolarHBondContact O-CA 3.5Å; P501-F504 WeakPolarHBondContact O-CB 3.4Å; P501-F504 PolarHBondContact O-N 3.48Å; P501-Q505 PolarHBondContact O-N 2.82Å; P501-Q505 VanDerWaalsContact O-N 3.13Å
502	A	54	Low	47.9	Very low	66 Å²	66	132.2 Å²	132.2	55%	0.545	68%	0.68	S	S	.	*	H	α-helix	trans	-54.7	-35.2	-177.5	0	0	0	0	0	112.3	I500 F504 Q505 Q506	I500-A502 PolarHBondContact O-N 3.37Å; A502-F504 VanDerWaalsContact C-N 3.34Å; A502-F504 PolarHBondContact O-N 2.87Å; A502-Q505 PolarHBondContact O-N 3.37Å; A502-Q506 WeakPolarHBondContact O-CB 3.35Å; A502-Q506 WeakPolarHBondContact O-CG 3.49Å; A502-Q506 PolarHBondContact O-N 3Å
503	Q	57.9	Low	47.6	Very low	158 Å²	158	127.5 Å²	127.5	74%	0.738	67%	0.669	S	S	*	*	H	α-helix	trans	-62.4	-33.3	173.2	-72	177.1	-26.9	0	0	113.9	P501 A507	P501-Q503 PolarHBondContact O-N 2.84Å; P501-Q503 VanDerWaalsContact O-N 3.1Å; Q503-A507 WeakPolarHBondContact O-CB 3.37Å; Q503-A507 PolarHBondContact O-N 3.15Å
504	F	53.1	Low	47.4	Very low	126 Å²	126	123.1 Å²	123.1	55%	0.553	66%	0.661	S	S	*	*	H	α-helix	trans	-76.1	-37.4	175.5	-170.8	-87.7	0	0	0	111.1	I500 P501 A502 W508	I500-F504 HydrophobicContact CG2-CB 3.99Å; I500-F504 HydrophobicContact CG2-CD1 3.62Å; I500-F504 HydrophobicContact CG2-CG 4.2Å; P501-F504 HydrophobicContact CB-CB 4.46Å; P501-F504 WeakPolarHBondContact O-CA 3.5Å; P501-F504 WeakPolarHBondContact O-CB 3.4Å; P501-F504 PolarHBondContact O-N 3.48Å; A502-F504 VanDerWaalsContact C-N 3.34Å; A502-F504 PolarHBondContact O-N 2.87Å; F504-W508 HydrophobicContact CE1-CE3 4.43Å; F504-W508 VanDerWaalsContact O-CB 3.28Å; F504-W508 WeakPolarHBondContact O-CB 3.14Å; F504-W508 PolarHBondContact O-N 3.11Å
505	Q	54.4	Low	46.8	Very low	119 Å²	119	124 Å²	124	56%	0.556	66%	0.659	S	S	*	*	H	α-helix	trans	-66	-37.2	171.7	-105.6	173.5	-20	0	0	112.5	I500 P501 A502 A509	I500-Q505 HydrophobicContact CG2-CG 4.06Å; P501-Q505 PolarHBondContact O-N 2.82Å; P501-Q505 VanDerWaalsContact O-N 3.13Å; A502-Q505 PolarHBondContact O-N 3.37Å; Q505-A509 VanDerWaalsContact O-CB 3.32Å; Q505-A509 WeakPolarHBondContact O-CB 3.3Å; Q505-A509 PolarHBondContact O-N 3.22Å
506	Q	51.2	Low	46.5	Very low	107 Å²	107	125.2 Å²	125.2	50%	0.5	66%	0.655	S	S	.	*	H	α-helix	trans	-70.5	-45	173.3	-75	172.4	-46.9	0	0	111.7	A502 W508 A509 E510	A502-Q506 WeakPolarHBondContact O-CB 3.35Å; A502-Q506 WeakPolarHBondContact O-CG 3.49Å; A502-Q506 PolarHBondContact O-N 3Å; Q506-W508 VanDerWaalsContact C-N 3.25Å; Q506-W508 PolarHBondContact O-N 3.37Å; Q506-A509 CarbonylContact O-C 3.59Å; Q506-A509 PolarHBondContact O-N 3.21Å; Q506-E510 WeakPolarHBondContact O-CB 3.31Å; Q506-E510 WeakPolarHBondContact O-CG 3.41Å; Q506-E510 PolarHBondContact O-N 3.15Å
507	A	51.8	Low	46.5	Very low	64 Å²	64	120.9 Å²	120.9	53%	0.529	65%	0.65	S	S	.	*	H	α-helix	trans	-61.5	-33.1	175.1	0	0	0	0	0	112.9	Q503	Q503-A507 WeakPolarHBondContact O-CB 3.37Å; Q503-A507 PolarHBondContact O-N 3.15Å
508	W	49.2	Very low	46.3	Very low	201 Å²	201	121.1 Å²	121.1	76%	0.761	64%	0.644	S	S	*	*	H	α-helix	trans	-71.1	-34.7	171.9	-169.8	-82.5	0	0	0	112.7	F504 Q506	F504-W508 HydrophobicContact CE1-CE3 4.43Å; F504-W508 VanDerWaalsContact O-CB 3.28Å; F504-W508 WeakPolarHBondContact O-CB 3.14Å; F504-W508 PolarHBondContact O-N 3.11Å; Q506-W508 VanDerWaalsContact C-N 3.25Å; Q506-W508 PolarHBondContact O-N 3.37Å
509	A	53.2	Low	45.2	Very low	83 Å²	83	117 Å²	117	69%	0.686	64%	0.638	S	S	*	*	H	α-helix	trans	-80.6	-32.2	179.6	0	0	0	0	0	113.8	Q505 Q506 N511	Q505-A509 VanDerWaalsContact O-CB 3.32Å; Q505-A509 WeakPolarHBondContact O-CB 3.3Å; Q505-A509 PolarHBondContact O-N 3.22Å; Q506-A509 CarbonylContact O-C 3.59Å; Q506-A509 PolarHBondContact O-N 3.21Å; A509-N511 VanDerWaalsContact C-N 3.32Å
510	E	46.1	Very low	43.8	Very low	147 Å²	147	117.1 Å²	117.1	69%	0.687	65%	0.647	S	S	*	*	S	Bend	trans	-83.9	-6.8	-178.7	-71.3	-178.6	-176.6	0	0	113.6	Q506 K512	Q506-E510 WeakPolarHBondContact O-CB 3.31Å; Q506-E510 WeakPolarHBondContact O-CG 3.41Å; Q506-E510 PolarHBondContact O-N 3.15Å; E510-K512 VanDerWaalsContact C-N 3.3Å; E510-K512 PolarHBondContact O-N 3.28Å
511	N	43.5	Very low	42.8	Very low	112 Å²	112	119.5 Å²	119.5	60%	0.599	66%	0.661	S	S	*	*			trans	5.6	64.5	179.2	-160	14.4	0	0	0	117.4	A509 V513	A509-N511 VanDerWaalsContact C-N 3.32Å; N511-V513 VanDerWaalsContact C-N 3.25Å; N511-V513 PolarHBondContact O-N 3.08Å
512	K	34.6	Very low	40.9	Very low	202 Å²	202	122.6 Å²	122.6	88%	0.878	67%	0.672	S	S	*	*			trans	-86	65.8	162.8	-79.9	-169.5	177.6	179	0	110.5	E510	E510-K512 VanDerWaalsContact C-N 3.3Å; E510-K512 PolarHBondContact O-N 3.28Å
513	V	28.4	Very low	39.8	Very low	109 Å²	109	124.2 Å²	124.2	66%	0.661	68%	0.679	S	S	*	*			trans	-93.8	113.6	142.7	-172.9	0	0	0	0	105.6	N511 M515	N511-V513 VanDerWaalsContact C-N 3.25Å; N511-V513 PolarHBondContact O-N 3.08Å; V513-M515 PolarHBondContact O-N 3.42Å
514	P	29.9	Very low	38.4	Very low	111 Å²	111	126 Å²	126	72%	0.721	68%	0.684	S	S	*	*			trans	-56.8	114.7	173.8	-24.9	35.2	0	0	0	109.1
515	M	31.8	Very low	37.1	Very low	147 Å²	147	126.7 Å²	126.7	72%	0.724	69%	0.694	S	S	*	*				56.6	120.4	80.7	-70.7	-74.1	-96.4	0	0	109.2	V513	V513-M515 PolarHBondContact O-N 3.42Å
516	M	30.4	Very low	35.7	Very low	146 Å²	146	131.3 Å²	131.3	72%	0.719	71%	0.706	S	S	*	*			cis	-176.2	179.8	35.2	-118.2	-171.4	137.9	0	0	109.3
517	P	39.2	Very low	34.7	Very low	96 Å²	96	133.5 Å²	133.5	62%	0.623	72%	0.722	S	S	*	*			cis	-164.2	-146.7	-49.3	47	-25.2	0	0	0	116.5
518	P	38.3	Very low	33.5	Very low	96 Å²	96	138.4 Å²	138.4	62%	0.623	74%	0.738	S	S	*	*			cis	-128.6	-178.6	-39.5	22	-0.2	0	0	0	113.9
519	S	28.6	Very low	32.5	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	74%	0.737	S	S	*	*			trans	58.2	113.3	140.1	57.8	0	0	0	0	118.4
520	A	28	Very low	31.7	Very low	92 Å²	92	140.3 Å²	140.3	76%	0.76	74%	0.741	S	S	*	*			cis	67.2	154.4	33.6	0	0	0	0	0	115.3
521	D	27.5	Very low	30.8	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	75%	0.752	S	S	*	*			trans	89.1	137.7	-177.5	-65.3	-0.9	0	0	0	116.8
522	L	27.4	Very low	30.5	Very low	151 Å²	151	144.4 Å²	144.4	79%	0.791	76%	0.762	S	S	*	*			cis	-154.3	154.2	-10.9	-116.7	166.5	0	0	0	109.6
523	S	31.9	Very low	30.2	Very low	101 Å²	101	144 Å²	144	71%	0.706	76%	0.764	S	S	*	*			trans	-89.7	116.3	172.7	53.2	0	0	0	0	111.7
524	K	28.1	Very low	30.5	Very low	194 Å²	194	142.4 Å²	142.4	84%	0.843	77%	0.769	S	S	*	*			trans	157.8	106.2	142.5	-88.6	162.6	-177	179.9	0	110.2
525	D	24.8	Very low	30.9	Very low	141 Å²	141	147.1 Å²	147.1	75%	0.754	78%	0.778	S	S	*	*				-173.1	146.1	101	-109.6	-31.9	0	0	0	113
526	R	25.9	Very low	31.7	Very low	216 Å²	216	150 Å²	150	82%	0.815	79%	0.786	S	S	*	*			trans	31.5	131.3	146.6	-58.9	165.7	90.5	177.3	6	121
527	N	30.3	Very low	33.3	Very low	154 Å²	154	149 Å²	149	82%	0.824	78%	0.778	S	S	*	*			trans	24.8	114.8	144.8	-77.6	-6.9	0	0	0	118.5
528	L	25.6	Very low	34.9	Very low	167 Å²	167	148.2 Å²	148.2	87%	0.874	77%	0.772	S	S	*	*				178.2	177	119.8	-94.7	156.8	0	0	0	111.6
529	E	28.9	Very low	35.8	Very low	157 Å²	157	150.4 Å²	150.4	73%	0.734	77%	0.774	S	S	*	*			trans	-83.1	165	-163.8	-60.3	168.3	107.9	0	0	115.6
530	Q	36.3	Very low	37.7	Very low	167 Å²	167	149 Å²	149	78%	0.78	77%	0.768	S	S	*	*			trans	31.3	116.2	148.8	-62.4	177.1	22.1	0	0	120.3
531	K	27.5	Very low	39.8	Very low	209 Å²	209	149.2 Å²	149.2	91%	0.909	75%	0.753	S	S	*	*				-173.7	165.6	111.1	-108.3	175.6	179	177.8	0	115
532	V	36.8	Very low	41.8	Very low	135 Å²	135	145 Å²	145	82%	0.818	73%	0.73	S	S	*	*			trans	-86.6	140.8	-178.5	169.3	0	0	0	0	111.4
533	E	29	Very low	44	Very low	195 Å²	195	142.8 Å²	142.8	91%	0.911	72%	0.716	S	S	*	*			trans	-164	140.8	136.7	-116.9	172.5	-160.7	0	0	112.5
534	G	35.2	Very low	46.1	Very low	74 Å²	74	144.9 Å²	144.9	76%	0.763	72%	0.715	S	S	*	*			trans	-104.1	127.6	-178.1	0	0	0	0	0	112.3
535	K	37	Very low	48.3	Very low	211 Å²	211	139.1 Å²	139.1	92%	0.917	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-80.4	126.5	172.1	-72.3	-176	175.5	-179.4	0	110.7
536	K	48.3	Very low	50.7	Low	207 Å²	207	133.6 Å²	133.6	90%	0.9	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-70.2	133.3	165.9	-70.1	-176.4	176.9	-177.3	0	109.3
537	K	65.6	Low	53.1	Low	124 Å²	124	125.9 Å²	125.9	54%	0.539	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-60.6	150.6	166.5	-74.6	-178.9	171.1	-178.8	0	109.9	E545	K537-E545 IonicContact NZ-OE1 3.4Å; K537-E545 PolarHBondContact NZ-OE1 3.31Å; K537-E545 IonicContact NZ-OE2 2.62Å; K537-E545 PolarHBondContact NZ-OE2 3.12Å
538	T	71.4	Confident	55.3	Low	80 Å²	80	121.4 Å²	121.4	49%	0.491	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-79.5	155.3	175.5	64.6	0	0	0	0	111.5	A540 E541 L542	T538-A540 VanDerWaalsContact C-N 3.28Å; T538-A540 PolarHBondContact O-N 3.49Å; T538-E541 WeakPolarHBondContact CB-OE2 3.49Å; T538-E541 PolarHBondContact N-OE2 3.01Å; T538-E541 PolarHBondContact O-N 3.03Å; T538-E541 VanDerWaalsContact OG1-CD 3.28Å; T538-E541 WeakPolarHBondContact OG1-CG 3.46Å; T538-E541 PolarHBondContact OG1-OE2 3.43Å; T538-L542 PolarHBondContact O-N 3.3Å
539	Q	57.9	Low	57.8	Low	143 Å²	143	114.5 Å²	114.5	67%	0.668	59%	0.591	S	S	*	*	H	α-helix	trans	-60.6	-37.4	-177.4	-177.6	174.1	-17.4	0	0	112.5	E541 L542 E543	Q539-E541 PolarHBondContact O-N 2.8Å; Q539-L542 WeakPolarHBondContact O-CB 3.49Å; Q539-L542 PolarHBondContact O-N 3.3Å; Q539-E543 PolarHBondContact NE2-OE1 3.02Å; Q539-E543 PolarHBondContact O-N 3.2Å
540	A	67.7	Low	59.6	Low	68 Å²	68	112.5 Å²	112.5	56%	0.562	58%	0.582	S	S	*	*	H	α-helix	trans	-64.2	-38.7	177.9	0	0	0	0	0	113	T538 L542 E543 Q544	T538-A540 VanDerWaalsContact C-N 3.28Å; T538-A540 PolarHBondContact O-N 3.49Å; A540-L542 VanDerWaalsContact C-N 3.29Å; A540-L542 PolarHBondContact O-N 3.05Å; A540-E543 PolarHBondContact O-N 2.95Å; A540-Q544 WeakPolarHBondContact O-CB 3.25Å; A540-Q544 PolarHBondContact O-N 3.04Å
541	E	72	Confident	60.9	Low	96 Å²	96	114.3 Å²	114.3	45%	0.449	58%	0.583	S	S	.	*	H	α-helix	trans	-64.8	-36.2	174.5	-68.5	166.5	123.5	0	0	111.3	T538 Q539 Q544 E545	T538-E541 WeakPolarHBondContact CB-OE2 3.49Å; T538-E541 PolarHBondContact N-OE2 3.01Å; T538-E541 PolarHBondContact O-N 3.03Å; T538-E541 VanDerWaalsContact OG1-CD 3.28Å; T538-E541 WeakPolarHBondContact OG1-CG 3.46Å; T538-E541 PolarHBondContact OG1-OE2 3.43Å; Q539-E541 PolarHBondContact O-N 2.8Å; E541-Q544 PolarHBondContact O-N 3.46Å; E541-E545 WeakPolarHBondContact O-CB 3.41Å; E541-E545 PolarHBondContact O-N 3.46Å
542	L	69.6	Low	62.8	Low	55 Å²	55	109.5 Å²	109.5	29%	0.288	57%	0.571	S	S	.	*	H	α-helix	trans	-72.1	-38.6	-180	-129	151.2	0	0	0	112	T538 Q539 A540 M546	T538-L542 PolarHBondContact O-N 3.3Å; Q539-L542 WeakPolarHBondContact O-CB 3.49Å; Q539-L542 PolarHBondContact O-N 3.3Å; A540-L542 VanDerWaalsContact C-N 3.29Å; A540-L542 PolarHBondContact O-N 3.05Å; L542-M546 HydrophobicContact CD2-CE 4.21Å; L542-M546 WeakPolarHBondContact O-CB 3.34Å; L542-M546 WeakPolarHBondContact O-CG 3.26Å; L542-M546 PolarHBondContact O-N 3.45Å
543	E	74.5	Confident	64.6	Low	104 Å²	104	106.6 Å²	106.6	49%	0.486	55%	0.551	S	S	.	*	H	α-helix	trans	-66.9	-39.3	171.6	-73.7	172.9	-167.1	0	0	111.9	Q539 A540 M546 A547	Q539-E543 PolarHBondContact NE2-OE1 3.02Å; Q539-E543 PolarHBondContact O-N 3.2Å; A540-E543 PolarHBondContact O-N 2.95Å; E543-M546 HydrophobicContact CG-CE 4.49Å; E543-M546 PolarHBondContact O-N 3.04Å; E543-A547 WeakPolarHBondContact O-CB 3.49Å; E543-A547 PolarHBondContact O-N 3.05Å
544	Q	74.8	Confident	66.8	Low	146 Å²	146	101.4 Å²	101.4	68%	0.682	53%	0.534	S	S	*	.	H	α-helix	trans	-67.7	-38.2	176.2	-164.4	172.7	18.4	0	0	112.3	A540 E541 A547 A548	A540-Q544 WeakPolarHBondContact O-CB 3.25Å; A540-Q544 PolarHBondContact O-N 3.04Å; E541-Q544 PolarHBondContact O-N 3.46Å; Q544-A547 PolarHBondContact O-N 2.73Å; Q544-A548 PolarHBondContact O-N 3.4Å; Q544-A548 VanDerWaalsContact O-N 3.08Å
545	E	76.3	Confident	68.5	Low	72 Å²	72	104.3 Å²	104.3	34%	0.336	53%	0.528	S	S	.	.	H	α-helix	trans	-65.3	-42.6	172.7	-168.8	168.1	-177.5	0	0	111.1	K537 E541 A548 L549	K537-E545 IonicContact NZ-OE1 3.4Å; K537-E545 PolarHBondContact NZ-OE1 3.31Å; K537-E545 IonicContact NZ-OE2 2.62Å; K537-E545 PolarHBondContact NZ-OE2 3.12Å; E541-E545 WeakPolarHBondContact O-CB 3.41Å; E541-E545 PolarHBondContact O-N 3.46Å; E545-A548 PolarHBondContact O-N 3.07Å; E545-L549 HydrophobicContact CG-CD1 4.38Å; E545-L549 VanDerWaalsContact O-CG 3.26Å; E545-L549 WeakPolarHBondContact O-CG 3.47Å; E545-L549 PolarHBondContact O-N 2.91Å
546	M	73.9	Confident	70.5	Confident	26 Å²	26	97.2 Å²	97.2	13%	0.128	50%	0.5	C	S	.	.	H	α-helix	trans	-63.5	-40	174	-79.8	-164.3	-79.3	0	0	113.5	L542 E543 L549 Q550 L557 K561	L542-M546 HydrophobicContact CD2-CE 4.21Å; L542-M546 WeakPolarHBondContact O-CB 3.34Å; L542-M546 WeakPolarHBondContact O-CG 3.26Å; L542-M546 PolarHBondContact O-N 3.45Å; E543-M546 HydrophobicContact CG-CE 4.49Å; E543-M546 PolarHBondContact O-N 3.04Å; M546-L549 PolarHBondContact O-N 2.99Å; M546-Q550 PolarHBondContact O-N 3.27Å; M546-Q550 VanDerWaalsContact O-N 3.13Å; M546-L557 HydrophobicContact CB-CD1 3.52Å; M546-L557 HydrophobicContact CG-CD1 3.45Å; M546-L557 VanDerWaalsContact CG-CD1 3.45Å; M546-L557 HydrophobicContact SD-CD1 3.88Å; M546-K561 HydrophobicContact SD-CG 4.28Å
547	A	75.8	Confident	72.1	Confident	53 Å²	53	88 Å²	88	44%	0.438	46%	0.46	S	S	.	.	H	α-helix	trans	-65.7	-38.9	176.4	0	0	0	0	0	112.3	E543 Q544 Q550	E543-A547 WeakPolarHBondContact O-CB 3.49Å; E543-A547 PolarHBondContact O-N 3.05Å; Q544-A547 PolarHBondContact O-N 2.73Å; A547-Q550 WeakPolarHBondContact O-CB 3.39Å; A547-Q550 PolarHBondContact O-N 3.47Å
548	A	76.9	Confident	72.7	Confident	60 Å²	60	87.9 Å²	87.9	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-66.4	-38.3	174	0	0	0	0	0	112.3	Q544 E545 Q550 T552	Q544-A548 PolarHBondContact O-N 3.4Å; Q544-A548 VanDerWaalsContact O-N 3.08Å; E545-A548 PolarHBondContact O-N 3.07Å; A548-Q550 VanDerWaalsContact C-N 3.29Å; A548-Q550 PolarHBondContact O-N 3.27Å; A548-T552 PolarHBondContact O-N 2.91Å; A548-T552 PolarHBondContact O-OG1 3.24Å
549	L	78.9	Confident	72.7	Confident	22 Å²	22	89.9 Å²	89.9	12%	0.115	47%	0.465	C	S	.	.	H	α-helix	trans	-68.3	-25	177.5	-71.8	169.7	0	0	0	113.4	E545 M546 Y551 T552 N553 L556 L557 M560	E545-L549 HydrophobicContact CG-CD1 4.38Å; E545-L549 VanDerWaalsContact O-CG 3.26Å; E545-L549 WeakPolarHBondContact O-CG 3.47Å; E545-L549 PolarHBondContact O-N 2.91Å; M546-L549 PolarHBondContact O-N 2.99Å; L549-Y551 PolarHBondContact O-N 3.09Å; L549-Y551 VanDerWaalsContact O-N 3.16Å; L549-T552 WeakPolarHBondContact CA-OG1 3.19Å; L549-T552 PolarHBondContact O-N 2.68Å; L549-N553 HydrophobicContact CD2-CB 4.04Å; L549-N553 CarbonylContact O-C 3.59Å; L549-N553 PolarHBondContact O-N 3.26Å; L549-L556 HydrophobicContact CD1-CD2 4.39Å; L549-L556 HydrophobicContact CD1-CG 4.48Å; L549-L556 HydrophobicContact CD2-CD2 3.99Å; L549-L557 HydrophobicContact CB-CB 4.05Å; L549-M560 HydrophobicContact CD1-CE 3.6Å; L549-M560 HydrophobicContact CD1-SD 4.24Å
550	Q	66.5	Low	73.3	Confident	115 Å²	115	85.3 Å²	85.3	54%	0.537	45%	0.445	S	S	.	.	H	α-helix	trans	-58.4	-29.1	179	-171.2	166.8	2.5	0	0	113.7	M546 A547 A548 L557	M546-Q550 PolarHBondContact O-N 3.27Å; M546-Q550 VanDerWaalsContact O-N 3.13Å; A547-Q550 WeakPolarHBondContact O-CB 3.39Å; A547-Q550 PolarHBondContact O-N 3.47Å; A548-Q550 VanDerWaalsContact C-N 3.29Å; A548-Q550 PolarHBondContact O-N 3.27Å; Q550-L557 HydrophobicContact CB-CD2 3.89Å; Q550-L557 HydrophobicContact CG-CD2 4.32Å
551	Y	63.5	Low	73.6	Confident	205 Å²	205	87 Å²	87	80%	0.804	44%	0.439	S	S	*	.	H	α-helix	trans	-107.9	-13.9	178.1	-66.1	-82.4	0	0	0	114.2	L549	L549-Y551 PolarHBondContact O-N 3.09Å; L549-Y551 VanDerWaalsContact O-N 3.16Å
552	T	68	Low	73.5	Confident	109 Å²	109	88.2 Å²	88.2	67%	0.669	45%	0.446	S	S	*	.	H	α-helix	trans	-111.6	-32.7	-173.5	57	0	0	0	0	114.2	A548 L549	A548-T552 PolarHBondContact O-N 2.91Å; A548-T552 PolarHBondContact O-OG1 3.24Å; L549-T552 WeakPolarHBondContact CA-OG1 3.19Å; L549-T552 PolarHBondContact O-N 2.68Å
553	N	73.3	Confident	73.3	Confident	73 Å²	73	89.1 Å²	89.1	39%	0.39	46%	0.457	S	S	.	.			trans	-158.6	82.5	175.7	-168.6	-17.9	0	0	0	111.7	L549 H555 L556 L557	L549-N553 HydrophobicContact CD2-CB 4.04Å; L549-N553 CarbonylContact O-C 3.59Å; L549-N553 PolarHBondContact O-N 3.26Å; N553-H555 VanDerWaalsContact C-N 3.29Å; N553-H555 PolarHBondContact O-N 3.25Å; N553-L556 HydrophobicContact CB-CB 4.27Å; N553-L556 PolarHBondContact O-N 3.22Å; N553-L556 PolarHBondContact OD1-N 3.47Å; N553-L557 PolarHBondContact O-N 3.11Å
554	P	75	Confident	72.6	Confident	87 Å²	87	88.1 Å²	88.1	57%	0.565	45%	0.452	S	S	*	.	H	α-helix	trans	-66.6	-25.4	-174.5	25.1	-34.2	0	0	0	114	L557 E558	P554-L557 WeakPolarHBondContact O-CB 3.4Å; P554-L557 PolarHBondContact O-N 3.18Å; P554-E558 PolarHBondContact O-N 3.23Å
555	H	72.6	Confident	71.5	Confident	135 Å²	135	87.9 Å²	87.9	63%	0.625	45%	0.453	S	S	*	.	H	α-helix	trans	-71.4	-35.4	177.6	-172.7	-72.2	0	0	0	112.1	N553 E558 Q559	N553-H555 VanDerWaalsContact C-N 3.29Å; N553-H555 PolarHBondContact O-N 3.25Å; H555-E558 PolarHBondContact O-N 3.32Å; H555-Q559 PolarHBondContact O-N 2.81Å; H555-Q559 VanDerWaalsContact O-N 3.15Å
556	L	78.3	Confident	70.4	Confident	62 Å²	62	91.4 Å²	91.4	33%	0.325	47%	0.474	S	S	.	.	H	α-helix	trans	-70.1	-35.7	174.2	-173.8	62.6	0	0	0	111.5	L549 N553 Q559 M560	L549-L556 HydrophobicContact CD1-CD2 4.39Å; L549-L556 HydrophobicContact CD1-CG 4.48Å; L549-L556 HydrophobicContact CD2-CD2 3.99Å; N553-L556 HydrophobicContact CB-CB 4.27Å; N553-L556 PolarHBondContact O-N 3.22Å; N553-L556 PolarHBondContact OD1-N 3.47Å; L556-Q559 PolarHBondContact O-N 3.43Å; L556-M560 HydrophobicContact CD2-CE 4.4Å; L556-M560 HydrophobicContact CG-CE 4.2Å; L556-M560 PolarHBondContact O-N 3.44Å
557	L	82.2	Confident	69.2	Low	13 Å²	13	94.1 Å²	94.1	7%	0.068	50%	0.496	C	S	.	.	H	α-helix	trans	-61.3	-42.9	172.8	176.5	60.1	0	0	0	112.2	M546 L549 Q550 N553 P554 M560 K561	M546-L557 HydrophobicContact CB-CD1 3.52Å; M546-L557 HydrophobicContact CG-CD1 3.45Å; M546-L557 VanDerWaalsContact CG-CD1 3.45Å; M546-L557 HydrophobicContact SD-CD1 3.88Å; L549-L557 HydrophobicContact CB-CB 4.05Å; Q550-L557 HydrophobicContact CB-CD2 3.89Å; Q550-L557 HydrophobicContact CG-CD2 4.32Å; N553-L557 PolarHBondContact O-N 3.11Å; P554-L557 WeakPolarHBondContact O-CB 3.4Å; P554-L557 PolarHBondContact O-N 3.18Å; L557-M560 PolarHBondContact O-N 2.81Å; L557-K561 HydrophobicContact CD1-CD 4.42Å; L557-K561 HydrophobicContact CG-CD 4.39Å; L557-K561 WeakPolarHBondContact O-CG 3.46Å; L557-K561 PolarHBondContact O-N 3.1Å
558	E	76.8	Confident	67.6	Low	121 Å²	121	97.9 Å²	97.9	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-39.6	177.4	-166.9	163.6	-149.6	0	0	111.9	P554 H555 K561 M562	P554-E558 PolarHBondContact O-N 3.23Å; H555-E558 PolarHBondContact O-N 3.32Å; E558-K561 PolarHBondContact O-N 3.34Å; E558-M562 PolarHBondContact O-N 3.02Å
559	Q	72.8	Confident	65.8	Low	122 Å²	122	98.5 Å²	98.5	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-64.5	-39.6	174.8	-164.1	174.2	35.8	0	0	112.8	H555 L556 S563	H555-Q559 PolarHBondContact O-N 2.81Å; H555-Q559 VanDerWaalsContact O-N 3.15Å; L556-Q559 PolarHBondContact O-N 3.43Å; Q559-S563 PolarHBondContact O-N 3.36Å; Q559-S563 VanDerWaalsContact O-N 3.13Å
560	M	70.3	Confident	64	Low	48 Å²	48	104.5 Å²	104.5	24%	0.236	55%	0.553	C	S	.	*	H	α-helix	trans	-65.4	-42.4	173.2	-71.3	-164.4	-157.3	0	0	112.1	L549 L556 L557 M562 S563 Q564	L549-M560 HydrophobicContact CD1-CE 3.6Å; L549-M560 HydrophobicContact CD1-SD 4.24Å; L556-M560 HydrophobicContact CD2-CE 4.4Å; L556-M560 HydrophobicContact CG-CE 4.2Å; L556-M560 PolarHBondContact O-N 3.44Å; L557-M560 PolarHBondContact O-N 2.81Å; M560-M562 PolarHBondContact O-N 3.29Å; M560-S563 PolarHBondContact O-N 2.96Å; M560-S563 VanDerWaalsContact O-N 3.11Å; M560-S563 PolarHBondContact O-OG 3.44Å; M560-Q564 PolarHBondContact O-N 3.31Å
561	K	74	Confident	62.5	Low	103 Å²	103	108 Å²	108	45%	0.448	57%	0.572	S	S	.	*	H	α-helix	trans	-61.9	-39.8	177.4	-73.9	174.4	177.7	178.3	0	112.7	M546 L557 E558 Q564 M565	M546-K561 HydrophobicContact SD-CG 4.28Å; L557-K561 HydrophobicContact CD1-CD 4.42Å; L557-K561 HydrophobicContact CG-CD 4.39Å; L557-K561 WeakPolarHBondContact O-CG 3.46Å; L557-K561 PolarHBondContact O-N 3.1Å; E558-K561 PolarHBondContact O-N 3.34Å; K561-Q564 PolarHBondContact O-N 3.09Å; K561-M565 PolarHBondContact O-N 3.11Å; K561-M565 VanDerWaalsContact O-N 3.15Å
562	M	70.6	Confident	61.1	Low	121 Å²	121	101.3 Å²	101.3	60%	0.596	57%	0.565	S	S	*	*	H	α-helix	trans	-63.8	-38.8	172.1	-78.7	-171.2	171.9	0	0	112.8	E558 M560 Q564 N566	E558-M562 PolarHBondContact O-N 3.02Å; M560-M562 PolarHBondContact O-N 3.29Å; M562-Q564 VanDerWaalsContact C-N 3.32Å; M562-Q564 PolarHBondContact O-N 3.3Å; M562-N566 PolarHBondContact O-N 3.24Å
563	S	64.3	Low	59.9	Low	74 Å²	74	102.1 Å²	102.1	52%	0.517	57%	0.572	S	S	.	*	H	α-helix	trans	-67.3	-32.6	176.9	72.5	0	0	0	0	113.1	Q559 M560 N566 S567	Q559-S563 PolarHBondContact O-N 3.36Å; Q559-S563 VanDerWaalsContact O-N 3.13Å; M560-S563 PolarHBondContact O-N 2.96Å; M560-S563 VanDerWaalsContact O-N 3.11Å; M560-S563 PolarHBondContact O-OG 3.44Å; S563-N566 PolarHBondContact O-N 3.46Å; S563-S567 PolarHBondContact O-N 3.44Å
564	Q	61	Low	58.2	Low	83 Å²	83	104.2 Å²	104.2	39%	0.388	59%	0.59	S	S	.	*	H	α-helix	trans	-73.8	-39.7	179.2	-149.1	174.5	36	0	0	112.3	M560 K561 M562 N566 S567 D568	M560-Q564 PolarHBondContact O-N 3.31Å; K561-Q564 PolarHBondContact O-N 3.09Å; M562-Q564 VanDerWaalsContact C-N 3.32Å; M562-Q564 PolarHBondContact O-N 3.3Å; Q564-N566 PolarHBondContact O-N 3.46Å; Q564-S567 WeakPolarHBondContact CA-OG 3.35Å; Q564-S567 PolarHBondContact O-N 3.07Å; Q564-S567 PolarHBondContact O-OG 3.33Å; Q564-D568 PolarHBondContact O-N 2.86Å
565	M	50.4	Low	56.1	Low	141 Å²	141	109.4 Å²	109.4	70%	0.695	61%	0.607	S	S	*	*	H	α-helix	trans	-61	-28	171.9	-79.4	-171.5	-74.3	0	0	113.1	K561	K561-M565 PolarHBondContact O-N 3.11Å; K561-M565 VanDerWaalsContact O-N 3.15Å
566	N	53.2	Low	54.2	Low	146 Å²	146	106.6 Å²	106.6	78%	0.781	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-15	173.7	-79.9	-13.2	0	0	0	114	M562 S563 Q564	M562-N566 PolarHBondContact O-N 3.24Å; S563-N566 PolarHBondContact O-N 3.46Å; Q564-N566 PolarHBondContact O-N 3.46Å
567	S	49.8	Very low	52.3	Low	84 Å²	84	110.1 Å²	110.1	59%	0.587	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-26.4	178.8	51.4	0	0	0	0	114.6	S563 Q564	S563-S567 PolarHBondContact O-N 3.44Å; Q564-S567 WeakPolarHBondContact CA-OG 3.35Å; Q564-S567 PolarHBondContact O-N 3.07Å; Q564-S567 PolarHBondContact O-OG 3.33Å
568	D	41.6	Very low	49.8	Very low	131 Å²	131	112.5 Å²	112.5	70%	0.701	67%	0.668	S	S	*	*	S	Bend	trans	-89.9	3.9	-178.4	-71.1	-40.8	0	0	0	114.1	Q564 N570	Q564-D568 PolarHBondContact O-N 2.86Å; D568-N570 PolarHBondContact O-N 3.14Å
569	G	39.5	Very low	47.5	Very low	73 Å²	73	112.3 Å²	112.3	75%	0.753	68%	0.68	S	S	*	*			trans	-72	17.1	-176.2	0	0	0	0	0	117
570	N	40.5	Very low	45.7	Very low	149 Å²	149	115 Å²	115	80%	0.797	70%	0.695	S	S	*	*			trans	-142.3	64	-173.6	-164.9	44.9	0	0	0	114.9	D568	D568-N570 PolarHBondContact O-N 3.14Å
571	M	34.5	Very low	45	Very low	188 Å²	188	117.3 Å²	117.3	93%	0.926	71%	0.714	S	S	*	*			trans	-144.4	134.2	157.6	-91.3	-62.7	-148.8	0	0	110.7
572	G	33.8	Very low	43.6	Very low	64 Å²	64	117.7 Å²	117.7	66%	0.66	73%	0.726	S	S	*	*			trans	-84	169.7	175.1	0	0	0	0	0	113.8
573	P	43.7	Very low	42	Very low	126 Å²	126	121.3 Å²	121.3	82%	0.818	74%	0.739	S	S	*	*			trans	-89.1	160.4	-162	35.6	-37.5	0	0	0	114.9
574	P	38.1	Very low	41.1	Very low	118 Å²	118	123.4 Å²	123.4	77%	0.766	75%	0.751	S	S	*	*				-139.5	134.3	124.8	34.7	-21	0	0	0	115.6
575	Q	30.9	Very low	39.9	Very low	196 Å²	196	122.5 Å²	122.5	92%	0.916	76%	0.764	S	S	*	*			trans	39.8	133.5	140.7	-55.8	-178.3	0.3	0	0	121.9
576	G	31.6	Very low	39.9	Very low	76 Å²	76	122.6 Å²	122.6	78%	0.784	78%	0.775	S	S	*	*			trans	-79.3	-154.7	179.6	0	0	0	0	0	115.8
577	P	39	Very low	38.8	Very low	136 Å²	136	119.3 Å²	119.3	88%	0.883	78%	0.776	S	S	*	*			cis	-144.1	-179.5	32.3	43.2	-24.1	0	0	0	118.2
578	G	29.5	Very low	37.9	Very low	63 Å²	63	119 Å²	119	65%	0.649	79%	0.787	S	S	*	*			trans	89	130.3	158.6	0	0	0	0	0	117.1
579	S	29.8	Very low	38.3	Very low	117 Å²	117	119.4 Å²	119.4	82%	0.818	80%	0.796	S	S	*	*				62.9	125.4	58.4	75.3	0	0	0	0	113.2
580	M	34.1	Very low	38	Very low	178 Å²	178	119.4 Å²	119.4	88%	0.877	80%	0.796	S	S	*	*			cis	-159.7	177.1	16.9	-103.9	-97.1	-72.2	0	0	110.6
581	P	55.1	Low	39.2	Very low	97 Å²	97	118.3 Å²	118.3	63%	0.63	80%	0.797	S	S	*	*			trans	-99.5	-170.8	-169	44.6	-39	0	0	0	113.4
582	P	45.8	Very low	40.5	Very low	110 Å²	110	115.6 Å²	115.6	71%	0.714	79%	0.794	S	S	*	*				-157.4	162.2	80.9	41.9	-21.3	0	0	0	119
583	F	36.5	Very low	40.4	Very low	197 Å²	197	115.8 Å²	115.8	86%	0.864	80%	0.795	S	S	*	*			trans	30.2	171.1	137.6	-80.9	-96.8	0	0	0	123.9
584	P	45.1	Very low	40.1	Very low	118 Å²	118	118.2 Å²	118.2	77%	0.766	80%	0.796	S	S	*	*			cis	-133.4	174.9	-0.5	28	-4.5	0	0	0	117.2
585	G	35.3	Very low	39.9	Very low	64 Å²	64	120 Å²	120	66%	0.66	79%	0.794	S	S	*	*			trans	-112	172.1	155.8	0	0	0	0	0	112.1
586	P	49.6	Very low	39.9	Very low	143 Å²	143	113.5 Å²	113.5	93%	0.929	78%	0.779	S	S	*	*				-144.5	173.1	122.9	37.2	-22.3	0	0	0	112.2
587	G	30.6	Very low	39.9	Very low	77 Å²	77	120.3 Å²	120.3	79%	0.794	78%	0.783	S	S	*	*			cis	-176.8	166.2	0.1	0	0	0	0	0	110.2
588	G	31.1	Very low	39.5	Very low	79 Å²	79	117.9 Å²	117.9	81%	0.814	77%	0.774	S	S	*	*			trans	-79.7	-161.6	-172.8	0	0	0	0	0	116.6
589	P	50.9	Low	40.5	Very low	139 Å²	139	120.4 Å²	120.4	90%	0.903	78%	0.779	S	S	*	*			cis	-137.5	-173.6	49.5	37.5	-17.7	0	0	0	116.5
590	G	32.4	Very low	40.6	Very low	73 Å²	73	122 Å²	122	75%	0.753	78%	0.778	S	S	*	*			trans	-126.3	-128.7	-168.1	0	0	0	0	0	118.7
591	P	66.4	Low	40.7	Very low	126 Å²	126	122.1 Å²	122.1	82%	0.818	78%	0.779	S	S	*	*				-121	-162	-119.6	46.6	-34.1	0	0	0	113.7
592	P	60.6	Low	40.3	Very low	131 Å²	131	122.4 Å²	122.4	85%	0.851	78%	0.781	S	S	*	*				-145.5	-179.4	62.2	35.8	-13	0	0	0	115.5
593	G	31.9	Very low	39.7	Very low	67 Å²	67	124.7 Å²	124.7	69%	0.691	78%	0.782	S	S	*	*			cis	168	167.6	-9.5	0	0	0	0	0	114
594	Q	37.6	Very low	39.5	Very low	177 Å²	177	122 Å²	122	83%	0.827	77%	0.772	S	S	*	*			trans	56.8	145.9	159.7	-57.8	-168.4	30.5	0	0	119.6
595	Q	34.8	Very low	38.9	Very low	155 Å²	155	123.6 Å²	123.6	72%	0.724	77%	0.769	S	S	*	*			cis	-158.5	168.9	-7.4	-108.7	-174.9	77.2	0	0	106.4
596	G	30.9	Very low	38.7	Very low	60 Å²	60	128.5 Å²	128.5	62%	0.619	78%	0.777	S	S	*	*			cis	172.5	172.7	-1.1	0	0	0	0	0	112.1
597	Y	31.6	Very low	37.8	Very low	220 Å²	220	126 Å²	126	86%	0.863	77%	0.768	S	S	*	*			trans	66.8	115.4	168	-69.9	-79.6	0	0	0	123.1
598	A	30.6	Very low	39.2	Very low	84 Å²	84	128 Å²	128	69%	0.694	77%	0.767	S	S	*	*			trans	-105.1	-173.9	154.1	0	0	0	0	0	109.3
599	P	50.3	Low	40.5	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	76%	0.763	S	S	*	*				-136.3	153.7	58.3	17	9.4	0	0	0	115.6
600	N	31.9	Very low	39.6	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	76%	0.764	S	S	*	*				46	130.3	93.5	-77.8	-7.5	0	0	0	116.1
601	M	35.2	Very low	39.4	Very low	181 Å²	181	131.8 Å²	131.8	89%	0.892	76%	0.764	S	S	*	*				-163	178.4	65.4	-104.7	-142.1	-177.9	0	0	115.8
602	P	47.4	Very low	38.7	Very low	103 Å²	103	132.2 Å²	132.2	67%	0.669	77%	0.766	S	S	*	*			trans	-126.1	-179.9	-161.9	45.4	-33	0	0	0	118.8
603	H	32.2	Very low	37.3	Very low	159 Å²	159	131.2 Å²	131.2	74%	0.736	77%	0.769	S	S	*	*			trans	66.4	119.4	143.2	-100.6	56.1	0	0	0	125.9
604	Q	33.8	Very low	37.1	Very low	139 Å²	139	131.3 Å²	131.3	65%	0.65	77%	0.771	S	S	*	*				49.9	127.4	129.4	-68.1	-166.5	10.4	0	0	127.1
605	Q	31.8	Very low	36.8	Very low	152 Å²	152	131.1 Å²	131.1	71%	0.71	77%	0.772	S	S	*	*				75.3	117	128.4	-68.3	-170.5	5.3	0	0	126.5
606	M	30.4	Very low	36.6	Very low	167 Å²	167	132 Å²	132	82%	0.823	78%	0.776	S	S	*	*				70	109.5	127.2	-65.7	-160.3	177.2	0	0	126.3
607	A	30.8	Very low	36.7	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	78%	0.782	S	S	*	*				70.5	173.2	124.2	0	0	0	0	0	121.5
608	P	60.9	Low	37.3	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	78%	0.777	S	S	*	*				-118.8	-139.8	-55.9	37.9	-21.5	0	0	0	109.7
609	P	57.4	Low	37.4	Very low	110 Å²	110	136.5 Å²	136.5	71%	0.714	78%	0.782	S	S	*	*			cis	-135.8	-159.3	-19.2	36.1	-12.6	0	0	0	115.1
610	M	32.4	Very low	36.4	Very low	187 Å²	187	140 Å²	140	92%	0.921	79%	0.791	S	S	*	*			trans	83.1	130.6	158.8	-67.3	-77.8	-84.9	0	0	122.3
611	G	27.8	Very low	36.6	Very low	73 Å²	73	141.6 Å²	141.6	75%	0.753	79%	0.793	S	S	*	*			trans	123.2	130	148.1	0	0	0	0	0	118.1
612	P	53.2	Low	37.1	Very low	135 Å²	135	138.5 Å²	138.5	88%	0.877	79%	0.787	S	S	*	*			trans	-118.7	145.9	-170.3	40.4	-30.1	0	0	0	117.4
613	A	29.8	Very low	36.2	Very low	110 Å²	110	137.4 Å²	137.4	91%	0.909	79%	0.794	S	S	*	*			trans	163.8	158.4	156	0	0	0	0	0	107.3
614	G	28.7	Very low	36.4	Very low	70 Å²	70	139 Å²	139	72%	0.722	80%	0.802	S	S	*	*			cis	150.8	128.4	-0.1	0	0	0	0	0	110.1
615	M	30.4	Very low	36.3	Very low	173 Å²	173	141.5 Å²	141.5	85%	0.852	82%	0.816	S	S	*	*			trans	85.1	129.5	166.5	-62.1	-153.5	178.9	0	0	122.8
616	Q	30.9	Very low	36.3	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.813	81%	0.814	S	S	*	*			trans	82.5	105.1	138.1	-71.7	173.6	38.1	0	0	122.7
617	Q	32.3	Very low	37.6	Very low	158 Å²	158	135.4 Å²	135.4	74%	0.738	81%	0.814	S	S	*	*			trans	-72.4	158.4	142.6	-86.4	-98.5	-8.7	0	0	110.4
618	P	45.6	Very low	38.3	Very low	117 Å²	117	137.3 Å²	137.3	76%	0.76	82%	0.819	S	S	*	*				-145.1	136.5	94.2	35.3	-18.5	0	0	0	117.1
619	F	31.3	Very low	37.2	Very low	183 Å²	183	137.4 Å²	137.4	80%	0.803	82%	0.822	S	S	*	*			trans	22.2	126.6	132.4	-87.8	-99.7	0	0	0	120.3
620	M	29.5	Very low	35.9	Very low	191 Å²	191	135.5 Å²	135.5	94%	0.941	82%	0.822	S	S	*	*				-166.7	147.4	112.5	-105.2	-178.2	-173.1	0	0	114.4
621	Q	35.9	Very low	37.1	Very low	181 Å²	181	132.5 Å²	132.5	85%	0.846	82%	0.817	S	S	*	*			trans	-151.9	174.1	168.2	-116.8	-163.6	61.8	0	0	105.2
622	P	45.4	Very low	38	Very low	117 Å²	117	135.2 Å²	135.2	76%	0.76	82%	0.821	S	S	*	*			cis	-132.4	-168.7	-7.6	38.2	-18.6	0	0	0	113.3
623	G	29.6	Very low	37.1	Very low	80 Å²	80	133.8 Å²	133.8	83%	0.825	81%	0.814	S	S	*	*			trans	-166.5	126.6	165.5	0	0	0	0	0	114.3
624	Q	36.5	Very low	37.3	Very low	191 Å²	191	135.8 Å²	135.8	89%	0.893	81%	0.805	S	S	*	*			trans	-105.1	151	174.9	-67.2	178.1	-8.6	0	0	111.3
625	M	32	Very low	37.4	Very low	192 Å²	192	140.8 Å²	140.8	95%	0.946	81%	0.809	S	S	*	*			trans	-176.9	147.7	133.5	-100.4	-165.5	-68.8	0	0	111.1
626	G	30.8	Very low	37.3	Very low	65 Å²	65	135.8 Å²	135.8	67%	0.67	80%	0.802	S	S	*	*			trans	-127.1	-153.9	163.9	0	0	0	0	0	109
627	P	58.5	Low	38.2	Very low	126 Å²	126	133.3 Å²	133.3	82%	0.818	80%	0.801	S	S	*	*			cis	-117.5	-157.5	-18.2	40.2	-23.8	0	0	0	110.8
628	P	45	Very low	38.5	Very low	132 Å²	132	132 Å²	132	86%	0.857	81%	0.806	S	S	*	*				-148.1	172.2	119	36.6	-19.8	0	0	0	116.5
629	S	37.4	Very low	38	Very low	120 Å²	120	135.8 Å²	135.8	84%	0.839	81%	0.813	S	S	*	*			trans	-114.1	156.7	-175.2	50.7	0	0	0	0	114.2
630	G	31.1	Very low	38	Very low	70 Å²	70	130.5 Å²	130.5	72%	0.722	81%	0.811	S	S	*	*			trans	-88.3	-152.9	168.8	0	0	0	0	0	113.3
631	P	56.3	Low	38.1	Very low	125 Å²	125	130.2 Å²	130.2	81%	0.812	81%	0.809	S	S	*	*			cis	-125.1	-162.3	-7.6	40.1	-21.7	0	0	0	112.7
632	P	47	Very low	38	Very low	129 Å²	129	127.7 Å²	127.7	84%	0.838	81%	0.806	S	S	*	*				-147.9	-166	104.9	39.8	-21.9	0	0	0	115.3
633	S	34.6	Very low	37	Very low	106 Å²	106	125.1 Å²	125.1	74%	0.741	80%	0.801	S	S	*	*			trans	-129.4	174.9	-158.6	50.5	0	0	0	0	116.2
634	H	33.3	Very low	37.9	Very low	152 Å²	152	127 Å²	127	70%	0.704	80%	0.799	S	S	*	*			trans	115.6	123.1	158.3	-87.3	-106.8	0	0	0	121.8
635	Q	31.3	Very low	37.6	Very low	175 Å²	175	123 Å²	123	82%	0.818	79%	0.791	S	S	*	*			trans	65.4	134.5	142.5	-72.1	168.8	2.6	0	0	123.5
636	G	28.3	Very low	37.4	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	78%	0.78	S	S	*	*			trans	-110.2	-150.1	152.2	0	0	0	0	0	109.6
637	P	49.7	Very low	37.5	Very low	121 Å²	121	124.2 Å²	124.2	79%	0.786	78%	0.784	S	S	*	*			cis	-113	-151.6	-12.1	41.8	-27.6	0	0	0	110.3
638	P	38.7	Very low	36.2	Very low	130 Å²	130	126.8 Å²	126.8	84%	0.844	79%	0.785	S	S	*	*			trans	-141.5	153.8	130.7	37.1	-24.7	0	0	0	115.5
639	Q	36.1	Very low	35.5	Very low	197 Å²	197	128.1 Å²	128.1	92%	0.921	78%	0.779	S	S	*	*			trans	-145.2	127.1	168.8	-149.8	-174.7	23	0	0	110.3
640	G	31.4	Very low	35.9	Very low	72 Å²	72	127.1 Å²	127.1	74%	0.742	77%	0.77	S	S	*	*			trans	88.6	165.2	152.4	0	0	0	0	0	120.7
641	M	31.2	Very low	35.9	Very low	185 Å²	185	133.3 Å²	133.3	91%	0.911	78%	0.78	S	S	*	*			trans	102.3	139.5	175.3	-55.5	-109	-178.9	0	0	115.4
642	V	32.7	Very low	34.6	Very low	128 Å²	128	138 Å²	138	78%	0.776	78%	0.782	S	S	*	*			cis	-160.1	161.5	-16.4	132	0	0	0	0	106.3
643	G	25	Very low	34	Very low	63 Å²	63	140.4 Å²	140.4	65%	0.649	78%	0.781	S	S	*	*			trans	-74.7	-159.9	173.6	0	0	0	0	0	114.2
644	P	48.8	Very low	34.1	Very low	121 Å²	121	141.4 Å²	141.4	79%	0.786	79%	0.785	S	S	*	*			cis	-136	-175.1	9.6	43	-24.9	0	0	0	115.6
645	S	29.9	Very low	34	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	79%	0.785	S	S	*	*			trans	39	145.2	151.7	-52	0	0	0	0	121.8
646	D	29.1	Very low	34.7	Very low	132 Å²	132	135.1 Å²	135.1	71%	0.706	79%	0.785	S	S	*	*			cis	-167.7	159.7	36	-136	-28.3	0	0	0	114
647	M	32.5	Very low	35.7	Very low	151 Å²	151	138.1 Å²	138.1	74%	0.744	79%	0.792	S	S	*	*			trans	59.3	148.1	168.1	-48.1	-167.6	-162.6	0	0	118.7
648	Q	31.3	Very low	35.1	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	80%	0.8	S	S	*	*			cis	-150.3	162.8	12.2	-149.8	150.2	26.5	0	0	113
649	E	30.7	Very low	35.1	Very low	159 Å²	159	147 Å²	147	74%	0.743	80%	0.801	S	S	*	*			trans	-66.8	-179.3	-178.4	-104.3	-170.2	145.3	0	0	116
650	P	44.5	Very low	35	Very low	99 Å²	99	147 Å²	147	64%	0.643	80%	0.804	S	S	*	*			cis	-140	151.4	-16.5	31.1	-11.1	0	0	0	116.4
651	Q	31.4	Very low	35	Very low	200 Å²	200	147 Å²	147	94%	0.935	80%	0.803	S	S	*	*				-164.6	146.3	128.3	-113.1	175.2	2.9	0	0	112.1
652	R	28.6	Very low	36.4	Very low	225 Å²	225	144.2 Å²	144.2	85%	0.849	80%	0.799	S	S	*	*			trans	-100.1	131.3	-161.2	-67.4	179.6	175.5	-175.2	-1.9	114.3
653	H	36	Very low	36.8	Very low	179 Å²	179	144.2 Å²	144.2	83%	0.829	80%	0.802	S	S	*	*			trans	-83.6	165.6	145.7	-69.3	-77.6	0	0	0	110.1
654	P	36.1	Very low	37.1	Very low	127 Å²	127	144.7 Å²	144.7	83%	0.825	81%	0.806	S	S	*	*				-143.5	174.1	102.5	36.3	-20.4	0	0	0	114.7
655	G	31.8	Very low	37.6	Very low	68 Å²	68	144.7 Å²	144.7	70%	0.701	81%	0.806	S	S	*	*			trans	-82.5	-152.8	-174.5	0	0	0	0	0	116.9
656	P	46.2	Very low	37.9	Very low	126 Å²	126	149.4 Å²	149.4	82%	0.818	82%	0.816	S	S	*	*			trans	-83.7	160.6	-153.3	34	-38.7	0	0	0	115.7
657	P	48.9	Very low	38	Very low	131 Å²	131	146.5 Å²	146.5	85%	0.851	82%	0.818	S	S	*	*			trans	-92.1	173.3	173.6	36.3	-33.2	0	0	0	114.5
658	R	36.9	Very low	38.1	Very low	248 Å²	248	148.9 Å²	148.9	94%	0.936	83%	0.829	S	S	*	*			trans	-106.4	174.6	-162.1	-61.9	170.2	170.4	172.8	-5.3	114.5
659	H	38.7	Very low	38	Very low	190 Å²	190	143.8 Å²	143.8	88%	0.88	83%	0.825	S	S	*	*			trans	-56.4	147	168.5	-77.7	-85.8	0	0	0	115.7
660	M	33.1	Very low	39.4	Very low	198 Å²	198	142.1 Å²	142.1	98%	0.975	83%	0.828	S	S	*	*			trans	-159.6	168.4	132.2	-107.3	-165.4	-174.9	0	0	111.4
661	G	31.9	Very low	38.9	Very low	71 Å²	71	149.3 Å²	149.3	73%	0.732	84%	0.842	S	S	*	*			trans	-92.4	-167.7	-166.7	0	0	0	0	0	117.8
662	P	60	Low	38.9	Very low	126 Å²	126	143.5 Å²	143.5	82%	0.818	84%	0.836	S	S	*	*			trans	-104.7	167.4	-159.8	40	-36.9	0	0	0	116
663	P	42.7	Very low	39.3	Very low	129 Å²	129	140.7 Å²	140.7	84%	0.838	84%	0.835	S	S	*	*			trans	-127.4	167.4	147.8	37.3	-24.8	0	0	0	113.5
664	G	29.2	Very low	39.3	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	84%	0.836	S	S	*	*			trans	-99.1	-139.1	-175.7	0	0	0	0	0	116.1
665	P	60.3	Low	39.1	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	83%	0.831	S	S	*	*				-125.5	167.4	-117.9	40.5	-28.1	0	0	0	116.5
666	H	37.1	Very low	40.2	Very low	206 Å²	206	140.9 Å²	140.9	95%	0.954	84%	0.836	S	S	*	*			trans	-138.8	153	160.1	-74.9	-61.8	0	0	0	110.7
667	G	31	Very low	40.7	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	84%	0.837	S	S	*	*			trans	-162.2	-178.1	179.3	0	0	0	0	0	113.9
668	M	33.3	Very low	39.8	Very low	200 Å²	200	138.5 Å²	138.5	99%	0.985	84%	0.836	S	S	*	*			trans	-149.5	141	164.9	-79.1	-160.2	174.4	0	0	110.1
669	G	30.3	Very low	39.6	Very low	73 Å²	73	130.1 Å²	130.1	75%	0.753	83%	0.826	S	S	*	*			trans	-104.2	-140.7	166.7	0	0	0	0	0	110.7
670	P	58.5	Low	39.5	Very low	125 Å²	125	129.3 Å²	129.3	81%	0.812	83%	0.825	S	S	*	*			cis	-143.4	171.7	-9.3	42.2	-25.1	0	0	0	116.2
671	R	34	Very low	39.5	Very low	249 Å²	249	128.2 Å²	128.2	94%	0.94	82%	0.82	S	S	*	*			trans	170.1	118.2	147.9	-97.2	169.2	-179.6	-162.4	-0.5	106.1
672	G	32.4	Very low	39.4	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	82%	0.819	S	S	*	*				102.1	129.6	60.2	0	0	0	0	0	107.9
673	M	37.3	Very low	38	Very low	166 Å²	166	131.3 Å²	131.3	82%	0.818	82%	0.823	S	S	*	*			cis	-159.9	161.4	18.4	-101.8	-164	176.6	0	0	112.4
674	Q	34.6	Very low	38.7	Very low	182 Å²	182	130.4 Å²	130.4	85%	0.85	82%	0.817	S	S	*	*			trans	51.8	136.7	151.8	-61.2	174.6	32.7	0	0	119.5
675	G	32	Very low	40.3	Very low	71 Å²	71	131.9 Å²	131.9	73%	0.732	81%	0.813	S	S	*	*			cis	149.9	159.5	25.3	0	0	0	0	0	108.5
676	P	56.6	Low	39	Very low	125 Å²	125	138 Å²	138	81%	0.812	82%	0.821	S	S	*	*			trans	-120.2	-152.6	-158.9	41.7	-24.2	0	0	0	111.9
677	P	55.4	Low	38.7	Very low	127 Å²	127	131.3 Å²	131.3	83%	0.825	81%	0.807	S	S	*	*			cis	-145.7	-179.8	-0.4	42.7	-22.7	0	0	0	119
678	G	31.2	Very low	38.8	Very low	81 Å²	81	136.7 Å²	136.7	84%	0.835	82%	0.817	S	S	*	*			trans	135.8	123.7	147.9	0	0	0	0	0	115
679	G	32	Very low	38.7	Very low	71 Å²	71	130.2 Å²	130.2	73%	0.732	80%	0.801	S	S	*	*			cis	166	142.2	-12.3	0	0	0	0	0	112.2
680	M	35.8	Very low	38.8	Very low	174 Å²	174	134.6 Å²	134.6	86%	0.857	81%	0.807	S	S	*	*			trans	53.2	146	153.9	-72.9	-177.8	173.3	0	0	120.6
681	M	34	Very low	37.6	Very low	174 Å²	174	139.9 Å²	139.9	86%	0.857	81%	0.811	S	S	*	*			cis	-141.4	175.7	-21.3	-57.6	-158.6	-166.1	0	0	105.1
682	G	29.7	Very low	37.6	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	81%	0.805	S	S	*	*			cis	169.3	174.4	26.5	0	0	0	0	0	109.9
683	H	30.4	Very low	38.4	Very low	192 Å²	192	136.8 Å²	136.8	89%	0.889	80%	0.8	S	S	*	*			trans	-140.2	-177.2	-161.9	-100.7	-50	0	0	0	109.2
684	P	56.9	Low	38.1	Very low	111 Å²	111	138.2 Å²	138.2	72%	0.721	81%	0.805	S	S	*	*				-121.5	-104.2	-72.9	26.3	-2.4	0	0	0	116.8
685	P	63.1	Low	37.9	Very low	102 Å²	102	133.1 Å²	133.1	66%	0.662	80%	0.801	S	S	*	*				-132	-163.9	-118.4	41.6	-21	0	0	0	117.6
686	R	33.8	Very low	38.4	Very low	250 Å²	250	136 Å²	136	94%	0.943	81%	0.807	S	S	*	*			trans	89.7	149.2	174.1	-55.5	172.8	170.3	179.3	-3.6	114.9
687	G	30.4	Very low	38	Very low	65 Å²	65	134.9 Å²	134.9	67%	0.67	80%	0.8	S	S	*	*			cis	161.9	170.4	-5.7	0	0	0	0	0	112.1
688	I	33.1	Very low	37.5	Very low	185 Å²	185	135 Å²	135	95%	0.949	80%	0.8	S	S	*	*			trans	76.3	138.5	171.8	-48	165.8	0	0	0	114.9
689	G	30.7	Very low	37.7	Very low	63 Å²	63	140 Å²	140	65%	0.649	80%	0.802	S	S	*	*			cis	172.7	-161.7	-3.9	0	0	0	0	0	113.2
690	L	33	Very low	37.6	Very low	166 Å²	166	139.5 Å²	139.5	87%	0.869	80%	0.797	S	S	*	*			trans	99.8	107.5	165.7	-60.6	169.1	0	0	0	122
691	R	33.7	Very low	37.5	Very low	235 Å²	235	138 Å²	138	89%	0.887	79%	0.793	S	S	*	*			trans	38.7	133.5	134.3	-69.2	-174.6	172.7	-175.5	-2.3	125.2
692	D	34.2	Very low	37.4	Very low	153 Å²	153	137.2 Å²	137.2	82%	0.818	79%	0.789	S	S	*	*			trans	-37.8	169.1	149.4	-71.6	-63.7	0	0	0	117.6
693	P	48	Very low	37.4	Very low	109 Å²	109	141.2 Å²	141.2	71%	0.708	79%	0.792	S	S	*	*			cis	-149.3	169.1	30	42.4	-21.4	0	0	0	121.5
694	Q	30.9	Very low	37.6	Very low	196 Å²	196	137.3 Å²	137.3	92%	0.916	79%	0.786	S	S	*	*			trans	43.9	131.1	143.7	-66.9	176.7	9.7	0	0	123.3
695	G	30.3	Very low	37.1	Very low	75 Å²	75	137 Å²	137	77%	0.773	78%	0.784	S	S	*	*			trans	146.5	124.2	149	0	0	0	0	0	116.7
696	P	42.9	Very low	35.6	Very low	131 Å²	131	141.4 Å²	141.4	85%	0.851	80%	0.796	S	S	*	*			trans	-121.5	-143.1	-172.3	42.9	-26.2	0	0	0	114.9
697	P	47.5	Very low	35.4	Very low	102 Å²	102	133.4 Å²	133.4	66%	0.662	79%	0.792	S	S	*	*			trans	-97.9	-177.1	-132.1	44.1	-30.2	0	0	0	115.1
698	P	45.7	Very low	35.3	Very low	129 Å²	129	139.6 Å²	139.6	84%	0.838	80%	0.803	S	S	*	*			trans	-87.1	124.7	164.7	30.5	-26.4	0	0	0	113.4
699	Q	36.5	Very low	35.2	Very low	186 Å²	186	139 Å²	139	87%	0.869	80%	0.798	S	S	*	*			trans	-84.2	175	163.3	-68.1	173.4	-39.7	0	0	110.3
700	G	29.8	Very low	35.1	Very low	61 Å²	61	144.5 Å²	144.5	63%	0.629	81%	0.807	S	S	*	*			cis	-163.9	166.2	5.9	0	0	0	0	0	111
701	N	33	Very low	35.1	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	80%	0.804	S	S	*	*				56.1	136.5	95.7	-78	-2.4	0	0	0	114.5
702	M	31.3	Very low	35	Very low	157 Å²	157	132.6 Å²	132.6	77%	0.773	80%	0.798	S	S	*	*			cis	-166.8	-179.5	27.6	-149.3	-176.6	-83.3	0	0	112.3
703	I	30.4	Very low	35	Very low	153 Å²	153	134.4 Å²	134.4	79%	0.785	80%	0.803	S	S	*	*			trans	92.5	123.8	157.6	-59.4	147.4	0	0	0	119.2
704	S	34.1	Very low	34.2	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	82%	0.816	S	S	*	*			trans	-113.9	149	149.8	53.7	0	0	0	0	107.8
705	P	47.6	Very low	34.3	Very low	105 Å²	105	132.9 Å²	132.9	68%	0.682	81%	0.809	S	S	*	*				-156.5	-179	92.6	40.8	-20.7	0	0	0	116.6
706	Q	30.4	Very low	35.1	Very low	195 Å²	195	135.3 Å²	135.3	91%	0.911	81%	0.811	S	S	*	*			trans	12.8	134.1	155.7	-74.6	169.7	-48.8	0	0	121.9
707	G	28.9	Very low	35.6	Very low	82 Å²	82	134.8 Å²	134.8	85%	0.845	81%	0.808	S	S	*	*			trans	-171.1	104.8	157.7	0	0	0	0	0	113.3
708	Q	29.3	Very low	35.5	Very low	195 Å²	195	135.5 Å²	135.5	91%	0.911	81%	0.813	S	S	*	*			trans	-80.1	147.7	163.9	-72.2	177.4	-30.6	0	0	110.1
709	M	30	Very low	34.8	Very low	173 Å²	173	141.1 Å²	141.1	85%	0.852	82%	0.817	S	S	*	*			trans	151.3	157.8	148.7	-87.3	-172	-168.6	0	0	109.2
710	Q	29.5	Very low	34.7	Very low	178 Å²	178	138.1 Å²	138.1	83%	0.832	81%	0.812	S	S	*	*			cis	-172.2	148.9	-27.3	-179.5	176.9	75.6	0	0	106.6
711	G	33.8	Very low	34.9	Very low	77 Å²	77	144.5 Å²	144.5	79%	0.794	83%	0.825	S	S	*	*			trans	90.9	149.2	172.2	0	0	0	0	0	115.1
712	G	31.2	Very low	34.7	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	82%	0.821	S	S	*	*			cis	174.4	129.1	-5.1	0	0	0	0	0	112.9
713	M	33.3	Very low	34.7	Very low	190 Å²	190	141 Å²	141	94%	0.936	83%	0.825	S	S	*	*			trans	51.4	120	154.5	-61.3	-171.7	173.1	0	0	121.7
714	M	31.1	Very low	34.9	Very low	199 Å²	199	142.4 Å²	142.4	98%	0.98	83%	0.83	S	S	*	*			trans	19.4	128.1	134.5	-56.4	-175.2	-174.6	0	0	120.4
715	G	32.8	Very low	35.9	Very low	75 Å²	75	142 Å²	142	77%	0.773	83%	0.825	S	S	*	*			trans	-161.4	144.4	161.1	0	0	0	0	0	112.5
716	P	47.3	Very low	35.2	Very low	125 Å²	125	143.7 Å²	143.7	81%	0.812	83%	0.828	S	S	*	*			trans	-101.1	175.2	-160.8	40.2	-37.4	0	0	0	115.7
717	P	53.7	Low	35.3	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	82%	0.817	S	S	*	*			trans	-98.3	158.3	-170.7	38	-35.7	0	0	0	115.6
718	P	45.6	Very low	35.6	Very low	116 Å²	116	147 Å²	147	75%	0.753	82%	0.818	S	S	*	*			trans	-116.9	126.5	154	33	-20.1	0	0	0	111
719	R	31.1	Very low	35.6	Very low	248 Å²	248	141.5 Å²	141.5	94%	0.936	81%	0.813	S	S	*	*				87.6	130.5	72.7	-89.7	-168.1	175.4	-176.1	0.3	115.6
720	T	34	Very low	36	Very low	123 Å²	123	143.1 Å²	143.1	76%	0.755	82%	0.821	S	S	*	*			trans	-82	156.3	177.8	48.7	0	0	0	0	114.5
721	H	35	Very low	36.1	Very low	195 Å²	195	138.5 Å²	138.5	90%	0.903	82%	0.822	S	S	*	*			trans	-171.1	150.2	145.6	-93	-72.5	0	0	0	107.5
722	G	28.9	Very low	36.4	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	83%	0.827	S	S	*	*			cis	-153.7	-172	-10.4	0	0	0	0	0	106.8
723	N	31.6	Very low	36.7	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	84%	0.836	S	S	*	*			cis	-153.4	161.2	10.9	-97.8	-11.6	0	0	0	110.1
724	M	33.8	Very low	36.9	Very low	182 Å²	182	148.7 Å²	148.7	90%	0.897	83%	0.834	S	S	*	*			trans	-95.4	-178.6	163.7	-105.3	-175.4	-175.9	0	0	109.7
725	P	54.5	Low	37.1	Very low	102 Å²	102	142.5 Å²	142.5	66%	0.662	82%	0.822	S	S	*	*			cis	-146.5	-178.6	23.7	43.7	-23.4	0	0	0	119.3
726	N	34.4	Very low	38.4	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	83%	0.826	S	S	*	*			trans	71.8	148.6	158	-67.4	-4.1	0	0	0	118.5
727	N	32.2	Very low	38.3	Very low	126 Å²	126	148.6 Å²	148.6	67%	0.674	83%	0.831	S	S	*	*			cis	-150.2	147.9	16.3	-142.3	39.7	0	0	0	113.8
728	Y	33.8	Very low	37.7	Very low	221 Å²	221	147.1 Å²	147.1	87%	0.867	84%	0.837	S	S	*	*			trans	3	145.6	161.5	-69.8	-101.4	0	0	0	123.9
729	G	30.8	Very low	37.6	Very low	78 Å²	78	149 Å²	149	80%	0.804	88%	0.877	S	S	*	*			trans	161.7	83.7	148.2	0	0	0	0	0	116.8
730	M	37.2	Very low	38	Very low	207 Å²	207	144 Å²	144	100%	1.02	87%	0.874	S	S	*	*			trans	-78.1	147.1	165.3	-88.5	-162.6	178.1	0	0	111.4
731	G	33.1	Very low	38.2	Very low	82 Å²	82	145.1 Å²	145.1	85%	0.845	88%	0.881	S	S	*	*			trans	-168.5	88.7	172.7	0	0	0	0	0	112.9
732	N	39.5	Very low	38.4	Very low	169 Å²	169	142.3 Å²	142.3	90%	0.904	88%	0.879	S	S	*	*			trans	-89.2	131.4	174.2	-146.8	17.1	0	0	0	108.6
733	M	36.9	Very low	38.9	Very low	192 Å²	192	146.8 Å²	146.8	95%	0.946	89%	0.891	S	S	*	*			trans	-153.9	151.9	164.5	-116.8	177.8	-162.5	0	0	114.4
734	Q	38	Very low	39.4	Very low	193 Å²	193	145.9 Å²	145.9	90%	0.902	89%	0.893	S	S	*	*			trans	-88.6	168.8	-169.7	-67.8	162.4	-19.7	0	0	112.4
735	G	36	Very low	39.7	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	89%	0.892	S	S	*	*			trans	-78.1	180	-177	0	0	0	0	0	115.4
736	P	59.9	Low	38.7	Very low	133 Å²	133	146.4 Å²	146.4	86%	0.864	91%	0.909	S	S	*	*			trans	-97.5	150.2	-173.4	36.4	-33	0	0	0	114.4
737	Q	43.8	Very low	39	Very low	195 Å²	195	146.9 Å²	146.9	91%	0.911	92%	0.921	S	S	*	*			trans	-124.1	148.5	155.8	-83.4	-169	-6.3	0	0	109.5
738	G	41.7	Very low	39.6	Very low	89 Å²	89	148.7 Å²	148.7	92%	0.918	94%	0.942	S	S	*	*			trans	81.2	105.3	148.2	0	0	0	0	0	117.4
739	G	44.3	Very low	40.1	Very low	155 Å²	155	142.1 Å²	142.1	100%	1.598	95%	0.948	S	S	*	*			trans	179.5	0	170.6	0	0	0	0	0	110.2

Retrieved 739 of 739 residues in 421.7 ms (Link to these results)

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