A0A3Q0KGB9_SCHMA Loading...

Subfamily S9B unassigned peptidase (S09 family)

AlphaFold DB , UniProt , Accession A0A3Q0KGB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 883 aa.

						>A0A3Q0KGB9_SCHMA|A0A3Q0KGB9
MSTESCHKYSTVSIQSSDISVDLPYSESYYDDTGYTTTNEKKKISYDKLALASIARRGAIIDVGAIMEIMTNTPQKRNWKGILLALLVIMFISSLILTASVLTTPKEKKIDYGLPFTFSDLMHVNKLLEPFNSQSVNDSFVYLTKEQDLLVMDTNTLKETLLLSHLVIQEKAAFMEKYFVAPDLSAVILAYDLKDPTRRCGKSKYDVVRLNAVTKRTGPERRIEIGVDDQTTEQPFLDLIKWSPKSNCIAFVAQKNIHLLFNPLDLNIRKIVNLTQSMPQSHMSYGVSTWLYEEEILHTNEALWWSDSGNYLAVAAFDETNVSTYEILKFDDVREFKNGKKKIKYSMAGETSLYNSPVVTLYLYDMKTMNFQVIPRPKQIPSDGLLTMALWMNDDIFVHAWTNRIQNRGWITVFSQSLNQSWVFFKIGYETGWVDLLKQTNVEPIINKENQEMLIILPRDYSEKGYRGIAKLKIPILPSETLQLPNWIITPNFDVKEILHYDGNDEVIFIGTGPDSKNSHVYWTSQSRGNMTCLTCENVNNTYNWAEVLANGKYLVQDVRGSGTPKTFLKRIIRNFTETNNFTVTTEIIKYFVTNSAFDSFVNSHALPRIEYTKLRLRNGTRNQIDVEAKLYLPPELDPAHITQYPLLLYAYGGPTFQVVTSAFTIDWLTYISATAKVIVAQVDGRGTGGRGRLYEQSIYKNLGVIEIEDQLDSVKALIRRYHYINESQVGAYGWSYGGFTVSHLLTRPENQWIRCGISVAPVSDFRYYTTAYSERYLGRFIDDPDAYSRTAIRNPKNMASKGFLLVHGTADDNVHLVNTAKLIKELVAAGVDLDLMIYPDDDHFLSKGRNLESLYRKMTIFLLDCYNKTSVKYSMDLSVKDL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	21.8	Very low	25.9	Very low	133 Å²	133	61.9 Å²	61.9	66%	0.655	32%	0.321	S	S	*	.				0	86.4	0	-79.6	170.1	165.8	0	0	108	T3 S16 L193 P196	M1-T3 PolarHBondContact O-N 3.28Å; M1-S16 PolarHBondContact N-O 3.21Å; M1-L193 HydrophobicContact CE-CD2 4.38Å; M1-L193 HydrophobicContact SD-CD2 3.75Å; M1-P196 HydrophobicContact CE-CB 3.89Å; M1-P196 HydrophobicContact CE-CG 3.7Å
2	S	21.8	Very low	25.7	Very low	72 Å²	72	59.9 Å²	59.9	50%	0.503	31%	0.314	S	S	.	.			trans	-89.4	92	157.2	68.4	0	0	0	0	105.9	E4 T11	S2-E4 PolarHBondContact O-N 3.24Å; S2-T11 VanDerWaalsContact OG-CG2 3.28Å; S2-T11 WeakPolarHBondContact OG-CG2 3.49Å
3	T	27.3	Very low	25.4	Very low	30 Å²	30	62.2 Å²	62.2	18%	0.184	34%	0.338	C	S	.	.			trans	-56.7	123.1	173.2	49.7	0	0	0	0	107.4	M1 S5 K177 L193	M1-T3 PolarHBondContact O-N 3.28Å; T3-S5 PolarHBondContact O-N 3.28Å; T3-K177 WeakPolarHBondContact OG1-CE 3.45Å; T3-K177 PolarHBondContact OG1-NZ 3.07Å; T3-L193 HydrophobicContact CG2-CD2 3.97Å
4	E	27.9	Very low	25.7	Very low	65 Å²	65	60.6 Å²	60.6	30%	0.304	33%	0.329	S	S	.	.			trans	-45.1	113.6	163.9	-69.4	-180	167.9	0	0	106.4	S2 C6 R199	S2-E4 PolarHBondContact O-N 3.24Å; E4-C6 PolarHBondContact O-N 3.49Å; E4-C6 VanDerWaalsContact O-N 3.1Å; E4-R199 IonicContact OE2-CZ 2.83Å; E4-R199 IonicContact OE2-NH1 3.5Å; E4-R199 PolarHBondContact OE2-NH1 3.28Å
5	S	26	Very low	25.8	Very low	23 Å²	23	60.7 Å²	60.7	16%	0.161	33%	0.326	C	S	.	.			trans	-44.2	119.7	179.6	51	0	0	0	0	110	T3 H7 K8 Y9 S10	T3-S5 PolarHBondContact O-N 3.28Å; S5-H7 WeakPolarHBondContact CB-O 3.34Å; S5-H7 PolarHBondContact O-N 3.4Å; S5-K8 WeakPolarHBondContact CB-O 3.42Å; S5-K8 PolarHBondContact OG-O 2.98Å; S5-Y9 VanDerWaalsContact OG-CA 3.25Å; S5-Y9 WeakPolarHBondContact OG-CA 3.3Å; S5-Y9 PolarHBondContact OG-N 3.41Å; S5-Y9 VanDerWaalsContact OG-N 3.12Å; S5-S10 PolarHBondContact OG-N 3.19Å
6	C	30.2	Very low	26	Very low	22 Å²	22	60 Å²	60	15%	0.149	33%	0.327	C	S	.	.	S	Bend	trans	-56.6	-12.6	175.2	-58.8	0	0	0	0	112.3	E4 R199 C200 T299	E4-C6 PolarHBondContact O-N 3.49Å; E4-C6 VanDerWaalsContact O-N 3.1Å; C6-R199 PolarHBondContact SG-O 2.96Å; C6-R199 VanDerWaalsContact SG-O 3.37Å; C6-C200 WeakPolarHBondContact CB-SG 3.27Å; C6-C200 VanDerWaalsContact SG-CA 3.53Å; C6-C200 WeakPolarHBondContact SG-CB 3.37Å; C6-C200 CovalentContact SG-SG 2.05Å; C6-C200 PolarHBondContact SG-SG 3.01Å; C6-T299 PolarHBondContact O-OG1 3.48Å
7	H	31	Very low	25.9	Very low	76 Å²	76	58.8 Å²	58.8	35%	0.352	32%	0.324	S	S	.	.	S	Bend	trans	-139.9	115.3	167.7	-57.6	-70.8	0	0	0	109.8	S5 T299 E301	S5-H7 WeakPolarHBondContact CB-O 3.34Å; S5-H7 PolarHBondContact O-N 3.4Å; H7-T299 PolarHBondContact CE1-OG1 3.23Å; H7-E301 VanDerWaalsContact CE1-CB 3.48Å; H7-E301 WeakPolarHBondContact CE1-CB 3.49Å; H7-E301 IonicContact CE1-OE2 2.9Å; H7-E301 PolarHBondContact CE1-OE2 3.02Å; H7-E301 IonicContact ND1-OE2 3.71Å; H7-E301 IonicContact NE2-OE2 3.74Å; H7-E301 PolarHBondContact NE2-OE2 3.38Å; H7-E301 VanDerWaalsContact NE2-OE2 3.16Å
8	K	25.5	Very low	25.7	Very low	126 Å²	126	63.4 Å²	63.4	55%	0.548	35%	0.348	S	S	.	.	S	Bend	trans	65.5	100.3	173.2	-69.6	-178.7	169.9	-179.7	0	118.4	S5 S10 E547	S5-K8 WeakPolarHBondContact CB-O 3.42Å; S5-K8 PolarHBondContact OG-O 2.98Å; K8-S10 PolarHBondContact O-N 3.07Å; K8-E547 IonicContact NZ-OE1 3.57Å; K8-E547 PolarHBondContact NZ-OE1 2.78Å
9	Y	25.8	Very low	25.5	Very low	72 Å²	72	66.2 Å²	66.2	28%	0.282	36%	0.361	S	S	.	.			trans	-39.8	98	-179.7	-69	-92	0	0	0	115.9	S5 N441	S5-Y9 VanDerWaalsContact OG-CA 3.25Å; S5-Y9 WeakPolarHBondContact OG-CA 3.3Å; S5-Y9 PolarHBondContact OG-N 3.41Å; S5-Y9 VanDerWaalsContact OG-N 3.12Å; Y9-N441 WeakPolarHBondContact CE2-OD1 3.49Å; Y9-N441 PolarHBondContact OH-OD1 2.88Å; Y9-N441 VanDerWaalsContact OH-OD1 3.13Å
10	S	23.3	Very low	25.2	Very low	19 Å²	19	69 Å²	69	13%	0.133	39%	0.386	C	S	.	.			trans	-100.1	104.8	143.1	55.2	0	0	0	0	109.1	S5 K8 F131	S5-S10 PolarHBondContact OG-N 3.19Å; K8-S10 PolarHBondContact O-N 3.07Å; S10-F131 WeakPolarHBondContact CB-O 3.46Å
11	T	24.4	Very low	25	Very low	43 Å²	43	70.5 Å²	70.5	26%	0.264	40%	0.397	S	S	.	.			trans	170.3	140.3	140.7	36.2	0	0	0	0	112.2	S2 S13	S2-T11 VanDerWaalsContact OG-CG2 3.28Å; S2-T11 WeakPolarHBondContact OG-CG2 3.49Å; T11-S13 PolarHBondContact O-N 3.35Å
12	V	23.6	Very low	24.9	Very low	38 Å²	38	71.8 Å²	71.8	23%	0.23	41%	0.406	C	S	.	.			trans	-61.7	118.6	160	173	0	0	0	0	106.7	I14 L128 P565	V12-I14 HydrophobicContact CG1-CD1 4.11Å; V12-I14 PolarHBondContact O-N 2.98Å; V12-L128 HydrophobicContact CB-CD1 4.2Å; V12-L128 HydrophobicContact CG1-CD1 3.98Å; V12-P565 HydrophobicContact CG2-CB 4.41Å; V12-P565 HydrophobicContact CG2-CG 4.28Å
13	S	21.4	Very low	24.8	Very low	90 Å²	90	75.7 Å²	75.7	63%	0.629	42%	0.421	S	S	*	.	S	Bend	trans	-57.7	104.4	167	53.8	0	0	0	0	108.1	T11	T11-S13 PolarHBondContact O-N 3.35Å
14	I	30	Very low	24.6	Very low	40 Å²	40	80.2 Å²	80.2	21%	0.205	45%	0.451	C	S	.	.			trans	-165.3	144.4	140.8	-63	111.8	0	0	0	107.5	V12 N125 I666 D667	V12-I14 HydrophobicContact CG1-CD1 4.11Å; V12-I14 PolarHBondContact O-N 2.98Å; I14-N125 WeakPolarHBondContact CB-ND2 3.35Å; I14-N125 WeakPolarHBondContact CG2-ND2 3.27Å; I14-N125 PolarHBondContact O-ND2 3.11Å; I14-I666 VanDerWaalsContact CD1-O 3.27Å; I14-I666 WeakPolarHBondContact CD1-O 3.48Å; I14-I666 VanDerWaalsContact CG1-O 3.24Å; I14-I666 WeakPolarHBondContact CG1-O 3.49Å; I14-D667 HydrophobicContact CG1-CB 4.4Å
15	Q	26.9	Very low	24.3	Very low	62 Å²	62	87.5 Å²	87.5	29%	0.29	48%	0.477	S	S	.	.			trans	-74.4	167.9	-158.6	-57.3	146.4	-33.7	0	0	118.2	N125 L852 Y856	Q15-N125 PolarHBondContact O-ND2 2.84Å; Q15-L852 HydrophobicContact CB-CD2 3.61Å; Q15-L852 HydrophobicContact CG-CD2 4.35Å; Q15-Y856 PolarHBondContact NE2-OH 3.43Å; Q15-Y856 PolarHBondContact OE1-OH 2.64Å
16	S	29.3	Very low	24	Very low	49 Å²	49	90.8 Å²	90.8	34%	0.343	50%	0.499	S	S	.	.			trans	103.7	169.2	151	83.5	0	0	0	0	119.5	M1	M1-S16 PolarHBondContact N-O 3.21Å
17	S	24.8	Very low	23.7	Very low	40 Å²	40	98.4 Å²	98.4	28%	0.28	53%	0.533	S	S	.	.			trans	-112.8	152.9	-142.2	50.2	0	0	0	0	115
18	D	21.1	Very low	23.4	Very low	142 Å²	142	99.4 Å²	99.4	76%	0.759	55%	0.548	S	S	*	.			trans	-73.2	127.9	167.8	-66.1	-51.3	0	0	0	111.7
19	I	23.3	Very low	23.2	Very low	116 Å²	116	103.5 Å²	103.5	60%	0.595	56%	0.562	S	S	*	*			trans	-146.1	114.3	148.8	-58	-175.8	0	0	0	107.4	V21	I19-V21 HydrophobicContact CG2-CG2 3.69Å
20	S	18.9	Very low	23.2	Very low	121 Å²	121	110.5 Å²	110.5	85%	0.846	59%	0.589	S	S	*	*			trans	-73.6	126.2	156.8	44.4	0	0	0	0	108.3
21	V	21.4	Very low	23.3	Very low	102 Å²	102	115.3 Å²	115.3	62%	0.618	61%	0.614	S	S	*	*			trans	-114.8	109.8	170.9	-179.7	0	0	0	0	107.1	I19 L23	I19-V21 HydrophobicContact CG2-CG2 3.69Å; V21-L23 PolarHBondContact O-N 2.99Å
22	D	19.4	Very low	23.5	Very low	159 Å²	159	120.3 Å²	120.3	85%	0.85	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-60.5	121.8	159.9	-80.6	-37.8	0	0	0	108.1	P24	D22-P24 VanDerWaalsContact O-CD 3.31Å; D22-P24 WeakPolarHBondContact O-CD 3.22Å
23	L	19	Very low	23.8	Very low	155 Å²	155	124.3 Å²	124.3	81%	0.812	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-83.3	116.1	175.7	-72.2	165.8	0	0	0	109.4	V21	V21-L23 PolarHBondContact O-N 2.99Å
24	P	22.5	Very low	23.9	Very low	125 Å²	125	123.4 Å²	123.4	81%	0.812	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-81.1	127.6	160.3	0.9	19.3	0	0	0	108.7	D22	D22-P24 VanDerWaalsContact O-CD 3.31Å; D22-P24 WeakPolarHBondContact O-CD 3.22Å
25	Y	21.8	Very low	23.8	Very low	218 Å²	218	132.1 Å²	132.1	86%	0.855	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-57.5	155.4	171.3	-96.1	-102.5	0	0	0	113.9
26	S	21.6	Very low	23.5	Very low	91 Å²	91	135.8 Å²	135.8	64%	0.636	73%	0.727	S	S	*	*			trans	57.7	120	145.3	64.5	0	0	0	0	117.6
27	E	23.7	Very low	23.3	Very low	182 Å²	182	139.6 Å²	139.6	85%	0.85	75%	0.748	S	S	*	*				153.5	153.8	82.8	-112	164.3	-159.8	0	0	102.9
28	S	23.8	Very low	23.2	Very low	97 Å²	97	143.9 Å²	143.9	68%	0.678	77%	0.773	S	S	*	*			cis	-168.6	145	14.3	45.4	0	0	0	0	106.4
29	Y	22.2	Very low	23.5	Very low	212 Å²	212	144.5 Å²	144.5	83%	0.831	78%	0.776	S	S	*	*			trans	-65.9	141.1	169.4	-98.6	-108.3	0	0	0	111.8
30	Y	25.5	Very low	23.7	Very low	219 Å²	219	147.4 Å²	147.4	86%	0.859	79%	0.787	S	S	*	*			trans	-130	117	145	-92.7	-85.9	0	0	0	107.9
31	D	25.5	Very low	24	Very low	120 Å²	120	151.8 Å²	151.8	64%	0.642	79%	0.791	S	S	*	*			trans	-110	116.5	172.3	-166.6	7.8	0	0	0	106.3
32	D	27.8	Very low	24.1	Very low	149 Å²	149	156.4 Å²	156.4	80%	0.797	80%	0.803	S	S	*	*			trans	-116.2	79	169.6	-92.8	-22.4	0	0	0	106.7
33	T	30.6	Very low	24.4	Very low	121 Å²	121	158.5 Å²	158.5	74%	0.742	80%	0.804	S	S	*	*			trans	-179.9	78.8	146.2	36.4	0	0	0	0	109.5	Y35	T33-Y35 PolarHBondContact O-N 3.04Å
34	G	23.8	Very low	24.7	Very low	71 Å²	71	157.8 Å²	157.8	73%	0.732	80%	0.8	S	S	*	*			trans	-59.2	101.3	176.9	0	0	0	0	0	113.6
35	Y	26.3	Very low	24.9	Very low	224 Å²	224	157.1 Å²	157.1	88%	0.878	80%	0.798	S	S	*	*			trans	-143.9	114.4	151.4	-84.5	-76.1	0	0	0	110.9	T33	T33-Y35 PolarHBondContact O-N 3.04Å
36	T	20.7	Very low	25.2	Very low	138 Å²	138	156.4 Å²	156.4	85%	0.847	80%	0.795	S	S	*	*			trans	-72.9	121.8	167.5	43.6	0	0	0	0	110.7
37	T	26.3	Very low	25.5	Very low	130 Å²	130	159.3 Å²	159.3	80%	0.798	80%	0.804	S	S	*	*			trans	-134.7	104	153.9	54.5	0	0	0	0	110	N39	T37-N39 PolarHBondContact O-N 3.28Å
38	T	22.3	Very low	25.7	Very low	130 Å²	130	160.4 Å²	160.4	80%	0.798	81%	0.806	S	S	*	*			trans	-61.5	119.2	157.7	45.6	0	0	0	0	108.4
39	N	27.1	Very low	25.9	Very low	154 Å²	154	164.6 Å²	164.6	82%	0.824	82%	0.82	S	S	*	*			trans	-154	113.4	152.5	-99.7	-29	0	0	0	112.3	T37	T37-N39 PolarHBondContact O-N 3.28Å
40	E	26.7	Very low	26.2	Very low	178 Å²	178	158.4 Å²	158.4	83%	0.832	81%	0.812	S	S	*	*			trans	-6.6	134.5	162.9	-65.1	-179	148.3	0	0	119.9	K42	E40-K42 PolarHBondContact O-N 3.49Å
41	K	25.3	Very low	26.2	Very low	212 Å²	212	156.4 Å²	156.4	92%	0.922	82%	0.815	S	S	*	*			trans	-37.3	97.9	161.6	-65.6	172.8	175.9	175.8	0	112.7	K43	K41-K43 PolarHBondContact O-N 2.9Å; K41-K43 VanDerWaalsContact O-N 3.12Å
42	K	25	Very low	26.2	Very low	200 Å²	200	155.1 Å²	155.1	87%	0.87	82%	0.822	S	S	*	*			trans	-76.6	95.1	162	-82.8	-174.7	175.2	175.8	0	110	E40 I44	E40-K42 PolarHBondContact O-N 3.49Å; K42-I44 PolarHBondContact O-N 3.48Å
43	K	25.9	Very low	26.2	Very low	202 Å²	202	152.9 Å²	152.9	88%	0.878	82%	0.818	S	S	*	*			trans	-62	115	155.8	-104	179	172.8	179.2	0	108.1	K41 S45	K41-K43 PolarHBondContact O-N 2.9Å; K41-K43 VanDerWaalsContact O-N 3.12Å; K43-S45 PolarHBondContact O-N 3.44Å
44	I	25	Very low	26.1	Very low	141 Å²	141	154.5 Å²	154.5	72%	0.723	82%	0.82	S	S	*	*			trans	-78.5	104.6	170.8	-62.6	171.7	0	0	0	106.8	K42 Y46	K42-I44 PolarHBondContact O-N 3.48Å; I44-Y46 HydrophobicContact CG2-CD2 4.08Å; I44-Y46 HydrophobicContact CG2-CE2 3.88Å
45	S	27	Very low	26.3	Very low	110 Å²	110	155.3 Å²	155.3	77%	0.769	82%	0.82	S	S	*	*			trans	-90.7	112.1	167.1	-172.6	0	0	0	0	107.8	K43 D47	K43-S45 PolarHBondContact O-N 3.44Å; S45-D47 PolarHBondContact O-N 2.9Å
46	Y	26.7	Very low	26.4	Very low	203 Å²	203	156.3 Å²	156.3	80%	0.796	82%	0.822	S	S	*	*			trans	-72	107.5	164.8	-77.7	-95.7	0	0	0	107.9	I44	I44-Y46 HydrophobicContact CG2-CD2 4.08Å; I44-Y46 HydrophobicContact CG2-CE2 3.88Å
47	D	27.8	Very low	26.9	Very low	153 Å²	153	161.7 Å²	161.7	82%	0.818	83%	0.827	S	S	*	*			trans	-170.1	141.1	150.1	-98.3	-28.2	0	0	0	110.5	S45	S45-D47 PolarHBondContact O-N 2.9Å
48	K	29.7	Very low	27.1	Very low	205 Å²	205	159.4 Å²	159.4	89%	0.891	83%	0.829	S	S	*	*			trans	89.8	63.8	176.4	-54	-176.4	179.4	-179.7	0	117.1
49	L	27.5	Very low	27.7	Very low	185 Å²	185	157.8 Å²	157.8	97%	0.969	83%	0.829	S	S	*	*			trans	-100	84	146.9	-92.1	161.1	0	0	0	108.8
50	A	28.1	Very low	28	Very low	82 Å²	82	158.4 Å²	158.4	68%	0.678	83%	0.831	S	S	*	*			trans	-171.1	131	156.2	0	0	0	0	0	110.1
51	L	26.3	Very low	28.6	Very low	176 Å²	176	157.2 Å²	157.2	92%	0.921	83%	0.829	S	S	*	*			trans	75.4	82.2	162.9	-57.7	161.4	0	0	0	116.6
52	A	25.4	Very low	29	Very low	94 Å²	94	153.9 Å²	153.9	78%	0.777	82%	0.821	S	S	*	*				-173.8	132.1	118	0	0	0	0	0	111.8
53	S	26.4	Very low	29.7	Very low	101 Å²	101	150.7 Å²	150.7	71%	0.706	82%	0.818	S	S	*	*			trans	117.6	106.1	136.4	83.9	0	0	0	0	118
54	I	28.6	Very low	30.3	Very low	155 Å²	155	144 Å²	144	80%	0.795	81%	0.807	S	S	*	*				87.9	94.4	124.9	-60.5	167.3	0	0	0	117.5
55	A	28.1	Very low	30.8	Very low	89 Å²	89	141.8 Å²	141.8	74%	0.736	81%	0.809	S	S	*	*				54.5	117.5	115.3	0	0	0	0	0	119.5
56	R	27.8	Very low	31.4	Very low	244 Å²	244	144.4 Å²	144.4	92%	0.921	81%	0.813	S	S	*	*			trans	-159.8	141.6	143.6	-104.6	172	-159.2	-160.9	5.3	110.2
57	R	32.3	Very low	31.9	Very low	251 Å²	251	142.9 Å²	142.9	95%	0.947	82%	0.815	S	S	*	*			trans	81.7	96.3	178.8	-51.9	-177.4	-176.9	-154	0	112.9
58	G	30.4	Very low	32.3	Very low	82 Å²	82	143.9 Å²	143.9	85%	0.845	82%	0.815	S	S	*	*			cis	85.9	67.6	35.7	0	0	0	0	0	109.5
59	A	35.3	Very low	32.9	Very low	97 Å²	97	141.3 Å²	141.3	80%	0.802	81%	0.809	S	S	*	*			trans	-115.9	106	164.5	0	0	0	0	0	106.9	I61	A59-I61 PolarHBondContact O-N 3.34Å
60	I	33.8	Very low	33.5	Very low	166 Å²	166	141 Å²	141	85%	0.851	81%	0.805	S	S	*	*			trans	-74	113.5	175.1	-64.4	164	0	0	0	106.2
61	I	38.2	Very low	34.4	Very low	153 Å²	153	143 Å²	143	79%	0.785	81%	0.809	S	S	*	*			trans	-124.9	110	156.3	-61.4	-178.3	0	0	0	106.5	A59	A59-I61 PolarHBondContact O-N 3.34Å
62	D	32.9	Very low	35.6	Very low	142 Å²	142	142 Å²	142	76%	0.759	80%	0.804	S	S	*	*			trans	-60.2	121.8	171.4	-173.5	11.6	0	0	0	110
63	V	40	Very low	36.7	Very low	133 Å²	133	143.4 Å²	143.4	81%	0.806	80%	0.804	S	S	*	*			trans	-129.3	109.2	161.2	-174.3	0	0	0	0	106.1
64	G	38.5	Very low	38.1	Very low	63 Å²	63	144.7 Å²	144.7	65%	0.649	81%	0.81	S	S	*	*			trans	-50.6	140.3	-172.1	0	0	0	0	0	114.4
65	A	36.5	Very low	39.5	Very low	94 Å²	94	146.3 Å²	146.3	78%	0.777	81%	0.814	S	S	*	*			trans	-57.9	144.1	165	0	0	0	0	0	112.5
66	I	38.2	Very low	41.2	Very low	164 Å²	164	152 Å²	152	84%	0.841	82%	0.822	S	S	*	*			trans	177.3	118	144.3	-83.4	146.1	0	0	0	102.1
67	M	38.7	Very low	43.3	Very low	171 Å²	171	149.4 Å²	149.4	84%	0.842	81%	0.812	S	S	*	*				-164.7	143.8	50.6	-152.4	161.2	76.4	0	0	110
68	E	35.1	Very low	45.6	Very low	175 Å²	175	142.8 Å²	142.8	82%	0.818	80%	0.796	S	S	*	*			trans	-63.1	150.4	170.8	-65	174.5	138.4	0	0	112.8
69	I	42.8	Very low	48.1	Very low	151 Å²	151	147.5 Å²	147.5	77%	0.774	79%	0.788	S	S	*	*				-179.5	99.6	120.6	-81	149.4	0	0	0	105.8
70	M	40.7	Very low	50.5	Low	179 Å²	179	151.4 Å²	151.4	88%	0.882	79%	0.787	S	S	*	*			trans	-94	110.5	170.5	-73.3	-164.9	176.8	0	0	109.2
71	T	47.1	Very low	53	Low	124 Å²	124	145.1 Å²	145.1	76%	0.761	76%	0.763	S	S	*	*			trans	-107.1	104.5	158.3	48.9	0	0	0	0	108.2	T73	T71-T73 PolarHBondContact O-N 2.98Å
72	N	50	Low	55.3	Low	153 Å²	153	141.6 Å²	141.6	82%	0.818	75%	0.745	S	S	*	*			trans	-71.3	110	175	-85.8	-29.1	0	0	0	109.6
73	T	48.7	Very low	57.9	Low	124 Å²	124	140.5 Å²	140.5	76%	0.761	74%	0.739	S	S	*	*			trans	-108	135.1	157.2	38.5	0	0	0	0	109.4	T71 Q75	T71-T73 PolarHBondContact O-N 2.98Å; T73-Q75 PolarHBondContact O-N 3.44Å
74	P	55.6	Low	60.3	Low	129 Å²	129	139.7 Å²	139.7	84%	0.838	73%	0.729	S	S	*	*			trans	-70.3	117.5	-173	27.3	-34	0	0	0	111.4	K76	P74-K76 PolarHBondContact O-N 2.91Å
75	Q	59.3	Low	62.7	Low	189 Å²	189	139 Å²	139	88%	0.883	72%	0.717	S	S	*	*			trans	-66.2	113.6	179.8	-118.4	177.1	-4.1	0	0	111.3	T73 R77	T73-Q75 PolarHBondContact O-N 3.44Å; Q75-R77 PolarHBondContact O-N 2.95Å; Q75-R77 VanDerWaalsContact O-N 3.07Å
76	K	62.7	Low	65.3	Low	209 Å²	209	139.2 Å²	139.2	91%	0.909	71%	0.705	S	S	*	*			trans	-64.7	105.1	164.8	-93	-177.5	174.5	177.3	0	109	P74 N78	P74-K76 PolarHBondContact O-N 2.91Å; K76-N78 PolarHBondContact O-N 3.41Å
77	R	72.6	Confident	67.9	Low	189 Å²	189	136.7 Å²	136.7	71%	0.713	69%	0.693	S	S	*	*			trans	-61.8	127.6	174.5	-73.7	-179.8	173.2	175.5	-1.7	110.6	Q75 W79	Q75-R77 PolarHBondContact O-N 2.95Å; Q75-R77 VanDerWaalsContact O-N 3.07Å; R77-W79 VanDerWaalsContact C-N 3.31Å; R77-W79 PolarHBondContact O-N 2.8Å
78	N	80.6	Confident	70.5	Confident	111 Å²	111	132 Å²	132	59%	0.594	67%	0.673	S	S	*	*			trans	-78.7	78	176.3	-173.6	0.1	0	0	0	110.7	K76 K80 G81 I82	K76-N78 PolarHBondContact O-N 3.41Å; N78-K80 PolarHBondContact O-N 3.32Å; N78-K80 PolarHBondContact OD1-N 2.9Å; N78-G81 PolarHBondContact O-N 2.94Å; N78-G81 PolarHBondContact OD1-N 3.29Å; N78-I82 PolarHBondContact O-N 2.92Å
79	W	83	Confident	73.3	Confident	182 Å²	182	128.4 Å²	128.4	69%	0.689	66%	0.658	S	S	*	*	H	α-helix	trans	-54.7	-33	179.2	-75.5	104.1	0	0	0	113.7	R77 I82 L83	R77-W79 VanDerWaalsContact C-N 3.31Å; R77-W79 PolarHBondContact O-N 2.8Å; W79-I82 PolarHBondContact O-N 3.37Å; W79-L83 WeakPolarHBondContact O-CB 3.48Å; W79-L83 PolarHBondContact O-N 3.32Å
80	K	85	Confident	75.7	Confident	178 Å²	178	127.6 Å²	127.6	77%	0.774	65%	0.653	S	S	*	*	H	α-helix	trans	-64.6	-41.7	176.4	-67.2	-175.8	177.6	-177.2	0	111.7	N78 L84	N78-K80 PolarHBondContact O-N 3.32Å; N78-K80 PolarHBondContact OD1-N 2.9Å; K80-L84 WeakPolarHBondContact O-CB 3.39Å; K80-L84 PolarHBondContact O-N 3.48Å; K80-L84 VanDerWaalsContact O-N 3.07Å
81	G	86.3	Confident	78.2	Confident	34 Å²	34	125.6 Å²	125.6	35%	0.351	64%	0.64	S	S	.	*	H	α-helix	trans	-65.1	-40.1	176.6	0	0	0	0	0	112.8	N78 A85	N78-G81 PolarHBondContact O-N 2.94Å; N78-G81 PolarHBondContact OD1-N 3.29Å; G81-A85 WeakPolarHBondContact O-CB 3.33Å; G81-A85 PolarHBondContact O-N 3.03Å
82	I	86.2	Confident	80.5	Confident	79 Å²	79	123.7 Å²	123.7	41%	0.405	62%	0.624	S	S	.	*	H	α-helix	trans	-66.4	-45.1	177.9	-62.8	169.8	0	0	0	110.9	N78 W79 A85 L86	N78-I82 PolarHBondContact O-N 2.92Å; W79-I82 PolarHBondContact O-N 3.37Å; I82-A85 PolarHBondContact O-N 3.45Å; I82-L86 HydrophobicContact CG2-CD1 4.11Å; I82-L86 WeakPolarHBondContact O-CG 3.34Å; I82-L86 PolarHBondContact O-N 3.46Å
83	L	88.5	Confident	82.5	Confident	120 Å²	120	119.3 Å²	119.3	63%	0.628	61%	0.605	S	S	*	*	H	α-helix	trans	-63.4	-43.3	179.5	-163.4	87.5	0	0	0	111.5	W79 L86 L87	W79-L83 WeakPolarHBondContact O-CB 3.48Å; W79-L83 PolarHBondContact O-N 3.32Å; L83-L86 PolarHBondContact O-N 2.89Å; L83-L87 PolarHBondContact O-N 3.2Å
84	L	89.9	Confident	84.7	Confident	116 Å²	116	116.7 Å²	116.7	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-63.5	-43.6	177	-172.7	69.9	0	0	0	111.3	K80 L86 L87 V88	K80-L84 WeakPolarHBondContact O-CB 3.39Å; K80-L84 PolarHBondContact O-N 3.48Å; K80-L84 VanDerWaalsContact O-N 3.07Å; L84-L86 PolarHBondContact O-N 2.88Å; L84-L87 PolarHBondContact O-N 2.7Å; L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.82Å
85	A	88.4	Confident	86.5	Confident	48 Å²	48	115 Å²	115	40%	0.397	58%	0.576	S	S	.	*	H	α-helix	trans	-60.9	-43.5	176.7	0	0	0	0	0	112	G81 I82 L87 V88 I89	G81-A85 WeakPolarHBondContact O-CB 3.33Å; G81-A85 PolarHBondContact O-N 3.03Å; I82-A85 PolarHBondContact O-N 3.45Å; A85-L87 PolarHBondContact O-N 3.24Å; A85-V88 PolarHBondContact O-N 2.81Å; A85-I89 WeakPolarHBondContact O-CB 3.45Å; A85-I89 WeakPolarHBondContact O-CD1 3.41Å; A85-I89 VanDerWaalsContact O-CG1 3.22Å; A85-I89 WeakPolarHBondContact O-CG1 3.29Å; A85-I89 PolarHBondContact O-N 2.67Å
86	L	92.4	Very high	88.1	Confident	98 Å²	98	111.3 Å²	111.3	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-63.8	-39.5	176.5	-75.4	169.7	0	0	0	112.4	I82 L83 L84 I89 M90	I82-L86 HydrophobicContact CG2-CD1 4.11Å; I82-L86 WeakPolarHBondContact O-CG 3.34Å; I82-L86 PolarHBondContact O-N 3.46Å; L83-L86 PolarHBondContact O-N 2.89Å; L84-L86 PolarHBondContact O-N 2.88Å; L86-I89 PolarHBondContact O-N 3.49Å; L86-M90 WeakPolarHBondContact O-CB 3.32Å; L86-M90 VanDerWaalsContact O-CG 3.3Å; L86-M90 WeakPolarHBondContact O-CG 3.24Å; L86-M90 PolarHBondContact O-N 3.36Å
87	L	92.3	Very high	89.6	Confident	112 Å²	112	107.2 Å²	107.2	59%	0.586	55%	0.548	S	S	*	.	H	α-helix	trans	-63.4	-43.3	175.6	-110.1	162.6	0	0	0	112	L83 L84 A85 M90 F91	L83-L87 PolarHBondContact O-N 3.2Å; L84-L87 PolarHBondContact O-N 2.7Å; A85-L87 PolarHBondContact O-N 3.24Å; L87-M90 PolarHBondContact O-N 2.9Å; L87-F91 WeakPolarHBondContact O-CB 3.44Å; L87-F91 PolarHBondContact O-N 3.3Å
88	V	93.9	Very high	90.5	Very high	73 Å²	73	101.6 Å²	101.6	44%	0.442	54%	0.535	S	S	.	.	H	α-helix	trans	-66	-43.3	177	173.2	0	0	0	0	111	L84 A85 F91 I92	L84-V88 WeakPolarHBondContact O-CG2 3.3Å; L84-V88 PolarHBondContact O-N 2.82Å; A85-V88 PolarHBondContact O-N 2.81Å; V88-F91 PolarHBondContact O-N 3.25Å; V88-I92 HydrophobicContact CG1-CD1 3.66Å; V88-I92 HydrophobicContact CG1-CG1 4.32Å; V88-I92 WeakPolarHBondContact O-CB 3.29Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 3.42Å
89	I	92.5	Very high	91	Very high	98 Å²	98	98.7 Å²	98.7	50%	0.503	53%	0.526	S	S	.	.	H	α-helix	trans	-60	-48.9	175.4	-69.3	164.5	0	0	0	110.1	A85 L86 F91 I92 S93	A85-I89 WeakPolarHBondContact O-CB 3.45Å; A85-I89 WeakPolarHBondContact O-CD1 3.41Å; A85-I89 VanDerWaalsContact O-CG1 3.22Å; A85-I89 WeakPolarHBondContact O-CG1 3.29Å; A85-I89 PolarHBondContact O-N 2.67Å; L86-I89 PolarHBondContact O-N 3.49Å; I89-F91 VanDerWaalsContact C-N 3.32Å; I89-F91 PolarHBondContact O-N 2.91Å; I89-I92 PolarHBondContact O-N 3.35Å; I89-S93 VanDerWaalsContact O-CB 3.3Å; I89-S93 WeakPolarHBondContact O-CB 3.3Å; I89-S93 PolarHBondContact O-N 3.41Å; I89-S93 PolarHBondContact O-OG 2.89Å
90	M	93.8	Very high	91.2	Very high	134 Å²	134	92.4 Å²	92.4	66%	0.66	51%	0.51	S	S	*	.	H	α-helix	trans	-58.5	-42.5	177.7	-79.3	-68.5	-64.1	0	0	112.3	L86 L87 S94	L86-M90 WeakPolarHBondContact O-CB 3.32Å; L86-M90 VanDerWaalsContact O-CG 3.3Å; L86-M90 WeakPolarHBondContact O-CG 3.24Å; L86-M90 PolarHBondContact O-N 3.36Å; L87-M90 PolarHBondContact O-N 2.9Å; M90-S94 WeakPolarHBondContact O-CB 3.41Å; M90-S94 PolarHBondContact O-N 3.41Å
91	F	94.2	Very high	91.2	Very high	138 Å²	138	88.8 Å²	88.8	61%	0.605	50%	0.503	S	S	*	.	H	α-helix	trans	-66.2	-46.1	178.4	-177.7	-106	0	0	0	112.2	L87 V88 I89 S94 L95	L87-F91 WeakPolarHBondContact O-CB 3.44Å; L87-F91 PolarHBondContact O-N 3.3Å; V88-F91 PolarHBondContact O-N 3.25Å; I89-F91 VanDerWaalsContact C-N 3.32Å; I89-F91 PolarHBondContact O-N 2.91Å; F91-S94 PolarHBondContact O-N 3.01Å; F91-L95 HydrophobicContact CD1-CD1 3.84Å; F91-L95 HydrophobicContact CE1-CD1 3.31Å; F91-L95 HydrophobicContact CE1-CG 4.47Å; F91-L95 HydrophobicContact CE2-CD1 4.37Å; F91-L95 HydrophobicContact CZ-CD1 3.62Å; F91-L95 HydrophobicContact CZ-CG 4.44Å; F91-L95 PolarHBondContact O-N 3.12Å
92	I	94.5	Very high	91.2	Very high	84 Å²	84	93.9 Å²	93.9	43%	0.431	52%	0.521	S	S	.	.	H	α-helix	trans	-63.8	-44.8	176.8	-68.2	171.8	0	0	0	110.4	V88 I89 S94 L95 I96	V88-I92 HydrophobicContact CG1-CD1 3.66Å; V88-I92 HydrophobicContact CG1-CG1 4.32Å; V88-I92 WeakPolarHBondContact O-CB 3.29Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 3.42Å; I89-I92 PolarHBondContact O-N 3.35Å; I92-S94 VanDerWaalsContact C-N 3.31Å; I92-S94 PolarHBondContact O-N 3.46Å; I92-L95 PolarHBondContact O-N 2.59Å; I92-I96 HydrophobicContact CG2-CD1 3.72Å; I92-I96 HydrophobicContact CG2-CG1 4.33Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.3Å; I92-I96 PolarHBondContact O-N 2.9Å
93	S	92.4	Very high	91.1	Very high	60 Å²	60	95.3 Å²	95.3	42%	0.42	53%	0.533	S	S	.	.	H	α-helix	trans	-60.1	-40.9	175.8	-66.9	0	0	0	0	111.6	I89 I96 L97	I89-S93 VanDerWaalsContact O-CB 3.3Å; I89-S93 WeakPolarHBondContact O-CB 3.3Å; I89-S93 PolarHBondContact O-N 3.41Å; I89-S93 PolarHBondContact O-OG 2.89Å; S93-I96 PolarHBondContact O-N 2.85Å; S93-L97 WeakPolarHBondContact O-CB 3.32Å; S93-L97 PolarHBondContact O-N 3.4Å
94	S	93.8	Very high	90.7	Very high	69 Å²	69	93.9 Å²	93.9	48%	0.483	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-41.7	175.1	-172.8	0	0	0	0	112.2	M90 F91 I92 L97 T98	M90-S94 WeakPolarHBondContact O-CB 3.41Å; M90-S94 PolarHBondContact O-N 3.41Å; F91-S94 PolarHBondContact O-N 3.01Å; I92-S94 VanDerWaalsContact C-N 3.31Å; I92-S94 PolarHBondContact O-N 3.46Å; S94-L97 PolarHBondContact O-N 2.95Å; S94-T98 VanDerWaalsContact O-CB 3.32Å; S94-T98 WeakPolarHBondContact O-CB 3.12Å; S94-T98 PolarHBondContact O-N 3.34Å; S94-T98 PolarHBondContact O-OG1 2.82Å
95	L	94.2	Very high	89.9	Confident	95 Å²	95	93 Å²	93	50%	0.497	53%	0.532	S	S	.	.	H	α-helix	trans	-64.6	-44.1	176.4	-93.3	162	0	0	0	112	F91 I92 T98 A99	F91-L95 HydrophobicContact CD1-CD1 3.84Å; F91-L95 HydrophobicContact CE1-CD1 3.31Å; F91-L95 HydrophobicContact CE1-CG 4.47Å; F91-L95 HydrophobicContact CE2-CD1 4.37Å; F91-L95 HydrophobicContact CZ-CD1 3.62Å; F91-L95 HydrophobicContact CZ-CG 4.44Å; F91-L95 PolarHBondContact O-N 3.12Å; I92-L95 PolarHBondContact O-N 2.59Å; L95-T98 PolarHBondContact O-N 2.98Å; L95-A99 VanDerWaalsContact O-CB 3.24Å; L95-A99 WeakPolarHBondContact O-CB 3.31Å; L95-A99 PolarHBondContact O-N 2.95Å
96	I	93.2	Very high	88.7	Confident	111 Å²	111	100.5 Å²	100.5	57%	0.569	56%	0.555	S	S	*	*	H	α-helix	trans	-62.1	-45.4	176.1	-67	168	0	0	0	110.1	I92 S93 T98 A99 S100	I92-I96 HydrophobicContact CG2-CD1 3.72Å; I92-I96 HydrophobicContact CG2-CG1 4.33Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.3Å; I92-I96 PolarHBondContact O-N 2.9Å; S93-I96 PolarHBondContact O-N 2.85Å; I96-T98 PolarHBondContact O-N 2.96Å; I96-A99 PolarHBondContact O-N 3.2Å; I96-S100 VanDerWaalsContact O-CB 3.3Å; I96-S100 WeakPolarHBondContact O-CB 3.41Å; I96-S100 PolarHBondContact O-N 2.82Å; I96-S100 PolarHBondContact O-OG 3.1Å
97	L	93	Very high	87.3	Confident	122 Å²	122	103.7 Å²	103.7	64%	0.639	57%	0.567	S	S	*	*	H	α-helix	trans	-62	-45.8	177.8	-140.4	95.8	0	0	0	110.9	S93 S94 S100 V101	S93-L97 WeakPolarHBondContact O-CB 3.32Å; S93-L97 PolarHBondContact O-N 3.4Å; S94-L97 PolarHBondContact O-N 2.95Å; L97-S100 WeakPolarHBondContact CA-OG 3.35Å; L97-S100 PolarHBondContact O-N 3.34Å; L97-S100 PolarHBondContact O-OG 3.1Å; L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 2.98Å; L97-V101 PolarHBondContact O-N 3.3Å
98	T	91.9	Very high	85.9	Confident	71 Å²	71	107.4 Å²	107.4	44%	0.436	58%	0.579	S	S	.	*	H	α-helix	trans	-65.1	-45.1	-179.6	-52.9	0	0	0	0	111.4	S94 L95 I96 V101 L102	S94-T98 VanDerWaalsContact O-CB 3.32Å; S94-T98 WeakPolarHBondContact O-CB 3.12Å; S94-T98 PolarHBondContact O-N 3.34Å; S94-T98 PolarHBondContact O-OG1 2.82Å; L95-T98 PolarHBondContact O-N 2.98Å; I96-T98 PolarHBondContact O-N 2.96Å; T98-V101 PolarHBondContact O-N 2.86Å; T98-L102 HydrophobicContact CG2-CD1 3.83Å; T98-L102 HydrophobicContact CG2-CG 4.47Å; T98-L102 WeakPolarHBondContact O-CB 3.32Å; T98-L102 VanDerWaalsContact O-CG 3.32Å; T98-L102 WeakPolarHBondContact O-CG 3.49Å; T98-L102 PolarHBondContact O-N 3.41Å
99	A	90.9	Very high	84.6	Confident	50 Å²	50	113.7 Å²	113.7	41%	0.413	60%	0.6	S	S	.	*	H	α-helix	trans	-60.4	-46.2	174.6	0	0	0	0	0	110.7	L95 I96 V101 L102 T103	L95-A99 VanDerWaalsContact O-CB 3.24Å; L95-A99 WeakPolarHBondContact O-CB 3.31Å; L95-A99 PolarHBondContact O-N 2.95Å; I96-A99 PolarHBondContact O-N 3.2Å; A99-V101 PolarHBondContact O-N 3.35Å; A99-L102 PolarHBondContact O-N 3.17Å; A99-T103 WeakPolarHBondContact O-CB 2.91Å; A99-T103 VanDerWaalsContact O-CG2 3.31Å; A99-T103 WeakPolarHBondContact O-CG2 3.5Å; A99-T103 PolarHBondContact O-N 2.66Å; A99-T103 PolarHBondContact O-OG1 3.31Å
100	S	87.3	Confident	83.9	Confident	50 Å²	50	114.1 Å²	114.1	35%	0.35	60%	0.602	S	S	.	*	H	α-helix	trans	-60.9	-41.5	177.6	71.2	0	0	0	0	112.4	I96 L97 T103 T104	I96-S100 VanDerWaalsContact O-CB 3.3Å; I96-S100 WeakPolarHBondContact O-CB 3.41Å; I96-S100 PolarHBondContact O-N 2.82Å; I96-S100 PolarHBondContact O-OG 3.1Å; L97-S100 WeakPolarHBondContact CA-OG 3.35Å; L97-S100 PolarHBondContact O-N 3.34Å; L97-S100 PolarHBondContact O-OG 3.1Å; S100-T103 PolarHBondContact O-OG1 2.61Å; S100-T104 VanDerWaalsContact O-CB 3.3Å; S100-T104 WeakPolarHBondContact O-CB 3.45Å; S100-T104 PolarHBondContact O-N 2.78Å; S100-T104 PolarHBondContact O-OG1 3.36Å
101	V	85.7	Confident	83.5	Confident	102 Å²	102	114.7 Å²	114.7	62%	0.618	61%	0.608	S	S	*	*	H	α-helix	trans	-69.6	-36.7	177.9	172.1	0	0	0	0	111.5	L97 T98 A99	L97-V101 VanDerWaalsContact O-CG2 3.29Å; L97-V101 WeakPolarHBondContact O-CG2 2.98Å; L97-V101 PolarHBondContact O-N 3.3Å; T98-V101 PolarHBondContact O-N 2.86Å; A99-V101 PolarHBondContact O-N 3.35Å
102	L	86	Confident	83.1	Confident	142 Å²	142	112.6 Å²	112.6	74%	0.743	60%	0.597	S	S	*	*	H	α-helix	trans	-73.7	-33.2	177.5	-76.3	166.8	0	0	0	113	T98 A99	T98-L102 HydrophobicContact CG2-CD1 3.83Å; T98-L102 HydrophobicContact CG2-CG 4.47Å; T98-L102 WeakPolarHBondContact O-CB 3.32Å; T98-L102 VanDerWaalsContact O-CG 3.32Å; T98-L102 WeakPolarHBondContact O-CG 3.49Å; T98-L102 PolarHBondContact O-N 3.41Å; A99-L102 PolarHBondContact O-N 3.17Å
103	T	85.1	Confident	83	Confident	108 Å²	108	110.1 Å²	110.1	66%	0.663	59%	0.592	S	S	*	*	H	α-helix	trans	-88.7	-18.5	179.3	59.6	0	0	0	0	113.3	A99 S100 P105	A99-T103 WeakPolarHBondContact O-CB 2.91Å; A99-T103 VanDerWaalsContact O-CG2 3.31Å; A99-T103 WeakPolarHBondContact O-CG2 3.5Å; A99-T103 PolarHBondContact O-N 2.66Å; A99-T103 PolarHBondContact O-OG1 3.31Å; S100-T103 PolarHBondContact O-OG1 2.61Å; T103-P105 WeakPolarHBondContact O-CD 3.35Å
104	T	79.7	Confident	83.1	Confident	91 Å²	91	112.2 Å²	112.2	56%	0.558	60%	0.598	S	S	*	*	S	Bend	trans	-69.5	109.8	172	-57.5	0	0	0	0	107.7	S100 K106	S100-T104 VanDerWaalsContact O-CB 3.3Å; S100-T104 WeakPolarHBondContact O-CB 3.45Å; S100-T104 PolarHBondContact O-N 2.78Å; S100-T104 PolarHBondContact O-OG1 3.36Å; T104-K106 PolarHBondContact O-N 2.77Å
105	P	73.1	Confident	83.1	Confident	98 Å²	98	113.3 Å²	113.3	64%	0.636	60%	0.604	S	S	*	*			trans	-58.3	140.5	174.4	25.4	-32	0	0	0	108.5	T103 E107	T103-P105 WeakPolarHBondContact O-CD 3.35Å; P105-E107 VanDerWaalsContact C-N 3.28Å; P105-E107 PolarHBondContact O-N 3.31Å
106	K	63.6	Low	83.2	Confident	204 Å²	204	109 Å²	109	89%	0.887	58%	0.581	S	S	*	*			trans	-62	98.7	165.2	-72.2	-176	-179.8	-179.6	0	106.4	T104 K108	T104-K106 PolarHBondContact O-N 2.77Å; K106-K108 PolarHBondContact O-N 2.81Å
107	E	62.1	Low	83.3	Confident	166 Å²	166	106.2 Å²	106.2	78%	0.776	57%	0.569	S	S	*	*			trans	-53.3	113.9	167.9	-76.5	-178.2	176.5	0	0	106.5	P105 K109	P105-E107 VanDerWaalsContact C-N 3.28Å; P105-E107 PolarHBondContact O-N 3.31Å; E107-K109 PolarHBondContact O-N 3.28Å
108	K	62.5	Low	83.4	Confident	190 Å²	190	102.4 Å²	102.4	83%	0.826	55%	0.548	S	S	*	.			trans	-60	112.3	165.8	-79	-177.6	177.2	179.6	0	104.3	K106 I110	K106-K108 PolarHBondContact O-N 2.81Å; K108-I110 VanDerWaalsContact C-N 3.27Å; K108-I110 PolarHBondContact O-N 2.81Å
109	K	67.1	Low	83.5	Confident	205 Å²	205	102.1 Å²	102.1	89%	0.891	55%	0.549	S	S	*	.			trans	-56.2	103.9	162.7	-82.1	-173.2	174.8	-176.5	0	105.8	E107 D111	E107-K109 PolarHBondContact O-N 3.28Å; K109-D111 PolarHBondContact O-N 2.71Å
110	I	79	Confident	83.7	Confident	107 Å²	107	101.3 Å²	101.3	55%	0.549	54%	0.537	S	S	.	.			trans	-67.2	117	173.1	-60.9	173.5	0	0	0	104.4	K108 Y112	K108-I110 VanDerWaalsContact C-N 3.27Å; K108-I110 PolarHBondContact O-N 2.81Å; I110-Y112 HydrophobicContact CB-CE1 4.1Å; I110-Y112 HydrophobicContact CB-CE2 3.95Å; I110-Y112 HydrophobicContact CG2-CD1 3.87Å; I110-Y112 HydrophobicContact CG2-CD2 4.47Å; I110-Y112 HydrophobicContact CG2-CE1 3.47Å; I110-Y112 VanDerWaalsContact CG2-CE1 3.47Å; I110-Y112 HydrophobicContact CG2-CE2 4.13Å; I110-Y112 HydrophobicContact CG2-CG 4.36Å; I110-Y112 VanDerWaalsContact O-CD2 3.32Å; I110-Y112 WeakPolarHBondContact O-CD2 3.33Å; I110-Y112 WeakPolarHBondContact O-CE2 3.32Å; I110-Y112 PolarHBondContact O-N 3.01Å
111	D	83.8	Confident	84	Confident	145 Å²	145	99.3 Å²	99.3	78%	0.775	52%	0.523	S	S	*	.			trans	-78.2	108	171.9	-172.9	4.4	0	0	0	107.3	K109 G113	K109-D111 PolarHBondContact O-N 2.71Å; D111-G113 VanDerWaalsContact C-N 3.28Å; D111-G113 PolarHBondContact OD1-N 2.78Å
112	Y	86.7	Confident	84.3	Confident	94 Å²	94	95.9 Å²	95.9	37%	0.369	50%	0.5	S	S	.	.			trans	-85	-5.9	176.6	-60.7	-75	0	0	0	111.9	I110 A606 P635 E636	I110-Y112 HydrophobicContact CB-CE1 4.1Å; I110-Y112 HydrophobicContact CB-CE2 3.95Å; I110-Y112 HydrophobicContact CG2-CD1 3.87Å; I110-Y112 HydrophobicContact CG2-CD2 4.47Å; I110-Y112 HydrophobicContact CG2-CE1 3.47Å; I110-Y112 VanDerWaalsContact CG2-CE1 3.47Å; I110-Y112 HydrophobicContact CG2-CE2 4.13Å; I110-Y112 HydrophobicContact CG2-CG 4.36Å; I110-Y112 VanDerWaalsContact O-CD2 3.32Å; I110-Y112 WeakPolarHBondContact O-CD2 3.33Å; I110-Y112 WeakPolarHBondContact O-CE2 3.32Å; I110-Y112 PolarHBondContact O-N 3.01Å; Y112-A606 WeakPolarHBondContact O-CA 3.41Å; Y112-A606 VanDerWaalsContact O-CB 3.27Å; Y112-A606 WeakPolarHBondContact O-CB 3.28Å; Y112-A606 PolarHBondContact O-N 3.37Å; Y112-P635 HydrophobicContact CD1-CB 4.01Å; Y112-P635 WeakPolarHBondContact CD1-O 3.47Å; Y112-P635 WeakPolarHBondContact CE1-O 3.46Å; Y112-P635 HydrophobicContact CG-CB 4.28Å; Y112-E636 HydrophobicContact CE2-CB 4.13Å
113	G	92.2	Very high	84.5	Confident	33 Å²	33	93.6 Å²	93.6	34%	0.34	49%	0.485	S	S	.	.			trans	92.4	-173.5	-171.8	0	0	0	0	0	113.5	D111 S604	D111-G113 VanDerWaalsContact C-N 3.28Å; D111-G113 PolarHBondContact OD1-N 2.78Å; G113-S604 CarbonylContact C-O 3.57Å; G113-S604 WeakPolarHBondContact CA-O 3.23Å
114	L	94.6	Very high	84.8	Confident	103 Å²	103	88.5 Å²	88.5	54%	0.539	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143.2	178.4	-64.8	173.4	0	0	0	111	F116 S604 H605 A606	L114-F116 PolarHBondContact O-N 3.3Å; L114-S604 WeakPolarHBondContact CB-O 3.24Å; L114-S604 PolarHBondContact N-O 3.33Å; L114-H605 CarbonylContact O-C 3.6Å; L114-H605 VanDerWaalsContact O-CA 3.29Å; L114-H605 WeakPolarHBondContact O-CA 3.25Å; L114-A606 PolarHBondContact O-N 2.05Å
115	P	94.3	Very high	84.9	Confident	93 Å²	93	85.8 Å²	85.8	60%	0.604	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	128.9	176.3	26.8	-33.6	0	0	0	110	T117	P115-T117 WeakPolarHBondContact O-CG2 3.15Å; P115-T117 PolarHBondContact O-N 3.2Å
116	F	95.8	Very high	85.6	Confident	4 Å²	4	87.5 Å²	87.5	2%	0.018	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-69.4	118.5	171.5	-175.3	-119.9	0	0	0	109.1	L114 D120 L121 F601 L607 I666 T670 Y671 A674 T675	L114-F116 PolarHBondContact O-N 3.3Å; F116-D120 HydrophobicContact CD2-CB 3.68Å; F116-D120 HydrophobicContact CE2-CB 3.53Å; F116-D120 HydrophobicContact CZ-CB 4.4Å; F116-L121 HydrophobicContact CE1-CB 4.33Å; F116-L121 HydrophobicContact CZ-CB 4.12Å; F116-F601 HydrophobicContact CD2-CE1 4.18Å; F116-F601 AromaticContact CD2-CZ 3.77Å; F116-F601 HydrophobicContact CD2-CZ 3.77Å; F116-F601 AromaticContact CE2-CE1 3.94Å; F116-F601 HydrophobicContact CE2-CE1 3.94Å; F116-F601 AromaticContact CE2-CZ 3.69Å; F116-F601 HydrophobicContact CE2-CZ 3.69Å; F116-L607 HydrophobicContact CB-CD2 4.25Å; F116-L607 HydrophobicContact CD1-CD2 4.38Å; F116-L607 HydrophobicContact CD2-CD2 3.91Å; F116-L607 HydrophobicContact CE2-CD2 4.34Å; F116-L607 HydrophobicContact CG-CD2 3.94Å; F116-I666 HydrophobicContact CE1-CG2 4.39Å; F116-I666 HydrophobicContact CE2-CG2 4.19Å; F116-I666 HydrophobicContact CZ-CG2 3.63Å; F116-T670 HydrophobicContact CE1-CG2 4.33Å; F116-Y671 HydrophobicContact CD1-CD2 4.31Å; F116-Y671 HydrophobicContact CE1-CD2 4.44Å; F116-A674 HydrophobicContact CB-CB 4.19Å; F116-A674 HydrophobicContact CD1-CB 4.42Å; F116-T675 PolarHBondContact O-OG1 3.36Å
117	T	95.2	Very high	86.8	Confident	53 Å²	53	80.8 Å²	80.8	33%	0.325	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-100.9	168	-174.3	72.3	0	0	0	0	112.3	P115 S119 D120 L121	P115-T117 WeakPolarHBondContact O-CG2 3.15Å; P115-T117 PolarHBondContact O-N 3.2Å; T117-S119 VanDerWaalsContact C-N 3.25Å; T117-S119 PolarHBondContact O-N 3.44Å; T117-S119 PolarHBondContact OG1-N 2.99Å; T117-D120 WeakPolarHBondContact CA-OD2 3.07Å; T117-D120 VanDerWaalsContact CB-OD2 3.32Å; T117-D120 WeakPolarHBondContact CB-OD2 3.26Å; T117-D120 PolarHBondContact N-OD2 3.15Å; T117-D120 WeakPolarHBondContact O-CB 3.27Å; T117-D120 PolarHBondContact O-N 2.94Å; T117-D120 PolarHBondContact OG1-N 3.37Å; T117-D120 VanDerWaalsContact OG1-N 3.17Å; T117-D120 PolarHBondContact OG1-OD2 2.86Å; T117-L121 PolarHBondContact O-N 3.14Å; T117-L121 VanDerWaalsContact O-N 3.11Å
118	F	94.2	Very high	88.1	Confident	42 Å²	42	74.4 Å²	74.4	18%	0.184	38%	0.378	C	S	.	.	H	α-helix	trans	-64.8	-32.4	172.9	-171.7	-94.7	0	0	0	112.2	D120 L121 M122 Y671 E853 R857	F118-D120 VanDerWaalsContact C-N 3.3Å; F118-L121 HydrophobicContact CD2-CD2 4.25Å; F118-L121 HydrophobicContact CE2-CD2 4.2Å; F118-L121 WeakPolarHBondContact O-CB 3.37Å; F118-L121 PolarHBondContact O-N 3.18Å; F118-M122 HydrophobicContact CD1-CG 4.31Å; F118-M122 HydrophobicContact CE1-CG 3.97Å; F118-M122 HydrophobicContact CE1-SD 4.41Å; F118-M122 HydrophobicContact CZ-CG 4.42Å; F118-M122 HydrophobicContact CZ-SD 4.32Å; F118-M122 WeakPolarHBondContact O-CG 3.49Å; F118-M122 PolarHBondContact O-N 3.24Å; F118-Y671 HydrophobicContact CB-CE2 3.82Å; F118-Y671 HydrophobicContact CD2-CD1 4.36Å; F118-Y671 AromaticContact CD2-CE1 3.84Å; F118-Y671 HydrophobicContact CD2-CE1 3.84Å; F118-Y671 HydrophobicContact CD2-CE2 4.25Å; F118-Y671 AromaticContact CD2-CZ 3.79Å; F118-E853 HydrophobicContact CE1-CG 3.47Å; F118-E853 VanDerWaalsContact CE1-CG 3.47Å; F118-E853 HydrophobicContact CZ-CG 3.86Å; F118-E853 WeakPolarHBondContact CZ-O 3.34Å; F118-R857 HydrophobicContact CZ-CB 4.35Å
119	S	94	Very high	89.3	Confident	65 Å²	65	66.7 Å²	66.7	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-40.5	173	-175.3	0	0	0	0	110.9	T117 M122 H123	T117-S119 VanDerWaalsContact C-N 3.25Å; T117-S119 PolarHBondContact O-N 3.44Å; T117-S119 PolarHBondContact OG1-N 2.99Å; S119-M122 PolarHBondContact O-N 3.13Å; S119-H123 PolarHBondContact O-CD2 3.1Å; S119-H123 PolarHBondContact O-N 3.33Å; S119-H123 PolarHBondContact OG-CD2 2.7Å
120	D	95.4	Very high	90.1	Very high	33 Å²	33	60 Å²	60	18%	0.176	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-44.7	177.5	-58.6	-42.1	0	0	0	111.3	F116 T117 F118 M122 H123 V124 F601	F116-D120 HydrophobicContact CD2-CB 3.68Å; F116-D120 HydrophobicContact CE2-CB 3.53Å; F116-D120 HydrophobicContact CZ-CB 4.4Å; T117-D120 WeakPolarHBondContact CA-OD2 3.07Å; T117-D120 VanDerWaalsContact CB-OD2 3.32Å; T117-D120 WeakPolarHBondContact CB-OD2 3.26Å; T117-D120 PolarHBondContact N-OD2 3.15Å; T117-D120 WeakPolarHBondContact O-CB 3.27Å; T117-D120 PolarHBondContact O-N 2.94Å; T117-D120 PolarHBondContact OG1-N 3.37Å; T117-D120 VanDerWaalsContact OG1-N 3.17Å; T117-D120 PolarHBondContact OG1-OD2 2.86Å; F118-D120 VanDerWaalsContact C-N 3.3Å; D120-M122 PolarHBondContact O-N 2.78Å; D120-H123 PolarHBondContact O-N 2.94Å; D120-V124 VanDerWaalsContact O-CB 3.23Å; D120-V124 WeakPolarHBondContact O-CB 3.37Å; D120-V124 PolarHBondContact O-N 2.96Å; D120-F601 HydrophobicContact CB-CE2 4.02Å; D120-F601 HydrophobicContact CB-CZ 3.74Å
121	L	93.9	Very high	90.6	Very high	8 Å²	8	56 Å²	56	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-50.9	-42.6	173.2	171.4	65.1	0	0	0	112.3	F116 T117 F118 H123 D667 W668 Y671 Y856	F116-L121 HydrophobicContact CE1-CB 4.33Å; F116-L121 HydrophobicContact CZ-CB 4.12Å; T117-L121 PolarHBondContact O-N 3.14Å; T117-L121 VanDerWaalsContact O-N 3.11Å; F118-L121 HydrophobicContact CD2-CD2 4.25Å; F118-L121 HydrophobicContact CE2-CD2 4.2Å; F118-L121 WeakPolarHBondContact O-CB 3.37Å; F118-L121 PolarHBondContact O-N 3.18Å; L121-H123 VanDerWaalsContact C-N 3.32Å; L121-H123 PolarHBondContact O-N 2.92Å; L121-D667 WeakPolarHBondContact CD1-O 3.46Å; L121-W668 HydrophobicContact CD2-CB 4.34Å; L121-Y671 HydrophobicContact CD2-CD1 4.27Å; L121-Y671 HydrophobicContact CD2-CG 4.05Å; L121-Y856 HydrophobicContact CD2-CD2 4.01Å; L121-Y856 HydrophobicContact CD2-CG 4.47Å
122	M	91.4	Very high	90.9	Very high	30 Å²	30	50.6 Å²	50.6	15%	0.148	27%	0.273	C	S	.	.	H	α-helix	trans	-79.2	-12.7	-176.9	-62.4	-56.2	-57.3	0	0	113.9	F118 S119 D120 E853 Y856	F118-M122 HydrophobicContact CD1-CG 4.31Å; F118-M122 HydrophobicContact CE1-CG 3.97Å; F118-M122 HydrophobicContact CE1-SD 4.41Å; F118-M122 HydrophobicContact CZ-CG 4.42Å; F118-M122 HydrophobicContact CZ-SD 4.32Å; F118-M122 WeakPolarHBondContact O-CG 3.49Å; F118-M122 PolarHBondContact O-N 3.24Å; S119-M122 PolarHBondContact O-N 3.13Å; D120-M122 PolarHBondContact O-N 2.78Å; M122-E853 HydrophobicContact CE-CB 3.72Å; M122-E853 HydrophobicContact CE-CG 4.11Å; M122-E853 HydrophobicContact CG-CG 4.26Å; M122-E853 HydrophobicContact SD-CB 4.22Å; M122-E853 HydrophobicContact SD-CG 4.17Å; M122-Y856 HydrophobicContact SD-CD2 4.23Å
123	H	91.3	Very high	91.1	Very high	93 Å²	93	47.2 Å²	47.2	43%	0.431	26%	0.263	S	S	.	.	H	α-helix	trans	-124.3	-17.2	-172	-64.3	-35.2	0	0	0	114.6	S119 D120 L121 N125 K126	S119-H123 PolarHBondContact O-CD2 3.1Å; S119-H123 PolarHBondContact O-N 3.33Å; S119-H123 PolarHBondContact OG-CD2 2.7Å; D120-H123 PolarHBondContact O-N 2.94Å; L121-H123 VanDerWaalsContact C-N 3.32Å; L121-H123 PolarHBondContact O-N 2.92Å; H123-N125 PolarHBondContact O-N 3.09Å; H123-N125 VanDerWaalsContact O-N 3.14Å; H123-K126 WeakPolarHBondContact O-CB 3.24Å; H123-K126 PolarHBondContact O-N 3.37Å
124	V	90.4	Very high	91.2	Very high	2 Å²	2	48 Å²	48	1%	0.012	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.4	-175.2	68	0	0	0	0	113.1	D120 K126 L127 F598 F601 I666	D120-V124 VanDerWaalsContact O-CB 3.23Å; D120-V124 WeakPolarHBondContact O-CB 3.37Å; D120-V124 PolarHBondContact O-N 2.96Å; V124-K126 PolarHBondContact O-N 2.64Å; V124-L127 VanDerWaalsContact O-CB 3.28Å; V124-L127 WeakPolarHBondContact O-CB 3.31Å; V124-L127 PolarHBondContact O-N 3.36Å; V124-F598 HydrophobicContact CG2-CD2 4.1Å; V124-F598 HydrophobicContact CG2-CE2 3.72Å; V124-F601 HydrophobicContact CB-CE1 4.33Å; V124-F601 HydrophobicContact CG2-CD1 3.65Å; V124-F601 HydrophobicContact CG2-CE1 3.48Å; V124-F601 VanDerWaalsContact CG2-CE1 3.48Å; V124-F601 HydrophobicContact CG2-CG 4.41Å; V124-F601 HydrophobicContact CG2-CZ 4.1Å; V124-I666 HydrophobicContact CG1-CB 4.48Å; V124-I666 HydrophobicContact CG1-CG2 3.88Å; V124-I666 HydrophobicContact CG2-CD1 4.06Å; V124-I666 HydrophobicContact CG2-CG2 4.46Å
125	N	83.3	Confident	91	Very high	33 Å²	33	45 Å²	45	18%	0.176	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-66.6	-24.9	179	-65.3	-22.4	0	0	0	113.4	I14 Q15 H123 L127 L128	I14-N125 WeakPolarHBondContact CB-ND2 3.35Å; I14-N125 WeakPolarHBondContact CG2-ND2 3.27Å; I14-N125 PolarHBondContact O-ND2 3.11Å; Q15-N125 PolarHBondContact O-ND2 2.84Å; H123-N125 PolarHBondContact O-N 3.09Å; H123-N125 VanDerWaalsContact O-N 3.14Å; N125-L127 PolarHBondContact O-N 2.74Å; N125-L128 WeakPolarHBondContact O-CB 3.29Å; N125-L128 PolarHBondContact O-N 3.09Å; N125-L128 VanDerWaalsContact O-N 3.14Å
126	K	86.7	Confident	90.8	Very high	134 Å²	134	41.1 Å²	41.1	58%	0.583	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-69	-12.5	175.5	-59.7	-175.8	176.7	-175.1	0	112.5	H123 V124	H123-K126 WeakPolarHBondContact O-CB 3.24Å; H123-K126 PolarHBondContact O-N 3.37Å; V124-K126 PolarHBondContact O-N 2.64Å
127	L	89.3	Confident	90.3	Very high	63 Å²	63	46.4 Å²	46.4	33%	0.33	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-86.2	-14.1	175.6	-53.7	177.7	0	0	0	112.6	V124 N125 F598 F601	V124-L127 VanDerWaalsContact O-CB 3.28Å; V124-L127 WeakPolarHBondContact O-CB 3.31Å; V124-L127 PolarHBondContact O-N 3.36Å; N125-L127 PolarHBondContact O-N 2.74Å; L127-F598 HydrophobicContact CB-CB 4.06Å; L127-F598 HydrophobicContact CB-CD2 4.14Å; L127-F601 HydrophobicContact CD1-CB 3.69Å; L127-F601 HydrophobicContact CD1-CD2 3.87Å; L127-F601 HydrophobicContact CD1-CG 3.75Å
128	L	88.7	Confident	90	Very high	32 Å²	32	47.9 Å²	47.9	17%	0.168	25%	0.254	C	S	.	.	S	Bend	trans	-77.6	130.7	176.1	-69.6	169.8	0	0	0	109.9	V12 N125 F598	V12-L128 HydrophobicContact CB-CD1 4.2Å; V12-L128 HydrophobicContact CG1-CD1 3.98Å; N125-L128 WeakPolarHBondContact O-CB 3.29Å; N125-L128 PolarHBondContact O-N 3.09Å; N125-L128 VanDerWaalsContact O-N 3.14Å; L128-F598 HydrophobicContact CD1-CE2 4.24Å; L128-F598 HydrophobicContact CD2-CB 4.29Å; L128-F598 HydrophobicContact CD2-CD1 3.9Å; L128-F598 HydrophobicContact CD2-CD2 3.62Å; L128-F598 HydrophobicContact CD2-CE1 4.03Å; L128-F598 HydrophobicContact CD2-CE2 3.73Å; L128-F598 HydrophobicContact CD2-CG 3.69Å; L128-F598 HydrophobicContact CD2-CZ 3.92Å; L128-F598 HydrophobicContact CG-CD2 3.77Å; L128-F598 HydrophobicContact CG-CE2 3.82Å; L128-F598 HydrophobicContact CG-CG 4.3Å; L128-F598 HydrophobicContact CG-CZ 4.42Å
129	E	89.3	Confident	89.9	Confident	29 Å²	29	46.8 Å²	46.8	14%	0.136	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-77.9	124.4	173.7	-62	172.3	167.7	0	0	108.4	K145 V593 T594 N595	E129-K145 HydrophobicContact CG-CD 4.44Å; E129-K145 WeakPolarHBondContact OE1-CE 3.47Å; E129-K145 IonicContact OE1-NZ 3.54Å; E129-K145 PolarHBondContact OE1-NZ 2.79Å; E129-V593 HydrophobicContact CB-CG1 3.84Å; E129-V593 HydrophobicContact CB-CG2 4.14Å; E129-T594 PolarHBondContact OE2-N 3.48Å; E129-T594 VanDerWaalsContact OE2-N 3.08Å; E129-N595 PolarHBondContact N-OD1 2.92Å; E129-N595 PolarHBondContact OE2-N 3.4Å
130	P	82.9	Confident	89.9	Confident	65 Å²	65	43.7 Å²	43.7	42%	0.422	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-68	147.8	174	29.3	-33.4	0	0	0	109.9	E176	P130-E176 VanDerWaalsContact CB-OE2 3.31Å; P130-E176 WeakPolarHBondContact CB-OE2 3.34Å
131	F	88.9	Confident	89.9	Confident	22 Å²	22	42.1 Å²	42.1	10%	0.096	22%	0.221	C	C	.	.			trans	-131.2	115	172.9	178.3	-107.2	0	0	0	108.6	S10 F140 V556 T567 F592 V593	S10-F131 WeakPolarHBondContact CB-O 3.46Å; F131-F140 HydrophobicContact CZ-CE1 4.38Å; F131-F140 HydrophobicContact CZ-CZ 4.01Å; F131-V556 HydrophobicContact CE1-CG1 4.02Å; F131-V556 HydrophobicContact CZ-CG1 3.95Å; F131-T567 HydrophobicContact CD1-CG2 3.76Å; F131-T567 HydrophobicContact CD2-CG2 4.24Å; F131-T567 HydrophobicContact CE1-CG2 3.68Å; F131-T567 HydrophobicContact CE2-CG2 4.18Å; F131-T567 HydrophobicContact CG-CG2 4.03Å; F131-T567 HydrophobicContact CZ-CG2 3.89Å; F131-F592 HydrophobicContact CD2-CB 3.84Å; F131-F592 HydrophobicContact CD2-CG 4.46Å; F131-F592 HydrophobicContact CE2-CB 3.49Å; F131-F592 VanDerWaalsContact CE2-CB 3.49Å; F131-F592 HydrophobicContact CE2-CD1 4.25Å; F131-F592 AromaticContact CE2-CD2 3.84Å; F131-F592 HydrophobicContact CE2-CD2 3.84Å; F131-F592 AromaticContact CE2-CG 3.62Å; F131-F592 HydrophobicContact CE2-CG 3.62Å; F131-F592 HydrophobicContact CZ-CB 4.38Å; F131-F592 AromaticContact CZ-CD2 3.97Å; F131-F592 HydrophobicContact CZ-CD2 3.97Å; F131-F592 HydrophobicContact CZ-CE2 4.49Å; F131-F592 HydrophobicContact CZ-CG 4.23Å; F131-V593 HydrophobicContact CB-CG2 3.84Å; F131-V593 HydrophobicContact CD2-CG2 4.2Å; F131-V593 HydrophobicContact CG-CG2 4.4Å
132	N	89.8	Confident	90	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.171	22%	0.221	C	C	.	.			trans	-130.6	131.2	175.8	-160.6	-0.4	0	0	0	110.2	Y142 L143 E176 Y178	N132-Y142 WeakPolarHBondContact O-CA 3.26Å; N132-L143 PolarHBondContact O-N 2.91Å; N132-L143 VanDerWaalsContact O-N 3.11Å; N132-E176 PolarHBondContact ND2-O 3.12Å; N132-Y178 HydrophobicContact CB-CE1 4.28Å; N132-Y178 PolarHBondContact O-OH 3.42Å
133	S	92.7	Very high	90.1	Very high	23 Å²	23	41.5 Å²	41.5	16%	0.161	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.8	-171.9	60.2	0	0	0	0	113.2	V141 Y178	S133-V141 CarbonylContact C-O 3.56Å; S133-V141 VanDerWaalsContact CA-O 3.22Å; S133-V141 WeakPolarHBondContact CA-O 3.23Å; S133-V141 WeakPolarHBondContact CB-O 3.48Å; S133-Y178 WeakPolarHBondContact CA-OH 3.36Å; S133-Y178 PolarHBondContact N-OH 3.44Å
134	Q	92.7	Very high	90.1	Very high	50 Å²	50	38.2 Å²	38.2	23%	0.234	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	121	174.1	-173.7	-170.6	-1.8	0	0	110	V136 V141 Y178 V180	Q134-V136 HydrophobicContact CG-CG2 3.89Å; Q134-V141 PolarHBondContact N-O 3.32Å; Q134-V141 PolarHBondContact O-N 3.28Å; Q134-Y178 HydrophobicContact CB-CE2 4.03Å; Q134-V180 PolarHBondContact NE2-O 2.99Å
135	S	91	Very high	89.9	Confident	40 Å²	40	44.1 Å²	44.1	28%	0.28	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126	167.2	-62	0	0	0	0	110	E547	S135-E547 PolarHBondContact OG-OE1 3.43Å
136	V	89.5	Confident	90.2	Very high	10 Å²	10	48 Å²	48	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	102.5	178.8	-175.5	0	0	0	0	108.9	Q134 D138 S139 V141 V180 P182 L184	Q134-V136 HydrophobicContact CG-CG2 3.89Å; V136-D138 PolarHBondContact O-N 2.78Å; V136-S139 CarbonylContact C-O 3.47Å; V136-S139 PolarHBondContact N-O 3.41Å; V136-S139 WeakPolarHBondContact O-CA 3.44Å; V136-S139 WeakPolarHBondContact O-CB 3.17Å; V136-S139 PolarHBondContact O-N 3.2Å; V136-V141 HydrophobicContact CG2-CG2 4.32Å; V136-V180 HydrophobicContact CG2-CB 4.33Å; V136-P182 WeakPolarHBondContact CG1-O 2.97Å; V136-L184 HydrophobicContact CB-CD2 4.33Å; V136-L184 HydrophobicContact CG1-CD2 4.09Å
137	N	86.2	Confident	90.3	Very high	116 Å²	116	43.8 Å²	43.8	62%	0.62	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	-124.5	-175.4	-58.8	-38.2	0	0	0	111.2	S139 P182 A550	N137-S139 PolarHBondContact O-N 3.19Å; N137-P182 PolarHBondContact ND2-O 3.41Å; N137-A550 WeakPolarHBondContact O-CB 3.31Å
138	D	88	Confident	90.5	Very high	84 Å²	84	42.3 Å²	42.3	45%	0.449	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	17.1	176	-64.5	-43.7	0	0	0	113.7	V136 T154	V136-D138 PolarHBondContact O-N 2.78Å; D138-T154 VanDerWaalsContact C-OG1 3.29Å; D138-T154 VanDerWaalsContact O-CB 3.28Å; D138-T154 WeakPolarHBondContact O-CB 3.48Å; D138-T154 VanDerWaalsContact O-CG2 3.23Å; D138-T154 WeakPolarHBondContact O-CG2 3.35Å; D138-T154 PolarHBondContact O-N 3.47Å; D138-T154 PolarHBondContact O-OG1 3.18Å
139	S	92.8	Very high	90.7	Very high	19 Å²	19	40.8 Å²	40.8	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.3	179.9	-65.4	0	0	0	0	111.4	V136 N137 M152	V136-S139 CarbonylContact C-O 3.47Å; V136-S139 PolarHBondContact N-O 3.41Å; V136-S139 WeakPolarHBondContact O-CA 3.44Å; V136-S139 WeakPolarHBondContact O-CB 3.17Å; V136-S139 PolarHBondContact O-N 3.2Å; N137-S139 PolarHBondContact O-N 3.19Å; S139-M152 CarbonylContact C-O 3.47Å; S139-M152 WeakPolarHBondContact CA-O 3.24Å
140	F	94.5	Very high	91	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.1	174.9	-177.3	-102.9	0	0	0	109.1	F131 Y142 M152 T154 L549 V556 F592	F131-F140 HydrophobicContact CZ-CE1 4.38Å; F131-F140 HydrophobicContact CZ-CZ 4.01Å; F140-Y142 AromaticContact CD1-CD1 3.98Å; F140-Y142 HydrophobicContact CD1-CD1 3.98Å; F140-Y142 HydrophobicContact CE1-CD1 4.01Å; F140-Y142 HydrophobicContact CE1-CG 4.25Å; F140-M152 HydrophobicContact CB-CB 4.48Å; F140-M152 PolarHBondContact N-O 2.95Å; F140-M152 PolarHBondContact O-N 3.43Å; F140-T154 HydrophobicContact CB-CG2 4.24Å; F140-L549 HydrophobicContact CB-CD1 4.23Å; F140-L549 HydrophobicContact CB-CD2 4.34Å; F140-L549 HydrophobicContact CD2-CD2 3.44Å; F140-L549 VanDerWaalsContact CD2-CD2 3.44Å; F140-L549 HydrophobicContact CE2-CD2 3.94Å; F140-L549 HydrophobicContact CG-CD1 4.45Å; F140-L549 HydrophobicContact CG-CD2 4.06Å; F140-V556 HydrophobicContact CD2-CG2 4.49Å; F140-V556 HydrophobicContact CE1-CG2 4.27Å; F140-V556 HydrophobicContact CE2-CG2 3.85Å; F140-V556 HydrophobicContact CZ-CG1 4.3Å; F140-V556 HydrophobicContact CZ-CG2 3.71Å; F140-F592 HydrophobicContact CD1-CZ 4.13Å; F140-F592 HydrophobicContact CE1-CE1 4.24Å; F140-F592 HydrophobicContact CE1-CE2 4.03Å; F140-F592 AromaticContact CE1-CZ 3.68Å; F140-F592 HydrophobicContact CE1-CZ 3.68Å
141	V	95.1	Very high	91.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.4	179	-176.2	0	0	0	0	109	S133 Q134 V136 L149 L150 V151 L162 Y178 V180 L184	S133-V141 CarbonylContact C-O 3.56Å; S133-V141 VanDerWaalsContact CA-O 3.22Å; S133-V141 WeakPolarHBondContact CA-O 3.23Å; S133-V141 WeakPolarHBondContact CB-O 3.48Å; Q134-V141 PolarHBondContact N-O 3.32Å; Q134-V141 PolarHBondContact O-N 3.28Å; V136-V141 HydrophobicContact CG2-CG2 4.32Å; V141-L149 HydrophobicContact CG1-CD1 3.6Å; V141-L149 HydrophobicContact CG1-CD2 4.29Å; V141-L149 HydrophobicContact CG1-CG 3.8Å; V141-L150 VanDerWaalsContact CA-O 3.28Å; V141-L150 WeakPolarHBondContact CA-O 3.23Å; V141-L150 WeakPolarHBondContact CG1-O 3.22Å; V141-V151 HydrophobicContact CG2-CB 4.26Å; V141-V151 HydrophobicContact CG2-CG2 4Å; V141-L162 HydrophobicContact CG1-CD1 4.19Å; V141-L162 HydrophobicContact CG2-CD1 4.16Å; V141-Y178 HydrophobicContact CB-CE2 4.37Å; V141-Y178 HydrophobicContact CG1-CE2 3.73Å; V141-Y178 PolarHBondContact O-OH 3.04Å; V141-V180 HydrophobicContact CB-CG2 4.34Å; V141-V180 HydrophobicContact CG1-CG2 3.83Å; V141-V180 HydrophobicContact CG2-CB 4.44Å; V141-V180 HydrophobicContact CG2-CG2 4.12Å; V141-L184 HydrophobicContact CG2-CD2 4.5Å
142	Y	94.8	Very high	91.8	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.5	175	69.9	-81.3	0	0	0	111.8	N132 F140 T144 L150 M152 E159 Y178 K590 F592	N132-Y142 WeakPolarHBondContact O-CA 3.26Å; F140-Y142 AromaticContact CD1-CD1 3.98Å; F140-Y142 HydrophobicContact CD1-CD1 3.98Å; F140-Y142 HydrophobicContact CE1-CD1 4.01Å; F140-Y142 HydrophobicContact CE1-CG 4.25Å; Y142-T144 HydrophobicContact CE2-CG2 4.12Å; Y142-L150 HydrophobicContact CD1-CB 4.49Å; Y142-L150 HydrophobicContact CE1-CB 4.01Å; Y142-L150 HydrophobicContact CE2-CD1 4.33Å; Y142-L150 PolarHBondContact N-O 2.91Å; Y142-L150 PolarHBondContact O-N 3.39Å; Y142-L150 WeakPolarHBondContact OH-CD1 3.23Å; Y142-M152 HydrophobicContact CE1-CE 4.19Å; Y142-E159 PolarHBondContact OH-OE1 3.42Å; Y142-Y178 WeakPolarHBondContact CA-OH 3.39Å; Y142-K590 WeakPolarHBondContact OH-CE 3.32Å; Y142-K590 PolarHBondContact OH-NZ 2.85Å; Y142-K590 VanDerWaalsContact OH-NZ 3.08Å; Y142-F592 HydrophobicContact CD1-CD1 4.37Å; Y142-F592 AromaticContact CD1-CE1 3.86Å; Y142-F592 HydrophobicContact CD1-CE1 3.86Å; Y142-F592 AromaticContact CD2-CD1 3.89Å; Y142-F592 HydrophobicContact CD2-CD1 3.89Å; Y142-F592 HydrophobicContact CD2-CE1 4.21Å; Y142-F592 HydrophobicContact CE1-CD1 4.17Å; Y142-F592 AromaticContact CE1-CE1 3.59Å; Y142-F592 HydrophobicContact CE1-CE1 3.59Å; Y142-F592 AromaticContact CE2-CD1 3.66Å; Y142-F592 HydrophobicContact CE2-CD1 3.66Å; Y142-F592 AromaticContact CE2-CE1 3.97Å; Y142-F592 HydrophobicContact CE2-CE1 3.97Å; Y142-F592 HydrophobicContact CG-CD1 4.23Å; Y142-F592 HydrophobicContact CG-CE1 4.15Å; Y142-F592 AromaticContact CZ-CD1 3.8Å; Y142-F592 AromaticContact CZ-CE1 3.64Å
143	L	93.8	Very high	91.9	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.073	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.4	170	-78.9	170	0	0	0	110.4	N132 D148 L149 I168 F174 E176 Y178	N132-L143 PolarHBondContact O-N 2.91Å; N132-L143 VanDerWaalsContact O-N 3.11Å; L143-D148 WeakPolarHBondContact CA-O 3.46Å; L143-L149 HydrophobicContact CD2-CB 4.3Å; L143-L149 HydrophobicContact CD2-CD1 3.78Å; L143-L149 HydrophobicContact CG-CD1 3.99Å; L143-I168 HydrophobicContact CD2-CD1 4.37Å; L143-F174 HydrophobicContact CD1-CE1 4.15Å; L143-F174 HydrophobicContact CD1-CZ 4.26Å; L143-E176 HydrophobicContact CD1-CB 4.22Å; L143-Y178 HydrophobicContact CB-CE1 4.45Å; L143-Y178 HydrophobicContact CD1-CD1 3.65Å; L143-Y178 HydrophobicContact CD1-CE1 3.5Å; L143-Y178 HydrophobicContact CD2-CE1 4.5Å; L143-Y178 HydrophobicContact CG-CD1 3.91Å; L143-Y178 HydrophobicContact CG-CE1 3.49Å; L143-Y178 VanDerWaalsContact CG-CE1 3.49Å
144	T	92	Very high	91.8	Very high	25 Å²	25	37.3 Å²	37.3	15%	0.153	19%	0.192	C	C	.	.			trans	-78.5	171.7	171.2	71.5	0	0	0	0	111.4	Y142 E146 Q147 D148 L150	Y142-T144 HydrophobicContact CE2-CG2 4.12Å; T144-E146 PolarHBondContact O-N 3.04Å; T144-E146 PolarHBondContact OG1-N 3.18Å; T144-E146 PolarHBondContact OG1-OE2 2.99Å; T144-Q147 WeakPolarHBondContact O-CA 3.2Å; T144-Q147 PolarHBondContact O-N 2.91Å; T144-D148 HydrophobicContact CG2-CB 4.28Å; T144-D148 PolarHBondContact N-O 3.35Å; T144-D148 PolarHBondContact OG1-N 3.43Å; T144-D148 PolarHBondContact OG1-O 3.11Å; T144-L150 HydrophobicContact CG2-CD1 3.44Å; T144-L150 VanDerWaalsContact CG2-CD1 3.44Å; T144-L150 HydrophobicContact CG2-CG 3.74Å
145	K	87	Confident	91.7	Very high	126 Å²	126	39 Å²	39	55%	0.548	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.3	172.8	-179.2	176.4	-177	161.9	0	112.5	E129 Q147	E129-K145 HydrophobicContact CG-CD 4.44Å; E129-K145 WeakPolarHBondContact OE1-CE 3.47Å; E129-K145 IonicContact OE1-NZ 3.54Å; E129-K145 PolarHBondContact OE1-NZ 2.79Å; K145-Q147 PolarHBondContact O-N 2.93Å
146	E	88.4	Confident	91.8	Very high	115 Å²	115	41.8 Å²	41.8	54%	0.537	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.5	176.2	-60.4	71.4	-153	0	0	112.7	T144 D148 H165	T144-E146 PolarHBondContact O-N 3.04Å; T144-E146 PolarHBondContact OG1-N 3.18Å; T144-E146 PolarHBondContact OG1-OE2 2.99Å; E146-D148 VanDerWaalsContact C-N 3.29Å; E146-D148 PolarHBondContact O-N 3.32Å; E146-H165 WeakPolarHBondContact O-CB 3.35Å
147	Q	89.5	Confident	91.9	Very high	45 Å²	45	43.2 Å²	43.2	21%	0.21	23%	0.225	C	C	.	.			trans	64	26	-173.6	-57.3	-178.5	-21.2	0	0	114.2	T144 K145 H165 I168 E176	T144-Q147 WeakPolarHBondContact O-CA 3.2Å; T144-Q147 PolarHBondContact O-N 2.91Å; K145-Q147 PolarHBondContact O-N 2.93Å; Q147-H165 HydrophobicContact CB-CB 4.2Å; Q147-H165 WeakPolarHBondContact O-CB 3.49Å; Q147-I168 VanDerWaalsContact O-CD1 3.25Å; Q147-I168 WeakPolarHBondContact O-CD1 3.14Å; Q147-E176 PolarHBondContact NE2-OE1 3.36Å; Q147-E176 VanDerWaalsContact NE2-OE1 3.07Å
148	D	92.5	Very high	92.3	Very high	32 Å²	32	44.7 Å²	44.7	17%	0.171	23%	0.226	C	C	.	.			trans	-77.7	141.7	165.4	-68.9	-48.8	0	0	0	109.6	L143 T144 E146 L161 S164 H165	L143-D148 WeakPolarHBondContact CA-O 3.46Å; T144-D148 HydrophobicContact CG2-CB 4.28Å; T144-D148 PolarHBondContact N-O 3.35Å; T144-D148 PolarHBondContact OG1-N 3.43Å; T144-D148 PolarHBondContact OG1-O 3.11Å; E146-D148 VanDerWaalsContact C-N 3.29Å; E146-D148 PolarHBondContact O-N 3.32Å; D148-L161 HydrophobicContact CB-CD1 3.85Å; D148-S164 VanDerWaalsContact OD1-CA 3.25Å; D148-S164 WeakPolarHBondContact OD1-CA 3.4Å; D148-S164 PolarHBondContact OD1-OG 3.43Å; D148-H165 IonicContact OD1-CE1 3.12Å; D148-H165 IonicContact OD1-CG 2.82Å; D148-H165 PolarHBondContact OD1-N 3.34Å; D148-H165 IonicContact OD1-ND1 2.76Å; D148-H165 PolarHBondContact OD1-ND1 2.97Å; D148-H165 IonicContact OD2-ND1 3.92Å
149	L	93.9	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.1	176.6	-166.6	70.4	0	0	0	109.9	V141 L143 L162 L163 I168 Y178 V180 V187	V141-L149 HydrophobicContact CG1-CD1 3.6Å; V141-L149 HydrophobicContact CG1-CD2 4.29Å; V141-L149 HydrophobicContact CG1-CG 3.8Å; L143-L149 HydrophobicContact CD2-CB 4.3Å; L143-L149 HydrophobicContact CD2-CD1 3.78Å; L143-L149 HydrophobicContact CG-CD1 3.99Å; L149-L162 HydrophobicContact CD2-CB 4.41Å; L149-L162 HydrophobicContact CD2-CD1 4.45Å; L149-L162 HydrophobicContact CG-CB 4.47Å; L149-L162 WeakPolarHBondContact O-CB 3.31Å; L149-L162 PolarHBondContact O-N 3.28Å; L149-L163 HydrophobicContact CB-CB 4.04Å; L149-L163 HydrophobicContact CD2-CB 4.4Å; L149-L163 PolarHBondContact N-O 3.23Å; L149-L163 PolarHBondContact O-N 3.11Å; L149-I168 HydrophobicContact CB-CD1 4.41Å; L149-Y178 HydrophobicContact CD1-CD1 4.1Å; L149-Y178 HydrophobicContact CD1-CD2 3.79Å; L149-Y178 HydrophobicContact CD1-CE1 3.95Å; L149-Y178 HydrophobicContact CD1-CE2 3.61Å; L149-Y178 HydrophobicContact CD1-CG 4.02Å; L149-Y178 HydrophobicContact CD2-CD2 4.38Å; L149-V180 HydrophobicContact CD2-CG2 4.11Å; L149-V187 HydrophobicContact CD2-CB 4.43Å; L149-V187 HydrophobicContact CD2-CG2 3.93Å
150	L	94.3	Very high	92.6	Very high	27 Å²	27	45.6 Å²	45.6	14%	0.141	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.2	179.9	-63	-178	0	0	0	111	V141 Y142 T144 L161	V141-L150 VanDerWaalsContact CA-O 3.28Å; V141-L150 WeakPolarHBondContact CA-O 3.23Å; V141-L150 WeakPolarHBondContact CG1-O 3.22Å; Y142-L150 HydrophobicContact CD1-CB 4.49Å; Y142-L150 HydrophobicContact CE1-CB 4.01Å; Y142-L150 HydrophobicContact CE2-CD1 4.33Å; Y142-L150 PolarHBondContact N-O 2.91Å; Y142-L150 PolarHBondContact O-N 3.39Å; Y142-L150 WeakPolarHBondContact OH-CD1 3.23Å; T144-L150 HydrophobicContact CG2-CD1 3.44Å; T144-L150 VanDerWaalsContact CG2-CD1 3.44Å; T144-L150 HydrophobicContact CG2-CG 3.74Å; L150-L161 HydrophobicContact CD2-CB 4.06Å; L150-L161 HydrophobicContact CD2-CD1 3.76Å
151	V	94.6	Very high	92.5	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.073	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.9	165	65.8	0	0	0	0	110.1	V141 E159 T160 L162 L184	V141-V151 HydrophobicContact CG2-CB 4.26Å; V141-V151 HydrophobicContact CG2-CG2 4Å; V151-E159 CarbonylContact O-C 3.39Å; V151-E159 VanDerWaalsContact O-CA 3.29Å; V151-E159 WeakPolarHBondContact O-CA 3.44Å; V151-T160 PolarHBondContact N-O 2.92Å; V151-T160 PolarHBondContact O-N 3.33Å; V151-L162 HydrophobicContact CB-CD1 3.74Å; V151-L162 HydrophobicContact CB-CD2 4Å; V151-L162 HydrophobicContact CB-CG 3.68Å; V151-L162 HydrophobicContact CG1-CD1 4.21Å; V151-L162 HydrophobicContact CG1-CD2 3.48Å; V151-L162 VanDerWaalsContact CG1-CD2 3.48Å; V151-L162 HydrophobicContact CG1-CG 3.64Å; V151-L184 HydrophobicContact CG2-CD1 4.14Å; V151-L184 HydrophobicContact CG2-CD2 4.48Å
152	M	94.3	Very high	92.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.4	173.5	-175	-170.9	-65.4	0	0	109.2	S139 F140 Y142 T154 L157 E159 L569 K590 F592	S139-M152 CarbonylContact C-O 3.47Å; S139-M152 WeakPolarHBondContact CA-O 3.24Å; F140-M152 HydrophobicContact CB-CB 4.48Å; F140-M152 PolarHBondContact N-O 2.95Å; F140-M152 PolarHBondContact O-N 3.43Å; Y142-M152 HydrophobicContact CE1-CE 4.19Å; M152-T154 PolarHBondContact O-N 3.01Å; M152-L157 HydrophobicContact SD-CD2 3.98Å; M152-E159 HydrophobicContact CB-CG 4.15Å; M152-E159 HydrophobicContact CE-CG 4.04Å; M152-E159 WeakPolarHBondContact CE-OE1 3.32Å; M152-E159 HydrophobicContact CG-CG 4.13Å; M152-L569 HydrophobicContact CE-CD2 4.12Å; M152-L569 HydrophobicContact SD-CD2 3.65Å; M152-K590 HydrophobicContact CE-CD 4.06Å; M152-F592 HydrophobicContact CE-CE1 3.86Å; M152-F592 HydrophobicContact CE-CZ 3.94Å
153	D	92.7	Very high	92.1	Very high	54 Å²	54	49.4 Å²	49.4	29%	0.289	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.6	170.6	175.6	-81.5	0	0	0	109.5	N155 T156 L157 K158	D153-N155 PolarHBondContact O-N 3.4Å; D153-N155 WeakPolarHBondContact OD1-CA 3.28Å; D153-N155 WeakPolarHBondContact OD1-CB 3.46Å; D153-N155 PolarHBondContact OD1-N 3.12Å; D153-T156 WeakPolarHBondContact CB-OG1 3.36Å; D153-T156 VanDerWaalsContact CG-OG1 3.27Å; D153-T156 WeakPolarHBondContact OD1-CB 3.4Å; D153-T156 PolarHBondContact OD1-N 3.1Å; D153-T156 PolarHBondContact OD1-OG1 2.85Å; D153-L157 WeakPolarHBondContact O-CA 3.41Å; D153-L157 PolarHBondContact O-N 2.89Å; D153-K158 PolarHBondContact N-O 2.79Å
154	T	90.6	Very high	92	Very high	2 Å²	2	50 Å²	50	1%	0.012	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.4	-172.2	64.2	0	0	0	0	113.7	D138 F140 M152 L549 N551 Y554	D138-T154 VanDerWaalsContact C-OG1 3.29Å; D138-T154 VanDerWaalsContact O-CB 3.28Å; D138-T154 WeakPolarHBondContact O-CB 3.48Å; D138-T154 VanDerWaalsContact O-CG2 3.23Å; D138-T154 WeakPolarHBondContact O-CG2 3.35Å; D138-T154 PolarHBondContact O-N 3.47Å; D138-T154 PolarHBondContact O-OG1 3.18Å; F140-T154 HydrophobicContact CB-CG2 4.24Å; M152-T154 PolarHBondContact O-N 3.01Å; T154-L549 HydrophobicContact CG2-CB 4.28Å; T154-L549 HydrophobicContact CG2-CD1 3.72Å; T154-N551 PolarHBondContact O-ND2 2.96Å; T154-N551 PolarHBondContact OG1-ND2 2.94Å; T154-Y554 WeakPolarHBondContact O-CE2 3.39Å
155	N	91.3	Very high	91.9	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-41.6	178.8	-69.2	-48.8	0	0	0	111.7	D153	D153-N155 PolarHBondContact O-N 3.4Å; D153-N155 WeakPolarHBondContact OD1-CA 3.28Å; D153-N155 WeakPolarHBondContact OD1-CB 3.46Å; D153-N155 PolarHBondContact OD1-N 3.12Å
156	T	91.9	Very high	92	Very high	98 Å²	98	51 Å²	51	60%	0.601	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-15.5	-175.3	61.9	0	0	0	0	113.5	D153 K158	D153-T156 WeakPolarHBondContact CB-OG1 3.36Å; D153-T156 VanDerWaalsContact CG-OG1 3.27Å; D153-T156 WeakPolarHBondContact OD1-CB 3.4Å; D153-T156 PolarHBondContact OD1-N 3.1Å; D153-T156 PolarHBondContact OD1-OG1 2.85Å; T156-K158 PolarHBondContact O-N 3.44Å; T156-K158 PolarHBondContact OG1-N 3.05Å
157	L	91.8	Very high	92	Very high	41 Å²	41	46.3 Å²	46.3	22%	0.215	24%	0.243	C	C	.	.			trans	58.6	16.8	-172	-55.1	178.5	0	0	0	114.1	M152 D153 Y554 L569 I589	M152-L157 HydrophobicContact SD-CD2 3.98Å; D153-L157 WeakPolarHBondContact O-CA 3.41Å; D153-L157 PolarHBondContact O-N 2.89Å; L157-Y554 HydrophobicContact CD1-CE1 3.81Å; L157-Y554 HydrophobicContact CD2-CD1 4.32Å; L157-Y554 HydrophobicContact CD2-CE1 3.9Å; L157-Y554 HydrophobicContact CD2-CE2 4.11Å; L157-Y554 HydrophobicContact CG-CE1 4.28Å; L157-L569 HydrophobicContact CD2-CD2 4.07Å; L157-I589 HydrophobicContact CD1-CD1 3.93Å; L157-I589 HydrophobicContact CD1-CG2 4.11Å
158	K	93.6	Very high	92.1	Very high	146 Å²	146	44.1 Å²	44.1	64%	0.635	23%	0.233	S	C	*	.			trans	-74.9	129.3	176.9	-175.1	-177.1	175.3	-172.2	0	109.6	D153 T156	D153-K158 PolarHBondContact N-O 2.79Å; T156-K158 PolarHBondContact O-N 3.44Å; T156-K158 PolarHBondContact OG1-N 3.05Å
159	E	93.5	Very high	91.9	Very high	64 Å²	64	47.4 Å²	47.4	30%	0.299	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.8	176.1	-63.8	-178.3	147.6	0	0	111.5	Y142 V151 M152 K590	Y142-E159 PolarHBondContact OH-OE1 3.42Å; V151-E159 CarbonylContact O-C 3.39Å; V151-E159 VanDerWaalsContact O-CA 3.29Å; V151-E159 WeakPolarHBondContact O-CA 3.44Å; M152-E159 HydrophobicContact CB-CG 4.15Å; M152-E159 HydrophobicContact CE-CG 4.04Å; M152-E159 WeakPolarHBondContact CE-OE1 3.32Å; M152-E159 HydrophobicContact CG-CG 4.13Å; E159-K590 VanDerWaalsContact OE1-CE 3.27Å; E159-K590 WeakPolarHBondContact OE1-CE 3.14Å; E159-K590 IonicContact OE1-NZ 3.58Å; E159-K590 PolarHBondContact OE1-NZ 2.69Å; E159-K590 IonicContact OE2-NZ 3.61Å; E159-K590 PolarHBondContact OE2-NZ 3.25Å
160	T	93.6	Very high	91.6	Very high	58 Å²	58	53.7 Å²	53.7	36%	0.356	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.3	175.3	-54.6	0	0	0	0	109.1	V151 L162 A212	V151-T160 PolarHBondContact N-O 2.92Å; V151-T160 PolarHBondContact O-N 3.33Å; T160-L162 PolarHBondContact O-N 3.31Å; T160-A212 HydrophobicContact CG2-CB 4.27Å
161	L	92.3	Very high	91.3	Very high	83 Å²	83	54.1 Å²	54.1	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	116.8	172.2	-177.9	66.2	0	0	0	109.5	D148 L150 L163 A212	D148-L161 HydrophobicContact CB-CD1 3.85Å; L150-L161 HydrophobicContact CD2-CB 4.06Å; L150-L161 HydrophobicContact CD2-CD1 3.76Å; L161-L163 WeakPolarHBondContact CD1-O 3.47Å; L161-A212 WeakPolarHBondContact O-CB 3.15Å
162	L	91	Very high	91	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-51.7	172.3	-73.1	-172.5	0	0	0	110.6	V141 L149 V151 T160 V180 L210	V141-L162 HydrophobicContact CG1-CD1 4.19Å; V141-L162 HydrophobicContact CG2-CD1 4.16Å; L149-L162 HydrophobicContact CD2-CB 4.41Å; L149-L162 HydrophobicContact CD2-CD1 4.45Å; L149-L162 HydrophobicContact CG-CB 4.47Å; L149-L162 WeakPolarHBondContact O-CB 3.31Å; L149-L162 PolarHBondContact O-N 3.28Å; V151-L162 HydrophobicContact CB-CD1 3.74Å; V151-L162 HydrophobicContact CB-CD2 4Å; V151-L162 HydrophobicContact CB-CG 3.68Å; V151-L162 HydrophobicContact CG1-CD1 4.21Å; V151-L162 HydrophobicContact CG1-CD2 3.48Å; V151-L162 VanDerWaalsContact CG1-CD2 3.48Å; V151-L162 HydrophobicContact CG1-CG 3.64Å; T160-L162 PolarHBondContact O-N 3.31Å; L162-V180 HydrophobicContact CD1-CG1 4.33Å; L162-V180 HydrophobicContact CD1-CG2 4.4Å; L162-L210 HydrophobicContact CB-CD1 4.39Å; L162-L210 HydrophobicContact CB-CD2 4.12Å; L162-L210 HydrophobicContact CD1-CD1 4.13Å; L162-L210 HydrophobicContact CD2-CD1 4.24Å; L162-L210 WeakPolarHBondContact O-CD2 3.36Å
163	L	91.3	Very high	90.8	Very high	1 Å²	1	60 Å²	60	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	131.7	-175.5	-164.7	68.2	0	0	0	110.1	L149 L161 V167 I168 V187 L189 V208 L210 E220	L149-L163 HydrophobicContact CB-CB 4.04Å; L149-L163 HydrophobicContact CD2-CB 4.4Å; L149-L163 PolarHBondContact N-O 3.23Å; L149-L163 PolarHBondContact O-N 3.11Å; L161-L163 WeakPolarHBondContact CD1-O 3.47Å; L163-V167 HydrophobicContact CD1-CB 3.96Å; L163-V167 HydrophobicContact CD1-CG1 3.95Å; L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 HydrophobicContact CG-CB 4.19Å; L163-V167 HydrophobicContact CG-CG1 4.45Å; L163-I168 HydrophobicContact CD2-CD1 4.15Å; L163-I168 HydrophobicContact CD2-CG1 3.57Å; L163-I168 HydrophobicContact CG-CD1 4.44Å; L163-I168 HydrophobicContact CG-CG1 4.09Å; L163-V187 HydrophobicContact CD2-CG1 3.89Å; L163-L189 HydrophobicContact CD2-CD1 3.82Å; L163-L189 HydrophobicContact CD2-CD2 4.43Å; L163-V208 HydrophobicContact CD1-CG1 3.85Å; L163-V208 HydrophobicContact CD2-CB 4.48Å; L163-V208 HydrophobicContact CD2-CG1 4.36Å; L163-L210 HydrophobicContact CB-CD2 4.11Å; L163-L210 HydrophobicContact CD1-CD2 4.33Å; L163-E220 WeakPolarHBondContact CD1-OE2 3.25Å
164	S	91.1	Very high	90.7	Very high	27 Å²	27	58.9 Å²	58.9	19%	0.189	32%	0.32	C	S	.	.			trans	-81.2	148.9	177.6	-176.7	0	0	0	0	111.7	D148 L166 V167 I168	D148-S164 VanDerWaalsContact OD1-CA 3.25Å; D148-S164 WeakPolarHBondContact OD1-CA 3.4Å; D148-S164 PolarHBondContact OD1-OG 3.43Å; S164-L166 PolarHBondContact O-N 2.81Å; S164-L166 VanDerWaalsContact O-N 3.15Å; S164-L166 PolarHBondContact OG-N 2.86Å; S164-V167 PolarHBondContact O-N 3.14Å; S164-I168 PolarHBondContact O-N 2.87Å
165	H	90.8	Very high	90.6	Very high	52 Å²	52	60.5 Å²	60.5	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-51	-33.6	170.1	69.8	-85	0	0	0	112.5	E146 Q147 D148 V167 I168 Q169	E146-H165 WeakPolarHBondContact O-CB 3.35Å; Q147-H165 HydrophobicContact CB-CB 4.2Å; Q147-H165 WeakPolarHBondContact O-CB 3.49Å; D148-H165 IonicContact OD1-CE1 3.12Å; D148-H165 IonicContact OD1-CG 2.82Å; D148-H165 PolarHBondContact OD1-N 3.34Å; D148-H165 IonicContact OD1-ND1 2.76Å; D148-H165 PolarHBondContact OD1-ND1 2.97Å; D148-H165 IonicContact OD2-ND1 3.92Å; H165-V167 PolarHBondContact O-N 3.31Å; H165-I168 PolarHBondContact O-N 3.44Å; H165-Q169 VanDerWaalsContact O-CB 3.28Å; H165-Q169 WeakPolarHBondContact O-CB 3.27Å; H165-Q169 VanDerWaalsContact O-CG 3.27Å; H165-Q169 WeakPolarHBondContact O-CG 3.38Å; H165-Q169 PolarHBondContact O-N 3.19Å
166	L	88.8	Confident	90.5	Very high	118 Å²	118	59.2 Å²	59.2	62%	0.618	32%	0.319	S	S	*	.	H	α-helix	trans	-56.7	-37.6	176.7	-66.5	177.9	0	0	0	112.2	S164	S164-L166 PolarHBondContact O-N 2.81Å; S164-L166 VanDerWaalsContact O-N 3.15Å; S164-L166 PolarHBondContact OG-N 2.86Å
167	V	88.9	Confident	90.4	Very high	17 Å²	17	55.7 Å²	55.7	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-79	-45.3	178.5	-177.8	0	0	0	0	109.7	L163 S164 H165 Q169 E170 V208 E220 R222	L163-V167 HydrophobicContact CD1-CB 3.96Å; L163-V167 HydrophobicContact CD1-CG1 3.95Å; L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 HydrophobicContact CG-CB 4.19Å; L163-V167 HydrophobicContact CG-CG1 4.45Å; S164-V167 PolarHBondContact O-N 3.14Å; H165-V167 PolarHBondContact O-N 3.31Å; V167-Q169 PolarHBondContact O-N 2.86Å; V167-E170 WeakPolarHBondContact O-CB 3.04Å; V167-E170 WeakPolarHBondContact O-CG 3.37Å; V167-E170 PolarHBondContact O-N 2.7Å; V167-E170 VanDerWaalsContact O-N 3.13Å; V167-V208 HydrophobicContact CG1-CG1 4.43Å; V167-E220 WeakPolarHBondContact CB-OE2 3.43Å; V167-E220 WeakPolarHBondContact CG1-OE2 3.37Å; V167-E220 WeakPolarHBondContact CG2-OE2 3.2Å; V167-R222 PolarHBondContact O-NH2 2.96Å
168	I	90.6	Very high	90.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.4	-41	-179.3	-68.3	166.4	0	0	0	110.5	L143 Q147 L149 L163 S164 H165 F174 L189 Y191	L143-I168 HydrophobicContact CD2-CD1 4.37Å; Q147-I168 VanDerWaalsContact O-CD1 3.25Å; Q147-I168 WeakPolarHBondContact O-CD1 3.14Å; L149-I168 HydrophobicContact CB-CD1 4.41Å; L163-I168 HydrophobicContact CD2-CD1 4.15Å; L163-I168 HydrophobicContact CD2-CG1 3.57Å; L163-I168 HydrophobicContact CG-CD1 4.44Å; L163-I168 HydrophobicContact CG-CG1 4.09Å; S164-I168 PolarHBondContact O-N 2.87Å; H165-I168 PolarHBondContact O-N 3.44Å; I168-F174 HydrophobicContact CG2-CB 4.16Å; I168-F174 HydrophobicContact CG2-CD1 3.34Å; I168-F174 HydrophobicContact CG2-CD2 3.9Å; I168-F174 HydrophobicContact CG2-CE1 3.53Å; I168-F174 HydrophobicContact CG2-CE2 4.11Å; I168-F174 HydrophobicContact CG2-CG 3.53Å; I168-F174 HydrophobicContact CG2-CZ 3.93Å; I168-L189 HydrophobicContact CG1-CD1 4.1Å; I168-L189 HydrophobicContact CG1-CD2 4.49Å; I168-Y191 PolarHBondContact O-OH 2.91Å
169	Q	89	Confident	90.6	Very high	100 Å²	100	49.9 Å²	49.9	47%	0.467	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2.4	-177.3	-64.4	174.8	-7.4	0	0	114.4	H165 V167 K171	H165-Q169 VanDerWaalsContact O-CB 3.28Å; H165-Q169 WeakPolarHBondContact O-CB 3.27Å; H165-Q169 VanDerWaalsContact O-CG 3.27Å; H165-Q169 WeakPolarHBondContact O-CG 3.38Å; H165-Q169 PolarHBondContact O-N 3.19Å; V167-Q169 PolarHBondContact O-N 2.86Å; Q169-K171 PolarHBondContact O-N 3.07Å; Q169-K171 VanDerWaalsContact O-N 3.16Å
170	E	87.7	Confident	90.7	Very high	133 Å²	133	46.9 Å²	46.9	62%	0.621	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.6	168.3	-72.6	177.4	162	0	0	112.1	V167 R222	V167-E170 WeakPolarHBondContact O-CB 3.04Å; V167-E170 WeakPolarHBondContact O-CG 3.37Å; V167-E170 PolarHBondContact O-N 2.7Å; V167-E170 VanDerWaalsContact O-N 3.13Å; E170-R222 IonicContact OE2-NE 3.02Å; E170-R222 PolarHBondContact OE2-NE 3.37Å; E170-R222 IonicContact OE2-NH2 3.16Å
171	K	88.5	Confident	90.8	Very high	35 Å²	35	44.1 Å²	44.1	15%	0.152	24%	0.238	C	C	.	.	S	Bend	trans	-115	130.3	174.2	-170.5	167.5	-176.5	164.5	0	108.9	Q169 Y191 D206 E224	Q169-K171 PolarHBondContact O-N 3.07Å; Q169-K171 VanDerWaalsContact O-N 3.16Å; K171-Y191 HydrophobicContact CB-CD1 3.97Å; K171-Y191 HydrophobicContact CB-CE1 3.67Å; K171-Y191 HydrophobicContact CD-CD1 4.08Å; K171-Y191 HydrophobicContact CD-CD2 3.91Å; K171-Y191 HydrophobicContact CD-CE1 4.36Å; K171-Y191 HydrophobicContact CD-CE2 4.18Å; K171-Y191 HydrophobicContact CD-CG 3.85Å; K171-Y191 HydrophobicContact CG-CD1 3.82Å; K171-Y191 HydrophobicContact CG-CE1 4.06Å; K171-Y191 HydrophobicContact CG-CG 4.09Å; K171-Y191 WeakPolarHBondContact O-CE1 3.49Å; K171-D206 VanDerWaalsContact CD-OD2 3.23Å; K171-D206 WeakPolarHBondContact CD-OD2 3.45Å; K171-D206 IonicContact NZ-OD1 2.78Å; K171-D206 PolarHBondContact NZ-OD1 3.5Å; K171-D206 IonicContact NZ-OD2 3.09Å; K171-D206 PolarHBondContact NZ-OD2 2.78Å; K171-D206 VanDerWaalsContact NZ-OD2 3.17Å; K171-E224 IonicContact NZ-OE1 2.65Å; K171-E224 PolarHBondContact NZ-OE1 2.96Å
172	A	88.7	Confident	90.8	Very high	81 Å²	81	41.7 Å²	41.7	67%	0.669	23%	0.227	S	C	*	.	S	Bend	trans	-67.5	167.1	177.5	0	0	0	0	0	111.6	F174 Y191	A172-F174 VanDerWaalsContact C-N 3.32Å; A172-F174 PolarHBondContact O-N 3.37Å; A172-Y191 WeakPolarHBondContact O-CD1 3.35Å
173	A	88.7	Confident	90.8	Very high	58 Å²	58	45.7 Å²	45.7	48%	0.479	25%	0.248	S	C	.	.			trans	58.4	37.8	175.8	0	0	0	0	0	114.6	M175 Y191 D192	A173-M175 PolarHBondContact O-N 3.26Å; A173-Y191 WeakPolarHBondContact O-CA 3.47Å; A173-D192 WeakPolarHBondContact CB-OD1 3.47Å; A173-D192 PolarHBondContact O-N 3.37Å
174	F	91.3	Very high	90.9	Very high	30 Å²	30	47 Å²	47	13%	0.132	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	130.6	166.4	177.7	-127.2	0	0	0	109.9	L143 I168 A172 E176 K177 L189 A190 Y191	L143-F174 HydrophobicContact CD1-CE1 4.15Å; L143-F174 HydrophobicContact CD1-CZ 4.26Å; I168-F174 HydrophobicContact CG2-CB 4.16Å; I168-F174 HydrophobicContact CG2-CD1 3.34Å; I168-F174 HydrophobicContact CG2-CD2 3.9Å; I168-F174 HydrophobicContact CG2-CE1 3.53Å; I168-F174 HydrophobicContact CG2-CE2 4.11Å; I168-F174 HydrophobicContact CG2-CG 3.53Å; I168-F174 HydrophobicContact CG2-CZ 3.93Å; A172-F174 VanDerWaalsContact C-N 3.32Å; A172-F174 PolarHBondContact O-N 3.37Å; F174-E176 VanDerWaalsContact C-N 3.34Å; F174-E176 HydrophobicContact CD1-CG 4.31Å; F174-E176 HydrophobicContact CE1-CB 4.33Å; F174-E176 HydrophobicContact CE1-CG 4.25Å; F174-E176 VanDerWaalsContact CZ-CA 3.49Å; F174-K177 WeakPolarHBondContact CE2-O 3.34Å; F174-L189 HydrophobicContact CE2-CB 4.26Å; F174-L189 HydrophobicContact CE2-CD2 4Å; F174-L189 HydrophobicContact CZ-CD2 4.33Å; F174-A190 WeakPolarHBondContact CD2-O 3.49Å; F174-Y191 HydrophobicContact CB-CD1 4.05Å; F174-Y191 HydrophobicContact CB-CE1 3.72Å; F174-Y191 HydrophobicContact CD2-CD1 4.44Å; F174-Y191 HydrophobicContact CD2-CE1 4.01Å; F174-Y191 HydrophobicContact CG-CE1 4.29Å
175	M	88.7	Confident	90.8	Very high	37 Å²	37	47.3 Å²	47.3	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	11.9	-173.2	-61.4	-178.9	57.5	0	0	113.8	A173 K177 A190 L193 S203	A173-M175 PolarHBondContact O-N 3.26Å; M175-K177 HydrophobicContact CE-CD 4.44Å; M175-K177 PolarHBondContact O-N 3.24Å; M175-A190 PolarHBondContact N-O 3.49Å; M175-A190 HydrophobicContact SD-CB 4.5Å; M175-L193 HydrophobicContact CE-CB 3.68Å; M175-L193 HydrophobicContact CE-CD1 3.8Å; M175-L193 HydrophobicContact CE-CD2 3.81Å; M175-L193 HydrophobicContact CE-CG 3.96Å; M175-L193 HydrophobicContact SD-CB 3.91Å; M175-S203 PolarHBondContact SD-OG 2.84Å
176	E	89.4	Confident	90.9	Very high	58 Å²	58	44.8 Å²	44.8	27%	0.271	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.6	17.1	-172.6	-56.4	-175.4	168.5	0	0	113.8	P130 N132 L143 Q147 F174	P130-E176 VanDerWaalsContact CB-OE2 3.31Å; P130-E176 WeakPolarHBondContact CB-OE2 3.34Å; N132-E176 PolarHBondContact ND2-O 3.12Å; L143-E176 HydrophobicContact CD1-CB 4.22Å; Q147-E176 PolarHBondContact NE2-OE1 3.36Å; Q147-E176 VanDerWaalsContact NE2-OE1 3.07Å; F174-E176 VanDerWaalsContact C-N 3.34Å; F174-E176 HydrophobicContact CD1-CG 4.31Å; F174-E176 HydrophobicContact CE1-CB 4.33Å; F174-E176 HydrophobicContact CE1-CG 4.25Å; F174-E176 VanDerWaalsContact CZ-CA 3.49Å
177	K	89.5	Confident	91.2	Very high	23 Å²	23	39.2 Å²	39.2	10%	0.1	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129	177.1	-71.2	-178.6	-176.2	177.2	0	110.4	T3 F174 M175 A190	T3-K177 WeakPolarHBondContact OG1-CE 3.45Å; T3-K177 PolarHBondContact OG1-NZ 3.07Å; F174-K177 WeakPolarHBondContact CE2-O 3.34Å; M175-K177 HydrophobicContact CE-CD 4.44Å; M175-K177 PolarHBondContact O-N 3.24Å; K177-A190 HydrophobicContact CB-CB 3.77Å; K177-A190 PolarHBondContact O-N 2.97Å
178	Y	94.5	Very high	91.5	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.8	179.3	62.7	-86.9	0	0	0	110.8	N132 S133 Q134 V141 Y142 L143 L149 V180 I188	N132-Y178 HydrophobicContact CB-CE1 4.28Å; N132-Y178 PolarHBondContact O-OH 3.42Å; S133-Y178 WeakPolarHBondContact CA-OH 3.36Å; S133-Y178 PolarHBondContact N-OH 3.44Å; Q134-Y178 HydrophobicContact CB-CE2 4.03Å; V141-Y178 HydrophobicContact CB-CE2 4.37Å; V141-Y178 HydrophobicContact CG1-CE2 3.73Å; V141-Y178 PolarHBondContact O-OH 3.04Å; Y142-Y178 WeakPolarHBondContact CA-OH 3.39Å; L143-Y178 HydrophobicContact CB-CE1 4.45Å; L143-Y178 HydrophobicContact CD1-CD1 3.65Å; L143-Y178 HydrophobicContact CD1-CE1 3.5Å; L143-Y178 HydrophobicContact CD2-CE1 4.5Å; L143-Y178 HydrophobicContact CG-CD1 3.91Å; L143-Y178 HydrophobicContact CG-CE1 3.49Å; L143-Y178 VanDerWaalsContact CG-CE1 3.49Å; L149-Y178 HydrophobicContact CD1-CD1 4.1Å; L149-Y178 HydrophobicContact CD1-CD2 3.79Å; L149-Y178 HydrophobicContact CD1-CE1 3.95Å; L149-Y178 HydrophobicContact CD1-CE2 3.61Å; L149-Y178 HydrophobicContact CD1-CG 4.02Å; L149-Y178 HydrophobicContact CD2-CD2 4.38Å; Y178-V180 HydrophobicContact CD2-CG2 4Å; Y178-V180 HydrophobicContact CE2-CG2 4.31Å; Y178-I188 CarbonylContact C-O 3.55Å; Y178-I188 WeakPolarHBondContact CA-O 3.2Å
179	F	95.3	Very high	91.7	Very high	54 Å²	54	38.4 Å²	38.4	24%	0.237	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	104.1	175	-46.3	-86.5	0	0	0	108.4	I188 Y205 I240 W242	F179-I188 HydrophobicContact CB-CB 4.19Å; F179-I188 HydrophobicContact CD2-CB 4.08Å; F179-I188 HydrophobicContact CD2-CG2 3.89Å; F179-I188 PolarHBondContact N-O 3Å; F179-I188 PolarHBondContact O-N 3.39Å; F179-Y205 AromaticContact CE2-CE1 4Å; F179-Y205 HydrophobicContact CE2-CE1 4Å; F179-I240 HydrophobicContact CD2-CG2 4.18Å; F179-I240 HydrophobicContact CE2-CG2 3.91Å; F179-W242 PolarHBondContact O-NE1 2.87Å
180	V	95.3	Very high	92	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.9	175	-174.4	0	0	0	0	109.5	Q134 V136 V141 L149 L162 Y178 L184 V187 L210	Q134-V180 PolarHBondContact NE2-O 2.99Å; V136-V180 HydrophobicContact CG2-CB 4.33Å; V141-V180 HydrophobicContact CB-CG2 4.34Å; V141-V180 HydrophobicContact CG1-CG2 3.83Å; V141-V180 HydrophobicContact CG2-CB 4.44Å; V141-V180 HydrophobicContact CG2-CG2 4.12Å; L149-V180 HydrophobicContact CD2-CG2 4.11Å; L162-V180 HydrophobicContact CD1-CG1 4.33Å; L162-V180 HydrophobicContact CD1-CG2 4.4Å; Y178-V180 HydrophobicContact CD2-CG2 4Å; Y178-V180 HydrophobicContact CE2-CG2 4.31Å; V180-L184 HydrophobicContact CG1-CD2 3.62Å; V180-V187 HydrophobicContact CG2-CB 4.32Å; V180-V187 HydrophobicContact CG2-CG2 3.92Å; V180-L210 HydrophobicContact CG1-CD1 4.3Å
181	A	94.7	Very high	92.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.			trans	-63.8	144.5	176.3	0	0	0	0	0	110.6	D183 L184 A186 W242	A181-D183 PolarHBondContact O-N 3.16Å; A181-D183 VanDerWaalsContact O-N 3.07Å; A181-L184 PolarHBondContact O-N 2.97Å; A181-A186 WeakPolarHBondContact CB-O 3.44Å; A181-A186 PolarHBondContact N-O 3.44Å; A181-W242 HydrophobicContact CB-CD2 3.9Å; A181-W242 HydrophobicContact CB-CE3 4.21Å; A181-W242 HydrophobicContact CB-CG 4.35Å; A181-W242 HydrophobicContact CB-CH2 4.29Å; A181-W242 HydrophobicContact CB-CZ2 3.98Å; A181-W242 HydrophobicContact CB-CZ3 4.38Å
182	P	92.9	Very high	92.4	Very high	32 Å²	32	28 Å²	28	21%	0.208	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.2	-178.7	-31.5	35.6	0	0	0	116.3	V136 N137 P244 S246	V136-P182 WeakPolarHBondContact CG1-O 2.97Å; N137-P182 PolarHBondContact ND2-O 3.41Å; P182-P244 WeakPolarHBondContact CB-O 3.26Å; P182-S246 VanDerWaalsContact CD-OG 3.31Å; P182-S246 WeakPolarHBondContact CD-OG 3.4Å
183	D	91.8	Very high	92.2	Very high	90 Å²	90	26.4 Å²	26.4	48%	0.481	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.5	177.9	71.8	-16.1	0	0	0	114.3	A181 S185 S246	A181-D183 PolarHBondContact O-N 3.16Å; A181-D183 VanDerWaalsContact O-N 3.07Å; D183-S185 VanDerWaalsContact CG-OG 3.24Å; D183-S185 PolarHBondContact O-N 3.4Å; D183-S185 VanDerWaalsContact O-N 3.16Å; D183-S185 VanDerWaalsContact OD1-CB 3.24Å; D183-S185 WeakPolarHBondContact OD1-CB 3.4Å; D183-S185 PolarHBondContact OD1-N 3Å; D183-S185 VanDerWaalsContact OD1-N 3.07Å; D183-S185 PolarHBondContact OD1-OG 3.44Å; D183-S185 WeakPolarHBondContact OD2-CB 3.34Å; D183-S185 PolarHBondContact OD2-OG 2.94Å; D183-S246 PolarHBondContact N-OG 2.97Å; D183-S246 VanDerWaalsContact N-OG 3.15Å; D183-S246 WeakPolarHBondContact OD1-CB 3.26Å; D183-S246 PolarHBondContact OD1-OG 3.45Å; D183-S246 WeakPolarHBondContact OD2-CB 2.92Å
184	L	91.7	Very high	91.8	Very high	29 Å²	29	28.5 Å²	28.5	15%	0.152	14%	0.143	C	C	.	.	S	Bend	trans	58.8	19.8	-177.1	-51	176.4	0	0	0	114.7	V136 V141 V151 V180 A181 L210	V136-L184 HydrophobicContact CB-CD2 4.33Å; V136-L184 HydrophobicContact CG1-CD2 4.09Å; V141-L184 HydrophobicContact CG2-CD2 4.5Å; V151-L184 HydrophobicContact CG2-CD1 4.14Å; V151-L184 HydrophobicContact CG2-CD2 4.48Å; V180-L184 HydrophobicContact CG1-CD2 3.62Å; A181-L184 PolarHBondContact O-N 2.97Å; L184-L210 WeakPolarHBondContact O-CD1 3.48Å
185	S	89.6	Confident	90.8	Very high	33 Å²	33	30.2 Å²	30.2	23%	0.231	15%	0.154	C	C	.	.	S	Bend	trans	-79.4	-24	-178.6	65.3	0	0	0	0	114.2	D183 L210	D183-S185 VanDerWaalsContact CG-OG 3.24Å; D183-S185 PolarHBondContact O-N 3.4Å; D183-S185 VanDerWaalsContact O-N 3.16Å; D183-S185 VanDerWaalsContact OD1-CB 3.24Å; D183-S185 WeakPolarHBondContact OD1-CB 3.4Å; D183-S185 PolarHBondContact OD1-N 3Å; D183-S185 VanDerWaalsContact OD1-N 3.07Å; D183-S185 PolarHBondContact OD1-OG 3.44Å; D183-S185 WeakPolarHBondContact OD2-CB 3.34Å; D183-S185 PolarHBondContact OD2-OG 2.94Å; S185-L210 PolarHBondContact O-N 3.14Å
186	A	92.9	Very high	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	164.7	-176.2	0	0	0	0	0	111.9	A181 V207 V208 W242 L264	A181-A186 WeakPolarHBondContact CB-O 3.44Å; A181-A186 PolarHBondContact N-O 3.44Å; A186-V207 HydrophobicContact CB-CG1 4.06Å; A186-V208 CarbonylContact C-O 3.59Å; A186-V208 VanDerWaalsContact CA-O 3.29Å; A186-V208 WeakPolarHBondContact CA-O 3.49Å; A186-V208 WeakPolarHBondContact CB-O 3.29Å; A186-W242 HydrophobicContact CB-CH2 3.87Å; A186-W242 HydrophobicContact CB-CZ2 3.94Å; A186-L264 HydrophobicContact CB-CD1 3.92Å; A186-L264 HydrophobicContact CB-CD2 3.88Å; A186-L264 HydrophobicContact CB-CG 4.36Å
187	V	95	Very high	88.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.6	173.2	61.3	0	0	0	0	110.1	L149 L163 V180 L189 V207 V208 L210	L149-V187 HydrophobicContact CD2-CB 4.43Å; L149-V187 HydrophobicContact CD2-CG2 3.93Å; L163-V187 HydrophobicContact CD2-CG1 3.89Å; V180-V187 HydrophobicContact CG2-CB 4.32Å; V180-V187 HydrophobicContact CG2-CG2 3.92Å; V187-L189 HydrophobicContact CG1-CD2 4.38Å; V187-L189 HydrophobicContact CG1-CG 4.44Å; V187-L189 HydrophobicContact CG2-CD2 3.98Å; V187-V207 WeakPolarHBondContact O-CA 3.48Å; V187-V208 HydrophobicContact CG1-CB 4.06Å; V187-V208 PolarHBondContact N-O 2.89Å; V187-V208 PolarHBondContact O-N 2.8Å; V187-L210 HydrophobicContact CB-CD1 4.35Å; V187-L210 HydrophobicContact CB-CD2 4.39Å; V187-L210 HydrophobicContact CG1-CD2 3.78Å; V187-L210 HydrophobicContact CG1-CG 4.31Å
188	I	95.9	Very high	87.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.3	166.4	-66	161.3	0	0	0	107.7	Y178 F179 Y205 D206 V207 I240 W242 I249	Y178-I188 CarbonylContact C-O 3.55Å; Y178-I188 WeakPolarHBondContact CA-O 3.2Å; F179-I188 HydrophobicContact CB-CB 4.19Å; F179-I188 HydrophobicContact CD2-CB 4.08Å; F179-I188 HydrophobicContact CD2-CG2 3.89Å; F179-I188 PolarHBondContact N-O 3Å; F179-I188 PolarHBondContact O-N 3.39Å; I188-Y205 HydrophobicContact CG2-CD1 3.75Å; I188-Y205 HydrophobicContact CG2-CG 4.31Å; I188-D206 CarbonylContact C-O 3.56Å; I188-D206 VanDerWaalsContact CA-O 3.31Å; I188-D206 WeakPolarHBondContact CA-O 3.33Å; I188-V207 HydrophobicContact CG1-CG2 4.09Å; I188-I240 HydrophobicContact CD1-CD1 3.76Å; I188-I240 HydrophobicContact CD1-CG1 3.91Å; I188-I240 HydrophobicContact CG1-CD1 4.32Å; I188-I240 HydrophobicContact CG2-CD1 3.89Å; I188-I240 HydrophobicContact CG2-CG2 4.3Å; I188-W242 HydrophobicContact CD1-CD2 3.96Å; I188-W242 VanDerWaalsContact CD1-CE2 3.4Å; I188-W242 HydrophobicContact CD1-CG 4.14Å; I188-W242 HydrophobicContact CD1-CZ2 3.85Å; I188-W242 VanDerWaalsContact CD1-NE1 3.26Å; I188-W242 HydrophobicContact CG1-CZ2 3.6Å; I188-I249 HydrophobicContact CD1-CD1 4.02Å; I188-I249 HydrophobicContact CD1-CG1 4.35Å; I188-I249 HydrophobicContact CD1-CG2 4.33Å; I188-I249 HydrophobicContact CG1-CD1 4.32Å
189	L	95.5	Very high	85.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.7	175.7	-60.2	176	0	0	0	109.7	L163 I168 F174 V187 Y191 Y205 D206 V208	L163-L189 HydrophobicContact CD2-CD1 3.82Å; L163-L189 HydrophobicContact CD2-CD2 4.43Å; I168-L189 HydrophobicContact CG1-CD1 4.1Å; I168-L189 HydrophobicContact CG1-CD2 4.49Å; F174-L189 HydrophobicContact CE2-CB 4.26Å; F174-L189 HydrophobicContact CE2-CD2 4Å; F174-L189 HydrophobicContact CZ-CD2 4.33Å; V187-L189 HydrophobicContact CG1-CD2 4.38Å; V187-L189 HydrophobicContact CG1-CG 4.44Å; V187-L189 HydrophobicContact CG2-CD2 3.98Å; L189-Y191 HydrophobicContact CB-CD2 4.35Å; L189-Y191 HydrophobicContact CB-CE2 3.49Å; L189-Y191 VanDerWaalsContact CB-CE2 3.49Å; L189-Y191 HydrophobicContact CD1-CE2 4.37Å; L189-Y191 WeakPolarHBondContact CD1-OH 3.42Å; L189-Y205 WeakPolarHBondContact O-CA 3.34Å; L189-D206 PolarHBondContact N-O 2.99Å; L189-D206 PolarHBondContact O-N 3.28Å; L189-V208 HydrophobicContact CD1-CG2 3.82Å; L189-V208 HydrophobicContact CG-CG2 4.46Å
190	A	94.7	Very high	84.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.2	177.5	0	0	0	0	0	112.1	F174 M175 K177 K204 Y205	F174-A190 WeakPolarHBondContact CD2-O 3.49Å; M175-A190 PolarHBondContact N-O 3.49Å; M175-A190 HydrophobicContact SD-CB 4.5Å; K177-A190 HydrophobicContact CB-CB 3.77Å; K177-A190 PolarHBondContact O-N 2.97Å; A190-K204 WeakPolarHBondContact CA-O 3.38Å; A190-Y205 HydrophobicContact CB-CD1 3.71Å; A190-Y205 HydrophobicContact CB-CE1 3.4Å; A190-Y205 VanDerWaalsContact CB-CE1 3.4Å
191	Y	93.3	Very high	83.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157	-179.8	-63	-84.9	0	0	0	110.1	I168 K171 A172 A173 F174 L189 K204 D206 R222	I168-Y191 PolarHBondContact O-OH 2.91Å; K171-Y191 HydrophobicContact CB-CD1 3.97Å; K171-Y191 HydrophobicContact CB-CE1 3.67Å; K171-Y191 HydrophobicContact CD-CD1 4.08Å; K171-Y191 HydrophobicContact CD-CD2 3.91Å; K171-Y191 HydrophobicContact CD-CE1 4.36Å; K171-Y191 HydrophobicContact CD-CE2 4.18Å; K171-Y191 HydrophobicContact CD-CG 3.85Å; K171-Y191 HydrophobicContact CG-CD1 3.82Å; K171-Y191 HydrophobicContact CG-CE1 4.06Å; K171-Y191 HydrophobicContact CG-CG 4.09Å; K171-Y191 WeakPolarHBondContact O-CE1 3.49Å; A172-Y191 WeakPolarHBondContact O-CD1 3.35Å; A173-Y191 WeakPolarHBondContact O-CA 3.47Å; F174-Y191 HydrophobicContact CB-CD1 4.05Å; F174-Y191 HydrophobicContact CB-CE1 3.72Å; F174-Y191 HydrophobicContact CD2-CD1 4.44Å; F174-Y191 HydrophobicContact CD2-CE1 4.01Å; F174-Y191 HydrophobicContact CG-CE1 4.29Å; L189-Y191 HydrophobicContact CB-CD2 4.35Å; L189-Y191 HydrophobicContact CB-CE2 3.49Å; L189-Y191 VanDerWaalsContact CB-CE2 3.49Å; L189-Y191 HydrophobicContact CD1-CE2 4.37Å; L189-Y191 WeakPolarHBondContact CD1-OH 3.42Å; Y191-K204 PolarHBondContact N-O 3.02Å; Y191-K204 WeakPolarHBondContact O-CB 3.4Å; Y191-K204 PolarHBondContact O-N 3.28Å; Y191-K204 VanDerWaalsContact O-O 3.14Å; Y191-D206 HydrophobicContact CD2-CB 4.49Å; Y191-D206 HydrophobicContact CE2-CB 4.12Å; Y191-R222 VanDerWaalsContact CZ-NH1 3.28Å; Y191-R222 PolarHBondContact OH-NH1 2.76Å; Y191-R222 PolarHBondContact OH-NH2 3.08Å
192	D	90.1	Very high	83.1	Confident	50 Å²	50	34.2 Å²	34.2	27%	0.267	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.4	108.7	174	-67.2	-31.7	0	0	0	114.2	A173 S203 K204 F236	A173-D192 WeakPolarHBondContact CB-OD1 3.47Å; A173-D192 PolarHBondContact O-N 3.37Å; D192-S203 WeakPolarHBondContact O-CA 3.43Å; D192-K204 HydrophobicContact CB-CD 4.19Å; D192-K204 HydrophobicContact CB-CG 4.41Å; D192-K204 WeakPolarHBondContact OD2-CD 3.35Å; D192-K204 WeakPolarHBondContact OD2-CE 3.28Å; D192-K204 IonicContact OD2-NZ 3.73Å; D192-K204 PolarHBondContact OD2-NZ 3Å; D192-F236 HydrophobicContact CB-CE1 3.8Å; D192-F236 HydrophobicContact CB-CZ 4.28Å; D192-F236 WeakPolarHBondContact O-CE1 3.39Å
193	L	84.7	Confident	83.1	Confident	47 Å²	47	32.7 Å²	32.7	25%	0.246	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.7	174.5	-171.6	52.3	0	0	0	111.5	M1 T3 M175 P196	M1-L193 HydrophobicContact CE-CD2 4.38Å; M1-L193 HydrophobicContact SD-CD2 3.75Å; T3-L193 HydrophobicContact CG2-CD2 3.97Å; M175-L193 HydrophobicContact CE-CB 3.68Å; M175-L193 HydrophobicContact CE-CD1 3.8Å; M175-L193 HydrophobicContact CE-CD2 3.81Å; M175-L193 HydrophobicContact CE-CG 3.96Å; M175-L193 HydrophobicContact SD-CB 3.91Å; L193-P196 HydrophobicContact CD2-CB 3.92Å; L193-P196 HydrophobicContact CG-CB 4.23Å
194	K	81.6	Confident	83.2	Confident	102 Å²	102	30 Å²	30	44%	0.443	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.8	171.4	-178.5	173.9	-178.5	175.2	0	110.9	K202 F236	K194-K202 PolarHBondContact N-O 2.86Å; K194-K202 PolarHBondContact O-N 2.98Å; K194-F236 HydrophobicContact CB-CD1 3.38Å; K194-F236 HydrophobicContact CB-CD2 4.26Å; K194-F236 HydrophobicContact CB-CE1 3.4Å; K194-F236 VanDerWaalsContact CB-CE1 3.4Å; K194-F236 HydrophobicContact CB-CE2 4.28Å; K194-F236 HydrophobicContact CB-CG 3.82Å; K194-F236 HydrophobicContact CB-CZ 3.86Å; K194-F236 HydrophobicContact CD-CB 4.47Å; K194-F236 HydrophobicContact CD-CD1 4.22Å; K194-F236 HydrophobicContact CD-CD2 3.52Å; K194-F236 HydrophobicContact CD-CE1 4.32Å; K194-F236 HydrophobicContact CD-CE2 3.65Å; K194-F236 HydrophobicContact CD-CG 3.82Å; K194-F236 HydrophobicContact CD-CZ 4.04Å; K194-F236 HydrophobicContact CG-CD1 4.43Å; K194-F236 HydrophobicContact CG-CE1 4.48Å; K194-F236 HydrophobicContact CG-CG 4.44Å
195	D	70.5	Confident	83.4	Confident	66 Å²	66	29.2 Å²	29.2	35%	0.353	15%	0.148	S	C	.	.	S	Bend	trans	47.4	59.2	-178.2	-68.6	-52	0	0	0	111.5	T197	D195-T197 PolarHBondContact O-N 3.18Å; D195-T197 VanDerWaalsContact O-N 3.08Å
196	P	65	Low	83.6	Confident	54 Å²	54	27.7 Å²	27.7	35%	0.351	14%	0.137	S	C	.	.			trans	-53.8	121.7	175.7	26.4	-35.4	0	0	0	108.6	M1 L193	M1-P196 HydrophobicContact CE-CB 3.89Å; M1-P196 HydrophobicContact CE-CG 3.7Å; L193-P196 HydrophobicContact CD2-CB 3.92Å; L193-P196 HydrophobicContact CG-CB 4.23Å
197	T	65.1	Low	83.7	Confident	41 Å²	41	27.7 Å²	27.7	25%	0.252	14%	0.137	S	C	.	.			trans	-91.2	173.6	161.1	68	0	0	0	0	107.5	D195 R199 C200 E293	D195-T197 PolarHBondContact O-N 3.18Å; D195-T197 VanDerWaalsContact O-N 3.08Å; T197-R199 VanDerWaalsContact C-N 3.28Å; T197-R199 PolarHBondContact O-N 3.44Å; T197-C200 CarbonylContact C-O 3.56Å; T197-C200 WeakPolarHBondContact CA-O 3.24Å; T197-C200 PolarHBondContact N-O 3.49Å; T197-C200 PolarHBondContact OG1-N 3.2Å; T197-C200 PolarHBondContact OG1-O 3.04Å; T197-E293 PolarHBondContact OG1-OE1 2.93Å
198	R	61.4	Low	83.5	Confident	71 Å²	71	27.7 Å²	27.7	27%	0.268	14%	0.137	S	C	.	.	S	Bend	trans	-59.6	-36.2	178.3	174.6	167.5	117.1	90.7	-10.3	113.6	E294 F845	R198-E294 WeakPolarHBondContact CD-OE2 3.48Å; R198-E294 IonicContact CZ-OE1 2.93Å; R198-E294 IonicContact CZ-OE2 3.63Å; R198-E294 IonicContact NE-OE1 3.29Å; R198-E294 PolarHBondContact NE-OE1 2.02Å; R198-E294 IonicContact NE-OE2 3.94Å; R198-E294 PolarHBondContact NE-OE2 3.33Å; R198-E294 IonicContact NH2-OE1 3.07Å; R198-E294 PolarHBondContact NH2-OE1 3.31Å; R198-E294 IonicContact NH2-OE2 2.98Å; R198-F845 HydrophobicContact CB-CE2 3.93Å; R198-F845 HydrophobicContact CB-CZ 4.46Å; R198-F845 HydrophobicContact CG-CE2 3.54Å; R198-F845 HydrophobicContact CG-CZ 3.58Å
199	R	64.9	Low	83.2	Confident	26 Å²	26	32.4 Å²	32.4	10%	0.098	16%	0.155	C	C	.	.	S	Bend	trans	-101.4	-47	-176.6	-63.1	-69.1	-176.5	179.1	-5.5	111.7	E4 C6 T197 E293	E4-R199 IonicContact OE2-CZ 2.83Å; E4-R199 IonicContact OE2-NH1 3.5Å; E4-R199 PolarHBondContact OE2-NH1 3.28Å; C6-R199 PolarHBondContact SG-O 2.96Å; C6-R199 VanDerWaalsContact SG-O 3.37Å; T197-R199 VanDerWaalsContact C-N 3.28Å; T197-R199 PolarHBondContact O-N 3.44Å; R199-E293 HydrophobicContact CB-CG 3.87Å; R199-E293 WeakPolarHBondContact CB-OE1 3.36Å; R199-E293 HydrophobicContact CG-CG 4.19Å
200	C	64.9	Low	82.9	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.014	16%	0.156	C	C	.	.			trans	-133.5	-166.5	-172.7	-60.2	0	0	0	0	111.2	C6 T197 E293 N300	C6-C200 WeakPolarHBondContact CB-SG 3.27Å; C6-C200 VanDerWaalsContact SG-CA 3.53Å; C6-C200 WeakPolarHBondContact SG-CB 3.37Å; C6-C200 CovalentContact SG-SG 2.05Å; C6-C200 PolarHBondContact SG-SG 3.01Å; T197-C200 CarbonylContact C-O 3.56Å; T197-C200 WeakPolarHBondContact CA-O 3.24Å; T197-C200 PolarHBondContact N-O 3.49Å; T197-C200 PolarHBondContact OG1-N 3.2Å; T197-C200 PolarHBondContact OG1-O 3.04Å; C200-E293 WeakPolarHBondContact CB-OE1 3.45Å; C200-E293 PolarHBondContact N-OE1 3.14Å; C200-E293 VanDerWaalsContact N-OE1 3.12Å; C200-N300 HydrophobicContact CB-CB 3.73Å; C200-N300 PolarHBondContact SG-OD1 2.95Å
201	G	74.9	Confident	81.6	Confident	10 Å²	10	34.5 Å²	34.5	10%	0.103	17%	0.166	C	C	.	.			trans	176.1	162.4	178.6	0	0	0	0	0	109.6
202	K	88.8	Confident	79.9	Confident	65 Å²	65	36.8 Å²	36.8	28%	0.283	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.3	-174.8	-46.4	-170	-176.4	-140.4	0	108.9	K194 F236 L237 D238	K194-K202 PolarHBondContact N-O 2.86Å; K194-K202 PolarHBondContact O-N 2.98Å; K202-F236 HydrophobicContact CB-CB 3.7Å; K202-L237 VanDerWaalsContact CA-O 3.25Å; K202-L237 WeakPolarHBondContact CA-O 3.45Å; K202-D238 WeakPolarHBondContact CD-OD1 3.26Å; K202-D238 WeakPolarHBondContact CE-OD1 3.31Å; K202-D238 IonicContact NZ-OD1 2.73Å; K202-D238 PolarHBondContact NZ-OD1 2.62Å
203	S	93.1	Very high	78.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.5	-178.9	-44.8	0	0	0	0	110.8	M175 D192 Y205 L237	M175-S203 PolarHBondContact SD-OG 2.84Å; D192-S203 WeakPolarHBondContact O-CA 3.43Å; S203-Y205 VanDerWaalsContact O-CD2 3.23Å; S203-Y205 WeakPolarHBondContact O-CD2 3.46Å; S203-Y205 VanDerWaalsContact O-CE2 3.22Å; S203-Y205 WeakPolarHBondContact O-CE2 3.44Å; S203-L237 PolarHBondContact N-O 3.1Å; S203-L237 VanDerWaalsContact N-O 3.11Å; S203-L237 PolarHBondContact O-N 3.12Å
204	K	94.7	Very high	76	Confident	34 Å²	34	40.9 Å²	40.9	15%	0.148	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	147.1	164.3	-69.9	-179.9	-167.3	160.9	0	109	A190 Y191 D192 Q234 F236	A190-K204 WeakPolarHBondContact CA-O 3.38Å; Y191-K204 PolarHBondContact N-O 3.02Å; Y191-K204 WeakPolarHBondContact O-CB 3.4Å; Y191-K204 PolarHBondContact O-N 3.28Å; Y191-K204 VanDerWaalsContact O-O 3.14Å; D192-K204 HydrophobicContact CB-CD 4.19Å; D192-K204 HydrophobicContact CB-CG 4.41Å; D192-K204 WeakPolarHBondContact OD2-CD 3.35Å; D192-K204 WeakPolarHBondContact OD2-CE 3.28Å; D192-K204 IonicContact OD2-NZ 3.73Å; D192-K204 PolarHBondContact OD2-NZ 3Å; K204-Q234 HydrophobicContact CB-CG 4.36Å; K204-Q234 HydrophobicContact CD-CB 4.27Å; K204-Q234 HydrophobicContact CD-CG 4.36Å; K204-Q234 HydrophobicContact CG-CG 4.21Å; K204-F236 HydrophobicContact CD-CZ 4.5Å; K204-F236 HydrophobicContact CG-CD1 4.09Å; K204-F236 HydrophobicContact CG-CE1 4.09Å; K204-F236 HydrophobicContact CG-CG 4.45Å; K204-F236 HydrophobicContact CG-CZ 4.45Å
205	Y	95.5	Very high	74.2	Confident	12 Å²	12	46.3 Å²	46.3	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.2	-174.1	-65.1	-81.8	0	0	0	111.8	F179 I188 L189 A190 S203 I225 Q234 L237 I240	F179-Y205 AromaticContact CE2-CE1 4Å; F179-Y205 HydrophobicContact CE2-CE1 4Å; I188-Y205 HydrophobicContact CG2-CD1 3.75Å; I188-Y205 HydrophobicContact CG2-CG 4.31Å; L189-Y205 WeakPolarHBondContact O-CA 3.34Å; A190-Y205 HydrophobicContact CB-CD1 3.71Å; A190-Y205 HydrophobicContact CB-CE1 3.4Å; A190-Y205 VanDerWaalsContact CB-CE1 3.4Å; S203-Y205 VanDerWaalsContact O-CD2 3.23Å; S203-Y205 WeakPolarHBondContact O-CD2 3.46Å; S203-Y205 VanDerWaalsContact O-CE2 3.22Å; S203-Y205 WeakPolarHBondContact O-CE2 3.44Å; Y205-I225 WeakPolarHBondContact O-CB 3.13Å; Y205-I225 PolarHBondContact O-N 3.33Å; Y205-Q234 PolarHBondContact O-NE2 2.94Å; Y205-L237 HydrophobicContact CD2-CB 3.88Å; Y205-L237 HydrophobicContact CD2-CD1 3.82Å; Y205-L237 HydrophobicContact CD2-CG 4.05Å; Y205-L237 HydrophobicContact CE2-CB 3.89Å; Y205-I240 HydrophobicContact CD1-CG2 3.67Å; Y205-I240 HydrophobicContact CD2-CB 4.49Å; Y205-I240 HydrophobicContact CD2-CG2 4.21Å; Y205-I240 HydrophobicContact CE1-CG2 3.47Å; Y205-I240 VanDerWaalsContact CE1-CG2 3.47Å; Y205-I240 HydrophobicContact CE2-CB 4.48Å; Y205-I240 HydrophobicContact CE2-CG2 4.04Å; Y205-I240 HydrophobicContact CG-CD1 4.12Å; Y205-I240 HydrophobicContact CG-CG2 4.01Å
206	D	93.7	Very high	72.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.3	176.5	-60.5	-2.3	0	0	0	109.4	K171 I188 L189 Y191 R222 I223 Q234	K171-D206 VanDerWaalsContact CD-OD2 3.23Å; K171-D206 WeakPolarHBondContact CD-OD2 3.45Å; K171-D206 IonicContact NZ-OD1 2.78Å; K171-D206 PolarHBondContact NZ-OD1 3.5Å; K171-D206 IonicContact NZ-OD2 3.09Å; K171-D206 PolarHBondContact NZ-OD2 2.78Å; K171-D206 VanDerWaalsContact NZ-OD2 3.17Å; I188-D206 CarbonylContact C-O 3.56Å; I188-D206 VanDerWaalsContact CA-O 3.31Å; I188-D206 WeakPolarHBondContact CA-O 3.33Å; L189-D206 PolarHBondContact N-O 2.99Å; L189-D206 PolarHBondContact O-N 3.28Å; Y191-D206 HydrophobicContact CD2-CB 4.49Å; Y191-D206 HydrophobicContact CE2-CB 4.12Å; D206-R222 HydrophobicContact CB-CG 4.01Å; D206-R222 WeakPolarHBondContact OD2-CD 3.3Å; D206-R222 IonicContact OD2-CZ 3.84Å; D206-R222 IonicContact OD2-NH1 2.94Å; D206-R222 PolarHBondContact OD2-NH1 3.17Å; D206-I223 CarbonylContact C-O 3.13Å; D206-I223 WeakPolarHBondContact CA-O 3.48Å; D206-Q234 PolarHBondContact OD1-NE2 2.86Å
207	V	94.1	Very high	71.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.8	169.6	-175.4	0	0	0	0	108.2	A186 V187 I188 R222 I223 I225 W242 I249 L264	A186-V207 HydrophobicContact CB-CG1 4.06Å; V187-V207 WeakPolarHBondContact O-CA 3.48Å; I188-V207 HydrophobicContact CG1-CG2 4.09Å; V207-R222 WeakPolarHBondContact O-CA 3.42Å; V207-I223 PolarHBondContact N-O 2.78Å; V207-I223 PolarHBondContact O-N 2.93Å; V207-I225 HydrophobicContact CG2-CD1 3.49Å; V207-I225 VanDerWaalsContact CG2-CD1 3.49Å; V207-I225 HydrophobicContact CG2-CG1 3.75Å; V207-W242 HydrophobicContact CG1-CH2 3.95Å; V207-W242 HydrophobicContact CG1-CZ2 4.16Å; V207-I249 HydrophobicContact CG2-CD1 3.6Å; V207-L264 HydrophobicContact CG1-CD2 3.59Å
208	V	92.4	Very high	70.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.9	174.2	-174.1	0	0	0	0	108.7	L163 V167 A186 V187 L189 E220 R222	L163-V208 HydrophobicContact CD1-CG1 3.85Å; L163-V208 HydrophobicContact CD2-CB 4.48Å; L163-V208 HydrophobicContact CD2-CG1 4.36Å; V167-V208 HydrophobicContact CG1-CG1 4.43Å; A186-V208 CarbonylContact C-O 3.59Å; A186-V208 VanDerWaalsContact CA-O 3.29Å; A186-V208 WeakPolarHBondContact CA-O 3.49Å; A186-V208 WeakPolarHBondContact CB-O 3.29Å; V187-V208 HydrophobicContact CG1-CB 4.06Å; V187-V208 PolarHBondContact N-O 2.89Å; V187-V208 PolarHBondContact O-N 2.8Å; L189-V208 HydrophobicContact CD1-CG2 3.82Å; L189-V208 HydrophobicContact CG-CG2 4.46Å; V208-E220 HydrophobicContact CG1-CB 4.3Å; V208-R222 HydrophobicContact CG2-CB 4.42Å; V208-R222 HydrophobicContact CG2-CG 4.38Å
209	R	89.3	Confident	70	Confident	100 Å²	100	58.4 Å²	58.4	38%	0.377	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.8	173.5	-173.4	173.1	-172.9	148.1	6.3	110	L264	R209-L264 HydrophobicContact CB-CD2 4.12Å; R209-L264 HydrophobicContact CG-CD1 4.34Å
210	L	87.6	Confident	69.6	Low	7 Å²	7	60.2 Å²	60.2	4%	0.037	32%	0.32	C	S	.	.			trans	-88.9	126.5	177.8	-61.6	173.1	0	0	0	110	L162 L163 V180 L184 S185 V187	L162-L210 HydrophobicContact CB-CD1 4.39Å; L162-L210 HydrophobicContact CB-CD2 4.12Å; L162-L210 HydrophobicContact CD1-CD1 4.13Å; L162-L210 HydrophobicContact CD2-CD1 4.24Å; L162-L210 WeakPolarHBondContact O-CD2 3.36Å; L163-L210 HydrophobicContact CB-CD2 4.11Å; L163-L210 HydrophobicContact CD1-CD2 4.33Å; V180-L210 HydrophobicContact CG1-CD1 4.3Å; L184-L210 WeakPolarHBondContact O-CD1 3.48Å; S185-L210 PolarHBondContact O-N 3.14Å; V187-L210 HydrophobicContact CB-CD1 4.35Å; V187-L210 HydrophobicContact CB-CD2 4.39Å; V187-L210 HydrophobicContact CG1-CD2 3.78Å; V187-L210 HydrophobicContact CG1-CG 4.31Å
211	N	68.8	Low	69.9	Low	37 Å²	37	66 Å²	66	20%	0.198	34%	0.341	C	S	.	.			trans	-88.6	-17.1	-179	-75.9	-27.8	0	0	0	113	V213 T214 G218 E220	N211-V213 PolarHBondContact O-N 3.22Å; N211-T214 CarbonylContact O-C 3.55Å; N211-T214 VanDerWaalsContact O-C 3.3Å; N211-T214 PolarHBondContact O-N 3.06Å; N211-G218 PolarHBondContact ND2-O 2.94Å; N211-G218 VanDerWaalsContact ND2-O 3.12Å; N211-E220 WeakPolarHBondContact ND2-CG 3.37Å
212	A	56.1	Low	70.4	Confident	49 Å²	49	68.2 Å²	68.2	41%	0.405	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.9	-164.3	0	0	0	0	0	115.5	T160 L161	T160-A212 HydrophobicContact CG2-CB 4.27Å; L161-A212 WeakPolarHBondContact O-CB 3.15Å
213	V	52.2	Low	70.4	Confident	107 Å²	107	65.9 Å²	65.9	65%	0.648	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-20.8	-178.3	-174.1	0	0	0	0	112.6	N211	N211-V213 PolarHBondContact O-N 3.22Å
214	T	42.5	Very low	70.3	Confident	76 Å²	76	70.6 Å²	70.6	47%	0.466	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	114.5	174.4	50.4	0	0	0	0	108.1	N211 R216	N211-T214 CarbonylContact O-C 3.55Å; N211-T214 VanDerWaalsContact O-C 3.3Å; N211-T214 PolarHBondContact O-N 3.06Å; T214-R216 PolarHBondContact O-N 3.15Å
215	K	42	Very low	70.2	Confident	216 Å²	216	69 Å²	69	94%	0.939	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	60.1	175.8	-66.5	-178.4	175.3	-179.1	0	114
216	R	43.9	Very low	69.9	Low	171 Å²	171	68.7 Å²	68.7	65%	0.645	35%	0.352	S	S	*	.			trans	-99.5	102.6	172.6	-74.9	-171.6	176.6	-170	1	105.8	T214 G218	T214-R216 PolarHBondContact O-N 3.15Å; R216-G218 PolarHBondContact O-N 3.03Å
217	T	39.6	Very low	69.6	Low	154 Å²	154	71 Å²	71	95%	0.945	37%	0.366	S	S	*	.			trans	-67.6	82.6	165.5	49.5	0	0	0	0	108.2
218	G	45.8	Very low	69.2	Low	31 Å²	31	74.1 Å²	74.1	32%	0.32	38%	0.383	S	S	.	.			trans	-129.7	144.8	167.6	0	0	0	0	0	108.4	N211 R216 E220	N211-G218 PolarHBondContact ND2-O 2.94Å; N211-G218 VanDerWaalsContact ND2-O 3.12Å; R216-G218 PolarHBondContact O-N 3.03Å; G218-E220 PolarHBondContact O-N 3.03Å
219	P	46.3	Very low	68.5	Low	129 Å²	129	79.4 Å²	79.4	84%	0.838	41%	0.411	S	S	*	.			trans	-53.9	130.8	176.3	24	-32.1	0	0	0	108.1	R221	P219-R221 PolarHBondContact O-N 2.84Å
220	E	55.8	Low	67.8	Low	64 Å²	64	83.3 Å²	83.3	30%	0.299	43%	0.434	S	S	.	.			trans	-54.5	115.5	177.3	-69.6	-179.2	-175.9	0	0	108	L163 V167 V208 N211 G218 R222	L163-E220 WeakPolarHBondContact CD1-OE2 3.25Å; V167-E220 WeakPolarHBondContact CB-OE2 3.43Å; V167-E220 WeakPolarHBondContact CG1-OE2 3.37Å; V167-E220 WeakPolarHBondContact CG2-OE2 3.2Å; V208-E220 HydrophobicContact CG1-CB 4.3Å; N211-E220 WeakPolarHBondContact ND2-CG 3.37Å; G218-E220 PolarHBondContact O-N 3.03Å; E220-R222 PolarHBondContact O-N 3.34Å; E220-R222 VanDerWaalsContact O-N 3.17Å
221	R	71.2	Confident	67.2	Low	125 Å²	125	86 Å²	86	47%	0.472	45%	0.451	S	S	.	.			trans	-85.9	95.7	-176.9	-159.5	-177.4	-166.6	172.8	12.3	107.4	P219 I223	P219-R221 PolarHBondContact O-N 2.84Å; R221-I223 HydrophobicContact CG-CG1 4.26Å
222	R	84.9	Confident	67.6	Low	55 Å²	55	91.6 Å²	91.6	21%	0.208	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.9	166	179.6	-175.7	-74.4	-90.4	-0.8	109	V167 E170 Y191 D206 V207 V208 E220	V167-R222 PolarHBondContact O-NH2 2.96Å; E170-R222 IonicContact OE2-NE 3.02Å; E170-R222 PolarHBondContact OE2-NE 3.37Å; E170-R222 IonicContact OE2-NH2 3.16Å; Y191-R222 VanDerWaalsContact CZ-NH1 3.28Å; Y191-R222 PolarHBondContact OH-NH1 2.76Å; Y191-R222 PolarHBondContact OH-NH2 3.08Å; D206-R222 HydrophobicContact CB-CG 4.01Å; D206-R222 WeakPolarHBondContact OD2-CD 3.3Å; D206-R222 IonicContact OD2-CZ 3.84Å; D206-R222 IonicContact OD2-NH1 2.94Å; D206-R222 PolarHBondContact OD2-NH1 3.17Å; V207-R222 WeakPolarHBondContact O-CA 3.42Å; V208-R222 HydrophobicContact CG2-CB 4.42Å; V208-R222 HydrophobicContact CG2-CG 4.38Å; E220-R222 PolarHBondContact O-N 3.34Å; E220-R222 VanDerWaalsContact O-N 3.17Å
223	I	88.8	Confident	69	Low	16 Å²	16	96 Å²	96	8%	0.082	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.9	179.3	-61	172.1	0	0	0	108	D206 V207 R221 P263 L266	D206-I223 CarbonylContact C-O 3.13Å; D206-I223 WeakPolarHBondContact CA-O 3.48Å; V207-I223 PolarHBondContact N-O 2.78Å; V207-I223 PolarHBondContact O-N 2.93Å; R221-I223 HydrophobicContact CG-CG1 4.26Å; I223-P263 WeakPolarHBondContact CD1-O 3.43Å; I223-L266 HydrophobicContact CD1-CD2 3.94Å
224	E	90.4	Very high	70.9	Confident	99 Å²	99	91.5 Å²	91.5	46%	0.463	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.5	173.6	-60.1	-165.5	146.1	0	0	110.2	K171 Q234	K171-E224 IonicContact NZ-OE1 2.65Å; K171-E224 PolarHBondContact NZ-OE1 2.96Å; E224-Q234 HydrophobicContact CB-CG 4.2Å
225	I	92.3	Very high	73.3	Confident	2 Å²	2	89.5 Å²	89.5	1%	0.01	46%	0.459	C	S	.	.			trans	-88	129.2	174.7	-59.7	177.5	0	0	0	109.6	Y205 V207 L237 I240 I249 F251 L260	Y205-I225 WeakPolarHBondContact O-CB 3.13Å; Y205-I225 PolarHBondContact O-N 3.33Å; V207-I225 HydrophobicContact CG2-CD1 3.49Å; V207-I225 VanDerWaalsContact CG2-CD1 3.49Å; V207-I225 HydrophobicContact CG2-CG1 3.75Å; I225-L237 HydrophobicContact CB-CD1 4.21Å; I225-L237 HydrophobicContact CG2-CD1 3.63Å; I225-I240 HydrophobicContact CD1-CD1 3.12Å; I225-I249 HydrophobicContact CD1-CD1 4.12Å; I225-F251 HydrophobicContact CG2-CD1 4.21Å; I225-F251 HydrophobicContact CG2-CE1 4.27Å; I225-F251 HydrophobicContact CG2-CG 4.33Å; I225-F251 HydrophobicContact CG2-CZ 4.41Å; I225-L260 HydrophobicContact CG1-CD2 4.4Å
226	G	90.2	Very high	75.7	Confident	4 Å²	4	81.7 Å²	81.7	4%	0.041	43%	0.425	C	S	.	.			trans	-144.6	175.3	173.8	0	0	0	0	0	112.1	D228 F251 I271	G226-D228 VanDerWaalsContact C-N 3.28Å; G226-F251 VanDerWaalsContact O-CZ 3.32Å; G226-F251 WeakPolarHBondContact O-CZ 3.39Å; G226-I271 WeakPolarHBondContact O-CD1 3.49Å
227	V	87.8	Confident	78.1	Confident	50 Å²	50	73.5 Å²	73.5	30%	0.303	39%	0.394	S	S	.	.	S	Bend	trans	-75.1	-18.9	177.6	-67.6	0	0	0	0	113.1	F251 A253 I271	V227-F251 HydrophobicContact CG1-CE2 4.15Å; V227-A253 HydrophobicContact CG1-CB 3.49Å; V227-A253 VanDerWaalsContact CG1-CB 3.49Å; V227-I271 WeakPolarHBondContact O-CG2 3.42Å
228	D	84.2	Confident	80.5	Confident	65 Å²	65	67 Å²	67	35%	0.348	35%	0.353	S	S	.	.	S	Bend	trans	-152	169.8	172.7	64.2	53.1	0	0	0	109.3	G226 Q230 T231	G226-D228 VanDerWaalsContact C-N 3.28Å; D228-Q230 PolarHBondContact OD1-N 3.47Å; D228-T231 PolarHBondContact O-OG1 3.46Å; D228-T231 WeakPolarHBondContact OD1-CB 3.49Å; D228-T231 WeakPolarHBondContact OD1-CG2 3.41Å; D228-T231 PolarHBondContact OD1-N 3.1Å; D228-T231 PolarHBondContact OD1-OG1 3.1Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.43Å
229	D	78.1	Confident	82.8	Confident	111 Å²	111	65.8 Å²	65.8	59%	0.594	34%	0.339	S	S	*	.	S	Bend	trans	-92	1.8	179	-71.7	-27.9	0	0	0	114	R269	D229-R269 IonicContact OD1-CZ 3.97Å; D229-R269 IonicContact OD1-NH1 2.77Å; D229-R269 PolarHBondContact OD1-NH1 3.34Å; D229-R269 IonicContact OD1-NH2 3.27Å; D229-R269 PolarHBondContact OD1-NH2 3.18Å; D229-R269 VanDerWaalsContact OD1-NH2 3.09Å; D229-R269 IonicContact OD2-CZ 2.92Å; D229-R269 IonicContact OD2-NH1 3.75Å; D229-R269 PolarHBondContact OD2-NH1 3.35Å
230	Q	74.9	Confident	85.1	Confident	182 Å²	182	60 Å²	60	85%	0.85	30%	0.301	S	S	*	.	S	Bend	trans	-103.4	-15.8	-175.6	-62.1	-175.3	5.6	0	0	112.5	D228 T232	D228-Q230 PolarHBondContact OD1-N 3.47Å; Q230-T232 PolarHBondContact O-N 3.26Å
231	T	74.9	Confident	87	Confident	64 Å²	64	59.7 Å²	59.7	39%	0.393	30%	0.299	S	S	.	.			trans	-64.1	125	177.7	40	0	0	0	0	110.2	D228 E233	D228-T231 PolarHBondContact O-OG1 3.46Å; D228-T231 WeakPolarHBondContact OD1-CB 3.49Å; D228-T231 WeakPolarHBondContact OD1-CG2 3.41Å; D228-T231 PolarHBondContact OD1-N 3.1Å; D228-T231 PolarHBondContact OD1-OG1 3.1Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.43Å; T231-E233 VanDerWaalsContact C-N 3.32Å
232	T	76.9	Confident	88.2	Confident	153 Å²	153	54.6 Å²	54.6	94%	0.939	28%	0.28	S	S	*	.	S	Bend	trans	-75.1	-22.7	178	47.6	0	0	0	0	112.8	Q230	Q230-T232 PolarHBondContact O-N 3.26Å
233	E	86.7	Confident	88.7	Confident	141 Å²	141	52.1 Å²	52.1	66%	0.659	27%	0.271	S	S	*	.	S	Bend	trans	-116.5	125	178.9	-172.4	-179.7	-179	0	0	109.8	T231	T231-E233 VanDerWaalsContact C-N 3.32Å
234	Q	91.8	Very high	89	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.065	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-63.2	124	177	-172.8	-177.7	27.7	0	0	111	K204 Y205 D206 E224	K204-Q234 HydrophobicContact CB-CG 4.36Å; K204-Q234 HydrophobicContact CD-CB 4.27Å; K204-Q234 HydrophobicContact CD-CG 4.36Å; K204-Q234 HydrophobicContact CG-CG 4.21Å; Y205-Q234 PolarHBondContact O-NE2 2.94Å; D206-Q234 PolarHBondContact OD1-NE2 2.86Å; E224-Q234 HydrophobicContact CB-CG 4.2Å
235	P	92.3	Very high	89.2	Confident	34 Å²	34	54 Å²	54	22%	0.221	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-74.7	153.7	-179	31.3	-35.4	0	0	0	112	L237	P235-L237 HydrophobicContact CB-CD2 4.43Å; P235-L237 HydrophobicContact CG-CD2 4.03Å
236	F	92.2	Very high	89.3	Confident	51 Å²	51	54.2 Å²	54.2	22%	0.224	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-80.8	124.6	167.4	-68	-91.5	0	0	0	110	D192 K194 K202 K204	D192-F236 HydrophobicContact CB-CE1 3.8Å; D192-F236 HydrophobicContact CB-CZ 4.28Å; D192-F236 WeakPolarHBondContact O-CE1 3.39Å; K194-F236 HydrophobicContact CB-CD1 3.38Å; K194-F236 HydrophobicContact CB-CD2 4.26Å; K194-F236 HydrophobicContact CB-CE1 3.4Å; K194-F236 VanDerWaalsContact CB-CE1 3.4Å; K194-F236 HydrophobicContact CB-CE2 4.28Å; K194-F236 HydrophobicContact CB-CG 3.82Å; K194-F236 HydrophobicContact CB-CZ 3.86Å; K194-F236 HydrophobicContact CD-CB 4.47Å; K194-F236 HydrophobicContact CD-CD1 4.22Å; K194-F236 HydrophobicContact CD-CD2 3.52Å; K194-F236 HydrophobicContact CD-CE1 4.32Å; K194-F236 HydrophobicContact CD-CE2 3.65Å; K194-F236 HydrophobicContact CD-CG 3.82Å; K194-F236 HydrophobicContact CD-CZ 4.04Å; K194-F236 HydrophobicContact CG-CD1 4.43Å; K194-F236 HydrophobicContact CG-CE1 4.48Å; K194-F236 HydrophobicContact CG-CG 4.44Å; K202-F236 HydrophobicContact CB-CB 3.7Å; K204-F236 HydrophobicContact CD-CZ 4.5Å; K204-F236 HydrophobicContact CG-CD1 4.09Å; K204-F236 HydrophobicContact CG-CE1 4.09Å; K204-F236 HydrophobicContact CG-CG 4.45Å; K204-F236 HydrophobicContact CG-CZ 4.45Å
237	L	94.4	Very high	89.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-100.4	144.1	-178.1	-47.7	-178.5	0	0	0	110.7	K202 S203 Y205 I225 P235 F251 A253	K202-L237 VanDerWaalsContact CA-O 3.25Å; K202-L237 WeakPolarHBondContact CA-O 3.45Å; S203-L237 PolarHBondContact N-O 3.1Å; S203-L237 VanDerWaalsContact N-O 3.11Å; S203-L237 PolarHBondContact O-N 3.12Å; Y205-L237 HydrophobicContact CD2-CB 3.88Å; Y205-L237 HydrophobicContact CD2-CD1 3.82Å; Y205-L237 HydrophobicContact CD2-CG 4.05Å; Y205-L237 HydrophobicContact CE2-CB 3.89Å; I225-L237 HydrophobicContact CB-CD1 4.21Å; I225-L237 HydrophobicContact CG2-CD1 3.63Å; P235-L237 HydrophobicContact CB-CD2 4.43Å; P235-L237 HydrophobicContact CG-CD2 4.03Å; L237-F251 HydrophobicContact CD1-CB 4.14Å; L237-F251 HydrophobicContact CD1-CD2 3.85Å; L237-F251 HydrophobicContact CD1-CG 4.18Å; L237-F251 HydrophobicContact CD2-CD2 3.94Å; L237-F251 HydrophobicContact CD2-CE2 4.23Å; L237-F251 HydrophobicContact CG-CD2 4.47Å; L237-A253 HydrophobicContact CD2-CB 3.89Å
238	D	91.2	Very high	89.7	Confident	16 Å²	16	55.3 Å²	55.3	9%	0.086	29%	0.287	C	S	.	.	S	Bend	trans	-77.8	-33	-179.1	-56.2	-63.2	0	0	0	111.8	K202 V252 Q254 K255 V287 N300	K202-D238 WeakPolarHBondContact CD-OD1 3.26Å; K202-D238 WeakPolarHBondContact CE-OD1 3.31Å; K202-D238 IonicContact NZ-OD1 2.73Å; K202-D238 PolarHBondContact NZ-OD1 2.62Å; D238-V252 HydrophobicContact CB-CB 4.29Å; D238-V252 HydrophobicContact CB-CG1 4.23Å; D238-V252 PolarHBondContact N-O 2.97Å; D238-Q254 PolarHBondContact OD2-N 2.49Å; D238-Q254 VanDerWaalsContact OD2-N 3.1Å; D238-K255 PolarHBondContact OD2-N 2.92Å; D238-V287 HydrophobicContact CB-CG2 4.12Å; D238-N300 PolarHBondContact O-ND2 2.94Å
239	L	93.4	Very high	90.3	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	151.7	-176.7	178.8	70.4	0	0	0	110.3	F251 V252 G286 E301 L303	L239-F251 CarbonylContact O-C 3.58Å; L239-F251 VanDerWaalsContact O-CA 3.25Å; L239-F251 WeakPolarHBondContact O-CA 3.29Å; L239-F251 WeakPolarHBondContact O-CB 3.28Å; L239-V252 HydrophobicContact CB-CB 4.08Å; L239-V252 HydrophobicContact CB-CG2 4.05Å; L239-V252 HydrophobicContact CD2-CG2 4.1Å; L239-V252 PolarHBondContact O-N 2.9Å; L239-G286 VanDerWaalsContact CD2-O 3.25Å; L239-G286 WeakPolarHBondContact CD2-O 3.43Å; L239-E301 HydrophobicContact CD1-CB 4.02Å; L239-E301 HydrophobicContact CD1-CG 4.23Å; L239-E301 HydrophobicContact CD2-CB 4.36Å; L239-E301 HydrophobicContact CD2-CG 4.06Å; L239-L303 HydrophobicContact CD2-CD2 3.65Å; L239-L303 HydrophobicContact CD2-CG 3.89Å
240	I	95.3	Very high	91.2	Very high	7 Å²	7	47 Å²	47	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	141.2	172.3	-170	165	0	0	0	111.7	F179 I188 Y205 I225 I249 A250 F251	F179-I240 HydrophobicContact CD2-CG2 4.18Å; F179-I240 HydrophobicContact CE2-CG2 3.91Å; I188-I240 HydrophobicContact CD1-CD1 3.76Å; I188-I240 HydrophobicContact CD1-CG1 3.91Å; I188-I240 HydrophobicContact CG1-CD1 4.32Å; I188-I240 HydrophobicContact CG2-CD1 3.89Å; I188-I240 HydrophobicContact CG2-CG2 4.3Å; Y205-I240 HydrophobicContact CD1-CG2 3.67Å; Y205-I240 HydrophobicContact CD2-CB 4.49Å; Y205-I240 HydrophobicContact CD2-CG2 4.21Å; Y205-I240 HydrophobicContact CE1-CG2 3.47Å; Y205-I240 VanDerWaalsContact CE1-CG2 3.47Å; Y205-I240 HydrophobicContact CE2-CB 4.48Å; Y205-I240 HydrophobicContact CE2-CG2 4.04Å; Y205-I240 HydrophobicContact CG-CD1 4.12Å; Y205-I240 HydrophobicContact CG-CG2 4.01Å; I225-I240 HydrophobicContact CD1-CD1 3.12Å; I240-I249 HydrophobicContact CD1-CG2 3.75Å; I240-I249 HydrophobicContact CG1-CG2 3.5Å; I240-A250 CarbonylContact C-O 3.56Å; I240-A250 WeakPolarHBondContact CA-O 3.29Å; I240-F251 HydrophobicContact CB-CB 4.33Å; I240-F251 HydrophobicContact CG1-CB 4.12Å
241	K	95.4	Very high	92.3	Very high	59 Å²	59	38.3 Å²	38.3	26%	0.257	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	134.8	-178.7	-167	166.5	-173.5	155.5	0	112.6	A250 E301 L303	K241-A250 PolarHBondContact N-O 2.9Å; K241-A250 PolarHBondContact O-N 3.18Å; K241-E301 WeakPolarHBondContact CD-OE2 3.2Å; K241-E301 IonicContact NZ-OE1 2.77Å; K241-E301 PolarHBondContact NZ-OE1 3.15Å; K241-E301 IonicContact NZ-OE2 2.7Å; K241-E301 PolarHBondContact NZ-OE2 2.85Å; K241-L303 HydrophobicContact CB-CD1 4.24Å; K241-L303 HydrophobicContact CD-CD1 3.84Å
242	W	96.6	Very high	93.2	Very high	18 Å²	18	35.2 Å²	35.2	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.1	171.1	-75.3	111.5	0	0	0	112	F179 A181 A186 I188 V207 I249 P263 W305	F179-W242 PolarHBondContact O-NE1 2.87Å; A181-W242 HydrophobicContact CB-CD2 3.9Å; A181-W242 HydrophobicContact CB-CE3 4.21Å; A181-W242 HydrophobicContact CB-CG 4.35Å; A181-W242 HydrophobicContact CB-CH2 4.29Å; A181-W242 HydrophobicContact CB-CZ2 3.98Å; A181-W242 HydrophobicContact CB-CZ3 4.38Å; A186-W242 HydrophobicContact CB-CH2 3.87Å; A186-W242 HydrophobicContact CB-CZ2 3.94Å; I188-W242 HydrophobicContact CD1-CD2 3.96Å; I188-W242 VanDerWaalsContact CD1-CE2 3.4Å; I188-W242 HydrophobicContact CD1-CG 4.14Å; I188-W242 HydrophobicContact CD1-CZ2 3.85Å; I188-W242 VanDerWaalsContact CD1-NE1 3.26Å; I188-W242 HydrophobicContact CG1-CZ2 3.6Å; V207-W242 HydrophobicContact CG1-CH2 3.95Å; V207-W242 HydrophobicContact CG1-CZ2 4.16Å; W242-I249 HydrophobicContact CD2-CG1 4.06Å; W242-I249 HydrophobicContact CE3-CD1 4.09Å; W242-I249 HydrophobicContact CE3-CG1 3.46Å; W242-I249 VanDerWaalsContact CE3-CG1 3.46Å; W242-I249 HydrophobicContact CH2-CD1 3.64Å; W242-I249 HydrophobicContact CH2-CG1 3.97Å; W242-I249 HydrophobicContact CZ2-CD1 4.12Å; W242-I249 HydrophobicContact CZ3-CD1 3.64Å; W242-I249 HydrophobicContact CZ3-CG1 3.43Å; W242-I249 VanDerWaalsContact CZ3-CG1 3.43Å; W242-P263 HydrophobicContact CH2-CG 4.05Å; W242-P263 HydrophobicContact CZ3-CG 3.72Å; W242-W305 PolarHBondContact O-NE1 3.02Å
243	S	96.2	Very high	94	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.14	C	C	.	.			trans	-68.9	151.1	160.7	77.3	0	0	0	0	109.8	K245 S246 N247 C248	S243-K245 PolarHBondContact O-N 2.99Å; S243-S246 PolarHBondContact O-N 3.17Å; S243-S246 PolarHBondContact OG-N 3.08Å; S243-N247 PolarHBondContact OG-N 2.82Å; S243-N247 PolarHBondContact OG-OD1 3.43Å; S243-C248 VanDerWaalsContact CB-O 3.29Å; S243-C248 WeakPolarHBondContact CB-O 3.49Å; S243-C248 PolarHBondContact N-O 2.82Å; S243-C248 PolarHBondContact OG-N 3.26Å; S243-C248 PolarHBondContact OG-O 3.44Å
244	P	94.9	Very high	94.1	Very high	47 Å²	47	29.1 Å²	29.1	31%	0.305	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.5	177	-30.6	39.8	0	0	0	114.7	P182 W305 S306 D307	P182-P244 WeakPolarHBondContact CB-O 3.26Å; P244-W305 HydrophobicContact CG-CB 3.73Å; P244-W305 HydrophobicContact CG-CG 4.33Å; P244-S306 WeakPolarHBondContact CG-O 2.99Å; P244-D307 WeakPolarHBondContact CB-O 3.41Å
245	K	93.7	Very high	94.1	Very high	107 Å²	107	32.2 Å²	32.2	47%	0.465	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.5	177.8	-74.9	174.3	169.9	149.2	0	113.8	S243 N247 S308 N310	S243-K245 PolarHBondContact O-N 2.99Å; K245-N247 WeakPolarHBondContact CB-OD1 3.32Å; K245-N247 PolarHBondContact O-N 3.22Å; K245-S308 VanDerWaalsContact CD-O 3.24Å; K245-S308 WeakPolarHBondContact CD-O 3.43Å; K245-S308 WeakPolarHBondContact CE-O 3.25Å; K245-S308 PolarHBondContact NZ-O 2.85Å; K245-N310 PolarHBondContact NZ-OD1 3.08Å
246	S	93.4	Very high	94.2	Very high	8 Å²	8	31.5 Å²	31.5	6%	0.056	15%	0.152	C	C	.	.	S	Bend	trans	58.1	0.8	-176	-58.5	0	0	0	0	116.6	P182 D183 S243	P182-S246 VanDerWaalsContact CD-OG 3.31Å; P182-S246 WeakPolarHBondContact CD-OG 3.4Å; D183-S246 PolarHBondContact N-OG 2.97Å; D183-S246 VanDerWaalsContact N-OG 3.15Å; D183-S246 WeakPolarHBondContact OD1-CB 3.26Å; D183-S246 PolarHBondContact OD1-OG 3.45Å; D183-S246 WeakPolarHBondContact OD2-CB 2.92Å; S243-S246 PolarHBondContact O-N 3.17Å; S243-S246 PolarHBondContact OG-N 3.08Å
247	N	92.9	Very high	94.4	Very high	76 Å²	76	29 Å²	29	41%	0.406	14%	0.141	S	C	.	.	S	Bend	trans	-90.9	-7.4	-174.6	70.4	-24.5	0	0	0	113.7	S243 K245 N262	S243-N247 PolarHBondContact OG-N 2.82Å; S243-N247 PolarHBondContact OG-OD1 3.43Å; K245-N247 WeakPolarHBondContact CB-OD1 3.32Å; K245-N247 PolarHBondContact O-N 3.22Å; N247-N262 PolarHBondContact O-N 2.91Å
248	C	95.1	Very high	94.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.4	-176.7	-176.7	0	0	0	0	109.9	S243 L260 F261	S243-C248 VanDerWaalsContact CB-O 3.29Å; S243-C248 WeakPolarHBondContact CB-O 3.49Å; S243-C248 PolarHBondContact N-O 2.82Å; S243-C248 PolarHBondContact OG-N 3.26Å; S243-C248 PolarHBondContact OG-O 3.44Å; C248-L260 CarbonylContact C-O 3.45Å; C248-L260 VanDerWaalsContact CA-O 3.26Å; C248-L260 WeakPolarHBondContact CA-O 3.44Å; C248-F261 HydrophobicContact CB-CD1 4.34Å
249	I	96.6	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.9	171.2	-63.6	171.1	0	0	0	107.7	I188 V207 I225 I240 W242 L259 L260 P263	I188-I249 HydrophobicContact CD1-CD1 4.02Å; I188-I249 HydrophobicContact CD1-CG1 4.35Å; I188-I249 HydrophobicContact CD1-CG2 4.33Å; I188-I249 HydrophobicContact CG1-CD1 4.32Å; V207-I249 HydrophobicContact CG2-CD1 3.6Å; I225-I249 HydrophobicContact CD1-CD1 4.12Å; I240-I249 HydrophobicContact CD1-CG2 3.75Å; I240-I249 HydrophobicContact CG1-CG2 3.5Å; W242-I249 HydrophobicContact CD2-CG1 4.06Å; W242-I249 HydrophobicContact CE3-CD1 4.09Å; W242-I249 HydrophobicContact CE3-CG1 3.46Å; W242-I249 VanDerWaalsContact CE3-CG1 3.46Å; W242-I249 HydrophobicContact CH2-CD1 3.64Å; W242-I249 HydrophobicContact CH2-CG1 3.97Å; W242-I249 HydrophobicContact CZ2-CD1 4.12Å; W242-I249 HydrophobicContact CZ3-CD1 3.64Å; W242-I249 HydrophobicContact CZ3-CG1 3.43Å; W242-I249 VanDerWaalsContact CZ3-CG1 3.43Å; I249-L259 WeakPolarHBondContact O-CA 3.18Å; I249-L260 HydrophobicContact CB-CB 4.29Å; I249-L260 HydrophobicContact CD1-CD2 4.33Å; I249-L260 PolarHBondContact N-O 3.45Å; I249-L260 PolarHBondContact O-N 3Å; I249-P263 HydrophobicContact CD1-CB 3.7Å; I249-P263 HydrophobicContact CD1-CG 3.89Å; I249-P263 HydrophobicContact CG1-CB 4.36Å; I249-P263 HydrophobicContact CG1-CG 4.12Å
250	A	97.2	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.5	164.6	0	0	0	0	0	108.9	I240 K241 H258 L259 L303 W305	I240-A250 CarbonylContact C-O 3.56Å; I240-A250 WeakPolarHBondContact CA-O 3.29Å; K241-A250 PolarHBondContact N-O 2.9Å; K241-A250 PolarHBondContact O-N 3.18Å; A250-H258 WeakPolarHBondContact CA-O 3.24Å; A250-L259 HydrophobicContact CB-CD2 3.77Å; A250-L303 HydrophobicContact CB-CD1 4.43Å; A250-W305 HydrophobicContact CB-CZ2 3.82Å
251	F	96.6	Very high	94.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.4	172.6	67.1	-85.9	0	0	0	110.7	I225 G226 V227 L237 L239 I240 A253 H258 L260 I271	I225-F251 HydrophobicContact CG2-CD1 4.21Å; I225-F251 HydrophobicContact CG2-CE1 4.27Å; I225-F251 HydrophobicContact CG2-CG 4.33Å; I225-F251 HydrophobicContact CG2-CZ 4.41Å; G226-F251 VanDerWaalsContact O-CZ 3.32Å; G226-F251 WeakPolarHBondContact O-CZ 3.39Å; V227-F251 HydrophobicContact CG1-CE2 4.15Å; L237-F251 HydrophobicContact CD1-CB 4.14Å; L237-F251 HydrophobicContact CD1-CD2 3.85Å; L237-F251 HydrophobicContact CD1-CG 4.18Å; L237-F251 HydrophobicContact CD2-CD2 3.94Å; L237-F251 HydrophobicContact CD2-CE2 4.23Å; L237-F251 HydrophobicContact CG-CD2 4.47Å; L239-F251 CarbonylContact O-C 3.58Å; L239-F251 VanDerWaalsContact O-CA 3.25Å; L239-F251 WeakPolarHBondContact O-CA 3.29Å; L239-F251 WeakPolarHBondContact O-CB 3.28Å; I240-F251 HydrophobicContact CB-CB 4.33Å; I240-F251 HydrophobicContact CG1-CB 4.12Å; F251-A253 HydrophobicContact CD2-CB 4.35Å; F251-A253 HydrophobicContact CE2-CB 4.29Å; F251-H258 HydrophobicContact CD1-CB 3.97Å; F251-H258 HydrophobicContact CD2-CB 3.95Å; F251-H258 HydrophobicContact CE1-CB 3.48Å; F251-H258 VanDerWaalsContact CE1-CB 3.48Å; F251-H258 HydrophobicContact CE2-CB 3.49Å; F251-H258 VanDerWaalsContact CE2-CB 3.49Å; F251-H258 AromaticContact CE2-CG 3.75Å; F251-H258 HydrophobicContact CG-CB 4.19Å; F251-H258 HydrophobicContact CZ-CB 3.25Å; F251-H258 AromaticContact CZ-CG 3.84Å; F251-H258 PolarHBondContact N-O 2.96Å; F251-H258 PolarHBondContact O-N 2.83Å; F251-L260 HydrophobicContact CD1-CB 4.35Å; F251-L260 HydrophobicContact CE1-CB 3.91Å; F251-I271 HydrophobicContact CE1-CG2 4.46Å; F251-I271 HydrophobicContact CZ-CG2 4.14Å
252	V	95.5	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	178.5	-175.2	0	0	0	0	108.7	D238 L239 N256 I257 V287 L303	D238-V252 HydrophobicContact CB-CB 4.29Å; D238-V252 HydrophobicContact CB-CG1 4.23Å; D238-V252 PolarHBondContact N-O 2.97Å; L239-V252 HydrophobicContact CB-CB 4.08Å; L239-V252 HydrophobicContact CB-CG2 4.05Å; L239-V252 HydrophobicContact CD2-CG2 4.1Å; L239-V252 PolarHBondContact O-N 2.9Å; V252-N256 WeakPolarHBondContact CA-O 3.48Å; V252-I257 HydrophobicContact CG2-CG1 4.23Å; V252-V287 HydrophobicContact CB-CB 4.47Å; V252-V287 HydrophobicContact CG1-CB 4.02Å; V252-V287 HydrophobicContact CG1-CG1 3.8Å; V252-V287 HydrophobicContact CG2-CB 4.48Å; V252-L303 HydrophobicContact CG2-CD2 4.08Å
253	A	92.6	Very high	94.3	Very high	4 Å²	4	30 Å²	30	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.6	176.4	0	0	0	0	0	108.5	V227 L237 F251 K255 N256	V227-A253 HydrophobicContact CG1-CB 3.49Å; V227-A253 VanDerWaalsContact CG1-CB 3.49Å; L237-A253 HydrophobicContact CD2-CB 3.89Å; F251-A253 HydrophobicContact CD2-CB 4.35Å; F251-A253 HydrophobicContact CE2-CB 4.29Å; A253-K255 VanDerWaalsContact C-N 3.26Å; A253-K255 PolarHBondContact O-N 3.45Å; A253-N256 PolarHBondContact N-O 3.11Å; A253-N256 PolarHBondContact O-N 3.4Å
254	Q	88.9	Confident	93.8	Very high	161 Å²	161	31.4 Å²	31.4	75%	0.752	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	47.2	-179.4	-56.3	175.4	2.8	0	0	111.5	D238 N256	D238-Q254 PolarHBondContact OD2-N 2.49Å; D238-Q254 VanDerWaalsContact OD2-N 3.1Å; Q254-N256 PolarHBondContact O-N 2.84Å; Q254-N256 VanDerWaalsContact O-N 3.13Å; Q254-N256 PolarHBondContact O-ND2 2.78Å; Q254-N256 VanDerWaalsContact O-ND2 3.17Å
255	K	91	Very high	93.3	Very high	80 Å²	80	32.2 Å²	32.2	35%	0.348	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	8.9	-179.9	-56.7	-178	166.2	-146	0	116.1	D238 A253 S284 Y285 E319	D238-K255 PolarHBondContact OD2-N 2.92Å; A253-K255 VanDerWaalsContact C-N 3.26Å; A253-K255 PolarHBondContact O-N 3.45Å; K255-S284 WeakPolarHBondContact CD-OG 3.39Å; K255-S284 PolarHBondContact NZ-OG 2.86Å; K255-Y285 PolarHBondContact O-N 3.3Å; K255-E319 IonicContact NZ-OE2 3.17Å; K255-E319 PolarHBondContact NZ-OE2 3.24Å
256	N	95	Very high	92.7	Very high	18 Å²	18	30.7 Å²	30.7	10%	0.096	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.3	178.9	-78.9	-77.8	0	0	0	111.9	V252 A253 Q254 H258 T275 Q280	V252-N256 WeakPolarHBondContact CA-O 3.48Å; A253-N256 PolarHBondContact N-O 3.11Å; A253-N256 PolarHBondContact O-N 3.4Å; Q254-N256 PolarHBondContact O-N 2.84Å; Q254-N256 VanDerWaalsContact O-N 3.13Å; Q254-N256 PolarHBondContact O-ND2 2.78Å; Q254-N256 VanDerWaalsContact O-ND2 3.17Å; N256-H258 PolarHBondContact O-ND1 2.85Å; N256-T275 WeakPolarHBondContact CA-OG1 3.28Å; N256-T275 VanDerWaalsContact CB-OG1 3.3Å; N256-T275 WeakPolarHBondContact CB-OG1 3.27Å; N256-T275 WeakPolarHBondContact OD1-CB 3.13Å; N256-T275 PolarHBondContact OD1-OG1 3.15Å; N256-Q280 VanDerWaalsContact CG-OE1 3.28Å; N256-Q280 PolarHBondContact ND2-OE1 3.43Å; N256-Q280 PolarHBondContact OD1-NE2 2.77Å; N256-Q280 PolarHBondContact OD1-OE1 3.44Å
257	I	96.5	Very high	92.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.8	-177.4	-56.7	172.4	0	0	0	109.6	V252 N273 L274 T275 Y285 V314	V252-I257 HydrophobicContact CG2-CG1 4.23Å; I257-N273 PolarHBondContact O-OD1 3.01Å; I257-L274 HydrophobicContact CB-CB 4.43Å; I257-L274 HydrophobicContact CG2-CD1 3.94Å; I257-L274 HydrophobicContact CG2-CG 4.3Å; I257-L274 PolarHBondContact O-N 3.43Å; I257-T275 HydrophobicContact CB-CG2 4.16Å; I257-T275 HydrophobicContact CD1-CG2 4.35Å; I257-T275 HydrophobicContact CG1-CG2 4.26Å; I257-T275 PolarHBondContact N-OG1 3.07Å; I257-T275 VanDerWaalsContact N-OG1 3.15Å; I257-Y285 WeakPolarHBondContact CG1-O 3.27Å; I257-V314 HydrophobicContact CD1-CB 4.18Å; I257-V314 HydrophobicContact CD1-CG1 3.4Å; I257-V314 VanDerWaalsContact CD1-CG1 3.4Å; I257-V314 HydrophobicContact CD1-CG2 3.63Å
258	H	96.4	Very high	92.1	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.065	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.8	174.7	-59.2	73.1	0	0	0	109.5	A250 F251 N256 I271 V272	A250-H258 WeakPolarHBondContact CA-O 3.24Å; F251-H258 HydrophobicContact CD1-CB 3.97Å; F251-H258 HydrophobicContact CD2-CB 3.95Å; F251-H258 HydrophobicContact CE1-CB 3.48Å; F251-H258 VanDerWaalsContact CE1-CB 3.48Å; F251-H258 HydrophobicContact CE2-CB 3.49Å; F251-H258 VanDerWaalsContact CE2-CB 3.49Å; F251-H258 AromaticContact CE2-CG 3.75Å; F251-H258 HydrophobicContact CG-CB 4.19Å; F251-H258 HydrophobicContact CZ-CB 3.25Å; F251-H258 AromaticContact CZ-CG 3.84Å; F251-H258 PolarHBondContact N-O 2.96Å; F251-H258 PolarHBondContact O-N 2.83Å; N256-H258 PolarHBondContact O-ND1 2.85Å; H258-I271 HydrophobicContact CB-CG2 4.42Å; H258-V272 CarbonylContact C-O 3.59Å; H258-V272 VanDerWaalsContact CA-O 3.29Å; H258-V272 WeakPolarHBondContact CA-O 3.45Å
259	L	96.3	Very high	91.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.2	168.7	-65.1	-171.4	0	0	0	109.6	I249 A250 F261 I271 V272 L274 W305 L312 Y364 M366	I249-L259 WeakPolarHBondContact O-CA 3.18Å; A250-L259 HydrophobicContact CB-CD2 3.77Å; L259-F261 HydrophobicContact CB-CD2 4.25Å; L259-F261 HydrophobicContact CB-CE2 3.66Å; L259-F261 HydrophobicContact CB-CZ 4.07Å; L259-F261 HydrophobicContact CD1-CE2 4.15Å; L259-F261 HydrophobicContact CD1-CZ 3.76Å; L259-I271 CarbonylContact O-C 3.58Å; L259-I271 WeakPolarHBondContact O-CA 3.26Å; L259-V272 PolarHBondContact N-O 2.85Å; L259-V272 PolarHBondContact O-N 2.84Å; L259-L274 HydrophobicContact CB-CD2 4.49Å; L259-L274 HydrophobicContact CD1-CD1 3.83Å; L259-L274 HydrophobicContact CD1-CD2 3.81Å; L259-L274 HydrophobicContact CD1-CG 4.17Å; L259-L274 HydrophobicContact CD2-CD1 4.18Å; L259-L274 HydrophobicContact CG-CD1 3.7Å; L259-L274 HydrophobicContact CG-CD2 3.86Å; L259-L274 HydrophobicContact CG-CG 3.82Å; L259-W305 HydrophobicContact CD1-CH2 4.49Å; L259-W305 HydrophobicContact CD2-CH2 4.04Å; L259-W305 HydrophobicContact CD2-CZ2 3.97Å; L259-L312 HydrophobicContact CD2-CD2 4.45Å; L259-Y364 HydrophobicContact CD1-CE1 4.04Å; L259-M366 HydrophobicContact CD1-CE 3.89Å; L259-M366 HydrophobicContact CD1-SD 3.58Å; L259-M366 VanDerWaalsContact CD1-SD 3.58Å
260	L	95.4	Very high	91.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	105	170	168.8	59.3	0	0	0	109.2	I225 C248 I249 F251 P263 R269 I271	I225-L260 HydrophobicContact CG1-CD2 4.4Å; C248-L260 CarbonylContact C-O 3.45Å; C248-L260 VanDerWaalsContact CA-O 3.26Å; C248-L260 WeakPolarHBondContact CA-O 3.44Å; I249-L260 HydrophobicContact CB-CB 4.29Å; I249-L260 HydrophobicContact CD1-CD2 4.33Å; I249-L260 PolarHBondContact N-O 3.45Å; I249-L260 PolarHBondContact O-N 3Å; F251-L260 HydrophobicContact CD1-CB 4.35Å; F251-L260 HydrophobicContact CE1-CB 3.91Å; L260-P263 HydrophobicContact CD2-CB 3.86Å; L260-P263 HydrophobicContact CG-CB 4.01Å; L260-R269 HydrophobicContact CD1-CG 3.49Å; L260-R269 VanDerWaalsContact CD1-CG 3.49Å; L260-R269 VanDerWaalsContact CD1-CZ 3.48Å; L260-I271 HydrophobicContact CD1-CG1 3.74Å
261	F	94.5	Very high	91.5	Very high	47 Å²	47	47.1 Å²	47.1	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.2	175.4	-64.9	-88	0	0	0	111.1	C248 L259 R269 K270 V272 M366	C248-F261 HydrophobicContact CB-CD1 4.34Å; L259-F261 HydrophobicContact CB-CD2 4.25Å; L259-F261 HydrophobicContact CB-CE2 3.66Å; L259-F261 HydrophobicContact CB-CZ 4.07Å; L259-F261 HydrophobicContact CD1-CE2 4.15Å; L259-F261 HydrophobicContact CD1-CZ 3.76Å; F261-R269 WeakPolarHBondContact O-CA 3.43Å; F261-K270 HydrophobicContact CB-CB 4.41Å; F261-K270 PolarHBondContact N-O 2.82Å; F261-K270 PolarHBondContact O-N 3.33Å; F261-K270 VanDerWaalsContact O-N 3.16Å; F261-V272 HydrophobicContact CD2-CG2 4.14Å; F261-V272 HydrophobicContact CE2-CB 4.25Å; F261-V272 HydrophobicContact CE2-CG2 3.83Å; F261-M366 HydrophobicContact CE1-CE 3.58Å; F261-M366 HydrophobicContact CZ-CE 3.85Å
262	N	91.9	Very high	91.4	Very high	61 Å²	61	48.9 Å²	48.9	33%	0.326	24%	0.242	S	C	.	.	S	Bend	trans	51.9	56	178.6	-50.6	-59.1	0	0	0	112.7	N247 L264 D265 I268	N247-N262 PolarHBondContact O-N 2.91Å; N262-L264 PolarHBondContact O-N 3.27Å; N262-D265 PolarHBondContact O-N 3.14Å; N262-D265 VanDerWaalsContact O-N 3.08Å; N262-I268 HydrophobicContact CB-CD1 4.09Å; N262-I268 HydrophobicContact CB-CG1 3.92Å; N262-I268 PolarHBondContact ND2-O 2.95Å
263	P	90.1	Very high	91.4	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.019	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.9	-170.6	21.7	-33.2	0	0	0	114.5	I223 W242 I249 L260	I223-P263 WeakPolarHBondContact CD1-O 3.43Å; W242-P263 HydrophobicContact CH2-CG 4.05Å; W242-P263 HydrophobicContact CZ3-CG 3.72Å; I249-P263 HydrophobicContact CD1-CB 3.7Å; I249-P263 HydrophobicContact CD1-CG 3.89Å; I249-P263 HydrophobicContact CG1-CB 4.36Å; I249-P263 HydrophobicContact CG1-CG 4.12Å; L260-P263 HydrophobicContact CD2-CB 3.86Å; L260-P263 HydrophobicContact CG-CB 4.01Å
264	L	85	Confident	91.4	Very high	31 Å²	31	51.6 Å²	51.6	16%	0.162	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-12.6	-176.7	-56.4	177.1	0	0	0	114.7	A186 V207 R209 N262	A186-L264 HydrophobicContact CB-CD1 3.92Å; A186-L264 HydrophobicContact CB-CD2 3.88Å; A186-L264 HydrophobicContact CB-CG 4.36Å; V207-L264 HydrophobicContact CG1-CD2 3.59Å; R209-L264 HydrophobicContact CB-CD2 4.12Å; R209-L264 HydrophobicContact CG-CD1 4.34Å; N262-L264 PolarHBondContact O-N 3.27Å
265	D	85.1	Confident	91.7	Very high	64 Å²	64	44 Å²	44	34%	0.342	22%	0.22	S	C	.	.			trans	-116	93.9	-176.2	-171.5	-13	0	0	0	111.2	N262 N267 I268 R269	N262-D265 PolarHBondContact O-N 3.14Å; N262-D265 VanDerWaalsContact O-N 3.08Å; D265-N267 PolarHBondContact O-N 3.48Å; D265-N267 WeakPolarHBondContact OD1-CB 3.25Å; D265-N267 PolarHBondContact OD1-N 3.05Å; D265-I268 HydrophobicContact CB-CD1 4.33Å; D265-I268 HydrophobicContact CB-CG1 3.83Å; D265-I268 PolarHBondContact O-N 2.82Å; D265-I268 VanDerWaalsContact O-N 3.15Å; D265-R269 WeakPolarHBondContact O-CA 3.49Å; D265-R269 VanDerWaalsContact O-CB 3.27Å; D265-R269 WeakPolarHBondContact O-CB 3.09Å; D265-R269 PolarHBondContact O-N 2.76Å
266	L	80.2	Confident	91.6	Very high	76 Å²	76	47.4 Å²	47.4	40%	0.398	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.6	-178.2	-62.8	-165.1	0	0	0	114.5	I223	I223-L266 HydrophobicContact CD1-CD2 3.94Å
267	N	85.4	Confident	91.2	Very high	153 Å²	153	52.2 Å²	52.2	82%	0.818	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-28.7	-179.7	-61.8	-40.2	0	0	0	112.6	D265	D265-N267 PolarHBondContact O-N 3.48Å; D265-N267 WeakPolarHBondContact OD1-CB 3.25Å; D265-N267 PolarHBondContact OD1-N 3.05Å
268	I	89.4	Confident	91	Very high	94 Å²	94	53.3 Å²	53.3	48%	0.482	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	5	-177.7	62	169.4	0	0	0	112.8	N262 D265	N262-I268 HydrophobicContact CB-CD1 4.09Å; N262-I268 HydrophobicContact CB-CG1 3.92Å; N262-I268 PolarHBondContact ND2-O 2.95Å; D265-I268 HydrophobicContact CB-CD1 4.33Å; D265-I268 HydrophobicContact CB-CG1 3.83Å; D265-I268 PolarHBondContact O-N 2.82Å; D265-I268 VanDerWaalsContact O-N 3.15Å
269	R	89.1	Confident	90.6	Very high	23 Å²	23	57 Å²	57	9%	0.087	30%	0.303	C	S	.	.			trans	-57.9	135.2	175.9	-171.6	175.5	172.8	-76	16	109.4	D229 L260 F261 D265	D229-R269 IonicContact OD1-CZ 3.97Å; D229-R269 IonicContact OD1-NH1 2.77Å; D229-R269 PolarHBondContact OD1-NH1 3.34Å; D229-R269 IonicContact OD1-NH2 3.27Å; D229-R269 PolarHBondContact OD1-NH2 3.18Å; D229-R269 VanDerWaalsContact OD1-NH2 3.09Å; D229-R269 IonicContact OD2-CZ 2.92Å; D229-R269 IonicContact OD2-NH1 3.75Å; D229-R269 PolarHBondContact OD2-NH1 3.35Å; L260-R269 HydrophobicContact CD1-CG 3.49Å; L260-R269 VanDerWaalsContact CD1-CG 3.49Å; L260-R269 VanDerWaalsContact CD1-CZ 3.48Å; F261-R269 WeakPolarHBondContact O-CA 3.43Å; D265-R269 WeakPolarHBondContact O-CA 3.49Å; D265-R269 VanDerWaalsContact O-CB 3.27Å; D265-R269 WeakPolarHBondContact O-CB 3.09Å; D265-R269 PolarHBondContact O-N 2.76Å
270	K	92.9	Very high	89.9	Confident	124 Å²	124	61.1 Å²	61.1	54%	0.539	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	129.9	-179.6	-175.2	-177.4	-179.9	-173.9	0	110.6	F261 V272	F261-K270 HydrophobicContact CB-CB 4.41Å; F261-K270 PolarHBondContact N-O 2.82Å; F261-K270 PolarHBondContact O-N 3.33Å; F261-K270 VanDerWaalsContact O-N 3.16Å; K270-V272 HydrophobicContact CD-CG2 4.12Å; K270-V272 HydrophobicContact CG-CG2 4.12Å
271	I	94.3	Very high	89.4	Confident	36 Å²	36	65 Å²	65	19%	0.185	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.1	171.3	-59.2	161.8	0	0	0	108.6	G226 V227 F251 H258 L259 L260	G226-I271 WeakPolarHBondContact O-CD1 3.49Å; V227-I271 WeakPolarHBondContact O-CG2 3.42Å; F251-I271 HydrophobicContact CE1-CG2 4.46Å; F251-I271 HydrophobicContact CZ-CG2 4.14Å; H258-I271 HydrophobicContact CB-CG2 4.42Å; L259-I271 CarbonylContact O-C 3.58Å; L259-I271 WeakPolarHBondContact O-CA 3.26Å; L260-I271 HydrophobicContact CD1-CG1 3.74Å
272	V	94.1	Very high	89	Confident	36 Å²	36	66.8 Å²	66.8	22%	0.218	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.8	176.1	-176.5	0	0	0	0	108.9	H258 L259 F261 K270 L274	H258-V272 CarbonylContact C-O 3.59Å; H258-V272 VanDerWaalsContact CA-O 3.29Å; H258-V272 WeakPolarHBondContact CA-O 3.45Å; L259-V272 PolarHBondContact N-O 2.85Å; L259-V272 PolarHBondContact O-N 2.84Å; F261-V272 HydrophobicContact CD2-CG2 4.14Å; F261-V272 HydrophobicContact CE2-CB 4.25Å; F261-V272 HydrophobicContact CE2-CG2 3.83Å; K270-V272 HydrophobicContact CD-CG2 4.12Å; K270-V272 HydrophobicContact CG-CG2 4.12Å; V272-L274 HydrophobicContact CG1-CD2 4.06Å; V272-L274 PolarHBondContact O-N 3.09Å
273	N	94.4	Very high	89.1	Confident	50 Å²	50	65 Å²	65	27%	0.267	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	109.9	169.1	-177.9	-19.7	0	0	0	108.9	I257 T275 Q276	I257-N273 PolarHBondContact O-OD1 3.01Å; N273-T275 VanDerWaalsContact C-N 3.34Å; N273-T275 PolarHBondContact OD1-N 3.49Å; N273-T275 PolarHBondContact OD1-OG1 3.02Å; N273-Q276 HydrophobicContact CB-CB 4.2Å; N273-Q276 PolarHBondContact OD1-N 3.28Å; N273-Q276 VanDerWaalsContact OD1-N 3.09Å
274	L	94.1	Very high	89.3	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.063	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.4	-176.3	-61.6	-165.6	0	0	0	112.6	I257 L259 V272 L312 Y364 F371	I257-L274 HydrophobicContact CB-CB 4.43Å; I257-L274 HydrophobicContact CG2-CD1 3.94Å; I257-L274 HydrophobicContact CG2-CG 4.3Å; I257-L274 PolarHBondContact O-N 3.43Å; L259-L274 HydrophobicContact CB-CD2 4.49Å; L259-L274 HydrophobicContact CD1-CD1 3.83Å; L259-L274 HydrophobicContact CD1-CD2 3.81Å; L259-L274 HydrophobicContact CD1-CG 4.17Å; L259-L274 HydrophobicContact CD2-CD1 4.18Å; L259-L274 HydrophobicContact CG-CD1 3.7Å; L259-L274 HydrophobicContact CG-CD2 3.86Å; L259-L274 HydrophobicContact CG-CG 3.82Å; V272-L274 HydrophobicContact CG1-CD2 4.06Å; V272-L274 PolarHBondContact O-N 3.09Å; L274-L312 HydrophobicContact CD1-CD2 4.42Å; L274-Y364 HydrophobicContact CD1-CD1 3.94Å; L274-Y364 HydrophobicContact CD1-CD2 4.11Å; L274-Y364 HydrophobicContact CD1-CE1 3.94Å; L274-Y364 HydrophobicContact CD1-CE2 4.12Å; L274-Y364 HydrophobicContact CD1-CG 4.01Å; L274-Y364 HydrophobicContact CD2-CE1 3.99Å; L274-Y364 HydrophobicContact CD2-CE2 3.86Å; L274-Y364 VanDerWaalsContact CD2-CZ 3.47Å; L274-Y364 WeakPolarHBondContact CD2-OH 3.48Å; L274-Y364 HydrophobicContact CG-CE2 4.42Å; L274-F371 HydrophobicContact CB-CE2 3.88Å; L274-F371 HydrophobicContact CB-CZ 4.12Å; L274-F371 HydrophobicContact CD1-CZ 4.28Å
275	T	93.5	Very high	89.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.4	-170.9	50.7	0	0	0	0	112.4	N256 I257 N273 S277 M278 Q280 Y285 F371	N256-T275 WeakPolarHBondContact CA-OG1 3.28Å; N256-T275 VanDerWaalsContact CB-OG1 3.3Å; N256-T275 WeakPolarHBondContact CB-OG1 3.27Å; N256-T275 WeakPolarHBondContact OD1-CB 3.13Å; N256-T275 PolarHBondContact OD1-OG1 3.15Å; I257-T275 HydrophobicContact CB-CG2 4.16Å; I257-T275 HydrophobicContact CD1-CG2 4.35Å; I257-T275 HydrophobicContact CG1-CG2 4.26Å; I257-T275 PolarHBondContact N-OG1 3.07Å; I257-T275 VanDerWaalsContact N-OG1 3.15Å; N273-T275 VanDerWaalsContact C-N 3.34Å; N273-T275 PolarHBondContact OD1-N 3.49Å; N273-T275 PolarHBondContact OD1-OG1 3.02Å; T275-S277 VanDerWaalsContact C-N 3.25Å; T275-S277 PolarHBondContact O-N 3.4Å; T275-S277 VanDerWaalsContact O-N 3.16Å; T275-M278 HydrophobicContact CG2-SD 3.9Å; T275-M278 WeakPolarHBondContact O-CB 3.25Å; T275-M278 PolarHBondContact O-N 3.29Å; T275-Q280 PolarHBondContact O-NE2 3.47Å; T275-Y285 HydrophobicContact CG2-CD1 4.14Å; T275-Y285 HydrophobicContact CG2-CD2 3.92Å; T275-Y285 HydrophobicContact CG2-CG 3.68Å; T275-F371 HydrophobicContact CG2-CE2 4.29Å; T275-F371 HydrophobicContact CG2-CZ 4.39Å
276	Q	89.9	Confident	90.3	Very high	152 Å²	152	60.5 Å²	60.5	71%	0.71	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.1	-177.7	-172.1	178.8	24	0	0	113.6	N273	N273-Q276 HydrophobicContact CB-CB 4.2Å; N273-Q276 PolarHBondContact OD1-N 3.28Å; N273-Q276 VanDerWaalsContact OD1-N 3.09Å
277	S	86.9	Confident	91	Very high	119 Å²	119	57.5 Å²	57.5	83%	0.832	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.5	179.7	58.6	0	0	0	0	114	T275	T275-S277 VanDerWaalsContact C-N 3.25Å; T275-S277 PolarHBondContact O-N 3.4Å; T275-S277 VanDerWaalsContact O-N 3.16Å
278	M	91.6	Very high	91.3	Very high	23 Å²	23	50.6 Å²	50.6	11%	0.113	27%	0.273	C	S	.	.	S	Bend	trans	-91.8	156.9	-178.5	-59.6	-174.6	73.6	0	0	111.3	T275 Q280 Y285 Y362 F371	T275-M278 HydrophobicContact CG2-SD 3.9Å; T275-M278 WeakPolarHBondContact O-CB 3.25Å; T275-M278 PolarHBondContact O-N 3.29Å; M278-Q280 PolarHBondContact O-N 3.02Å; M278-Q280 PolarHBondContact O-NE2 3.21Å; M278-Y285 HydrophobicContact CB-CE1 4.48Å; M278-Y285 HydrophobicContact CB-CE2 4.35Å; M278-Y285 HydrophobicContact CE-CD1 4.29Å; M278-Y285 HydrophobicContact CE-CE1 3.57Å; M278-Y285 HydrophobicContact SD-CD1 4.48Å; M278-Y285 HydrophobicContact SD-CE1 4.09Å; M278-Y362 HydrophobicContact CE-CD1 4.14Å; M278-Y362 HydrophobicContact CE-CD2 4.3Å; M278-Y362 HydrophobicContact CE-CE1 3.81Å; M278-Y362 HydrophobicContact CE-CE2 3.98Å; M278-Y362 HydrophobicContact CE-CG 4.37Å; M278-F371 HydrophobicContact SD-CD2 3.62Å; M278-F371 HydrophobicContact SD-CE2 3.7Å; M278-F371 HydrophobicContact SD-CG 4.27Å; M278-F371 HydrophobicContact SD-CZ 4.38Å
279	P	88.3	Confident	91.4	Very high	91 Å²	91	46.4 Å²	46.4	59%	0.591	25%	0.252	S	S	*	.			trans	-53.5	124.4	177.1	-26.6	35.3	0	0	0	112.8	M283 Y285	P279-M283 HydrophobicContact CB-CG 4.39Å; P279-M283 WeakPolarHBondContact O-CB 3.4Å; P279-M283 VanDerWaalsContact O-CG 3.29Å; P279-M283 WeakPolarHBondContact O-CG 3.21Å; P279-Y285 WeakPolarHBondContact O-CE2 3Å; P279-Y285 PolarHBondContact O-OH 3.41Å
280	Q	82.1	Confident	91.5	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.411	26%	0.255	S	S	.	.			trans	-93.4	-35.2	-172.5	-66.9	-62.7	-48.9	0	0	113.7	N256 T275 M278 H282	N256-Q280 VanDerWaalsContact CG-OE1 3.28Å; N256-Q280 PolarHBondContact ND2-OE1 3.43Å; N256-Q280 PolarHBondContact OD1-NE2 2.77Å; N256-Q280 PolarHBondContact OD1-OE1 3.44Å; T275-Q280 PolarHBondContact O-NE2 3.47Å; M278-Q280 PolarHBondContact O-N 3.02Å; M278-Q280 PolarHBondContact O-NE2 3.21Å; Q280-H282 PolarHBondContact O-N 3.48Å
281	S	84	Confident	91.4	Very high	83 Å²	83	41.5 Å²	41.5	58%	0.58	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	127.7	-172.8	-161.6	0	0	0	0	111.1	M283	S281-M283 PolarHBondContact O-N 3.36Å; S281-M283 VanDerWaalsContact O-N 3.08Å
282	H	86.3	Confident	91.4	Very high	84 Å²	84	39.8 Å²	39.8	39%	0.389	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	7	177.2	-46.3	-60.8	0	0	0	116.5	Q280 E319	Q280-H282 PolarHBondContact O-N 3.48Å; H282-E319 PolarHBondContact O-N 3.4Å
283	M	93.7	Very high	91.1	Very high	22 Å²	22	39 Å²	39	11%	0.108	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.6	177.1	-65.1	-61.6	-66.7	0	0	111.2	P279 S281 Y285 A316 F317 D318	P279-M283 HydrophobicContact CB-CG 4.39Å; P279-M283 WeakPolarHBondContact O-CB 3.4Å; P279-M283 VanDerWaalsContact O-CG 3.29Å; P279-M283 WeakPolarHBondContact O-CG 3.21Å; S281-M283 PolarHBondContact O-N 3.36Å; S281-M283 VanDerWaalsContact O-N 3.08Å; M283-Y285 HydrophobicContact CB-CD2 4.25Å; M283-Y285 HydrophobicContact CB-CE2 3.5Å; M283-Y285 HydrophobicContact CE-CE1 3.9Å; M283-Y285 HydrophobicContact CG-CE2 4.32Å; M283-A316 HydrophobicContact CE-CB 3.9Å; M283-F317 CarbonylContact C-O 3.6Å; M283-F317 WeakPolarHBondContact CA-O 3.31Å; M283-D318 HydrophobicContact CE-CB 4.33Å; M283-D318 VanDerWaalsContact SD-CA 3.58Å; M283-D318 HydrophobicContact SD-CB 3.55Å; M283-D318 VanDerWaalsContact SD-CB 3.55Å
284	S	94.8	Very high	90.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.8	167.2	-44.7	0	0	0	0	109.6	K255 A316 F317	K255-S284 WeakPolarHBondContact CD-OG 3.39Å; K255-S284 PolarHBondContact NZ-OG 2.86Å; S284-A316 CarbonylContact O-C 3.58Å; S284-A316 WeakPolarHBondContact O-CA 3.4Å; S284-F317 PolarHBondContact N-O 3.47Å; S284-F317 PolarHBondContact O-N 2.84Å
285	Y	96.9	Very high	90.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.2	-174.9	-63.3	-76.3	0	0	0	111.3	K255 I257 T275 M278 P279 M283 V287 A316	K255-Y285 PolarHBondContact O-N 3.3Å; I257-Y285 WeakPolarHBondContact CG1-O 3.27Å; T275-Y285 HydrophobicContact CG2-CD1 4.14Å; T275-Y285 HydrophobicContact CG2-CD2 3.92Å; T275-Y285 HydrophobicContact CG2-CG 3.68Å; M278-Y285 HydrophobicContact CB-CE1 4.48Å; M278-Y285 HydrophobicContact CB-CE2 4.35Å; M278-Y285 HydrophobicContact CE-CD1 4.29Å; M278-Y285 HydrophobicContact CE-CE1 3.57Å; M278-Y285 HydrophobicContact SD-CD1 4.48Å; M278-Y285 HydrophobicContact SD-CE1 4.09Å; P279-Y285 WeakPolarHBondContact O-CE2 3Å; P279-Y285 PolarHBondContact O-OH 3.41Å; M283-Y285 HydrophobicContact CB-CD2 4.25Å; M283-Y285 HydrophobicContact CB-CE2 3.5Å; M283-Y285 HydrophobicContact CE-CE1 3.9Å; M283-Y285 HydrophobicContact CG-CE2 4.32Å; Y285-V287 PolarHBondContact O-N 3.43Å; Y285-V287 VanDerWaalsContact O-N 3.1Å; Y285-A316 HydrophobicContact CD1-CB 3.52Å; Y285-A316 HydrophobicContact CE1-CB 3.6Å
286	G	95	Very high	90.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	72.2	-0.3	174	0	0	0	0	0	114.9	L239 A302 A315	L239-G286 VanDerWaalsContact CD2-O 3.25Å; L239-G286 WeakPolarHBondContact CD2-O 3.43Å; G286-A302 CarbonylContact O-C 3.6Å; G286-A302 PolarHBondContact O-N 2.9Å; G286-A315 PolarHBondContact N-O 2.85Å
287	V	93.7	Very high	90.5	Very high	13 Å²	13	30 Å²	30	8%	0.079	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-128.1	136.1	175.4	66.6	0	0	0	0	109.6	D238 V252 Y285 N300 F317	D238-V287 HydrophobicContact CB-CG2 4.12Å; V252-V287 HydrophobicContact CB-CB 4.47Å; V252-V287 HydrophobicContact CG1-CB 4.02Å; V252-V287 HydrophobicContact CG1-CG1 3.8Å; V252-V287 HydrophobicContact CG2-CB 4.48Å; Y285-V287 PolarHBondContact O-N 3.43Å; Y285-V287 VanDerWaalsContact O-N 3.1Å; V287-N300 CarbonylContact C-O 3.3Å; V287-N300 VanDerWaalsContact CA-O 3.28Å; V287-N300 WeakPolarHBondContact CA-O 3.48Å; V287-N300 HydrophobicContact CG2-CB 4.27Å; V287-N300 WeakPolarHBondContact CG2-O 3.25Å; V287-F317 VanDerWaalsContact O-CD2 3.31Å; V287-F317 WeakPolarHBondContact O-CD2 3.04Å; V287-F317 WeakPolarHBondContact O-CE2 3.28Å
288	S	92.4	Very high	90.4	Very high	9 Å²	9	25 Å²	25	6%	0.063	14%	0.136	C	C	.	.			trans	-62.6	144.8	177.8	-58.9	0	0	0	0	111.7	T299 N300	S288-T299 WeakPolarHBondContact CB-O 3.21Å; S288-T299 PolarHBondContact OG-O 3.27Å; S288-N300 PolarHBondContact N-O 3.44Å
289	T	91.7	Very high	90.2	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.037	13%	0.132	C	C	.	.			trans	-76.5	167	164	63.7	0	0	0	0	110	L291 Y292 E293 F317 E319	T289-L291 PolarHBondContact O-N 3.09Å; T289-L291 VanDerWaalsContact O-N 3.15Å; T289-Y292 PolarHBondContact O-N 2.85Å; T289-E293 WeakPolarHBondContact O-CB 3.36Å; T289-E293 PolarHBondContact O-N 3.13Å; T289-F317 HydrophobicContact CG2-CB 3.43Å; T289-F317 VanDerWaalsContact CG2-CB 3.43Å; T289-F317 HydrophobicContact CG2-CD1 4.43Å; T289-F317 HydrophobicContact CG2-CD2 4.31Å; T289-F317 HydrophobicContact CG2-CG 3.83Å; T289-E319 WeakPolarHBondContact CB-OE1 3.39Å; T289-E319 HydrophobicContact CG2-CG 3.73Å; T289-E319 WeakPolarHBondContact CG2-OE1 3.42Å
290	W	90.2	Very high	90.2	Very high	37 Å²	37	20.4 Å²	20.4	14%	0.14	11%	0.106	C	C	.	.	H	α-helix	trans	-49.8	-44	178.4	-179.4	92.2	0	0	0	112.1	Y292 E293 E294 Y345 T770 D813	W290-Y292 PolarHBondContact O-N 3.02Å; W290-E293 PolarHBondContact O-N 2.91Å; W290-E294 HydrophobicContact CD2-CB 4.46Å; W290-E294 HydrophobicContact CH2-CB 4.28Å; W290-E294 HydrophobicContact CH2-CG 4.01Å; W290-E294 HydrophobicContact CZ2-CB 4.08Å; W290-E294 HydrophobicContact CZ2-CG 3.8Å; W290-E294 WeakPolarHBondContact O-CB 3.37Å; W290-E294 PolarHBondContact O-N 2.83Å; W290-Y345 HydrophobicContact CD2-CD2 4.18Å; W290-Y345 HydrophobicContact CD2-CE2 4.31Å; W290-Y345 AromaticContact CE3-CD2 3.71Å; W290-Y345 HydrophobicContact CE3-CD2 3.71Å; W290-Y345 AromaticContact CE3-CE2 3.78Å; W290-Y345 HydrophobicContact CE3-CE2 3.78Å; W290-Y345 HydrophobicContact CH2-CD2 4.04Å; W290-Y345 AromaticContact CH2-CE2 3.24Å; W290-Y345 HydrophobicContact CH2-CE2 3.24Å; W290-Y345 AromaticContact CH2-CZ 3.98Å; W290-Y345 HydrophobicContact CZ2-CD2 4.42Å; W290-Y345 AromaticContact CZ2-CE2 3.77Å; W290-Y345 HydrophobicContact CZ2-CE2 3.77Å; W290-Y345 AromaticContact CZ3-CD2 3.64Å; W290-Y345 HydrophobicContact CZ3-CD2 3.64Å; W290-Y345 AromaticContact CZ3-CE2 3.22Å; W290-Y345 HydrophobicContact CZ3-CE2 3.22Å; W290-Y345 AromaticContact CZ3-CZ 3.98Å; W290-T770 HydrophobicContact CH2-CG2 4.18Å; W290-T770 HydrophobicContact CZ3-CG2 4.12Å; W290-D813 VanDerWaalsContact CZ2-O 3.32Å; W290-D813 WeakPolarHBondContact CZ2-O 3.46Å; W290-D813 PolarHBondContact NE1-O 3.14Å
291	L	92.6	Very high	90.7	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-58.2	-46.2	177.8	-176.2	69.9	0	0	0	112.6	T289 E295 I296 P357 T770 A772	T289-L291 PolarHBondContact O-N 3.09Å; T289-L291 VanDerWaalsContact O-N 3.15Å; L291-E295 WeakPolarHBondContact O-CB 3.43Å; L291-E295 PolarHBondContact O-N 2.84Å; L291-I296 HydrophobicContact CD2-CD1 4.3Å; L291-I296 HydrophobicContact CG-CD1 4.16Å; L291-P357 HydrophobicContact CB-CG 4.36Å; L291-P357 VanDerWaalsContact CD2-CD 3.43Å; L291-P357 HydrophobicContact CD2-CG 4.02Å; L291-T770 HydrophobicContact CD1-CG2 4.47Å; L291-T770 WeakPolarHBondContact CD1-OG1 3.14Å; L291-A772 HydrophobicContact CD1-CB 3.54Å; L291-A772 HydrophobicContact CD2-CB 4.38Å; L291-A772 HydrophobicContact CG-CB 4.08Å
292	Y	92.3	Very high	91.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-75.1	-41	-176.4	-86.6	-97.2	0	0	0	111.6	T289 W290 E294 I296 L297 H298 F317 P357 V359 L385 L386	T289-Y292 PolarHBondContact O-N 2.85Å; W290-Y292 PolarHBondContact O-N 3.02Å; Y292-E294 VanDerWaalsContact C-N 3.34Å; Y292-I296 HydrophobicContact CD1-CB 4.04Å; Y292-I296 HydrophobicContact CD1-CD1 3.93Å; Y292-I296 HydrophobicContact CD1-CG2 4.06Å; Y292-I296 HydrophobicContact CD2-CD1 4.07Å; Y292-I296 HydrophobicContact CE1-CB 4.36Å; Y292-I296 HydrophobicContact CE1-CD1 3.74Å; Y292-I296 HydrophobicContact CE1-CG2 4.02Å; Y292-I296 HydrophobicContact CE2-CD1 3.9Å; Y292-I296 HydrophobicContact CG-CD1 4.06Å; Y292-I296 PolarHBondContact O-N 3.06Å; Y292-L297 HydrophobicContact CD1-CD1 3.9Å; Y292-L297 HydrophobicContact CD1-CD2 4.38Å; Y292-L297 HydrophobicContact CD1-CG 3.84Å; Y292-L297 PolarHBondContact O-N 2.98Å; Y292-H298 PolarHBondContact O-N 2.83Å; Y292-F317 HydrophobicContact CD1-CD1 4.44Å; Y292-F317 AromaticContact CD1-CE1 3.47Å; Y292-F317 HydrophobicContact CD1-CE1 3.47Å; Y292-F317 VanDerWaalsContact CD1-CE1 3.47Å; Y292-F317 HydrophobicContact CD1-CZ 4.02Å; Y292-F317 AromaticContact CD2-CD1 3.64Å; Y292-F317 HydrophobicContact CD2-CD1 3.64Å; Y292-F317 AromaticContact CD2-CE1 3.46Å; Y292-F317 HydrophobicContact CD2-CE1 3.46Å; Y292-F317 VanDerWaalsContact CD2-CE1 3.46Å; Y292-F317 HydrophobicContact CD2-CZ 4.45Å; Y292-F317 AromaticContact CE1-CE1 3.73Å; Y292-F317 HydrophobicContact CE1-CE1 3.73Å; Y292-F317 AromaticContact CE2-CD1 3.78Å; Y292-F317 HydrophobicContact CE2-CD1 3.78Å; Y292-F317 AromaticContact CE2-CE1 3.7Å; Y292-F317 HydrophobicContact CE2-CE1 3.7Å; Y292-F317 HydrophobicContact CG-CD1 4.02Å; Y292-F317 AromaticContact CG-CE1 3.36Å; Y292-F317 HydrophobicContact CG-CE1 3.36Å; Y292-F317 AromaticContact CG-CZ 3.99Å; Y292-F317 HydrophobicContact CG-CZ 3.99Å; Y292-F317 AromaticContact CZ-CE1 3.85Å; Y292-P357 HydrophobicContact CE2-CB 4.26Å; Y292-V359 HydrophobicContact CE1-CG2 3.88Å; Y292-V359 HydrophobicContact CE2-CG2 3.77Å; Y292-V359 WeakPolarHBondContact OH-CG2 3.11Å; Y292-L385 WeakPolarHBondContact OH-CA 3.43Å; Y292-L385 WeakPolarHBondContact OH-CD2 3.44Å; Y292-L386 HydrophobicContact CE1-CB 4.24Å; Y292-L386 WeakPolarHBondContact CE1-O 3.46Å
293	E	89.5	Confident	91.7	Very high	19 Å²	19	9 Å²	9	9%	0.089	4%	0.044	C	C	.	.	H	α-helix	trans	-62.2	-42.5	176.1	-174.8	-177.9	168.9	0	0	111.2	T197 R199 C200 T289 W290 H298	T197-E293 PolarHBondContact OG1-OE1 2.93Å; R199-E293 HydrophobicContact CB-CG 3.87Å; R199-E293 WeakPolarHBondContact CB-OE1 3.36Å; R199-E293 HydrophobicContact CG-CG 4.19Å; C200-E293 WeakPolarHBondContact CB-OE1 3.45Å; C200-E293 PolarHBondContact N-OE1 3.14Å; C200-E293 VanDerWaalsContact N-OE1 3.12Å; T289-E293 WeakPolarHBondContact O-CB 3.36Å; T289-E293 PolarHBondContact O-N 3.13Å; W290-E293 PolarHBondContact O-N 2.91Å; E293-H298 WeakPolarHBondContact O-CA 3.42Å; E293-H298 PolarHBondContact O-N 3.17Å
294	E	87.7	Confident	91.8	Very high	12 Å²	12	9 Å²	9	6%	0.056	4%	0.043	C	C	.	.	H	α-helix	trans	-82.2	-48.9	-175	-176.3	51.1	-137.1	0	0	112.7	R198 W290 Y292 H298	R198-E294 WeakPolarHBondContact CD-OE2 3.48Å; R198-E294 IonicContact CZ-OE1 2.93Å; R198-E294 IonicContact CZ-OE2 3.63Å; R198-E294 IonicContact NE-OE1 3.29Å; R198-E294 PolarHBondContact NE-OE1 2.02Å; R198-E294 IonicContact NE-OE2 3.94Å; R198-E294 PolarHBondContact NE-OE2 3.33Å; R198-E294 IonicContact NH2-OE1 3.07Å; R198-E294 PolarHBondContact NH2-OE1 3.31Å; R198-E294 IonicContact NH2-OE2 2.98Å; W290-E294 HydrophobicContact CD2-CB 4.46Å; W290-E294 HydrophobicContact CH2-CB 4.28Å; W290-E294 HydrophobicContact CH2-CG 4.01Å; W290-E294 HydrophobicContact CZ2-CB 4.08Å; W290-E294 HydrophobicContact CZ2-CG 3.8Å; W290-E294 WeakPolarHBondContact O-CB 3.37Å; W290-E294 PolarHBondContact O-N 2.83Å; Y292-E294 VanDerWaalsContact C-N 3.34Å; E294-H298 PolarHBondContact O-CE1 3.46Å; E294-H298 PolarHBondContact O-ND1 2.99Å
295	E	89.3	Confident	91.9	Very high	11 Å²	11	9.8 Å²	9.8	5%	0.051	5%	0.046	C	C	.	.	H	α-helix	trans	-111.5	-15.6	-160.8	-65.3	-65.8	176.1	0	0	115.8	L291 Y769 T770 A772 Y773 R776	L291-E295 WeakPolarHBondContact O-CB 3.43Å; L291-E295 PolarHBondContact O-N 2.84Å; E295-Y769 PolarHBondContact OE1-OH 3.32Å; E295-T770 HydrophobicContact CG-CG2 3.61Å; E295-A772 HydrophobicContact CB-CB 3.86Å; E295-A772 HydrophobicContact CG-CB 4.46Å; E295-Y773 WeakPolarHBondContact OE2-CD2 3.16Å; E295-R776 PolarHBondContact O-NH2 3.23Å
296	I	91.2	Very high	91.9	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.015	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-66	-167.8	-52.4	173.2	0	0	0	112.2	L291 Y292 L385 L386 T387 A772	L291-I296 HydrophobicContact CD2-CD1 4.3Å; L291-I296 HydrophobicContact CG-CD1 4.16Å; Y292-I296 HydrophobicContact CD1-CB 4.04Å; Y292-I296 HydrophobicContact CD1-CD1 3.93Å; Y292-I296 HydrophobicContact CD1-CG2 4.06Å; Y292-I296 HydrophobicContact CD2-CD1 4.07Å; Y292-I296 HydrophobicContact CE1-CB 4.36Å; Y292-I296 HydrophobicContact CE1-CD1 3.74Å; Y292-I296 HydrophobicContact CE1-CG2 4.02Å; Y292-I296 HydrophobicContact CE2-CD1 3.9Å; Y292-I296 HydrophobicContact CG-CD1 4.06Å; Y292-I296 PolarHBondContact O-N 3.06Å; I296-L385 HydrophobicContact CD1-CB 4.27Å; I296-L385 HydrophobicContact CD1-CD1 4.06Å; I296-L385 HydrophobicContact CD1-CD2 4.05Å; I296-L385 HydrophobicContact CD1-CG 4.35Å; I296-L386 WeakPolarHBondContact CG2-O 3.45Å; I296-T387 HydrophobicContact CG2-CG2 4.09Å; I296-A772 HydrophobicContact CD1-CB 4.1Å; I296-A772 HydrophobicContact CG1-CB 4.07Å
297	L	89.6	Confident	91.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-87.4	-26.8	-176.6	-58.4	-178.4	0	0	0	112.4	Y292 T299 F317 L386 Q439	Y292-L297 HydrophobicContact CD1-CD1 3.9Å; Y292-L297 HydrophobicContact CD1-CD2 4.38Å; Y292-L297 HydrophobicContact CD1-CG 3.84Å; Y292-L297 PolarHBondContact O-N 2.98Å; L297-T299 HydrophobicContact CB-CG2 4.11Å; L297-T299 PolarHBondContact O-N 2.86Å; L297-F317 HydrophobicContact CD1-CZ 4.4Å; L297-L386 WeakPolarHBondContact CD2-O 3.39Å; L297-Q439 HydrophobicContact CB-CB 4.49Å; L297-Q439 VanDerWaalsContact CB-OE1 3.29Å; L297-Q439 VanDerWaalsContact CD2-OE1 3.23Å; L297-Q439 WeakPolarHBondContact O-CB 3.47Å
298	H	86.6	Confident	91.8	Very high	15 Å²	15	14.1 Å²	14.1	7%	0.069	7%	0.071	C	C	.	.	S	Bend	trans	59.8	23.2	-175.9	-56	-64	0	0	0	114.1	Y292 E293 E294 K438 T440	Y292-H298 PolarHBondContact O-N 2.83Å; E293-H298 WeakPolarHBondContact O-CA 3.42Å; E293-H298 PolarHBondContact O-N 3.17Å; E294-H298 PolarHBondContact O-CE1 3.46Å; E294-H298 PolarHBondContact O-ND1 2.99Å; H298-K438 WeakPolarHBondContact NE2-CD 3.12Å; H298-K438 WeakPolarHBondContact NE2-CG 3.27Å; H298-T440 HydrophobicContact CB-CG2 4.2Å; H298-T440 WeakPolarHBondContact O-CG2 3.42Å
299	T	86.9	Confident	91.9	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.031	7%	0.072	C	C	.	.	S	Bend	trans	-149.7	153.6	175.1	-176.6	0	0	0	0	109.7	C6 H7 S288 L297 E301	C6-T299 PolarHBondContact O-OG1 3.48Å; H7-T299 PolarHBondContact CE1-OG1 3.23Å; S288-T299 WeakPolarHBondContact CB-O 3.21Å; S288-T299 PolarHBondContact OG-O 3.27Å; L297-T299 HydrophobicContact CB-CG2 4.11Å; L297-T299 PolarHBondContact O-N 2.86Å; T299-E301 VanDerWaalsContact C-N 3.27Å; T299-E301 HydrophobicContact CG2-CB 4.26Å; T299-E301 PolarHBondContact OG1-N 2.96Å
300	N	88.9	Confident	92.1	Very high	11 Å²	11	17 Å²	17	6%	0.059	9%	0.087	C	C	.	.	S	Bend	trans	-77.7	-14.7	170.1	67.3	-27.7	0	0	0	112.2	C200 D238 V287 S288 A302	C200-N300 HydrophobicContact CB-CB 3.73Å; C200-N300 PolarHBondContact SG-OD1 2.95Å; D238-N300 PolarHBondContact O-ND2 2.94Å; V287-N300 CarbonylContact C-O 3.3Å; V287-N300 VanDerWaalsContact CA-O 3.28Å; V287-N300 WeakPolarHBondContact CA-O 3.48Å; V287-N300 HydrophobicContact CG2-CB 4.27Å; V287-N300 WeakPolarHBondContact CG2-O 3.25Å; S288-N300 PolarHBondContact N-O 3.44Å; N300-A302 PolarHBondContact O-N 3.07Å
301	E	91.5	Very high	92.5	Very high	14 Å²	14	17.6 Å²	17.6	7%	0.065	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-73.2	125	-179.9	-168.4	-170.6	118.7	0	0	111.6	H7 L239 K241 T299	H7-E301 VanDerWaalsContact CE1-CB 3.48Å; H7-E301 WeakPolarHBondContact CE1-CB 3.49Å; H7-E301 IonicContact CE1-OE2 2.9Å; H7-E301 PolarHBondContact CE1-OE2 3.02Å; H7-E301 IonicContact ND1-OE2 3.71Å; H7-E301 IonicContact NE2-OE2 3.74Å; H7-E301 PolarHBondContact NE2-OE2 3.38Å; H7-E301 VanDerWaalsContact NE2-OE2 3.16Å; L239-E301 HydrophobicContact CD1-CB 4.02Å; L239-E301 HydrophobicContact CD1-CG 4.23Å; L239-E301 HydrophobicContact CD2-CB 4.36Å; L239-E301 HydrophobicContact CD2-CG 4.06Å; K241-E301 WeakPolarHBondContact CD-OE2 3.2Å; K241-E301 IonicContact NZ-OE1 2.77Å; K241-E301 PolarHBondContact NZ-OE1 3.15Å; K241-E301 IonicContact NZ-OE2 2.7Å; K241-E301 PolarHBondContact NZ-OE2 2.85Å; T299-E301 VanDerWaalsContact C-N 3.27Å; T299-E301 HydrophobicContact CG2-CB 4.26Å; T299-E301 PolarHBondContact OG1-N 2.96Å
302	A	94.9	Very high	92.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.			trans	-136.1	36	174.4	0	0	0	0	0	112	G286 N300 W304 A315 F317	G286-A302 CarbonylContact O-C 3.6Å; G286-A302 PolarHBondContact O-N 2.9Å; N300-A302 PolarHBondContact O-N 3.07Å; A302-W304 HydrophobicContact CB-CH2 4.29Å; A302-W304 WeakPolarHBondContact O-CZ3 3.48Å; A302-A315 HydrophobicContact CB-CB 4Å; A302-A315 PolarHBondContact O-N 2.74Å; A302-F317 HydrophobicContact CB-CE2 3.67Å; A302-F317 HydrophobicContact CB-CZ 4.04Å
303	L	96.1	Very high	93	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	141	176.7	61.7	85.2	0	0	0	110.9	L239 K241 A250 V252 L312 A313 V314	L239-L303 HydrophobicContact CD2-CD2 3.65Å; L239-L303 HydrophobicContact CD2-CG 3.89Å; K241-L303 HydrophobicContact CB-CD1 4.24Å; K241-L303 HydrophobicContact CD-CD1 3.84Å; A250-L303 HydrophobicContact CB-CD1 4.43Å; V252-L303 HydrophobicContact CG2-CD2 4.08Å; L303-L312 HydrophobicContact CB-CD1 4.17Å; L303-L312 HydrophobicContact CD1-CD1 4.05Å; L303-A313 CarbonylContact C-O 3.54Å; L303-A313 VanDerWaalsContact CA-O 3.25Å; L303-A313 WeakPolarHBondContact CA-O 3.35Å; L303-V314 HydrophobicContact CB-CG2 4.39Å
304	W	96.1	Very high	93.4	Very high	22 Å²	22	16.5 Å²	16.5	8%	0.083	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	115.6	-173.5	-55	-85.2	0	0	0	110.5	A302 A313 A315 L361 L386 A389 W391 F397	A302-W304 HydrophobicContact CB-CH2 4.29Å; A302-W304 WeakPolarHBondContact O-CZ3 3.48Å; W304-A313 HydrophobicContact CB-CB 4.44Å; W304-A313 HydrophobicContact CE3-CB 4.3Å; W304-A313 PolarHBondContact N-O 2.72Å; W304-A313 PolarHBondContact O-N 2.92Å; W304-A315 HydrophobicContact CH2-CB 4.11Å; W304-A315 HydrophobicContact CZ3-CB 4.07Å; W304-L361 HydrophobicContact CZ3-CD2 4.26Å; W304-L386 HydrophobicContact CH2-CD2 4.1Å; W304-A389 HydrophobicContact CD2-CB 3.94Å; W304-A389 HydrophobicContact CE3-CB 3.97Å; W304-A389 HydrophobicContact CH2-CB 3.89Å; W304-A389 HydrophobicContact CZ2-CB 3.87Å; W304-A389 HydrophobicContact CZ3-CB 3.93Å; W304-A389 PolarHBondContact NE1-O 2.98Å; W304-W391 PolarHBondContact O-NE1 2.82Å; W304-F397 HydrophobicContact CB-CE2 4.17Å; W304-F397 HydrophobicContact CD2-CZ 4.42Å; W304-F397 HydrophobicContact CE3-CE2 4.48Å; W304-F397 AromaticContact CE3-CZ 3.93Å; W304-F397 HydrophobicContact CE3-CZ 3.93Å; W304-F397 HydrophobicContact CG-CE2 4.5Å
305	W	97	Very high	93.8	Very high	20 Å²	20	15.9 Å²	15.9	8%	0.076	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.7	172.7	-74.1	108.6	0	0	0	111.1	W242 P244 A250 L259 L312 M366 W391	W242-W305 PolarHBondContact O-NE1 3.02Å; P244-W305 HydrophobicContact CG-CB 3.73Å; P244-W305 HydrophobicContact CG-CG 4.33Å; A250-W305 HydrophobicContact CB-CZ2 3.82Å; L259-W305 HydrophobicContact CD1-CH2 4.49Å; L259-W305 HydrophobicContact CD2-CH2 4.04Å; L259-W305 HydrophobicContact CD2-CZ2 3.97Å; W305-L312 HydrophobicContact CD2-CB 4.45Å; W305-L312 HydrophobicContact CD2-CD1 3.67Å; W305-L312 HydrophobicContact CE3-CB 3.97Å; W305-L312 HydrophobicContact CE3-CD1 4.06Å; W305-L312 HydrophobicContact CG-CD1 3.92Å; W305-L312 HydrophobicContact CH2-CB 4.38Å; W305-L312 HydrophobicContact CH2-CD2 4.36Å; W305-L312 HydrophobicContact CZ2-CD1 4.33Å; W305-L312 HydrophobicContact CZ2-CD2 4.32Å; W305-L312 HydrophobicContact CZ3-CB 3.93Å; W305-M366 HydrophobicContact CH2-CE 4.1Å; W305-M366 HydrophobicContact CH2-SD 3.8Å; W305-M366 HydrophobicContact CZ3-CE 4.3Å; W305-M366 HydrophobicContact CZ3-CG 4Å; W305-M366 HydrophobicContact CZ3-SD 3.78Å; W305-W391 VanDerWaalsContact C-CD1 3.45Å
306	S	96.3	Very high	94.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.			trans	-68	154.5	162.9	83.9	0	0	0	0	109.6	P244 S308 G309 Y311 D394	P244-S306 WeakPolarHBondContact CG-O 2.99Å; S306-S308 PolarHBondContact O-N 3.14Å; S306-S308 VanDerWaalsContact O-N 3.14Å; S306-S308 PolarHBondContact OG-OG 3.46Å; S306-G309 WeakPolarHBondContact O-CA 3.43Å; S306-G309 PolarHBondContact O-N 2.98Å; S306-Y311 PolarHBondContact N-O 3.22Å; S306-Y311 PolarHBondContact OG-N 3.15Å; S306-D394 WeakPolarHBondContact CB-OD1 3.47Å; S306-D394 PolarHBondContact OG-OD1 2.95Å
307	D	92.3	Very high	94.4	Very high	79 Å²	79	15.2 Å²	15.2	42%	0.422	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.4	-173.4	-62.4	-48	0	0	0	113.6	P244 G309 K448	P244-D307 WeakPolarHBondContact CB-O 3.41Å; D307-G309 PolarHBondContact O-N 2.81Å; D307-K448 IonicContact OD1-NZ 3.7Å; D307-K448 PolarHBondContact OD1-NZ 3.47Å; D307-K448 WeakPolarHBondContact OD2-CE 3.45Å; D307-K448 IonicContact OD2-NZ 3Å; D307-K448 PolarHBondContact OD2-NZ 3.36Å
308	S	94.6	Very high	94.7	Very high	27 Å²	27	17.9 Å²	17.9	19%	0.189	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.1	176.7	75	0	0	0	0	113.2	K245 S306 N310 D394	K245-S308 VanDerWaalsContact CD-O 3.24Å; K245-S308 WeakPolarHBondContact CD-O 3.43Å; K245-S308 WeakPolarHBondContact CE-O 3.25Å; K245-S308 PolarHBondContact NZ-O 2.85Å; S306-S308 PolarHBondContact O-N 3.14Å; S306-S308 VanDerWaalsContact O-N 3.14Å; S306-S308 PolarHBondContact OG-OG 3.46Å; S308-N310 PolarHBondContact O-N 3.46Å; S308-N310 VanDerWaalsContact OG-CB 3.22Å; S308-N310 WeakPolarHBondContact OG-CB 3.22Å; S308-N310 PolarHBondContact OG-N 3.3Å; S308-N310 PolarHBondContact OG-ND2 3.26Å; S308-D394 WeakPolarHBondContact CB-OD1 3.42Å; S308-D394 WeakPolarHBondContact CB-OD2 3.01Å; S308-D394 PolarHBondContact N-OD1 3.35Å; S308-D394 PolarHBondContact OG-OD1 2.85Å; S308-D394 PolarHBondContact OG-OD2 2.75Å
309	G	95.5	Very high	95.1	Very high	8 Å²	8	17.5 Å²	17.5	8%	0.082	9%	0.091	C	C	.	.	S	Bend	trans	65.9	16.9	-169.3	0	0	0	0	0	114.1	S306 D307 M366	S306-G309 WeakPolarHBondContact O-CA 3.43Å; S306-G309 PolarHBondContact O-N 2.98Å; D307-G309 PolarHBondContact O-N 2.81Å; G309-M366 WeakPolarHBondContact O-CG 3.36Å
310	N	96.3	Very high	95.4	Very high	68 Å²	68	20.7 Å²	20.7	36%	0.364	11%	0.11	S	C	.	.	S	Bend	trans	-78.5	-25.1	175.5	-67.7	-22.8	0	0	0	112.2	K245 S308 M366 D394	K245-N310 PolarHBondContact NZ-OD1 3.08Å; S308-N310 PolarHBondContact O-N 3.46Å; S308-N310 VanDerWaalsContact OG-CB 3.22Å; S308-N310 WeakPolarHBondContact OG-CB 3.22Å; S308-N310 PolarHBondContact OG-N 3.3Å; S308-N310 PolarHBondContact OG-ND2 3.26Å; N310-M366 VanDerWaalsContact O-CB 3.23Å; N310-M366 WeakPolarHBondContact O-CB 3.45Å; N310-M366 VanDerWaalsContact O-CG 3.28Å; N310-M366 WeakPolarHBondContact O-CG 3.43Å; N310-M366 PolarHBondContact O-N 2.88Å; N310-D394 PolarHBondContact ND2-OD2 2.81Å
311	Y	97.3	Very high	95.5	Very high	49 Å²	49	24.8 Å²	24.8	19%	0.192	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.7	178.7	-54.2	-74.9	0	0	0	112.1	S306 L363 Y364 D365 W391 D394 Q416	S306-Y311 PolarHBondContact N-O 3.22Å; S306-Y311 PolarHBondContact OG-N 3.15Å; Y311-L363 HydrophobicContact CD1-CD2 3.87Å; Y311-L363 HydrophobicContact CD1-CG 4.3Å; Y311-L363 HydrophobicContact CE1-CD2 4.4Å; Y311-L363 HydrophobicContact CG-CD2 4.32Å; Y311-Y364 WeakPolarHBondContact CA-O 3.25Å; Y311-D365 HydrophobicContact CD1-CB 4.09Å; Y311-D365 HydrophobicContact CE1-CB 4.03Å; Y311-W391 HydrophobicContact CG-CH2 4.47Å; Y311-D394 HydrophobicContact CD2-CB 4.48Å; Y311-D394 WeakPolarHBondContact CD2-O 3.41Å; Y311-D394 HydrophobicContact CE2-CB 4.42Å; Y311-D394 WeakPolarHBondContact CE2-O 3.4Å; Y311-Q416 HydrophobicContact CE1-CG 4.12Å; Y311-Q416 HydrophobicContact CE2-CG 4.16Å
312	L	97.4	Very high	95.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	110.1	172.3	178.6	67.1	0	0	0	108.5	L259 L274 L303 W305 V314 Y364	L259-L312 HydrophobicContact CD2-CD2 4.45Å; L274-L312 HydrophobicContact CD1-CD2 4.42Å; L303-L312 HydrophobicContact CB-CD1 4.17Å; L303-L312 HydrophobicContact CD1-CD1 4.05Å; W305-L312 HydrophobicContact CD2-CB 4.45Å; W305-L312 HydrophobicContact CD2-CD1 3.67Å; W305-L312 HydrophobicContact CE3-CB 3.97Å; W305-L312 HydrophobicContact CE3-CD1 4.06Å; W305-L312 HydrophobicContact CG-CD1 3.92Å; W305-L312 HydrophobicContact CH2-CB 4.38Å; W305-L312 HydrophobicContact CH2-CD2 4.36Å; W305-L312 HydrophobicContact CZ2-CD1 4.33Å; W305-L312 HydrophobicContact CZ2-CD2 4.32Å; W305-L312 HydrophobicContact CZ3-CB 3.93Å; L312-V314 HydrophobicContact CD2-CG2 4.18Å; L312-V314 HydrophobicContact CG-CG2 3.95Å; L312-Y364 PolarHBondContact N-O 3.03Å; L312-Y364 PolarHBondContact O-N 2.68Å
313	A	97.9	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.9	170.3	0	0	0	0	0	109.4	L303 W304 Y362 L363 W391 F397	L303-A313 CarbonylContact C-O 3.54Å; L303-A313 VanDerWaalsContact CA-O 3.25Å; L303-A313 WeakPolarHBondContact CA-O 3.35Å; W304-A313 HydrophobicContact CB-CB 4.44Å; W304-A313 HydrophobicContact CE3-CB 4.3Å; W304-A313 PolarHBondContact N-O 2.72Å; W304-A313 PolarHBondContact O-N 2.92Å; A313-Y362 CarbonylContact C-O 3.56Å; A313-Y362 WeakPolarHBondContact CA-O 3.49Å; A313-L363 HydrophobicContact CB-CD1 4.24Å; A313-W391 HydrophobicContact CB-CZ2 3.88Å; A313-F397 HydrophobicContact CB-CD1 4.46Å; A313-F397 HydrophobicContact CB-CD2 4.14Å; A313-F397 HydrophobicContact CB-CE1 3.93Å; A313-F397 HydrophobicContact CB-CE2 3.57Å; A313-F397 HydrophobicContact CB-CZ 3.41Å; A313-F397 VanDerWaalsContact CB-CZ 3.41Å
314	V	97.6	Very high	95.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.7	-173.5	172.6	0	0	0	0	109	I257 L303 L312 L361 Y362 F371	I257-V314 HydrophobicContact CD1-CB 4.18Å; I257-V314 HydrophobicContact CD1-CG1 3.4Å; I257-V314 VanDerWaalsContact CD1-CG1 3.4Å; I257-V314 HydrophobicContact CD1-CG2 3.63Å; L303-V314 HydrophobicContact CB-CG2 4.39Å; L312-V314 HydrophobicContact CD2-CG2 4.18Å; L312-V314 HydrophobicContact CG-CG2 3.95Å; V314-L361 WeakPolarHBondContact O-CA 3.23Å; V314-Y362 PolarHBondContact N-O 3.26Å; V314-Y362 PolarHBondContact O-N 3.01Å; V314-F371 HydrophobicContact CB-CE1 4.36Å; V314-F371 HydrophobicContact CG2-CE1 4.08Å
315	A	97.1	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131	162.8	0	0	0	0	0	110	G286 A302 W304 F317 V359 L361 L386	G286-A315 PolarHBondContact N-O 2.85Å; A302-A315 HydrophobicContact CB-CB 4Å; A302-A315 PolarHBondContact O-N 2.74Å; W304-A315 HydrophobicContact CH2-CB 4.11Å; W304-A315 HydrophobicContact CZ3-CB 4.07Å; A315-F317 HydrophobicContact CB-CE2 3.89Å; A315-F317 HydrophobicContact CB-CZ 3.79Å; A315-V359 HydrophobicContact CB-CG1 4.13Å; A315-L361 HydrophobicContact CB-CD2 4.03Å; A315-L386 HydrophobicContact CB-CD2 4.12Å
316	A	97.1	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130	171.3	0	0	0	0	0	109.3	M283 S284 Y285 V359 T360 Y362	M283-A316 HydrophobicContact CE-CB 3.9Å; S284-A316 CarbonylContact O-C 3.58Å; S284-A316 WeakPolarHBondContact O-CA 3.4Å; Y285-A316 HydrophobicContact CD1-CB 3.52Å; Y285-A316 HydrophobicContact CE1-CB 3.6Å; A316-V359 WeakPolarHBondContact O-CA 3.09Å; A316-T360 PolarHBondContact N-O 3.33Å; A316-T360 PolarHBondContact O-N 2.88Å; A316-Y362 HydrophobicContact CB-CD2 3.73Å; A316-Y362 HydrophobicContact CB-CE2 3.54Å
317	F	96.3	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.6	-178.2	-57.2	-86.3	0	0	0	110.1	M283 S284 V287 T289 Y292 L297 A302 A315 P357 V359	M283-F317 CarbonylContact C-O 3.6Å; M283-F317 WeakPolarHBondContact CA-O 3.31Å; S284-F317 PolarHBondContact N-O 3.47Å; S284-F317 PolarHBondContact O-N 2.84Å; V287-F317 VanDerWaalsContact O-CD2 3.31Å; V287-F317 WeakPolarHBondContact O-CD2 3.04Å; V287-F317 WeakPolarHBondContact O-CE2 3.28Å; T289-F317 HydrophobicContact CG2-CB 3.43Å; T289-F317 VanDerWaalsContact CG2-CB 3.43Å; T289-F317 HydrophobicContact CG2-CD1 4.43Å; T289-F317 HydrophobicContact CG2-CD2 4.31Å; T289-F317 HydrophobicContact CG2-CG 3.83Å; Y292-F317 HydrophobicContact CD1-CD1 4.44Å; Y292-F317 AromaticContact CD1-CE1 3.47Å; Y292-F317 HydrophobicContact CD1-CE1 3.47Å; Y292-F317 VanDerWaalsContact CD1-CE1 3.47Å; Y292-F317 HydrophobicContact CD1-CZ 4.02Å; Y292-F317 AromaticContact CD2-CD1 3.64Å; Y292-F317 HydrophobicContact CD2-CD1 3.64Å; Y292-F317 AromaticContact CD2-CE1 3.46Å; Y292-F317 HydrophobicContact CD2-CE1 3.46Å; Y292-F317 VanDerWaalsContact CD2-CE1 3.46Å; Y292-F317 HydrophobicContact CD2-CZ 4.45Å; Y292-F317 AromaticContact CE1-CE1 3.73Å; Y292-F317 HydrophobicContact CE1-CE1 3.73Å; Y292-F317 AromaticContact CE2-CD1 3.78Å; Y292-F317 HydrophobicContact CE2-CD1 3.78Å; Y292-F317 AromaticContact CE2-CE1 3.7Å; Y292-F317 HydrophobicContact CE2-CE1 3.7Å; Y292-F317 HydrophobicContact CG-CD1 4.02Å; Y292-F317 AromaticContact CG-CE1 3.36Å; Y292-F317 HydrophobicContact CG-CE1 3.36Å; Y292-F317 AromaticContact CG-CZ 3.99Å; Y292-F317 HydrophobicContact CG-CZ 3.99Å; Y292-F317 AromaticContact CZ-CE1 3.85Å; L297-F317 HydrophobicContact CD1-CZ 4.4Å; A302-F317 HydrophobicContact CB-CE2 3.67Å; A302-F317 HydrophobicContact CB-CZ 4.04Å; A315-F317 HydrophobicContact CB-CE2 3.89Å; A315-F317 HydrophobicContact CB-CZ 3.79Å; F317-P357 HydrophobicContact CB-CB 4.5Å; F317-V359 HydrophobicContact CD1-CB 4.49Å; F317-V359 HydrophobicContact CD1-CG1 4.44Å; F317-V359 HydrophobicContact CD1-CG2 3.6Å; F317-V359 HydrophobicContact CE1-CB 4.45Å; F317-V359 HydrophobicContact CE1-CG1 4.1Å; F317-V359 HydrophobicContact CE1-CG2 3.56Å
318	D	95.4	Very high	94.1	Very high	55 Å²	55	33.7 Å²	33.7	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.9	173.2	-176.4	-6.1	0	0	0	110.3	M283 T320 P357 V358	M283-D318 HydrophobicContact CE-CB 4.33Å; M283-D318 VanDerWaalsContact SD-CA 3.58Å; M283-D318 HydrophobicContact SD-CB 3.55Å; M283-D318 VanDerWaalsContact SD-CB 3.55Å; D318-T320 WeakPolarHBondContact OD1-CB 3.39Å; D318-T320 PolarHBondContact OD1-N 3.35Å; D318-T320 PolarHBondContact OD1-OG1 3.41Å; D318-P357 VanDerWaalsContact O-CA 3.29Å; D318-P357 WeakPolarHBondContact O-CA 3.24Å; D318-V358 HydrophobicContact CB-CB 4.35Å; D318-V358 PolarHBondContact N-O 2.97Å; D318-V358 PolarHBondContact O-N 3.37Å
319	E	94.4	Very high	93.5	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.037	18%	0.184	C	C	.	.			trans	-100.6	18.5	178.1	-58.4	-171.8	108.9	0	0	113.1	K255 H282 T289 N321 V322 K344 P357	K255-E319 IonicContact NZ-OE2 3.17Å; K255-E319 PolarHBondContact NZ-OE2 3.24Å; H282-E319 PolarHBondContact O-N 3.4Å; T289-E319 WeakPolarHBondContact CB-OE1 3.39Å; T289-E319 HydrophobicContact CG2-CG 3.73Å; T289-E319 WeakPolarHBondContact CG2-OE1 3.42Å; E319-N321 VanDerWaalsContact C-N 3.35Å; E319-N321 PolarHBondContact O-N 3.38Å; E319-V322 HydrophobicContact CB-CB 4.1Å; E319-V322 HydrophobicContact CB-CG2 4.08Å; E319-V322 HydrophobicContact CG-CG2 4.44Å; E319-V322 PolarHBondContact O-N 3.29Å; E319-V322 VanDerWaalsContact O-N 3.15Å; E319-K344 HydrophobicContact CB-CD 4.18Å; E319-K344 HydrophobicContact CB-CG 4.14Å; E319-K344 PolarHBondContact O-NZ 2.87Å; E319-K344 WeakPolarHBondContact OE1-CB 3.35Å; E319-P357 HydrophobicContact CG-CB 4.39Å; E319-P357 HydrophobicContact CG-CG 4.42Å
320	T	93.2	Very high	92.8	Very high	71 Å²	71	38.8 Å²	38.8	44%	0.436	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-46.7	-177.4	-62.1	0	0	0	0	111.8	D318 V322	D318-T320 WeakPolarHBondContact OD1-CB 3.39Å; D318-T320 PolarHBondContact OD1-N 3.35Å; D318-T320 PolarHBondContact OD1-OG1 3.41Å; T320-V322 VanDerWaalsContact C-N 3.33Å
321	N	92.2	Very high	91.5	Very high	98 Å²	98	40.1 Å²	40.1	52%	0.524	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.7	179.9	-65.5	-27.5	0	0	0	113.9	E319 Y354	E319-N321 VanDerWaalsContact C-N 3.35Å; E319-N321 PolarHBondContact O-N 3.38Å; N321-Y354 WeakPolarHBondContact CB-O 3.26Å
322	V	94.5	Very high	89.5	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.03	22%	0.223	C	C	.	.	S	Bend	trans	-83.8	126.3	178.5	-177.8	0	0	0	0	108.9	E319 T320 K344 P357	E319-V322 HydrophobicContact CB-CB 4.1Å; E319-V322 HydrophobicContact CB-CG2 4.08Å; E319-V322 HydrophobicContact CG-CG2 4.44Å; E319-V322 PolarHBondContact O-N 3.29Å; E319-V322 VanDerWaalsContact O-N 3.15Å; T320-V322 VanDerWaalsContact C-N 3.33Å; V322-K344 HydrophobicContact CB-CD 4.2Å; V322-K344 HydrophobicContact CG1-CB 4.02Å; V322-K344 HydrophobicContact CG1-CD 4.3Å; V322-K344 VanDerWaalsContact O-CD 3.31Å; V322-K344 WeakPolarHBondContact O-CD 3.11Å; V322-K344 PolarHBondContact O-NZ 2.73Å; V322-P357 HydrophobicContact CG2-CB 4.4Å; V322-P357 HydrophobicContact CG2-CG 3.9Å
323	S	93.1	Very high	87.5	Confident	44 Å²	44	48.8 Å²	48.8	31%	0.308	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-59.8	153.9	177.6	-69.3	0	0	0	0	112.2	K344 Y345 E350	S323-K344 WeakPolarHBondContact O-CA 3.28Å; S323-Y345 PolarHBondContact O-N 3.2Å; S323-E350 WeakPolarHBondContact CB-OE1 3.13Å; S323-E350 VanDerWaalsContact OG-CD 3.23Å; S323-E350 PolarHBondContact OG-OE1 2.93Å; S323-E350 PolarHBondContact OG-OE2 2.86Å
324	T	91.9	Very high	85.4	Confident	73 Å²	73	60.2 Å²	60.2	45%	0.448	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.9	174.9	-57.6	0	0	0	0	109.2	K342 I343	T324-K342 HydrophobicContact CG2-CB 3.7Å; T324-K342 HydrophobicContact CG2-CD 4.17Å; T324-K342 HydrophobicContact CG2-CG 4.15Å; T324-I343 CarbonylContact C-O 3.49Å; T324-I343 VanDerWaalsContact CA-O 3.28Å; T324-I343 WeakPolarHBondContact CA-O 3.47Å
325	Y	90.9	Very high	83.4	Confident	50 Å²	50	65.9 Å²	65.9	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.7	170.8	-168.2	-100	0	0	0	110.4	I327 K342 I343 M347 H816	Y325-I327 HydrophobicContact CD1-CG1 3.87Å; Y325-I327 HydrophobicContact CE1-CG1 4.18Å; Y325-K342 WeakPolarHBondContact O-CA 3.39Å; Y325-I343 PolarHBondContact N-O 3.26Å; Y325-I343 PolarHBondContact O-N 3.08Å; Y325-M347 HydrophobicContact CD2-CE 3.26Å; Y325-M347 HydrophobicContact CE2-CE 3.7Å; Y325-M347 HydrophobicContact CG-CE 4.21Å; Y325-H816 AromaticContact CD1-CD2 3.26Å; Y325-H816 WeakPolarHBondContact CD1-CD2 3.46Å; Y325-H816 AromaticContact CD1-CE1 3.96Å; Y325-H816 AromaticContact CD1-CG 3.89Å; Y325-H816 AromaticContact CD1-NE2 3.28Å; Y325-H816 VanDerWaalsContact CD1-NE2 3.28Å; Y325-H816 WeakPolarHBondContact CD1-NE2 3.42Å; Y325-H816 HydrophobicContact CE1-CB 3.83Å; Y325-H816 AromaticContact CE1-CD2 3.1Å; Y325-H816 WeakPolarHBondContact CE1-CD2 3.49Å; Y325-H816 AromaticContact CE1-CG 3.49Å; Y325-H816 VanDerWaalsContact CE1-CG 3.49Å; Y325-H816 AromaticContact CE1-NE2 3.68Å; Y325-H816 HydrophobicContact CE2-CB 4.33Å; Y325-H816 AromaticContact CG-NE2 3.76Å; Y325-H816 AromaticContact CZ-CD2 3.77Å; Y325-H816 AromaticContact CZ-CG 3.63Å; Y325-H816 WeakPolarHBondContact OH-CB 3.49Å
326	E	90.1	Very high	81.4	Confident	74 Å²	74	76.5 Å²	76.5	35%	0.346	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.4	177.9	-59.5	-166.9	144	0	0	109.8	K340 K342	E326-K340 WeakPolarHBondContact OE2-CD 3.44Å; E326-K340 WeakPolarHBondContact OE2-CE 3.19Å; E326-K340 IonicContact OE2-NZ 3.49Å; E326-K340 PolarHBondContact OE2-NZ 3.42Å; E326-K342 HydrophobicContact CG-CG 4.35Å; E326-K342 WeakPolarHBondContact OE1-CE 3.45Å; E326-K342 IonicContact OE1-NZ 3.4Å
327	I	88.1	Confident	79.4	Confident	4 Å²	4	83.9 Å²	83.9	2%	0.021	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.4	175.4	-62.7	-179.1	0	0	0	109.7	Y325 K341 I343 A811 D813	Y325-I327 HydrophobicContact CD1-CG1 3.87Å; Y325-I327 HydrophobicContact CE1-CG1 4.18Å; I327-K341 HydrophobicContact CB-CB 4.29Å; I327-K341 PolarHBondContact N-O 3.22Å; I327-K341 PolarHBondContact O-N 3.4Å; I327-K341 VanDerWaalsContact O-N 3.08Å; I327-I343 HydrophobicContact CD1-CD1 3.68Å; I327-I343 HydrophobicContact CD1-CG1 3.97Å; I327-I343 HydrophobicContact CD1-CG2 4.04Å; I327-I343 HydrophobicContact CG1-CD1 4.29Å; I327-I343 HydrophobicContact CG1-CG1 4.22Å; I327-A811 HydrophobicContact CG2-CB 3.78Å; I327-D813 HydrophobicContact CD1-CB 3.71Å
328	L	84.6	Confident	77.6	Confident	72 Å²	72	89 Å²	89	38%	0.377	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.6	179.2	-63.7	174.4	0	0	0	110.9	F330 T810 L817	L328-F330 HydrophobicContact CB-CE2 4.49Å; L328-T810 CarbonylContact O-C 3.59Å; L328-T810 PolarHBondContact O-OG1 2.8Å; L328-T810 VanDerWaalsContact O-OG1 3.08Å; L328-L817 HydrophobicContact CD1-CD2 4.4Å
329	K	82.8	Confident	76.1	Confident	49 Å²	49	87.7 Å²	87.7	21%	0.213	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.2	173.6	-69.3	-165.2	169.4	-162.3	0	112.8	G339 K341 A811 D841	K329-G339 WeakPolarHBondContact CA-O 3.43Å; K329-G339 WeakPolarHBondContact CB-O 3.43Å; K329-G339 PolarHBondContact N-O 3.08Å; K329-G339 PolarHBondContact O-N 2.96Å; K329-K341 HydrophobicContact CD-CB 4.2Å; K329-A811 HydrophobicContact CG-CB 4.18Å; K329-D841 WeakPolarHBondContact CA-OD1 3.43Å; K329-D841 WeakPolarHBondContact CB-OD1 3.32Å
330	F	80.5	Confident	75	Confident	93 Å²	93	93 Å²	93	41%	0.408	46%	0.46	S	S	.	.			trans	-128.1	-2.5	-177.9	-49.1	-92.9	0	0	0	113.5	L328 D332 T810 P840 D841	L328-F330 HydrophobicContact CB-CE2 4.49Å; F330-D332 PolarHBondContact O-N 3.05Å; F330-T810 HydrophobicContact CE2-CG2 3.97Å; F330-P840 HydrophobicContact CD2-CB 3.84Å; F330-P840 HydrophobicContact CE2-CB 4.34Å; F330-D841 WeakPolarHBondContact CA-OD2 3.3Å; F330-D841 VanDerWaalsContact CB-OD2 3.27Å; F330-D841 WeakPolarHBondContact CB-OD2 3.35Å; F330-D841 VanDerWaalsContact N-CG 3.31Å; F330-D841 PolarHBondContact N-OD1 2.88Å; F330-D841 PolarHBondContact N-OD2 3.02Å
331	D	68.5	Low	74.5	Confident	96 Å²	96	92.8 Å²	92.8	51%	0.513	45%	0.453	S	S	.	.			trans	-54	-25.4	-177.8	-74	-33	0	0	0	114.6	V333 D841 K848	D331-V333 PolarHBondContact O-N 2.93Å; D331-V333 VanDerWaalsContact O-N 3.1Å; D331-D841 VanDerWaalsContact CG-CG 3.4Å; D331-D841 PolarHBondContact N-OD1 3.32Å; D331-D841 PolarHBondContact N-OD2 2.76Å; D331-D841 VanDerWaalsContact N-OD2 3.12Å; D331-D841 WeakPolarHBondContact OD1-CB 3.33Å; D331-K848 IonicContact OD2-NZ 2.78Å; D331-K848 PolarHBondContact OD2-NZ 2.95Å
332	D	55.7	Low	74.2	Confident	98 Å²	98	94.7 Å²	94.7	52%	0.524	46%	0.456	S	S	.	.			trans	-89	68.9	-171.8	-126.4	-21.2	0	0	0	112.9	F330 R334 E335	F330-D332 PolarHBondContact O-N 3.05Å; D332-R334 PolarHBondContact O-N 3.17Å; D332-E335 PolarHBondContact O-N 3.16Å
333	V	54.5	Low	73.9	Confident	134 Å²	134	95.6 Å²	95.6	81%	0.812	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.4	-179.8	-161.4	0	0	0	0	112.9	D331	D331-V333 PolarHBondContact O-N 2.93Å; D331-V333 VanDerWaalsContact O-N 3.1Å
334	R	55.9	Low	73.9	Confident	240 Å²	240	95.6 Å²	95.6	91%	0.906	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-22.5	-178.3	-64.8	-171.8	-173.2	-170.2	3.7	113.9	D332	D332-R334 PolarHBondContact O-N 3.17Å
335	E	54	Low	73.9	Confident	119 Å²	119	92.2 Å²	92.2	56%	0.556	43%	0.434	S	S	*	.	S	Bend	trans	-112.6	126.7	170.6	-69.4	-164.5	175	0	0	108.7	D332 K337	D332-E335 PolarHBondContact O-N 3.16Å; E335-K337 PolarHBondContact O-N 3.13Å
336	F	55.7	Low	74.1	Confident	224 Å²	224	89.9 Å²	89.9	98%	0.982	43%	0.425	S	S	*	.	S	Bend	trans	-67	34.9	173.2	-100.4	-88.5	0	0	0	113.1
337	K	55.5	Low	74.3	Confident	155 Å²	155	87.6 Å²	87.6	67%	0.674	42%	0.415	S	S	*	.	S	Bend	trans	-123.5	126.4	177.1	-68.8	-179.7	-178.7	170.5	0	108.3	E335 G339	E335-K337 PolarHBondContact O-N 3.13Å; K337-G339 PolarHBondContact O-N 3.06Å
338	N	58.1	Low	74.6	Confident	107 Å²	107	87.5 Å²	87.5	57%	0.572	42%	0.415	S	S	*	.			trans	-53.6	119.7	165.6	-64.1	-9	0	0	0	108.1	K340	N338-K340 PolarHBondContact O-N 3.35Å
339	G	64.6	Low	75	Confident	28 Å²	28	85.1 Å²	85.1	29%	0.289	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	119.3	174.5	0	0	0	0	0	108.7	K329 K337	K329-G339 WeakPolarHBondContact CA-O 3.43Å; K329-G339 WeakPolarHBondContact CB-O 3.43Å; K329-G339 PolarHBondContact N-O 3.08Å; K329-G339 PolarHBondContact O-N 2.96Å; K337-G339 PolarHBondContact O-N 3.06Å
340	K	71.4	Confident	75.4	Confident	119 Å²	119	85.2 Å²	85.2	52%	0.517	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	106.3	170.2	-70.9	-179.2	167.5	-161.1	0	108.3	E326 N338 K342	E326-K340 WeakPolarHBondContact OE2-CD 3.44Å; E326-K340 WeakPolarHBondContact OE2-CE 3.19Å; E326-K340 IonicContact OE2-NZ 3.49Å; E326-K340 PolarHBondContact OE2-NZ 3.42Å; N338-K340 PolarHBondContact O-N 3.35Å; K340-K342 PolarHBondContact O-N 3.28Å
341	K	81.1	Confident	75.3	Confident	66 Å²	66	86.9 Å²	86.9	29%	0.287	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	114	169.3	-177.9	-179.3	177.7	-178.3	0	107.6	I327 K329 I343	I327-K341 HydrophobicContact CB-CB 4.29Å; I327-K341 PolarHBondContact N-O 3.22Å; I327-K341 PolarHBondContact O-N 3.4Å; I327-K341 VanDerWaalsContact O-N 3.08Å; K329-K341 HydrophobicContact CD-CB 4.2Å; K341-I343 HydrophobicContact CD-CG2 4.38Å; K341-I343 HydrophobicContact CG-CG2 4.19Å
342	K	86.6	Confident	75.9	Confident	139 Å²	139	85 Å²	85	60%	0.604	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	127	174.9	-64.8	-169.3	178.6	-168.6	0	109.6	T324 Y325 E326 K340	T324-K342 HydrophobicContact CG2-CB 3.7Å; T324-K342 HydrophobicContact CG2-CD 4.17Å; T324-K342 HydrophobicContact CG2-CG 4.15Å; Y325-K342 WeakPolarHBondContact O-CA 3.39Å; E326-K342 HydrophobicContact CG-CG 4.35Å; E326-K342 WeakPolarHBondContact OE1-CE 3.45Å; E326-K342 IonicContact OE1-NZ 3.4Å; K340-K342 PolarHBondContact O-N 3.28Å
343	I	88.5	Confident	77	Confident	24 Å²	24	84 Å²	84	12%	0.123	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.7	173.3	63.8	158.6	0	0	0	110.3	T324 Y325 I327 K341 Y345 D813	T324-I343 CarbonylContact C-O 3.49Å; T324-I343 VanDerWaalsContact CA-O 3.28Å; T324-I343 WeakPolarHBondContact CA-O 3.47Å; Y325-I343 PolarHBondContact N-O 3.26Å; Y325-I343 PolarHBondContact O-N 3.08Å; I327-I343 HydrophobicContact CD1-CD1 3.68Å; I327-I343 HydrophobicContact CD1-CG1 3.97Å; I327-I343 HydrophobicContact CD1-CG2 4.04Å; I327-I343 HydrophobicContact CG1-CD1 4.29Å; I327-I343 HydrophobicContact CG1-CG1 4.22Å; K341-I343 HydrophobicContact CD-CG2 4.38Å; K341-I343 HydrophobicContact CG-CG2 4.19Å; I343-Y345 HydrophobicContact CD1-CD2 4.25Å; I343-D813 HydrophobicContact CD1-CB 4.44Å
344	K	92.1	Very high	78.4	Confident	43 Å²	43	84.4 Å²	84.4	19%	0.187	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.8	170.3	-72.8	-72.8	-174.5	157.2	0	108.5	E319 V322 S323	E319-K344 HydrophobicContact CB-CD 4.18Å; E319-K344 HydrophobicContact CB-CG 4.14Å; E319-K344 PolarHBondContact O-NZ 2.87Å; E319-K344 WeakPolarHBondContact OE1-CB 3.35Å; V322-K344 HydrophobicContact CB-CD 4.2Å; V322-K344 HydrophobicContact CG1-CB 4.02Å; V322-K344 HydrophobicContact CG1-CD 4.3Å; V322-K344 VanDerWaalsContact O-CD 3.31Å; V322-K344 WeakPolarHBondContact O-CD 3.11Å; V322-K344 PolarHBondContact O-NZ 2.73Å; S323-K344 WeakPolarHBondContact O-CA 3.28Å
345	Y	93.4	Very high	80.2	Confident	3 Å²	3	73 Å²	73	1%	0.012	36%	0.36	C	S	.	.			trans	-151	123.8	-175.7	-166.4	-83.5	0	0	0	111	W290 S323 I343 M347 Y768 T770 N814 H816	W290-Y345 HydrophobicContact CD2-CD2 4.18Å; W290-Y345 HydrophobicContact CD2-CE2 4.31Å; W290-Y345 AromaticContact CE3-CD2 3.71Å; W290-Y345 HydrophobicContact CE3-CD2 3.71Å; W290-Y345 AromaticContact CE3-CE2 3.78Å; W290-Y345 HydrophobicContact CE3-CE2 3.78Å; W290-Y345 HydrophobicContact CH2-CD2 4.04Å; W290-Y345 AromaticContact CH2-CE2 3.24Å; W290-Y345 HydrophobicContact CH2-CE2 3.24Å; W290-Y345 AromaticContact CH2-CZ 3.98Å; W290-Y345 HydrophobicContact CZ2-CD2 4.42Å; W290-Y345 AromaticContact CZ2-CE2 3.77Å; W290-Y345 HydrophobicContact CZ2-CE2 3.77Å; W290-Y345 AromaticContact CZ3-CD2 3.64Å; W290-Y345 HydrophobicContact CZ3-CD2 3.64Å; W290-Y345 AromaticContact CZ3-CE2 3.22Å; W290-Y345 HydrophobicContact CZ3-CE2 3.22Å; W290-Y345 AromaticContact CZ3-CZ 3.98Å; S323-Y345 PolarHBondContact O-N 3.2Å; I343-Y345 HydrophobicContact CD1-CD2 4.25Å; Y345-M347 HydrophobicContact CD1-CE 4.38Å; Y345-M347 HydrophobicContact CD1-CG 3.71Å; Y345-M347 HydrophobicContact CE1-CG 3.9Å; Y345-Y768 WeakPolarHBondContact CE1-O 3.41Å; Y345-T770 PolarHBondContact OH-N 3.21Å; Y345-T770 VanDerWaalsContact OH-N 3.15Å; Y345-N814 PolarHBondContact OH-O 2.97Å; Y345-H816 AromaticContact CD1-CE1 3.6Å; Y345-H816 AromaticContact CD2-CE1 3.36Å; Y345-H816 WeakPolarHBondContact CD2-CE1 3.29Å; Y345-H816 AromaticContact CD2-NE2 3.84Å; Y345-H816 AromaticContact CE1-CE1 3.54Å; Y345-H816 AromaticContact CE1-ND1 3.97Å; Y345-H816 AromaticContact CE2-CE1 3.26Å; Y345-H816 WeakPolarHBondContact CE2-CE1 3.45Å; Y345-H816 AromaticContact CE2-NE2 3.94Å; Y345-H816 AromaticContact CG-CE1 3.51Å; Y345-H816 AromaticContact CZ-CE1 3.37Å; Y345-H816 AromaticContact CZ-ND1 3.87Å
346	S	93.7	Very high	82	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.007	34%	0.339	C	S	.	.			trans	-95.2	104.5	-177.7	51.6	0	0	0	0	110.9	N355 T770 T771	S346-N355 WeakPolarHBondContact CB-O 3.01Å; S346-T770 CarbonylContact O-C 3.55Å; S346-T770 VanDerWaalsContact O-CA 3.29Å; S346-T770 WeakPolarHBondContact O-CA 3.38Å; S346-T771 PolarHBondContact O-N 2.77Å; S346-T771 PolarHBondContact OG-OG1 2.72Å; S346-T771 VanDerWaalsContact OG-OG1 3.08Å
347	M	94.9	Very high	83.9	Confident	25 Å²	25	57.8 Å²	57.8	12%	0.123	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-86.2	135.8	-178.8	-65.7	-175.3	-170	0	0	111.9	Y325 Y345 G349 E350 N355 R767 Y768	Y325-M347 HydrophobicContact CD2-CE 3.26Å; Y325-M347 HydrophobicContact CE2-CE 3.7Å; Y325-M347 HydrophobicContact CG-CE 4.21Å; Y345-M347 HydrophobicContact CD1-CE 4.38Å; Y345-M347 HydrophobicContact CD1-CG 3.71Å; Y345-M347 HydrophobicContact CE1-CG 3.9Å; M347-G349 VanDerWaalsContact C-N 3.26Å; M347-G349 PolarHBondContact O-N 3.25Å; M347-E350 HydrophobicContact CB-CG 3.94Å; M347-E350 PolarHBondContact N-OE2 3.41Å; M347-E350 PolarHBondContact O-N 2.97Å; M347-N355 PolarHBondContact O-ND2 3.33Å; M347-R767 WeakPolarHBondContact CB-O 3.39Å; M347-Y768 HydrophobicContact SD-CD1 3.82Å
348	A	95.1	Very high	85.7	Confident	3 Å²	3	53.2 Å²	53.2	3%	0.025	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.4	-177.3	0	0	0	0	0	114.6	R767 Y769 E775 F781 Y788	A348-R767 PolarHBondContact N-O 2.94Å; A348-Y769 PolarHBondContact N-O 2.83Å; A348-E775 HydrophobicContact CB-CG 4.27Å; A348-F781 WeakPolarHBondContact O-CB 3.25Å; A348-Y788 HydrophobicContact CB-CE1 4.03Å
349	G	93	Very high	87.5	Confident	22 Å²	22	48.2 Å²	48.2	23%	0.227	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.3	179.7	0	0	0	0	0	115.3	M347 R767	M347-G349 VanDerWaalsContact C-N 3.26Å; M347-G349 PolarHBondContact O-N 3.25Å; G349-R767 PolarHBondContact N-O 3.32Å
350	E	91.1	Very high	89.1	Confident	50 Å²	50	49 Å²	49	23%	0.234	25%	0.252	C	S	.	.			trans	-67.9	142.2	175.2	-73	172.6	155.5	0	0	110.8	S323 M347 S352 N355	S323-E350 WeakPolarHBondContact CB-OE1 3.13Å; S323-E350 VanDerWaalsContact OG-CD 3.23Å; S323-E350 PolarHBondContact OG-OE1 2.93Å; S323-E350 PolarHBondContact OG-OE2 2.86Å; M347-E350 HydrophobicContact CB-CG 3.94Å; M347-E350 PolarHBondContact N-OE2 3.41Å; M347-E350 PolarHBondContact O-N 2.97Å; E350-S352 VanDerWaalsContact C-N 3.26Å; E350-S352 PolarHBondContact O-N 3.12Å; E350-N355 WeakPolarHBondContact OE2-CB 3.3Å; E350-N355 PolarHBondContact OE2-ND2 3.04Å
351	T	78	Confident	90.3	Very high	129 Å²	129	43.6 Å²	43.6	79%	0.791	23%	0.229	S	C	*	.	S	Bend	trans	-75.5	-17.4	179.9	51.6	0	0	0	0	112.9	L353	T351-L353 PolarHBondContact O-N 2.92Å
352	S	81.2	Confident	91.1	Very high	56 Å²	56	42.5 Å²	42.5	39%	0.392	22%	0.223	S	C	.	.			trans	-68.6	117.5	177.8	177.8	0	0	0	0	110.5	E350 Y354 N355	E350-S352 VanDerWaalsContact C-N 3.26Å; E350-S352 PolarHBondContact O-N 3.12Å; S352-Y354 PolarHBondContact O-N 3.36Å; S352-Y354 VanDerWaalsContact O-N 3.14Å; S352-Y354 PolarHBondContact OG-N 2.98Å; S352-N355 PolarHBondContact O-OD1 2.83Å
353	L	79.4	Confident	91.7	Very high	78 Å²	78	35.9 Å²	35.9	41%	0.408	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.9	177.2	-70.8	169.6	0	0	0	113.5	T351 R404 I782	T351-L353 PolarHBondContact O-N 2.92Å; L353-R404 PolarHBondContact O-NH1 2.79Å; L353-I782 HydrophobicContact CD2-CG2 4.11Å
354	Y	84.2	Confident	92.1	Very high	141 Å²	141	35.1 Å²	35.1	55%	0.553	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.9	42.7	-173.6	-56.9	-72.4	0	0	0	112.1	N321 S352	N321-Y354 WeakPolarHBondContact CB-O 3.26Å; S352-Y354 PolarHBondContact O-N 3.36Å; S352-Y354 VanDerWaalsContact O-N 3.14Å; S352-Y354 PolarHBondContact OG-N 2.98Å
355	N	92.1	Very high	92.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.188	C	C	.	.			trans	-91.1	9.3	-175.8	71.3	-34.1	0	0	0	115.3	S346 M347 E350 S352 R404	S346-N355 WeakPolarHBondContact CB-O 3.01Å; M347-N355 PolarHBondContact O-ND2 3.33Å; E350-N355 WeakPolarHBondContact OE2-CB 3.3Å; E350-N355 PolarHBondContact OE2-ND2 3.04Å; S352-N355 PolarHBondContact O-OD1 2.83Å; N355-R404 PolarHBondContact OD1-NH2 3.22Å
356	S	92.7	Very high	92.4	Very high	16 Å²	16	36.1 Å²	36.1	11%	0.112	20%	0.197	C	C	.	.	S	Bend	trans	-105.8	152.3	176.4	-61.2	0	0	0	0	110.8	V358 T771	S356-V358 PolarHBondContact O-N 3.21Å; S356-T771 PolarHBondContact OG-OG1 3.09Å
357	P	94.5	Very high	92.4	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.052	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-56.2	133.9	177.6	-19.7	28.3	0	0	0	112.1	L291 Y292 F317 D318 E319 V322	L291-P357 HydrophobicContact CB-CG 4.36Å; L291-P357 VanDerWaalsContact CD2-CD 3.43Å; L291-P357 HydrophobicContact CD2-CG 4.02Å; Y292-P357 HydrophobicContact CE2-CB 4.26Å; F317-P357 HydrophobicContact CB-CB 4.5Å; D318-P357 VanDerWaalsContact O-CA 3.29Å; D318-P357 WeakPolarHBondContact O-CA 3.24Å; E319-P357 HydrophobicContact CG-CB 4.39Å; E319-P357 HydrophobicContact CG-CG 4.42Å; V322-P357 HydrophobicContact CG2-CB 4.4Å; V322-P357 HydrophobicContact CG2-CG 3.9Å
358	V	95	Very high	92.3	Very high	59 Å²	59	47.5 Å²	47.5	36%	0.358	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.8	175	-179.4	0	0	0	0	109	D318 S356	D318-V358 HydrophobicContact CB-CB 4.35Å; D318-V358 PolarHBondContact N-O 2.97Å; D318-V358 PolarHBondContact O-N 3.37Å; S356-V358 PolarHBondContact O-N 3.21Å
359	V	96	Very high	92.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.2	-178.7	-170.6	0	0	0	0	111.4	Y292 A315 A316 F317 R376 L386 W401	Y292-V359 HydrophobicContact CE1-CG2 3.88Å; Y292-V359 HydrophobicContact CE2-CG2 3.77Å; Y292-V359 WeakPolarHBondContact OH-CG2 3.11Å; A315-V359 HydrophobicContact CB-CG1 4.13Å; A316-V359 WeakPolarHBondContact O-CA 3.09Å; F317-V359 HydrophobicContact CD1-CB 4.49Å; F317-V359 HydrophobicContact CD1-CG1 4.44Å; F317-V359 HydrophobicContact CD1-CG2 3.6Å; F317-V359 HydrophobicContact CE1-CB 4.45Å; F317-V359 HydrophobicContact CE1-CG1 4.1Å; F317-V359 HydrophobicContact CE1-CG2 3.56Å; V359-R376 PolarHBondContact O-NH2 2.93Å; V359-L386 HydrophobicContact CG1-CB 4.29Å; V359-L386 HydrophobicContact CG1-CD2 4.23Å; V359-W401 HydrophobicContact CB-CH2 4.12Å; V359-W401 HydrophobicContact CB-CZ3 4.19Å; V359-W401 HydrophobicContact CG1-CH2 4.19Å
360	T	96.8	Very high	92.2	Very high	44 Å²	44	56.7 Å²	56.7	27%	0.27	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.4	166.7	-57.3	0	0	0	0	109.1	A316 Y362 V373	A316-T360 PolarHBondContact N-O 3.33Å; A316-T360 PolarHBondContact O-N 2.88Å; T360-Y362 HydrophobicContact CG2-CD2 4.07Å; T360-Y362 HydrophobicContact CG2-CE1 4.4Å; T360-Y362 HydrophobicContact CG2-CE2 3.52Å; T360-V373 HydrophobicContact CG2-CG1 4.02Å
361	L	98	Very high	92.4	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.5	172.2	-72.3	174.8	0	0	0	109	W304 V314 A315 I374 L386 F397 H399 W401	W304-L361 HydrophobicContact CZ3-CD2 4.26Å; V314-L361 WeakPolarHBondContact O-CA 3.23Å; A315-L361 HydrophobicContact CB-CD2 4.03Å; L361-I374 HydrophobicContact CB-CB 3.84Å; L361-I374 HydrophobicContact CB-CD1 4.19Å; L361-I374 HydrophobicContact CB-CG1 4.45Å; L361-I374 HydrophobicContact CB-CG2 4.32Å; L361-I374 PolarHBondContact O-N 3Å; L361-L386 HydrophobicContact CD1-CD1 4.16Å; L361-L386 HydrophobicContact CD2-CD2 3.85Å; L361-F397 HydrophobicContact CD1-CE1 4.23Å; L361-H399 HydrophobicContact CD1-CB 4.28Å; L361-W401 HydrophobicContact CD1-CZ2 3.77Å; L361-W401 HydrophobicContact CG-CZ2 4.17Å
362	Y	97.7	Very high	93.2	Very high	43 Å²	43	53.4 Å²	53.4	17%	0.169	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	150.6	173.4	-69.1	-88	0	0	0	109.9	M278 A313 V314 A316 T360 F371 Q372 V373	M278-Y362 HydrophobicContact CE-CD1 4.14Å; M278-Y362 HydrophobicContact CE-CD2 4.3Å; M278-Y362 HydrophobicContact CE-CE1 3.81Å; M278-Y362 HydrophobicContact CE-CE2 3.98Å; M278-Y362 HydrophobicContact CE-CG 4.37Å; A313-Y362 CarbonylContact C-O 3.56Å; A313-Y362 WeakPolarHBondContact CA-O 3.49Å; V314-Y362 PolarHBondContact N-O 3.26Å; V314-Y362 PolarHBondContact O-N 3.01Å; A316-Y362 HydrophobicContact CB-CD2 3.73Å; A316-Y362 HydrophobicContact CB-CE2 3.54Å; T360-Y362 HydrophobicContact CG2-CD2 4.07Å; T360-Y362 HydrophobicContact CG2-CE1 4.4Å; T360-Y362 HydrophobicContact CG2-CE2 3.52Å; Y362-F371 HydrophobicContact CD1-CB 4.34Å; Y362-F371 HydrophobicContact CG-CD1 4.44Å; Y362-Q372 CarbonylContact C-O 3.49Å; Y362-Q372 VanDerWaalsContact CA-O 3.29Å; Y362-Q372 WeakPolarHBondContact CA-O 3.49Å; Y362-V373 HydrophobicContact CD1-CG2 3.94Å; Y362-V373 HydrophobicContact CE1-CG2 3.5Å
363	L	97.7	Very high	94	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.6	167.3	-169.6	77.8	0	0	0	109	Y311 A313 F371 Q372 I374 W391 F414 Q416	Y311-L363 HydrophobicContact CD1-CD2 3.87Å; Y311-L363 HydrophobicContact CD1-CG 4.3Å; Y311-L363 HydrophobicContact CE1-CD2 4.4Å; Y311-L363 HydrophobicContact CG-CD2 4.32Å; A313-L363 HydrophobicContact CB-CD1 4.24Å; L363-F371 CarbonylContact O-C 3.55Å; L363-F371 WeakPolarHBondContact O-CA 3.4Å; L363-Q372 HydrophobicContact CB-CG 3.83Å; L363-Q372 HydrophobicContact CD2-CG 4.48Å; L363-Q372 PolarHBondContact N-O 2.62Å; L363-Q372 PolarHBondContact O-N 2.87Å; L363-I374 HydrophobicContact CB-CD1 4.14Å; L363-I374 HydrophobicContact CB-CG1 4.01Å; L363-I374 HydrophobicContact CD1-CD1 4.41Å; L363-W391 HydrophobicContact CD1-CH2 3.44Å; L363-W391 VanDerWaalsContact CD1-CH2 3.44Å; L363-W391 HydrophobicContact CD1-CZ2 3.48Å; L363-W391 VanDerWaalsContact CD1-CZ2 3.48Å; L363-F414 HydrophobicContact CD2-CE1 4.08Å; L363-Q416 HydrophobicContact CD2-CG 4.25Å
364	Y	97.4	Very high	94.9	Very high	9 Å²	9	51 Å²	51	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.4	169.3	-172.8	-104.3	0	0	0	109.9	L259 L274 Y311 L312 M366 M369 F371	L259-Y364 HydrophobicContact CD1-CE1 4.04Å; L274-Y364 HydrophobicContact CD1-CD1 3.94Å; L274-Y364 HydrophobicContact CD1-CD2 4.11Å; L274-Y364 HydrophobicContact CD1-CE1 3.94Å; L274-Y364 HydrophobicContact CD1-CE2 4.12Å; L274-Y364 HydrophobicContact CD1-CG 4.01Å; L274-Y364 HydrophobicContact CD2-CE1 3.99Å; L274-Y364 HydrophobicContact CD2-CE2 3.86Å; L274-Y364 VanDerWaalsContact CD2-CZ 3.47Å; L274-Y364 WeakPolarHBondContact CD2-OH 3.48Å; L274-Y364 HydrophobicContact CG-CE2 4.42Å; Y311-Y364 WeakPolarHBondContact CA-O 3.25Å; L312-Y364 PolarHBondContact N-O 3.03Å; L312-Y364 PolarHBondContact O-N 2.68Å; Y364-M366 HydrophobicContact CD1-CG 4.38Å; Y364-M366 HydrophobicContact CD1-SD 3.78Å; Y364-M366 HydrophobicContact CE1-CG 4.46Å; Y364-M366 HydrophobicContact CE1-SD 3.57Å; Y364-M366 VanDerWaalsContact CE1-SD 3.57Å; Y364-M369 VanDerWaalsContact OH-CA 3.3Å; Y364-M369 WeakPolarHBondContact OH-CA 3.4Å; Y364-M369 WeakPolarHBondContact OH-CB 3.48Å; Y364-F371 HydrophobicContact CD2-CD1 4.01Å; Y364-F371 AromaticContact CD2-CD2 3.83Å; Y364-F371 HydrophobicContact CD2-CD2 3.83Å; Y364-F371 AromaticContact CD2-CE1 3.98Å; Y364-F371 HydrophobicContact CD2-CE1 3.98Å; Y364-F371 AromaticContact CD2-CE2 3.75Å; Y364-F371 HydrophobicContact CD2-CE2 3.75Å; Y364-F371 AromaticContact CD2-CG 3.97Å; Y364-F371 HydrophobicContact CD2-CG 3.97Å; Y364-F371 AromaticContact CD2-CZ 3.83Å; Y364-F371 HydrophobicContact CD2-CZ 3.83Å; Y364-F371 HydrophobicContact CE2-CD2 4.45Å; Y364-F371 HydrophobicContact CE2-CE2 4.34Å; Y364-F371 HydrophobicContact CG-CD1 4.38Å; Y364-F371 HydrophobicContact CG-CE1 4.15Å; Y364-F371 HydrophobicContact CG-CZ 4.24Å
365	D	96.3	Very high	95.5	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.1	173.1	172	-4.4	0	0	0	109.8	Y311 K367 T368 M369 N370	Y311-D365 HydrophobicContact CD1-CB 4.09Å; Y311-D365 HydrophobicContact CE1-CB 4.03Å; D365-K367 PolarHBondContact O-N 3.11Å; D365-K367 WeakPolarHBondContact OD1-CA 3.47Å; D365-K367 VanDerWaalsContact OD1-CB 3.29Å; D365-K367 WeakPolarHBondContact OD1-CB 2.87Å; D365-K367 PolarHBondContact OD1-N 2.76Å; D365-T368 VanDerWaalsContact CB-OG1 3.28Å; D365-T368 WeakPolarHBondContact CB-OG1 3.31Å; D365-T368 PolarHBondContact OD1-N 3.5Å; D365-T368 VanDerWaalsContact OD2-CG2 3.27Å; D365-T368 WeakPolarHBondContact OD2-CG2 3.47Å; D365-T368 PolarHBondContact OD2-OG1 3.28Å; D365-M369 VanDerWaalsContact O-CA 3.24Å; D365-M369 WeakPolarHBondContact O-CA 3.2Å; D365-M369 PolarHBondContact O-N 3.06Å; D365-N370 PolarHBondContact N-O 2.96Å
366	M	94.9	Very high	95.6	Very high	40 Å²	40	50 Å²	50	20%	0.197	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.8	-177.7	-68.1	-70.5	-67.2	0	0	113.7	L259 F261 W305 G309 N310 Y364	L259-M366 HydrophobicContact CD1-CE 3.89Å; L259-M366 HydrophobicContact CD1-SD 3.58Å; L259-M366 VanDerWaalsContact CD1-SD 3.58Å; F261-M366 HydrophobicContact CE1-CE 3.58Å; F261-M366 HydrophobicContact CZ-CE 3.85Å; W305-M366 HydrophobicContact CH2-CE 4.1Å; W305-M366 HydrophobicContact CH2-SD 3.8Å; W305-M366 HydrophobicContact CZ3-CE 4.3Å; W305-M366 HydrophobicContact CZ3-CG 4Å; W305-M366 HydrophobicContact CZ3-SD 3.78Å; G309-M366 WeakPolarHBondContact O-CG 3.36Å; N310-M366 VanDerWaalsContact O-CB 3.23Å; N310-M366 WeakPolarHBondContact O-CB 3.45Å; N310-M366 VanDerWaalsContact O-CG 3.28Å; N310-M366 WeakPolarHBondContact O-CG 3.43Å; N310-M366 PolarHBondContact O-N 2.88Å; Y364-M366 HydrophobicContact CD1-CG 4.38Å; Y364-M366 HydrophobicContact CD1-SD 3.78Å; Y364-M366 HydrophobicContact CE1-CG 4.46Å; Y364-M366 HydrophobicContact CE1-SD 3.57Å; Y364-M366 VanDerWaalsContact CE1-SD 3.57Å
367	K	94	Very high	95.8	Very high	189 Å²	189	49.6 Å²	49.6	82%	0.822	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-47.3	179.4	-176.8	-177.3	178	-176.9	0	111.3	D365 M369	D365-K367 PolarHBondContact O-N 3.11Å; D365-K367 WeakPolarHBondContact OD1-CA 3.47Å; D365-K367 VanDerWaalsContact OD1-CB 3.29Å; D365-K367 WeakPolarHBondContact OD1-CB 2.87Å; D365-K367 PolarHBondContact OD1-N 2.76Å; K367-M369 VanDerWaalsContact C-N 3.34Å
368	T	94.5	Very high	95.8	Very high	75 Å²	75	59.2 Å²	59.2	46%	0.46	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.4	179.5	59.9	0	0	0	0	112.9	D365 N370	D365-T368 VanDerWaalsContact CB-OG1 3.28Å; D365-T368 WeakPolarHBondContact CB-OG1 3.31Å; D365-T368 PolarHBondContact OD1-N 3.5Å; D365-T368 VanDerWaalsContact OD2-CG2 3.27Å; D365-T368 WeakPolarHBondContact OD2-CG2 3.47Å; D365-T368 PolarHBondContact OD2-OG1 3.28Å; T368-N370 PolarHBondContact O-N 3.33Å
369	M	90.9	Very high	95.7	Very high	111 Å²	111	62.1 Å²	62.1	55%	0.547	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.2	-176.1	-61.2	-172.9	-68.6	0	0	113.1	Y364 D365 K367	Y364-M369 VanDerWaalsContact OH-CA 3.3Å; Y364-M369 WeakPolarHBondContact OH-CA 3.4Å; Y364-M369 WeakPolarHBondContact OH-CB 3.48Å; D365-M369 VanDerWaalsContact O-CA 3.24Å; D365-M369 WeakPolarHBondContact O-CA 3.2Å; D365-M369 PolarHBondContact O-N 3.06Å; K367-M369 VanDerWaalsContact C-N 3.34Å
370	N	93.7	Very high	95.7	Very high	107 Å²	107	62.4 Å²	62.4	57%	0.572	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.4	-176	-77.9	-28.1	0	0	0	111.7	D365 T368	D365-N370 PolarHBondContact N-O 2.96Å; T368-N370 PolarHBondContact O-N 3.33Å
371	F	95.3	Very high	95.6	Very high	49 Å²	49	62.4 Å²	62.4	22%	0.215	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	144.6	168.9	-78.3	-74.5	0	0	0	111.5	L274 T275 M278 V314 Y362 L363 Y364	L274-F371 HydrophobicContact CB-CE2 3.88Å; L274-F371 HydrophobicContact CB-CZ 4.12Å; L274-F371 HydrophobicContact CD1-CZ 4.28Å; T275-F371 HydrophobicContact CG2-CE2 4.29Å; T275-F371 HydrophobicContact CG2-CZ 4.39Å; M278-F371 HydrophobicContact SD-CD2 3.62Å; M278-F371 HydrophobicContact SD-CE2 3.7Å; M278-F371 HydrophobicContact SD-CG 4.27Å; M278-F371 HydrophobicContact SD-CZ 4.38Å; V314-F371 HydrophobicContact CB-CE1 4.36Å; V314-F371 HydrophobicContact CG2-CE1 4.08Å; Y362-F371 HydrophobicContact CD1-CB 4.34Å; Y362-F371 HydrophobicContact CG-CD1 4.44Å; L363-F371 CarbonylContact O-C 3.55Å; L363-F371 WeakPolarHBondContact O-CA 3.4Å; Y364-F371 HydrophobicContact CD2-CD1 4.01Å; Y364-F371 AromaticContact CD2-CD2 3.83Å; Y364-F371 HydrophobicContact CD2-CD2 3.83Å; Y364-F371 AromaticContact CD2-CE1 3.98Å; Y364-F371 HydrophobicContact CD2-CE1 3.98Å; Y364-F371 AromaticContact CD2-CE2 3.75Å; Y364-F371 HydrophobicContact CD2-CE2 3.75Å; Y364-F371 AromaticContact CD2-CG 3.97Å; Y364-F371 HydrophobicContact CD2-CG 3.97Å; Y364-F371 AromaticContact CD2-CZ 3.83Å; Y364-F371 HydrophobicContact CD2-CZ 3.83Å; Y364-F371 HydrophobicContact CE2-CD2 4.45Å; Y364-F371 HydrophobicContact CE2-CE2 4.34Å; Y364-F371 HydrophobicContact CG-CD1 4.38Å; Y364-F371 HydrophobicContact CG-CE1 4.15Å; Y364-F371 HydrophobicContact CG-CZ 4.24Å
372	Q	95.3	Very high	95.4	Very high	62 Å²	62	66.1 Å²	66.1	29%	0.29	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.7	161.5	63.7	179.6	39.4	0	0	109.8	Y362 L363	Y362-Q372 CarbonylContact C-O 3.49Å; Y362-Q372 VanDerWaalsContact CA-O 3.29Å; Y362-Q372 WeakPolarHBondContact CA-O 3.49Å; L363-Q372 HydrophobicContact CB-CG 3.83Å; L363-Q372 HydrophobicContact CD2-CG 4.48Å; L363-Q372 PolarHBondContact N-O 2.62Å; L363-Q372 PolarHBondContact O-N 2.87Å
373	V	97.2	Very high	95.1	Very high	76 Å²	76	66.4 Å²	66.4	46%	0.461	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.8	174.9	177.2	0	0	0	0	108.9	T360 Y362 P375	T360-V373 HydrophobicContact CG2-CG1 4.02Å; Y362-V373 HydrophobicContact CD1-CG2 3.94Å; Y362-V373 HydrophobicContact CE1-CG2 3.5Å; V373-P375 WeakPolarHBondContact O-CD 3.26Å
374	I	98	Very high	95	Very high	7 Å²	7	66.5 Å²	66.5	4%	0.036	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-75.1	116.7	167.9	-68.5	175.4	0	0	0	107.5	L361 L363 R376 F397 F414	L361-I374 HydrophobicContact CB-CB 3.84Å; L361-I374 HydrophobicContact CB-CD1 4.19Å; L361-I374 HydrophobicContact CB-CG1 4.45Å; L361-I374 HydrophobicContact CB-CG2 4.32Å; L361-I374 PolarHBondContact O-N 3Å; L363-I374 HydrophobicContact CB-CD1 4.14Å; L363-I374 HydrophobicContact CB-CG1 4.01Å; L363-I374 HydrophobicContact CD1-CD1 4.41Å; I374-R376 PolarHBondContact O-N 2.91Å; I374-F397 HydrophobicContact CD1-CD1 3.82Å; I374-F397 HydrophobicContact CD1-CE1 4.01Å; I374-F414 HydrophobicContact CB-CD2 4.44Å; I374-F414 HydrophobicContact CB-CG 4.45Å; I374-F414 HydrophobicContact CD1-CD1 4.09Å; I374-F414 HydrophobicContact CD1-CE1 4.39Å; I374-F414 HydrophobicContact CG1-CD1 4Å; I374-F414 HydrophobicContact CG1-CD2 4.46Å; I374-F414 HydrophobicContact CG1-CE1 4.02Å; I374-F414 HydrophobicContact CG1-CE2 4.45Å; I374-F414 HydrophobicContact CG1-CG 4.23Å; I374-F414 HydrophobicContact CG1-CZ 4.24Å; I374-F414 HydrophobicContact CG2-CB 3.76Å; I374-F414 HydrophobicContact CG2-CD1 4.23Å; I374-F414 HydrophobicContact CG2-CD2 3.75Å; I374-F414 HydrophobicContact CG2-CE2 4.4Å; I374-F414 HydrophobicContact CG2-CG 3.62Å
375	P	97	Very high	94.8	Very high	48 Å²	48	66.3 Å²	66.3	31%	0.312	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-61.5	134.4	-176.3	-23.5	34.5	0	0	0	111.8	V373 S421	V373-P375 WeakPolarHBondContact O-CD 3.26Å; P375-S421 WeakPolarHBondContact O-CB 3.26Å; P375-S421 PolarHBondContact O-OG 2.95Å
376	R	96	Very high	94.8	Very high	72 Å²	72	65 Å²	65	27%	0.272	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-85.2	126	171.4	-174.1	-173	-65.8	-142.8	2.2	109.6	V359 I374 I380 P381 S382 W401	V359-R376 PolarHBondContact O-NH2 2.93Å; I374-R376 PolarHBondContact O-N 2.91Å; R376-I380 HydrophobicContact CG-CB 3.94Å; R376-I380 HydrophobicContact CG-CD1 4.42Å; R376-I380 HydrophobicContact CG-CG2 4.1Å; R376-P381 PolarHBondContact NH1-O 2.71Å; R376-S382 PolarHBondContact NH1-O 3Å; R376-W401 VanDerWaalsContact NH2-CZ3 3.3Å
377	P	95.3	Very high	94.7	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.058	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-55	142.4	171.3	-22.6	27	0	0	0	112.6	Q379 I380 T412 V423	P377-Q379 PolarHBondContact O-N 2.85Å; P377-Q379 VanDerWaalsContact O-N 3.1Å; P377-I380 HydrophobicContact CB-CD1 4.25Å; P377-I380 HydrophobicContact CG-CD1 3.97Å; P377-I380 PolarHBondContact O-N 2.57Å; P377-T412 HydrophobicContact CG-CG2 3.34Å; P377-V423 HydrophobicContact CB-CG2 3.96Å; P377-V423 HydrophobicContact CG-CG2 4.14Å
378	K	94.2	Very high	94.6	Very high	210 Å²	210	54.7 Å²	54.7	91%	0.913	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.2	-176.6	-65.2	-178.6	-179.7	177.3	0	114.1	I380	K378-I380 VanDerWaalsContact C-N 3.25Å; K378-I380 PolarHBondContact O-N 3.08Å
379	Q	94.2	Very high	94.5	Very high	120 Å²	120	51.3 Å²	51.3	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.8	179.5	-60	86.9	-20	0	0	112.7	P377 V423	P377-Q379 PolarHBondContact O-N 2.85Å; P377-Q379 VanDerWaalsContact O-N 3.1Å; Q379-V423 HydrophobicContact CB-CG2 4.45Å
380	I	95.7	Very high	94.7	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.036	25%	0.246	C	C	.	.	S	Bend	trans	-89.4	120.7	179.8	-62.8	162.5	0	0	0	107.7	R376 P377 K378 W401 W410 T412 V423	R376-I380 HydrophobicContact CG-CB 3.94Å; R376-I380 HydrophobicContact CG-CD1 4.42Å; R376-I380 HydrophobicContact CG-CG2 4.1Å; P377-I380 HydrophobicContact CB-CD1 4.25Å; P377-I380 HydrophobicContact CG-CD1 3.97Å; P377-I380 PolarHBondContact O-N 2.57Å; K378-I380 VanDerWaalsContact C-N 3.25Å; K378-I380 PolarHBondContact O-N 3.08Å; I380-W401 HydrophobicContact CD1-CB 4.09Å; I380-W401 VanDerWaalsContact CD1-CD1 3.42Å; I380-W401 HydrophobicContact CD1-CD2 4.48Å; I380-W401 HydrophobicContact CD1-CG 3.74Å; I380-W401 HydrophobicContact CG1-CB 4.28Å; I380-W401 HydrophobicContact CG1-CG 4.37Å; I380-W401 HydrophobicContact CG2-CB 3.86Å; I380-W401 HydrophobicContact CG2-CD2 3.98Å; I380-W401 HydrophobicContact CG2-CE3 4.16Å; I380-W401 HydrophobicContact CG2-CG 3.87Å; I380-W410 HydrophobicContact CG1-CB 4.28Å; I380-W410 HydrophobicContact CG1-CD2 4.23Å; I380-W410 HydrophobicContact CG1-CE3 4.28Å; I380-W410 HydrophobicContact CG1-CG 4.24Å; I380-T412 WeakPolarHBondContact CD1-OG1 3.46Å; I380-V423 HydrophobicContact CD1-CG2 4.43Å
381	P	94.8	Very high	94.7	Very high	43 Å²	43	43.2 Å²	43.2	28%	0.279	22%	0.222	S	C	.	.			trans	-55.6	154.1	177.4	-25.3	35	0	0	0	112.4	R376 D383 G384 N403 W410	R376-P381 PolarHBondContact NH1-O 2.71Å; P381-D383 WeakPolarHBondContact CB-OD1 3.48Å; P381-D383 PolarHBondContact O-N 2.92Å; P381-G384 PolarHBondContact O-N 3.14Å; P381-N403 HydrophobicContact CG-CB 4.3Å; P381-W410 HydrophobicContact CG-CH2 4.24Å
382	S	92.7	Very high	94.7	Very high	85 Å²	85	40.9 Å²	40.9	59%	0.594	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.7	177.3	50.3	0	0	0	0	113	R376 G384	R376-S382 PolarHBondContact NH1-O 3Å; S382-G384 VanDerWaalsContact C-N 3.29Å
383	D	92.5	Very high	94.7	Very high	48 Å²	48	40.4 Å²	40.4	26%	0.257	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	14	173.5	69.5	-22.7	0	0	0	113.2	P381 R404	P381-D383 WeakPolarHBondContact CB-OD1 3.48Å; P381-D383 PolarHBondContact O-N 2.92Å; D383-R404 WeakPolarHBondContact OD2-CB 3.41Å; D383-R404 WeakPolarHBondContact OD2-CD 3.05Å
384	G	94.4	Very high	94.5	Very high	3 Å²	3	39 Å²	39	3%	0.031	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-62.6	142.8	174.6	0	0	0	0	0	112.1	P381 S382 W401 T402	P381-G384 PolarHBondContact O-N 3.14Å; S382-G384 VanDerWaalsContact C-N 3.29Å; G384-W401 WeakPolarHBondContact O-CZ3 3.15Å; G384-T402 CarbonylContact C-O 3.54Å; G384-T402 WeakPolarHBondContact CA-O 3.41Å
385	L	94.5	Very high	94.4	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.6	-177.5	-53.1	174.8	0	0	0	110	Y292 I296 W401 T402 Q406	Y292-L385 WeakPolarHBondContact OH-CA 3.43Å; Y292-L385 WeakPolarHBondContact OH-CD2 3.44Å; I296-L385 HydrophobicContact CD1-CB 4.27Å; I296-L385 HydrophobicContact CD1-CD1 4.06Å; I296-L385 HydrophobicContact CD1-CD2 4.05Å; I296-L385 HydrophobicContact CD1-CG 4.35Å; L385-W401 VanDerWaalsContact C-CE3 3.5Å; L385-W401 CarbonylContact O-C 3.54Å; L385-W401 WeakPolarHBondContact O-CA 3.34Å; L385-T402 PolarHBondContact N-O 2.94Å; L385-T402 PolarHBondContact O-N 2.9Å; L385-Q406 HydrophobicContact CD1-CG 4.03Å
386	L	95	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.7	170.9	-179.5	73.6	0	0	0	109.6	Y292 I296 L297 W304 A315 V359 L361 H399 W401	Y292-L386 HydrophobicContact CE1-CB 4.24Å; Y292-L386 WeakPolarHBondContact CE1-O 3.46Å; I296-L386 WeakPolarHBondContact CG2-O 3.45Å; L297-L386 WeakPolarHBondContact CD2-O 3.39Å; W304-L386 HydrophobicContact CH2-CD2 4.1Å; A315-L386 HydrophobicContact CB-CD2 4.12Å; V359-L386 HydrophobicContact CG1-CB 4.29Å; V359-L386 HydrophobicContact CG1-CD2 4.23Å; L361-L386 HydrophobicContact CD1-CD1 4.16Å; L361-L386 HydrophobicContact CD2-CD2 3.85Å; L386-H399 HydrophobicContact CD1-CB 4.09Å; L386-W401 HydrophobicContact CB-CD2 4.5Å; L386-W401 HydrophobicContact CB-CE3 4.11Å; L386-W401 HydrophobicContact CB-CH2 4.05Å; L386-W401 HydrophobicContact CB-CZ2 4.45Å; L386-W401 HydrophobicContact CB-CZ3 3.87Å; L386-W401 HydrophobicContact CD1-CD2 4.32Å; L386-W401 HydrophobicContact CD1-CH2 4.32Å; L386-W401 HydrophobicContact CD1-CZ2 3.9Å
387	T	93	Very high	94.5	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-24.8	-179.4	65.9	0	0	0	0	113.9	I296 A400 T402 L436	I296-T387 HydrophobicContact CG2-CG2 4.09Å; T387-A400 PolarHBondContact N-O 2.97Å; T387-T402 HydrophobicContact CG2-CG2 3.72Å; T387-L436 WeakPolarHBondContact CB-O 3.38Å; T387-L436 PolarHBondContact OG1-O 2.66Å
388	M	91.6	Very high	94.5	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	149	178.3	168.7	-83.3	-75.4	0	0	110.5	L390 H399 A400 I411 L437 Q439 P444 M453	M388-L390 HydrophobicContact CG-CD2 4.39Å; M388-L390 HydrophobicContact SD-CD2 3.78Å; M388-L390 HydrophobicContact SD-CG 3.91Å; M388-H399 CarbonylContact O-C 3.51Å; M388-H399 WeakPolarHBondContact O-CA 3.3Å; M388-A400 HydrophobicContact CB-CB 4.11Å; M388-A400 HydrophobicContact CE-CB 3.82Å; M388-A400 PolarHBondContact O-N 3.43Å; M388-I411 HydrophobicContact CE-CG2 4.33Å; M388-L437 HydrophobicContact CB-CB 4.07Å; M388-L437 HydrophobicContact CB-CD1 4.31Å; M388-L437 HydrophobicContact CE-CD1 3.34Å; M388-L437 HydrophobicContact CG-CB 4.45Å; M388-L437 HydrophobicContact CG-CD1 4.09Å; M388-Q439 HydrophobicContact CB-CG 4.35Å; M388-P444 HydrophobicContact CE-CG 4.15Å; M388-M453 HydrophobicContact CE-CE 3.8Å; M388-M453 HydrophobicContact CE-SD 4.45Å
389	A	93.9	Very high	94.5	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	139	172.5	0	0	0	0	0	110	W304 F397 V398 H399	W304-A389 HydrophobicContact CD2-CB 3.94Å; W304-A389 HydrophobicContact CE3-CB 3.97Å; W304-A389 HydrophobicContact CH2-CB 3.89Å; W304-A389 HydrophobicContact CZ2-CB 3.87Å; W304-A389 HydrophobicContact CZ3-CB 3.93Å; W304-A389 PolarHBondContact NE1-O 2.98Å; A389-F397 HydrophobicContact CB-CE1 4.27Å; A389-F397 HydrophobicContact CB-CE2 4.25Å; A389-F397 HydrophobicContact CB-CZ 3.61Å; A389-V398 CarbonylContact C-O 3.48Å; A389-V398 WeakPolarHBondContact CA-O 3.46Å; A389-H399 HydrophobicContact CB-CB 4.13Å
390	L	93.5	Very high	94.6	Very high	29 Å²	29	18.6 Å²	18.6	15%	0.152	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	166.1	-179.3	59.8	81.4	0	0	0	111.3	M388 F397 V398 P444 I446	M388-L390 HydrophobicContact CG-CD2 4.39Å; M388-L390 HydrophobicContact SD-CD2 3.78Å; M388-L390 HydrophobicContact SD-CG 3.91Å; L390-F397 WeakPolarHBondContact O-CD2 3.3Å; L390-V398 HydrophobicContact CD1-CB 3.94Å; L390-V398 HydrophobicContact CD1-CG2 4.27Å; L390-V398 HydrophobicContact CG-CB 4.47Å; L390-V398 PolarHBondContact N-O 2.82Å; L390-V398 PolarHBondContact O-N 3.43Å; L390-V398 VanDerWaalsContact O-O 3.1Å; L390-P444 HydrophobicContact CD2-CG 3.72Å; L390-I446 HydrophobicContact CD1-CD1 3.66Å; L390-I446 HydrophobicContact CD1-CG1 3.44Å; L390-I446 VanDerWaalsContact CD1-CG1 3.44Å; L390-I446 HydrophobicContact CD2-CD1 4.35Å; L390-I446 HydrophobicContact CD2-CG1 4.23Å
391	W	95.4	Very high	94.5	Very high	18 Å²	18	18.5 Å²	18.5	7%	0.068	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.6	176.8	-70.4	96.2	0	0	0	111.9	W304 W305 Y311 A313 L363 F397	W304-W391 PolarHBondContact O-NE1 2.82Å; W305-W391 VanDerWaalsContact C-CD1 3.45Å; Y311-W391 HydrophobicContact CG-CH2 4.47Å; A313-W391 HydrophobicContact CB-CZ2 3.88Å; L363-W391 HydrophobicContact CD1-CH2 3.44Å; L363-W391 VanDerWaalsContact CD1-CH2 3.44Å; L363-W391 HydrophobicContact CD1-CZ2 3.48Å; L363-W391 VanDerWaalsContact CD1-CZ2 3.48Å; W391-F397 AromaticContact CD1-CD2 3.9Å; W391-F397 HydrophobicContact CD2-CB 4.23Å; W391-F397 AromaticContact CD2-CD2 3.54Å; W391-F397 HydrophobicContact CD2-CD2 3.54Å; W391-F397 HydrophobicContact CD2-CE2 4.35Å; W391-F397 HydrophobicContact CD2-CG 4.32Å; W391-F397 AromaticContact CE2-CD2 3.55Å; W391-F397 HydrophobicContact CE3-CB 3.79Å; W391-F397 HydrophobicContact CE3-CD2 4Å; W391-F397 HydrophobicContact CE3-CG 4.36Å; W391-F397 AromaticContact CG-CD2 3.84Å; W391-F397 HydrophobicContact CG-CD2 3.84Å; W391-F397 HydrophobicContact CG-CE2 4.37Å; W391-F397 HydrophobicContact CH2-CB 4.18Å; W391-F397 HydrophobicContact CZ2-CD2 4.09Å; W391-F397 HydrophobicContact CZ2-CG 4.48Å; W391-F397 HydrophobicContact CZ3-CB 3.8Å; W391-F397 AromaticContact NE1-CD2 3.71Å; W391-F397 AromaticContact NE1-CE2 3.77Å
392	M	94.9	Very high	94.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-87.1	-41.9	164.6	178.8	177.9	84.6	0	0	110.8	I396 I446 K448 Q451 I474	M392-I396 HydrophobicContact CB-CB 4.2Å; M392-I396 HydrophobicContact CB-CG2 3.98Å; M392-I396 HydrophobicContact CE-CB 3.72Å; M392-I396 HydrophobicContact CE-CG1 3.71Å; M392-I396 HydrophobicContact CE-CG2 3.73Å; M392-I396 PolarHBondContact N-O 3.3Å; M392-I396 HydrophobicContact SD-CG2 4.32Å; M392-I446 HydrophobicContact CB-CG2 4Å; M392-I446 HydrophobicContact CG-CG2 3.7Å; M392-K448 VanDerWaalsContact O-CD 3.23Å; M392-K448 WeakPolarHBondContact O-CD 3.25Å; M392-K448 WeakPolarHBondContact O-CE 3.17Å; M392-K448 VanDerWaalsContact O-CG 3.27Å; M392-K448 WeakPolarHBondContact O-CG 3.34Å; M392-Q451 HydrophobicContact CE-CB 4.32Å; M392-Q451 HydrophobicContact CE-CG 4Å; M392-Q451 HydrophobicContact SD-CB 3.95Å; M392-Q451 HydrophobicContact SD-CG 4.14Å; M392-I474 HydrophobicContact CB-CD1 4.46Å; M392-I474 HydrophobicContact CE-CG2 4.34Å; M392-I474 HydrophobicContact CG-CD1 4.27Å; M392-I474 HydrophobicContact SD-CB 3.79Å; M392-I474 HydrophobicContact SD-CD1 3.59Å; M392-I474 VanDerWaalsContact SD-CD1 3.59Å; M392-I474 HydrophobicContact SD-CG1 4.3Å; M392-I474 HydrophobicContact SD-CG2 3.78Å
393	N	94.6	Very high	94.7	Very high	52 Å²	52	13.4 Å²	13.4	28%	0.278	7%	0.072	S	C	.	.	S	Bend	trans	-161.2	-176.8	175.2	58.5	45	0	0	0	108.4	D395 I396	N393-D395 PolarHBondContact O-N 3.13Å; N393-D395 VanDerWaalsContact O-N 3.13Å; N393-D395 WeakPolarHBondContact OD1-CA 3.47Å; N393-D395 WeakPolarHBondContact OD1-CB 3.19Å; N393-D395 PolarHBondContact OD1-N 2.81Å; N393-I396 PolarHBondContact O-N 3.06Å; N393-I396 PolarHBondContact OD1-N 2.83Å
394	D	94.2	Very high	94.8	Very high	46 Å²	46	12 Å²	12	25%	0.246	6%	0.063	C	C	.	.	S	Bend	trans	-61.7	-17.8	-179.7	-87.5	9.5	0	0	0	116.1	S306 S308 N310 Y311	S306-D394 WeakPolarHBondContact CB-OD1 3.47Å; S306-D394 PolarHBondContact OG-OD1 2.95Å; S308-D394 WeakPolarHBondContact CB-OD1 3.42Å; S308-D394 WeakPolarHBondContact CB-OD2 3.01Å; S308-D394 PolarHBondContact N-OD1 3.35Å; S308-D394 PolarHBondContact OG-OD1 2.85Å; S308-D394 PolarHBondContact OG-OD2 2.75Å; N310-D394 PolarHBondContact ND2-OD2 2.81Å; Y311-D394 HydrophobicContact CD2-CB 4.48Å; Y311-D394 WeakPolarHBondContact CD2-O 3.41Å; Y311-D394 HydrophobicContact CE2-CB 4.42Å; Y311-D394 WeakPolarHBondContact CE2-O 3.4Å
395	D	95.7	Very high	94.8	Very high	38 Å²	38	13.5 Å²	13.5	20%	0.203	7%	0.07	C	C	.	.	S	Bend	trans	-95.8	-37.1	177.6	-171.9	65.1	0	0	0	112.4	N393 S415 Q416 S417	N393-D395 PolarHBondContact O-N 3.13Å; N393-D395 VanDerWaalsContact O-N 3.13Å; N393-D395 WeakPolarHBondContact OD1-CA 3.47Å; N393-D395 WeakPolarHBondContact OD1-CB 3.19Å; N393-D395 PolarHBondContact OD1-N 2.81Å; D395-S415 CarbonylContact O-C 3.57Å; D395-S415 WeakPolarHBondContact O-CA 3.18Å; D395-S415 PolarHBondContact OD2-OG 3.13Å; D395-Q416 PolarHBondContact O-N 2.88Å; D395-Q416 PolarHBondContact OD1-N 2.94Å; D395-S417 WeakPolarHBondContact OD1-CA 3.31Å; D395-S417 WeakPolarHBondContact OD1-CB 3.23Å; D395-S417 PolarHBondContact OD1-N 2.94Å; D395-S417 PolarHBondContact OD1-OG 3.27Å; D395-S417 PolarHBondContact OD2-OG 3.26Å
396	I	97.1	Very high	94.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.3	-167.2	-60.7	-60.1	0	0	0	111.1	M392 N393 V398 V413 F414 I474 I476	M392-I396 HydrophobicContact CB-CB 4.2Å; M392-I396 HydrophobicContact CB-CG2 3.98Å; M392-I396 HydrophobicContact CE-CB 3.72Å; M392-I396 HydrophobicContact CE-CG1 3.71Å; M392-I396 HydrophobicContact CE-CG2 3.73Å; M392-I396 PolarHBondContact N-O 3.3Å; M392-I396 HydrophobicContact SD-CG2 4.32Å; N393-I396 PolarHBondContact O-N 3.06Å; N393-I396 PolarHBondContact OD1-N 2.83Å; I396-V398 HydrophobicContact CG2-CG2 4.24Å; I396-V413 HydrophobicContact CD1-CG1 3.98Å; I396-V413 HydrophobicContact CG2-CG1 3.85Å; I396-V413 HydrophobicContact CG2-CG2 4.36Å; I396-F414 WeakPolarHBondContact CA-O 3.36Å; I396-I474 HydrophobicContact CG2-CG2 3.87Å; I396-I476 HydrophobicContact CD1-CG2 3.8Å; I396-I476 HydrophobicContact CG1-CG2 4.03Å
397	F	97.3	Very high	94.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.8	173.1	-175.3	-118.8	0	0	0	110	W304 A313 L361 I374 A389 L390 W391 H399 V413 F414	W304-F397 HydrophobicContact CB-CE2 4.17Å; W304-F397 HydrophobicContact CD2-CZ 4.42Å; W304-F397 HydrophobicContact CE3-CE2 4.48Å; W304-F397 AromaticContact CE3-CZ 3.93Å; W304-F397 HydrophobicContact CE3-CZ 3.93Å; W304-F397 HydrophobicContact CG-CE2 4.5Å; A313-F397 HydrophobicContact CB-CD1 4.46Å; A313-F397 HydrophobicContact CB-CD2 4.14Å; A313-F397 HydrophobicContact CB-CE1 3.93Å; A313-F397 HydrophobicContact CB-CE2 3.57Å; A313-F397 HydrophobicContact CB-CZ 3.41Å; A313-F397 VanDerWaalsContact CB-CZ 3.41Å; L361-F397 HydrophobicContact CD1-CE1 4.23Å; I374-F397 HydrophobicContact CD1-CD1 3.82Å; I374-F397 HydrophobicContact CD1-CE1 4.01Å; A389-F397 HydrophobicContact CB-CE1 4.27Å; A389-F397 HydrophobicContact CB-CE2 4.25Å; A389-F397 HydrophobicContact CB-CZ 3.61Å; L390-F397 WeakPolarHBondContact O-CD2 3.3Å; W391-F397 AromaticContact CD1-CD2 3.9Å; W391-F397 HydrophobicContact CD2-CB 4.23Å; W391-F397 AromaticContact CD2-CD2 3.54Å; W391-F397 HydrophobicContact CD2-CD2 3.54Å; W391-F397 HydrophobicContact CD2-CE2 4.35Å; W391-F397 HydrophobicContact CD2-CG 4.32Å; W391-F397 AromaticContact CE2-CD2 3.55Å; W391-F397 HydrophobicContact CE3-CB 3.79Å; W391-F397 HydrophobicContact CE3-CD2 4Å; W391-F397 HydrophobicContact CE3-CG 4.36Å; W391-F397 AromaticContact CG-CD2 3.84Å; W391-F397 HydrophobicContact CG-CD2 3.84Å; W391-F397 HydrophobicContact CG-CE2 4.37Å; W391-F397 HydrophobicContact CH2-CB 4.18Å; W391-F397 HydrophobicContact CZ2-CD2 4.09Å; W391-F397 HydrophobicContact CZ2-CG 4.48Å; W391-F397 HydrophobicContact CZ3-CB 3.8Å; W391-F397 AromaticContact NE1-CD2 3.71Å; W391-F397 AromaticContact NE1-CE2 3.77Å; F397-H399 AromaticContact CD1-CD2 3.79Å; F397-H399 HydrophobicContact CE1-CB 4.31Å; F397-V413 CarbonylContact O-C 3.48Å; F397-F414 HydrophobicContact CB-CB 4.34Å; F397-F414 HydrophobicContact CB-CD1 4.15Å; F397-F414 PolarHBondContact N-O 3.15Å; F397-F414 PolarHBondContact O-N 3.08Å
398	V	95.6	Very high	95	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.5	-178.5	-170.8	0	0	0	0	109.4	A389 L390 I396 I411 T412 V413 F424 M453 I474	A389-V398 CarbonylContact C-O 3.48Å; A389-V398 WeakPolarHBondContact CA-O 3.46Å; L390-V398 HydrophobicContact CD1-CB 3.94Å; L390-V398 HydrophobicContact CD1-CG2 4.27Å; L390-V398 HydrophobicContact CG-CB 4.47Å; L390-V398 PolarHBondContact N-O 2.82Å; L390-V398 PolarHBondContact O-N 3.43Å; L390-V398 VanDerWaalsContact O-O 3.1Å; I396-V398 HydrophobicContact CG2-CG2 4.24Å; V398-I411 HydrophobicContact CG1-CG2 3.73Å; V398-T412 WeakPolarHBondContact CA-O 3.17Å; V398-T412 WeakPolarHBondContact CG1-O 3.2Å; V398-V413 HydrophobicContact CG2-CG2 4.34Å; V398-F424 HydrophobicContact CG1-CE1 4.21Å; V398-F424 HydrophobicContact CG1-CZ 4.44Å; V398-M453 HydrophobicContact CB-CE 4.25Å; V398-M453 HydrophobicContact CG1-CE 3.49Å; V398-M453 VanDerWaalsContact CG1-CE 3.49Å; V398-I474 HydrophobicContact CG2-CD1 4.29Å; V398-I474 HydrophobicContact CG2-CG2 4.07Å
399	H	94.9	Very high	95.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.8	179.4	58.2	74.7	0	0	0	112	L361 L386 M388 A389 F397 W401 T412	L361-H399 HydrophobicContact CD1-CB 4.28Å; L386-H399 HydrophobicContact CD1-CB 4.09Å; M388-H399 CarbonylContact O-C 3.51Å; M388-H399 WeakPolarHBondContact O-CA 3.3Å; A389-H399 HydrophobicContact CB-CB 4.13Å; F397-H399 AromaticContact CD1-CD2 3.79Å; F397-H399 HydrophobicContact CE1-CB 4.31Å; H399-W401 AromaticContact CE1-CD1 3.99Å; H399-W401 AromaticContact CE1-NE1 3.26Å; H399-W401 PolarHBondContact CE1-NE1 3.36Å; H399-W401 VanDerWaalsContact CE1-NE1 3.26Å; H399-W401 AromaticContact CG-NE1 3.9Å; H399-W401 AromaticContact ND1-CD1 3.39Å; H399-W401 AromaticContact ND1-CE2 3.96Å; H399-W401 AromaticContact ND1-NE1 2.81Å; H399-W401 PolarHBondContact ND1-NE1 2.69Å; H399-T412 WeakPolarHBondContact CE1-CB 2.85Å; H399-T412 WeakPolarHBondContact CE1-CG2 3.08Å; H399-T412 PolarHBondContact N-O 3.01Å; H399-T412 WeakPolarHBondContact O-CB 3.36Å; H399-T412 PolarHBondContact O-N 3.05Å
400	A	94.6	Very high	95.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.7	-178.9	0	0	0	0	0	112.1	T387 M388 W410 I411 L436	T387-A400 PolarHBondContact N-O 2.97Å; M388-A400 HydrophobicContact CB-CB 4.11Å; M388-A400 HydrophobicContact CE-CB 3.82Å; M388-A400 PolarHBondContact O-N 3.43Å; A400-W410 CarbonylContact C-O 3.54Å; A400-W410 VanDerWaalsContact CA-O 3.24Å; A400-W410 WeakPolarHBondContact CA-O 3.13Å; A400-I411 HydrophobicContact CB-CG1 4.28Å; A400-L436 HydrophobicContact CB-CD1 4.49Å
401	W	95.4	Very high	95.4	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.015	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.9	-178.9	-63.4	84.1	0	0	0	110.5	V359 L361 R376 I380 G384 L385 L386 H399 G409 W410	V359-W401 HydrophobicContact CB-CH2 4.12Å; V359-W401 HydrophobicContact CB-CZ3 4.19Å; V359-W401 HydrophobicContact CG1-CH2 4.19Å; L361-W401 HydrophobicContact CD1-CZ2 3.77Å; L361-W401 HydrophobicContact CG-CZ2 4.17Å; R376-W401 VanDerWaalsContact NH2-CZ3 3.3Å; I380-W401 HydrophobicContact CD1-CB 4.09Å; I380-W401 VanDerWaalsContact CD1-CD1 3.42Å; I380-W401 HydrophobicContact CD1-CD2 4.48Å; I380-W401 HydrophobicContact CD1-CG 3.74Å; I380-W401 HydrophobicContact CG1-CB 4.28Å; I380-W401 HydrophobicContact CG1-CG 4.37Å; I380-W401 HydrophobicContact CG2-CB 3.86Å; I380-W401 HydrophobicContact CG2-CD2 3.98Å; I380-W401 HydrophobicContact CG2-CE3 4.16Å; I380-W401 HydrophobicContact CG2-CG 3.87Å; G384-W401 WeakPolarHBondContact O-CZ3 3.15Å; L385-W401 VanDerWaalsContact C-CE3 3.5Å; L385-W401 CarbonylContact O-C 3.54Å; L385-W401 WeakPolarHBondContact O-CA 3.34Å; L386-W401 HydrophobicContact CB-CD2 4.5Å; L386-W401 HydrophobicContact CB-CE3 4.11Å; L386-W401 HydrophobicContact CB-CH2 4.05Å; L386-W401 HydrophobicContact CB-CZ2 4.45Å; L386-W401 HydrophobicContact CB-CZ3 3.87Å; L386-W401 HydrophobicContact CD1-CD2 4.32Å; L386-W401 HydrophobicContact CD1-CH2 4.32Å; L386-W401 HydrophobicContact CD1-CZ2 3.9Å; H399-W401 AromaticContact CE1-CD1 3.99Å; H399-W401 AromaticContact CE1-NE1 3.26Å; H399-W401 PolarHBondContact CE1-NE1 3.36Å; H399-W401 VanDerWaalsContact CE1-NE1 3.26Å; H399-W401 AromaticContact CG-NE1 3.9Å; H399-W401 AromaticContact ND1-CD1 3.39Å; H399-W401 AromaticContact ND1-CE2 3.96Å; H399-W401 AromaticContact ND1-NE1 2.81Å; H399-W401 PolarHBondContact ND1-NE1 2.69Å; W401-G409 CarbonylContact O-C 3.53Å; W401-G409 VanDerWaalsContact O-CA 3.23Å; W401-G409 WeakPolarHBondContact O-CA 3.24Å; W401-W410 HydrophobicContact CB-CE3 4.48Å; W401-W410 PolarHBondContact N-O 2.8Å; W401-W410 PolarHBondContact O-N 2.68Å
402	T	95.6	Very high	95.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	161	163.3	61	0	0	0	0	110.3	G384 L385 T387 Q406 R408 L436	G384-T402 CarbonylContact C-O 3.54Å; G384-T402 WeakPolarHBondContact CA-O 3.41Å; L385-T402 PolarHBondContact N-O 2.94Å; L385-T402 PolarHBondContact O-N 2.9Å; T387-T402 HydrophobicContact CG2-CG2 3.72Å; T402-Q406 HydrophobicContact CG2-CG 4.47Å; T402-Q406 WeakPolarHBondContact OG1-CG 3.27Å; T402-R408 CarbonylContact C-O 3.53Å; T402-R408 WeakPolarHBondContact CA-O 3.46Å; T402-R408 WeakPolarHBondContact CB-O 3.41Å; T402-L436 HydrophobicContact CG2-CB 4.47Å
403	N	95.5	Very high	95.5	Very high	21 Å²	21	16.9 Å²	16.9	11%	0.112	8%	0.079	C	C	.	.			trans	-71.3	167.1	162.8	67.2	-28.1	0	0	0	109.5	P381 I405 Q406 N407 R408 W410	P381-N403 HydrophobicContact CG-CB 4.3Å; N403-I405 WeakPolarHBondContact ND2-CG1 3.19Å; N403-I405 PolarHBondContact O-N 3.07Å; N403-Q406 WeakPolarHBondContact O-CA 3.4Å; N403-Q406 WeakPolarHBondContact O-CG 3.37Å; N403-Q406 PolarHBondContact O-N 3.03Å; N403-Q406 WeakPolarHBondContact OD1-CA 3.43Å; N403-Q406 PolarHBondContact OD1-N 3.42Å; N403-Q406 VanDerWaalsContact OD1-N 3.16Å; N403-N407 PolarHBondContact ND2-OD1 3.18Å; N403-N407 PolarHBondContact OD1-N 3.07Å; N403-N407 PolarHBondContact OD1-OD1 3.42Å; N403-R408 PolarHBondContact N-O 2.98Å; N403-R408 PolarHBondContact OD1-N 2.86Å; N403-R408 PolarHBondContact OD1-O 2.87Å; N403-W410 HydrophobicContact CB-CH2 4.09Å; N403-W410 HydrophobicContact CB-CZ3 4.05Å
404	R	93.9	Very high	95.6	Very high	18 Å²	18	14.4 Å²	14.4	7%	0.068	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-47.2	-176.4	-178.6	177.3	167.3	154.1	2.8	114.3	L353 N355 D383 Q406 E775	L353-R404 PolarHBondContact O-NH1 2.79Å; N355-R404 PolarHBondContact OD1-NH2 3.22Å; D383-R404 WeakPolarHBondContact OD2-CB 3.41Å; D383-R404 WeakPolarHBondContact OD2-CD 3.05Å; R404-Q406 PolarHBondContact O-N 2.03Å; R404-E775 WeakPolarHBondContact CD-OE2 3.19Å; R404-E775 VanDerWaalsContact CG-OE2 3.23Å; R404-E775 WeakPolarHBondContact CG-OE2 3.23Å; R404-E775 IonicContact CZ-OE1 2.86Å; R404-E775 IonicContact CZ-OE2 3.76Å; R404-E775 IonicContact NE-OE1 3.61Å; R404-E775 PolarHBondContact NE-OE1 3Å; R404-E775 IonicContact NE-OE2 3.72Å; R404-E775 PolarHBondContact NE-OE2 2.74Å; R404-E775 IonicContact NH2-OE1 2.62Å; R404-E775 PolarHBondContact NH2-OE1 3Å; R404-E775 IonicContact NH2-OE2 3.11Å
405	I	94.4	Very high	95.8	Very high	35 Å²	35	12.2 Å²	12.2	18%	0.179	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.1	176.8	67.3	168.5	0	0	0	113.8	N403 N407 E775 R780	N403-I405 WeakPolarHBondContact ND2-CG1 3.19Å; N403-I405 PolarHBondContact O-N 3.07Å; I405-N407 VanDerWaalsContact C-N 3.28Å; I405-N407 HydrophobicContact CD1-CB 4.38Å; I405-N407 HydrophobicContact CG1-CB 4.43Å; I405-N407 WeakPolarHBondContact CG1-OD1 2.99Å; I405-N407 PolarHBondContact O-N 3.15Å; I405-N407 VanDerWaalsContact O-N 3.17Å; I405-E775 HydrophobicContact CG2-CB 4.3Å; I405-R780 HydrophobicContact CG2-CG 3.6Å
406	Q	95.3	Very high	95.8	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.028	5%	0.051	C	C	.	.	S	Bend	trans	58.7	29.3	172.8	-64.9	165.4	78	0	0	115.6	L385 T402 N403 R404 W433 V434 A772 R776	L385-Q406 HydrophobicContact CD1-CG 4.03Å; T402-Q406 HydrophobicContact CG2-CG 4.47Å; T402-Q406 WeakPolarHBondContact OG1-CG 3.27Å; N403-Q406 WeakPolarHBondContact O-CA 3.4Å; N403-Q406 WeakPolarHBondContact O-CG 3.37Å; N403-Q406 PolarHBondContact O-N 3.03Å; N403-Q406 WeakPolarHBondContact OD1-CA 3.43Å; N403-Q406 PolarHBondContact OD1-N 3.42Å; N403-Q406 VanDerWaalsContact OD1-N 3.16Å; R404-Q406 PolarHBondContact O-N 2.03Å; Q406-W433 CarbonylContact O-C 3.54Å; Q406-W433 WeakPolarHBondContact O-CA 3.28Å; Q406-V434 PolarHBondContact O-N 2.93Å; Q406-A772 PolarHBondContact NE2-O 3.43Å; Q406-R776 HydrophobicContact CB-CB 4.49Å; Q406-R776 HydrophobicContact CB-CG 4.15Å
407	N	95.6	Very high	95.7	Very high	15 Å²	15	16 Å²	16	8%	0.08	8%	0.081	C	C	.	.	S	Bend	trans	-94.9	-3.6	171.2	75.8	-22.2	0	0	0	113	N403 I405 G428 Y429 G432 V434	N403-N407 PolarHBondContact ND2-OD1 3.18Å; N403-N407 PolarHBondContact OD1-N 3.07Å; N403-N407 PolarHBondContact OD1-OD1 3.42Å; I405-N407 VanDerWaalsContact C-N 3.28Å; I405-N407 HydrophobicContact CD1-CB 4.38Å; I405-N407 HydrophobicContact CG1-CB 4.43Å; I405-N407 WeakPolarHBondContact CG1-OD1 2.99Å; I405-N407 PolarHBondContact O-N 3.15Å; I405-N407 VanDerWaalsContact O-N 3.17Å; N407-G428 CarbonylContact O-C 3.58Å; N407-G428 WeakPolarHBondContact O-CA 3.34Å; N407-Y429 PolarHBondContact ND2-O 2.98Å; N407-Y429 PolarHBondContact O-N 2.79Å; N407-G432 WeakPolarHBondContact CB-O 3.48Å; N407-V434 WeakPolarHBondContact O-CG2 3.18Å
408	R	96.3	Very high	95.7	Very high	101 Å²	101	19.3 Å²	19.3	38%	0.381	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.9	174.4	-66.8	178	179.1	151.5	2.9	109.7	T402 N403 W410 I427	T402-R408 CarbonylContact C-O 3.53Å; T402-R408 WeakPolarHBondContact CA-O 3.46Å; T402-R408 WeakPolarHBondContact CB-O 3.41Å; N403-R408 PolarHBondContact N-O 2.98Å; N403-R408 PolarHBondContact OD1-N 2.86Å; N403-R408 PolarHBondContact OD1-O 2.87Å; R408-W410 HydrophobicContact CB-CH2 3.89Å; R408-W410 HydrophobicContact CB-CZ2 4.19Å; R408-W410 HydrophobicContact CB-CZ3 4.34Å; R408-I427 CarbonylContact C-O 3.48Å; R408-I427 WeakPolarHBondContact CA-O 3.08Å
409	G	95.3	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.8	-179.2	0	0	0	0	0	112.5	W401 K426 I427 L436	W401-G409 CarbonylContact O-C 3.53Å; W401-G409 VanDerWaalsContact O-CA 3.23Å; W401-G409 WeakPolarHBondContact O-CA 3.24Å; G409-K426 WeakPolarHBondContact O-CA 3.44Å; G409-K426 WeakPolarHBondContact O-CG 3.31Å; G409-I427 PolarHBondContact N-O 2.95Å; G409-I427 PolarHBondContact O-N 3.23Å; G409-L436 VanDerWaalsContact CA-CD1 3.44Å
410	W	95.8	Very high	95.8	Very high	17 Å²	17	27.9 Å²	27.9	6%	0.064	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.7	-179.2	-60.1	-90.1	0	0	0	110	I380 P381 A400 W401 N403 R408 V423 F425	I380-W410 HydrophobicContact CG1-CB 4.28Å; I380-W410 HydrophobicContact CG1-CD2 4.23Å; I380-W410 HydrophobicContact CG1-CE3 4.28Å; I380-W410 HydrophobicContact CG1-CG 4.24Å; P381-W410 HydrophobicContact CG-CH2 4.24Å; A400-W410 CarbonylContact C-O 3.54Å; A400-W410 VanDerWaalsContact CA-O 3.24Å; A400-W410 WeakPolarHBondContact CA-O 3.13Å; W401-W410 HydrophobicContact CB-CE3 4.48Å; W401-W410 PolarHBondContact N-O 2.8Å; W401-W410 PolarHBondContact O-N 2.68Å; N403-W410 HydrophobicContact CB-CH2 4.09Å; N403-W410 HydrophobicContact CB-CZ3 4.05Å; R408-W410 HydrophobicContact CB-CH2 3.89Å; R408-W410 HydrophobicContact CB-CZ2 4.19Å; R408-W410 HydrophobicContact CB-CZ3 4.34Å; W410-V423 HydrophobicContact CB-CG1 4.21Å; W410-V423 HydrophobicContact CB-CG2 4.29Å; W410-V423 HydrophobicContact CG-CG1 4.39Å; W410-V423 HydrophobicContact CG-CG2 4.45Å; W410-F425 WeakPolarHBondContact CA-O 3.49Å
411	I	95.4	Very high	95.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.6	166.4	-48.3	174.9	0	0	0	107.6	M388 V398 A400 F424 F425 L436 M453 I455 L472	M388-I411 HydrophobicContact CE-CG2 4.33Å; V398-I411 HydrophobicContact CG1-CG2 3.73Å; A400-I411 HydrophobicContact CB-CG1 4.28Å; I411-F424 HydrophobicContact CB-CE1 3.99Å; I411-F424 HydrophobicContact CB-CZ 3.95Å; I411-F424 HydrophobicContact CG2-CE1 3.47Å; I411-F424 VanDerWaalsContact CG2-CE1 3.47Å; I411-F424 HydrophobicContact CG2-CE2 4.45Å; I411-F424 HydrophobicContact CG2-CZ 3.42Å; I411-F424 VanDerWaalsContact CG2-CZ 3.42Å; I411-F424 WeakPolarHBondContact O-CD1 3.42Å; I411-F424 PolarHBondContact O-N 2.99Å; I411-F425 HydrophobicContact CB-CB 4.2Å; I411-F425 HydrophobicContact CD1-CB 4.37Å; I411-F425 HydrophobicContact CD1-CD1 3.62Å; I411-F425 HydrophobicContact CD1-CE1 4.34Å; I411-F425 HydrophobicContact CD1-CG 4.32Å; I411-F425 HydrophobicContact CG1-CB 4.44Å; I411-F425 HydrophobicContact CG1-CD1 3.92Å; I411-F425 PolarHBondContact N-O 2.72Å; I411-F425 PolarHBondContact O-N 3.1Å; I411-L436 HydrophobicContact CD1-CD2 4.33Å; I411-L436 HydrophobicContact CG1-CD1 4.45Å; I411-L436 HydrophobicContact CG1-CD2 4.38Å; I411-M453 HydrophobicContact CD1-SD 4.28Å; I411-M453 HydrophobicContact CG2-CE 4.45Å; I411-M453 HydrophobicContact CG2-SD 4.43Å; I411-I455 HydrophobicContact CD1-CD1 3.6Å; I411-L472 HydrophobicContact CD1-CD1 3.87Å
412	T	96.1	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.3	-169.3	-54.9	0	0	0	0	109.7	P377 I380 V398 H399 W422	P377-T412 HydrophobicContact CG-CG2 3.34Å; I380-T412 WeakPolarHBondContact CD1-OG1 3.46Å; V398-T412 WeakPolarHBondContact CA-O 3.17Å; V398-T412 WeakPolarHBondContact CG1-O 3.2Å; H399-T412 WeakPolarHBondContact CE1-CB 2.85Å; H399-T412 WeakPolarHBondContact CE1-CG2 3.08Å; H399-T412 PolarHBondContact N-O 3.01Å; H399-T412 WeakPolarHBondContact O-CB 3.36Å; H399-T412 PolarHBondContact O-N 3.05Å; T412-W422 WeakPolarHBondContact CA-O 3.4Å; T412-W422 VanDerWaalsContact CG2-O 3.27Å; T412-W422 WeakPolarHBondContact CG2-O 3.44Å
413	V	96.7	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.4	168.3	164.3	0	0	0	0	108.5	I396 F397 V398 S421 W422 F424 I474	I396-V413 HydrophobicContact CD1-CG1 3.98Å; I396-V413 HydrophobicContact CG2-CG1 3.85Å; I396-V413 HydrophobicContact CG2-CG2 4.36Å; F397-V413 CarbonylContact O-C 3.48Å; V398-V413 HydrophobicContact CG2-CG2 4.34Å; V413-S421 CarbonylContact O-C 3.53Å; V413-S421 WeakPolarHBondContact O-CA 3.2Å; V413-S421 WeakPolarHBondContact O-CB 3.45Å; V413-W422 HydrophobicContact CB-CZ2 4.22Å; V413-W422 HydrophobicContact CG1-CH2 4Å; V413-W422 HydrophobicContact CG1-CZ2 3.64Å; V413-W422 PolarHBondContact N-O 3.24Å; V413-W422 PolarHBondContact O-N 3.29Å; V413-F424 HydrophobicContact CG2-CD1 3.75Å; V413-F424 HydrophobicContact CG2-CE1 3.71Å; V413-I474 HydrophobicContact CG2-CG2 3.58Å
414	F	97.9	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.3	158.8	168.1	-106	0	0	0	108.9	L363 I374 I396 F397 Q416 Q420 S421	L363-F414 HydrophobicContact CD2-CE1 4.08Å; I374-F414 HydrophobicContact CB-CD2 4.44Å; I374-F414 HydrophobicContact CB-CG 4.45Å; I374-F414 HydrophobicContact CD1-CD1 4.09Å; I374-F414 HydrophobicContact CD1-CE1 4.39Å; I374-F414 HydrophobicContact CG1-CD1 4Å; I374-F414 HydrophobicContact CG1-CD2 4.46Å; I374-F414 HydrophobicContact CG1-CE1 4.02Å; I374-F414 HydrophobicContact CG1-CE2 4.45Å; I374-F414 HydrophobicContact CG1-CG 4.23Å; I374-F414 HydrophobicContact CG1-CZ 4.24Å; I374-F414 HydrophobicContact CG2-CB 3.76Å; I374-F414 HydrophobicContact CG2-CD1 4.23Å; I374-F414 HydrophobicContact CG2-CD2 3.75Å; I374-F414 HydrophobicContact CG2-CE2 4.4Å; I374-F414 HydrophobicContact CG2-CG 3.62Å; I396-F414 WeakPolarHBondContact CA-O 3.36Å; F397-F414 HydrophobicContact CB-CB 4.34Å; F397-F414 HydrophobicContact CB-CD1 4.15Å; F397-F414 PolarHBondContact N-O 3.15Å; F397-F414 PolarHBondContact O-N 3.08Å; F414-Q416 HydrophobicContact CE1-CB 4.17Å; F414-Q420 WeakPolarHBondContact CA-O 3.41Å; F414-Q420 WeakPolarHBondContact CD2-O 3.19Å; F414-S421 WeakPolarHBondContact CD2-OG 3.31Å
415	S	97.5	Very high	96.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.8	170.3	169.3	0	0	0	0	110.3	D395 S417 L418 N419 Q420	D395-S415 CarbonylContact O-C 3.57Å; D395-S415 WeakPolarHBondContact O-CA 3.18Å; D395-S415 PolarHBondContact OD2-OG 3.13Å; S415-S417 PolarHBondContact OG-OG 3.08Å; S415-L418 PolarHBondContact OG-N 2.87Å; S415-N419 VanDerWaalsContact O-CA 3.29Å; S415-N419 WeakPolarHBondContact O-CA 3.24Å; S415-N419 PolarHBondContact O-N 3.26Å; S415-Q420 PolarHBondContact N-O 3.12Å; S415-Q420 PolarHBondContact O-N 3.17Å
416	Q	95.8	Very high	96.1	Very high	26 Å²	26	31.5 Å²	31.5	12%	0.121	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-42.7	-179.4	172	55.6	1.8	0	0	112.3	Y311 L363 D395 F414 L418 N419	Y311-Q416 HydrophobicContact CE1-CG 4.12Å; Y311-Q416 HydrophobicContact CE2-CG 4.16Å; L363-Q416 HydrophobicContact CD2-CG 4.25Å; D395-Q416 PolarHBondContact O-N 2.88Å; D395-Q416 PolarHBondContact OD1-N 2.94Å; F414-Q416 HydrophobicContact CE1-CB 4.17Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 3.3Å; Q416-N419 PolarHBondContact O-N 2.69Å
417	S	95.3	Very high	96.1	Very high	91 Å²	91	32.3 Å²	32.3	64%	0.636	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.8	178.6	56.5	0	0	0	0	113	D395 S415	D395-S417 WeakPolarHBondContact OD1-CA 3.31Å; D395-S417 WeakPolarHBondContact OD1-CB 3.23Å; D395-S417 PolarHBondContact OD1-N 2.94Å; D395-S417 PolarHBondContact OD1-OG 3.27Å; D395-S417 PolarHBondContact OD2-OG 3.26Å; S415-S417 PolarHBondContact OG-OG 3.08Å
418	L	96.6	Very high	96	Very high	69 Å²	69	33.4 Å²	33.4	36%	0.361	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.8	176.7	-60	-179	0	0	0	113.1	S415 Q416 Q420 W422 L477 P478	S415-L418 PolarHBondContact OG-N 2.87Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 3.3Å; L418-Q420 HydrophobicContact CB-CB 4.31Å; L418-Q420 WeakPolarHBondContact O-CG 3.32Å; L418-Q420 PolarHBondContact O-N 3.37Å; L418-W422 HydrophobicContact CD1-CH2 4.17Å; L418-W422 HydrophobicContact CD1-CZ3 4.27Å; L418-L477 HydrophobicContact CD1-CD2 4.34Å; L418-P478 HydrophobicContact CD1-CG 4.35Å
419	N	95.7	Very high	95.8	Very high	78 Å²	78	30 Å²	30	42%	0.417	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	46.1	-169.8	-168.8	25.9	0	0	0	112.6	S415 Q416	S415-N419 VanDerWaalsContact O-CA 3.29Å; S415-N419 WeakPolarHBondContact O-CA 3.24Å; S415-N419 PolarHBondContact O-N 3.26Å; Q416-N419 PolarHBondContact O-N 2.69Å
420	Q	96.7	Very high	95.6	Very high	103 Å²	103	37.3 Å²	37.3	48%	0.481	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151	-176	-75.2	-179.2	31.5	0	0	111.1	F414 S415 L418 W422	F414-Q420 WeakPolarHBondContact CA-O 3.41Å; F414-Q420 WeakPolarHBondContact CD2-O 3.19Å; S415-Q420 PolarHBondContact N-O 3.12Å; S415-Q420 PolarHBondContact O-N 3.17Å; L418-Q420 HydrophobicContact CB-CB 4.31Å; L418-Q420 WeakPolarHBondContact O-CG 3.32Å; L418-Q420 PolarHBondContact O-N 3.37Å; Q420-W422 HydrophobicContact CB-CE3 4.36Å; Q420-W422 HydrophobicContact CB-CZ3 4.22Å; Q420-W422 WeakPolarHBondContact O-CZ3 3.43Å
421	S	97.2	Very high	95.3	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.4	174.5	-49.9	0	0	0	0	111.9	P375 V413 F414	P375-S421 WeakPolarHBondContact O-CB 3.26Å; P375-S421 PolarHBondContact O-OG 2.95Å; V413-S421 CarbonylContact O-C 3.53Å; V413-S421 WeakPolarHBondContact O-CA 3.2Å; V413-S421 WeakPolarHBondContact O-CB 3.45Å; F414-S421 WeakPolarHBondContact CD2-OG 3.31Å
422	W	96.8	Very high	95.3	Very high	18 Å²	18	41.7 Å²	41.7	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.3	177	58.9	93.7	0	0	0	112.2	T412 V413 L418 Q420 P475 I476 L477 P478	T412-W422 WeakPolarHBondContact CA-O 3.4Å; T412-W422 VanDerWaalsContact CG2-O 3.27Å; T412-W422 WeakPolarHBondContact CG2-O 3.44Å; V413-W422 HydrophobicContact CB-CZ2 4.22Å; V413-W422 HydrophobicContact CG1-CH2 4Å; V413-W422 HydrophobicContact CG1-CZ2 3.64Å; V413-W422 PolarHBondContact N-O 3.24Å; V413-W422 PolarHBondContact O-N 3.29Å; L418-W422 HydrophobicContact CD1-CH2 4.17Å; L418-W422 HydrophobicContact CD1-CZ3 4.27Å; Q420-W422 HydrophobicContact CB-CE3 4.36Å; Q420-W422 HydrophobicContact CB-CZ3 4.22Å; Q420-W422 WeakPolarHBondContact O-CZ3 3.43Å; W422-P475 WeakPolarHBondContact CZ2-O 3.22Å; W422-I476 WeakPolarHBondContact CH2-O 3.19Å; W422-I476 WeakPolarHBondContact CZ2-O 3.38Å; W422-L477 VanDerWaalsContact CZ2-C 3.41Å; W422-L477 PolarHBondContact NE1-O 3.07Å; W422-P478 HydrophobicContact CD2-CB 4.11Å; W422-P478 HydrophobicContact CD2-CG 4.14Å; W422-P478 HydrophobicContact CE3-CB 4.15Å; W422-P478 HydrophobicContact CE3-CG 3.74Å; W422-P478 HydrophobicContact CG-CB 4.37Å; W422-P478 HydrophobicContact CH2-CG 4.26Å; W422-P478 HydrophobicContact CZ3-CG 3.81Å
423	V	96.7	Very high	95.2	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132	175	174.9	0	0	0	0	108.7	P377 Q379 I380 W410 F425 L482	P377-V423 HydrophobicContact CB-CG2 3.96Å; P377-V423 HydrophobicContact CG-CG2 4.14Å; Q379-V423 HydrophobicContact CB-CG2 4.45Å; I380-V423 HydrophobicContact CD1-CG2 4.43Å; W410-V423 HydrophobicContact CB-CG1 4.21Å; W410-V423 HydrophobicContact CB-CG2 4.29Å; W410-V423 HydrophobicContact CG-CG1 4.39Å; W410-V423 HydrophobicContact CG-CG2 4.45Å; V423-F425 WeakPolarHBondContact CG1-O 3.48Å; V423-L482 HydrophobicContact CB-CD2 4.49Å; V423-L482 HydrophobicContact CG1-CD2 3.72Å
424	F	95.7	Very high	95	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-17.1	173.9	72.3	-88.3	0	0	0	113.8	V398 I411 V413 L472 P475 Q483	V398-F424 HydrophobicContact CG1-CE1 4.21Å; V398-F424 HydrophobicContact CG1-CZ 4.44Å; I411-F424 HydrophobicContact CB-CE1 3.99Å; I411-F424 HydrophobicContact CB-CZ 3.95Å; I411-F424 HydrophobicContact CG2-CE1 3.47Å; I411-F424 VanDerWaalsContact CG2-CE1 3.47Å; I411-F424 HydrophobicContact CG2-CE2 4.45Å; I411-F424 HydrophobicContact CG2-CZ 3.42Å; I411-F424 VanDerWaalsContact CG2-CZ 3.42Å; I411-F424 WeakPolarHBondContact O-CD1 3.42Å; I411-F424 PolarHBondContact O-N 2.99Å; V413-F424 HydrophobicContact CG2-CD1 3.75Å; V413-F424 HydrophobicContact CG2-CE1 3.71Å; F424-L472 HydrophobicContact CE2-CB 4.06Å; F424-L472 HydrophobicContact CE2-CD1 4.27Å; F424-P475 HydrophobicContact CB-CG 3.49Å; F424-P475 VanDerWaalsContact CB-CG 3.49Å; F424-P475 HydrophobicContact CD1-CG 4.4Å; F424-P475 HydrophobicContact CG-CG 3.94Å; F424-Q483 PolarHBondContact O-N 3.2Å
425	F	95.6	Very high	94.2	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.035	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.1	175	179.6	-100.4	0	0	0	110.5	W410 I411 V423 I427 L457 L472 Q483	W410-F425 WeakPolarHBondContact CA-O 3.49Å; I411-F425 HydrophobicContact CB-CB 4.2Å; I411-F425 HydrophobicContact CD1-CB 4.37Å; I411-F425 HydrophobicContact CD1-CD1 3.62Å; I411-F425 HydrophobicContact CD1-CE1 4.34Å; I411-F425 HydrophobicContact CD1-CG 4.32Å; I411-F425 HydrophobicContact CG1-CB 4.44Å; I411-F425 HydrophobicContact CG1-CD1 3.92Å; I411-F425 PolarHBondContact N-O 2.72Å; I411-F425 PolarHBondContact O-N 3.1Å; V423-F425 WeakPolarHBondContact CG1-O 3.48Å; F425-I427 HydrophobicContact CE1-CB 3.99Å; F425-I427 HydrophobicContact CE1-CG2 4.28Å; F425-I427 HydrophobicContact CZ-CB 4.28Å; F425-L457 HydrophobicContact CE1-CD1 4.3Å; F425-L457 HydrophobicContact CE1-CD2 4.25Å; F425-L457 HydrophobicContact CE2-CD1 4.4Å; F425-L457 HydrophobicContact CZ-CD1 3.73Å; F425-L457 HydrophobicContact CZ-CD2 4.32Å; F425-L472 HydrophobicContact CB-CD1 4.02Å; F425-L472 HydrophobicContact CD1-CD1 4.05Å; F425-L472 HydrophobicContact CD2-CD1 4.01Å; F425-L472 HydrophobicContact CD2-CD2 3.7Å; F425-L472 HydrophobicContact CE2-CD2 4.01Å; F425-L472 HydrophobicContact CG-CD1 3.75Å; F425-L472 HydrophobicContact CG-CD2 4.28Å; F425-Q483 WeakPolarHBondContact CD2-O 3.38Å
426	K	95.1	Very high	93.2	Very high	97 Å²	97	44.4 Å²	44.4	42%	0.422	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.3	177.5	-178	-174.7	176.8	-171.1	0	109.5	G409 L482	G409-K426 WeakPolarHBondContact O-CA 3.44Å; G409-K426 WeakPolarHBondContact O-CG 3.31Å; K426-L482 HydrophobicContact CB-CD1 4.09Å; K426-L482 HydrophobicContact CD-CD1 4.5Å
427	I	93.9	Very high	91.6	Very high	24 Å²	24	43.3 Å²	43.3	12%	0.123	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.9	173.3	-170.8	165.3	0	0	0	109.1	R408 G409 F425 Y429 V434 L436 L457	R408-I427 CarbonylContact C-O 3.48Å; R408-I427 WeakPolarHBondContact CA-O 3.08Å; G409-I427 PolarHBondContact N-O 2.95Å; G409-I427 PolarHBondContact O-N 3.23Å; F425-I427 HydrophobicContact CE1-CB 3.99Å; F425-I427 HydrophobicContact CE1-CG2 4.28Å; F425-I427 HydrophobicContact CZ-CB 4.28Å; I427-Y429 HydrophobicContact CD1-CE2 4.21Å; I427-Y429 WeakPolarHBondContact CD1-OH 3.47Å; I427-Y429 HydrophobicContact CG1-CE2 3.98Å; I427-V434 HydrophobicContact CG2-CG1 3.45Å; I427-V434 VanDerWaalsContact CG2-CG1 3.45Å; I427-V434 HydrophobicContact CG2-CG2 4.23Å; I427-L436 HydrophobicContact CG2-CD1 4.07Å; I427-L436 HydrophobicContact CG2-CD2 4.04Å; I427-L436 HydrophobicContact CG2-CG 3.96Å; I427-L457 HydrophobicContact CD1-CD2 4.11Å
428	G	94	Very high	89.7	Confident	38 Å²	38	41.2 Å²	41.2	39%	0.392	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	159	176.5	0	0	0	0	0	113.5	N407	N407-G428 CarbonylContact O-C 3.58Å; N407-G428 WeakPolarHBondContact O-CA 3.34Å
429	Y	92.6	Very high	87.3	Confident	28 Å²	28	38.4 Å²	38.4	11%	0.11	20%	0.201	C	C	.	.			trans	-139.2	139.2	-171.3	-57	-71.1	0	0	0	111.1	N407 I427 T431 V434 P458 D460 R693	N407-Y429 PolarHBondContact ND2-O 2.98Å; N407-Y429 PolarHBondContact O-N 2.79Å; I427-Y429 HydrophobicContact CD1-CE2 4.21Å; I427-Y429 WeakPolarHBondContact CD1-OH 3.47Å; I427-Y429 HydrophobicContact CG1-CE2 3.98Å; Y429-T431 WeakPolarHBondContact CB-O 3.37Å; Y429-V434 HydrophobicContact CD2-CG2 3.51Å; Y429-V434 HydrophobicContact CE2-CG2 3.72Å; Y429-P458 WeakPolarHBondContact OH-CG 2.81Å; Y429-D460 WeakPolarHBondContact CE1-OD2 3.44Å; Y429-D460 PolarHBondContact OH-OD1 3.02Å; Y429-D460 PolarHBondContact OH-OD2 2.72Å; Y429-R693 VanDerWaalsContact CD1-CZ 3.47Å; Y429-R693 VanDerWaalsContact CD2-NH2 3.3Å; Y429-R693 VanDerWaalsContact CE1-CZ 3.47Å; Y429-R693 VanDerWaalsContact CE2-CZ 3.4Å; Y429-R693 VanDerWaalsContact CG-CZ 3.41Å; Y429-R693 VanDerWaalsContact CZ-CZ 3.42Å; Y429-R693 VanDerWaalsContact CZ-NH1 3.33Å
430	E	90.3	Very high	85	Confident	155 Å²	155	36.3 Å²	36.3	72%	0.724	19%	0.191	S	C	*	.	S	Bend	trans	-72.8	-34.5	171	-63.3	-56.5	145.3	0	0	111
431	T	90.8	Very high	82.8	Confident	107 Å²	107	34.1 Å²	34.1	66%	0.656	18%	0.183	S	C	*	.	S	Bend	trans	-121.1	131.8	175.1	57.7	0	0	0	0	111	Y429 R693	Y429-T431 WeakPolarHBondContact CB-O 3.37Å; T431-R693 PolarHBondContact O-NH2 2.72Å
432	G	93.7	Very high	81.1	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	90.1	-163.4	-178.6	0	0	0	0	0	114.1	N407 Q697	N407-G432 WeakPolarHBondContact CB-O 3.48Å; G432-Q697 VanDerWaalsContact CA-OE1 3.24Å
433	W	94	Very high	80.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.			trans	-126.5	168.7	-174.4	65.5	91.6	0	0	0	111.6	Q406 D435 P655 R693 E696 Q697 Y700 R776 Y777	Q406-W433 CarbonylContact O-C 3.54Å; Q406-W433 WeakPolarHBondContact O-CA 3.28Å; W433-D435 PolarHBondContact NE1-OD1 3.45Å; W433-D435 PolarHBondContact NE1-OD2 2.92Å; W433-P655 HydrophobicContact CH2-CB 4.29Å; W433-R693 PolarHBondContact O-NH1 3.12Å; W433-E696 HydrophobicContact CH2-CG 4.45Å; W433-E696 HydrophobicContact CZ2-CG 4.08Å; W433-E696 WeakPolarHBondContact CZ2-OE1 3.39Å; W433-Q697 HydrophobicContact CD2-CG 4.09Å; W433-Q697 HydrophobicContact CE3-CB 4.3Å; W433-Q697 HydrophobicContact CE3-CG 3.9Å; W433-Q697 HydrophobicContact CH2-CB 4.03Å; W433-Q697 HydrophobicContact CH2-CG 3.56Å; W433-Q697 HydrophobicContact CZ2-CG 3.71Å; W433-Q697 HydrophobicContact CZ3-CB 3.81Å; W433-Q697 HydrophobicContact CZ3-CG 3.64Å; W433-Q697 PolarHBondContact O-NE2 3.23Å; W433-Y700 HydrophobicContact CE3-CD2 4.1Å; W433-R776 HydrophobicContact CB-CG 3.78Å; W433-R776 HydrophobicContact CG-CG 3.92Å; W433-Y777 HydrophobicContact CD2-CD1 4.14Å; W433-Y777 AromaticContact CD2-CE1 3.91Å; W433-Y777 HydrophobicContact CD2-CE1 3.91Å; W433-Y777 AromaticContact CE2-CE1 3.79Å; W433-Y777 AromaticContact CE3-CD1 3.8Å; W433-Y777 HydrophobicContact CE3-CD1 3.8Å; W433-Y777 HydrophobicContact CE3-CE1 4.01Å; W433-Y777 HydrophobicContact CH2-CD1 4.02Å; W433-Y777 AromaticContact CH2-CE1 3.82Å; W433-Y777 HydrophobicContact CH2-CE1 3.82Å; W433-Y777 HydrophobicContact CZ2-CD1 4.38Å; W433-Y777 AromaticContact CZ2-CE1 3.75Å; W433-Y777 HydrophobicContact CZ2-CE1 3.75Å; W433-Y777 AromaticContact CZ3-CD1 3.74Å; W433-Y777 HydrophobicContact CZ3-CD1 3.74Å; W433-Y777 AromaticContact CZ3-CE1 3.97Å; W433-Y777 HydrophobicContact CZ3-CE1 3.97Å
434	V	92.5	Very high	79.8	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.024	21%	0.209	C	C	.	.			trans	-107.5	123.1	177.8	174.3	0	0	0	0	108.6	Q406 N407 I427 Y429 L436	Q406-V434 PolarHBondContact O-N 2.93Å; N407-V434 WeakPolarHBondContact O-CG2 3.18Å; I427-V434 HydrophobicContact CG2-CG1 3.45Å; I427-V434 VanDerWaalsContact CG2-CG1 3.45Å; I427-V434 HydrophobicContact CG2-CG2 4.23Å; Y429-V434 HydrophobicContact CD2-CG2 3.51Å; Y429-V434 HydrophobicContact CE2-CG2 3.72Å; V434-L436 HydrophobicContact CG1-CB 4.15Å; V434-L436 HydrophobicContact CG1-CD1 4.29Å; V434-L436 HydrophobicContact CG1-CG 3.6Å; V434-L436 PolarHBondContact O-N 2.94Å
435	D	82.5	Confident	79.6	Confident	47 Å²	47	41.3 Å²	41.3	25%	0.251	22%	0.218	S	C	.	.			trans	-94.7	67	171.5	-61.2	-50.1	0	0	0	110.3	W433 L437 R467	W433-D435 PolarHBondContact NE1-OD1 3.45Å; W433-D435 PolarHBondContact NE1-OD2 2.92Å; D435-L437 PolarHBondContact O-N 2.94Å; D435-R467 IonicContact OD2-CZ 3.43Å; D435-R467 IonicContact OD2-NH2 2.74Å; D435-R467 PolarHBondContact OD2-NH2 3.15Å
436	L	76.3	Confident	79.5	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	22%	0.224	C	C	.	.			trans	-76.5	94.3	170.4	-84.1	-176.9	0	0	0	108.9	T387 A400 T402 G409 I411 I427 V434 I455	T387-L436 WeakPolarHBondContact CB-O 3.38Å; T387-L436 PolarHBondContact OG1-O 2.66Å; A400-L436 HydrophobicContact CB-CD1 4.49Å; T402-L436 HydrophobicContact CG2-CB 4.47Å; G409-L436 VanDerWaalsContact CA-CD1 3.44Å; I411-L436 HydrophobicContact CD1-CD2 4.33Å; I411-L436 HydrophobicContact CG1-CD1 4.45Å; I411-L436 HydrophobicContact CG1-CD2 4.38Å; I427-L436 HydrophobicContact CG2-CD1 4.07Å; I427-L436 HydrophobicContact CG2-CD2 4.04Å; I427-L436 HydrophobicContact CG2-CG 3.96Å; V434-L436 HydrophobicContact CG1-CB 4.15Å; V434-L436 HydrophobicContact CG1-CD1 4.29Å; V434-L436 HydrophobicContact CG1-CG 3.6Å; V434-L436 PolarHBondContact O-N 2.94Å; L436-I455 HydrophobicContact CD2-CD1 4.27Å
437	L	61.7	Low	79.4	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	21%	0.207	C	C	.	.			trans	50.2	78.2	159.7	-48.6	170.4	0	0	0	112.6	M388 D435 Q439 V442 P444 I455	M388-L437 HydrophobicContact CB-CB 4.07Å; M388-L437 HydrophobicContact CB-CD1 4.31Å; M388-L437 HydrophobicContact CE-CD1 3.34Å; M388-L437 HydrophobicContact CG-CB 4.45Å; M388-L437 HydrophobicContact CG-CD1 4.09Å; D435-L437 PolarHBondContact O-N 2.94Å; L437-Q439 PolarHBondContact O-N 3.03Å; L437-V442 HydrophobicContact CD2-CB 4.07Å; L437-V442 HydrophobicContact CD2-CG1 3.75Å; L437-V442 WeakPolarHBondContact CD2-O 3.49Å; L437-P444 HydrophobicContact CD1-CB 4.33Å; L437-P444 HydrophobicContact CD1-CG 3.76Å; L437-I455 HydrophobicContact CD1-CD1 3.66Å; L437-I455 HydrophobicContact CD1-CG1 4.19Å; L437-I455 HydrophobicContact CD2-CD1 3.94Å; L437-I455 HydrophobicContact CD2-CG1 3.67Å; L437-I455 HydrophobicContact CG-CD1 3.97Å; L437-I455 HydrophobicContact CG-CG1 4.27Å
438	K	56.3	Low	79.3	Confident	47 Å²	47	41.8 Å²	41.8	20%	0.204	22%	0.221	C	C	.	.			trans	-59.2	107.4	159.2	-78.4	-179.7	176.2	-173.6	0	106.5	H298 T440 N441	H298-K438 WeakPolarHBondContact NE2-CD 3.12Å; H298-K438 WeakPolarHBondContact NE2-CG 3.27Å; K438-T440 PolarHBondContact O-N 3.15Å; K438-N441 PolarHBondContact O-N 2.83Å
439	Q	46.2	Very low	79.1	Confident	9 Å²	9	48.1 Å²	48.1	4%	0.042	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-27.8	-157.1	-126.6	176.1	6.2	0	0	115.8	L297 M388 L437 E443	L297-Q439 HydrophobicContact CB-CB 4.49Å; L297-Q439 VanDerWaalsContact CB-OE1 3.29Å; L297-Q439 VanDerWaalsContact CD2-OE1 3.23Å; L297-Q439 WeakPolarHBondContact O-CB 3.47Å; M388-Q439 HydrophobicContact CB-CG 4.35Å; L437-Q439 PolarHBondContact O-N 3.03Å; Q439-E443 WeakPolarHBondContact O-CG 3.45Å
440	T	47.1	Very low	79	Confident	34 Å²	34	49.8 Å²	49.8	21%	0.209	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-16.6	-179.4	59.8	0	0	0	0	115.5	H298 K438	H298-T440 HydrophobicContact CB-CG2 4.2Å; H298-T440 WeakPolarHBondContact O-CG2 3.42Å; K438-T440 PolarHBondContact O-N 3.15Å
441	N	50.2	Low	79.2	Confident	57 Å²	57	45 Å²	45	31%	0.305	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-17	-169.3	-65.2	-8.1	0	0	0	112.6	Y9 K438	Y9-N441 WeakPolarHBondContact CE2-OD1 3.49Å; Y9-N441 PolarHBondContact OH-OD1 2.88Å; Y9-N441 VanDerWaalsContact OH-OD1 3.13Å; K438-N441 PolarHBondContact O-N 2.83Å
442	V	61.4	Low	79.4	Confident	30 Å²	30	41.6 Å²	41.6	18%	0.182	21%	0.205	C	C	.	.			trans	-153.8	55.6	-173.5	-164.7	0	0	0	0	109.7	L437 I456	L437-V442 HydrophobicContact CD2-CB 4.07Å; L437-V442 HydrophobicContact CD2-CG1 3.75Å; L437-V442 WeakPolarHBondContact CD2-O 3.49Å; V442-I456 HydrophobicContact CG1-CB 3.78Å; V442-I456 HydrophobicContact CG1-CD1 3.54Å; V442-I456 HydrophobicContact CG1-CG1 3.66Å
443	E	76.1	Confident	79.4	Confident	122 Å²	122	41.6 Å²	41.6	57%	0.57	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-64.3	131.2	172.4	-70	-167.7	170.6	0	0	109.4	Q439	Q439-E443 WeakPolarHBondContact O-CG 3.45Å
444	P	90.1	Very high	79.4	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.058	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-72.7	146.2	173.9	32.7	-34.9	0	0	0	109.7	M388 L390 L437 M453 L454 I455	M388-P444 HydrophobicContact CE-CG 4.15Å; L390-P444 HydrophobicContact CD2-CG 3.72Å; L437-P444 HydrophobicContact CD1-CB 4.33Å; L437-P444 HydrophobicContact CD1-CG 3.76Å; P444-M453 HydrophobicContact CB-CE 4.34Å; P444-M453 HydrophobicContact CB-CG 3.63Å; P444-M453 HydrophobicContact CB-SD 4.02Å; P444-M453 HydrophobicContact CG-CE 3.91Å; P444-M453 HydrophobicContact CG-CG 4.23Å; P444-M453 HydrophobicContact CG-SD 4.13Å; P444-L454 CarbonylContact C-O 3.57Å; P444-L454 WeakPolarHBondContact CA-O 3.12Å; P444-L454 WeakPolarHBondContact CB-O 3.1Å; P444-I455 HydrophobicContact CB-CB 4.43Å
445	I	91.8	Very high	79.4	Confident	41 Å²	41	41.4 Å²	41.4	21%	0.21	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.2	173.9	-61.4	-176.6	0	0	0	108.8	M453 L454 I498	I445-M453 WeakPolarHBondContact O-CA 3.23Å; I445-L454 HydrophobicContact CB-CB 4.38Å; I445-L454 PolarHBondContact N-O 3.1Å; I445-L454 VanDerWaalsContact N-O 3.14Å; I445-L454 PolarHBondContact O-N 2.79Å; I445-I498 HydrophobicContact CD1-CB 4.18Å; I445-I498 HydrophobicContact CD1-CG2 3.53Å; I445-I498 HydrophobicContact CG1-CB 4.39Å; I445-I498 HydrophobicContact CG1-CG2 4.11Å
446	I	93	Very high	80	Confident	29 Å²	29	39.7 Å²	39.7	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.1	173.4	-53.2	-62.9	0	0	0	109.9	L390 M392 K448 E452 M453 I474	L390-I446 HydrophobicContact CD1-CD1 3.66Å; L390-I446 HydrophobicContact CD1-CG1 3.44Å; L390-I446 VanDerWaalsContact CD1-CG1 3.44Å; L390-I446 HydrophobicContact CD2-CD1 4.35Å; L390-I446 HydrophobicContact CD2-CG1 4.23Å; M392-I446 HydrophobicContact CB-CG2 4Å; M392-I446 HydrophobicContact CG-CG2 3.7Å; I446-K448 HydrophobicContact CG2-CG 4.25Å; I446-K448 PolarHBondContact O-N 3.04Å; I446-E452 CarbonylContact C-O 3.59Å; I446-E452 WeakPolarHBondContact CA-O 3.44Å; I446-M453 HydrophobicContact CD1-CB 3.86Å; I446-M453 HydrophobicContact CD1-CE 3.55Å; I446-M453 HydrophobicContact CD1-CG 3.84Å; I446-I474 HydrophobicContact CD1-CD1 3.77Å; I446-I474 HydrophobicContact CG2-CD1 3.95Å
447	N	93.4	Very high	80.8	Confident	12 Å²	12	39.8 Å²	39.8	6%	0.064	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	102.3	163.2	-179.4	-6	0	0	0	108.9	E449 N450 Q451 E452 Y501 G503	N447-E449 PolarHBondContact OD1-N 2.74Å; N447-E449 VanDerWaalsContact OD1-N 3.14Å; N447-N450 WeakPolarHBondContact ND2-CB 3.25Å; N447-N450 PolarHBondContact ND2-ND2 3.2Å; N447-N450 PolarHBondContact OD1-N 2.93Å; N447-Q451 WeakPolarHBondContact O-CA 3.21Å; N447-Q451 PolarHBondContact O-N 3.03Å; N447-E452 HydrophobicContact CB-CB 4.26Å; N447-E452 PolarHBondContact N-O 3.4Å; N447-E452 PolarHBondContact O-N 2.97Å; N447-Y501 HydrophobicContact CB-CD1 4.09Å; N447-Y501 HydrophobicContact CB-CE1 3.88Å; N447-G503 WeakPolarHBondContact ND2-CA 3.41Å; N447-G503 PolarHBondContact ND2-O 2.94Å
448	K	91.2	Very high	82.2	Confident	98 Å²	98	40.6 Å²	40.6	43%	0.426	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-36	-177.4	-58.2	-176	177.3	175.4	0	112.6	D307 M392 I446 Q451	D307-K448 IonicContact OD1-NZ 3.7Å; D307-K448 PolarHBondContact OD1-NZ 3.47Å; D307-K448 WeakPolarHBondContact OD2-CE 3.45Å; D307-K448 IonicContact OD2-NZ 3Å; D307-K448 PolarHBondContact OD2-NZ 3.36Å; M392-K448 VanDerWaalsContact O-CD 3.23Å; M392-K448 WeakPolarHBondContact O-CD 3.25Å; M392-K448 WeakPolarHBondContact O-CE 3.17Å; M392-K448 VanDerWaalsContact O-CG 3.27Å; M392-K448 WeakPolarHBondContact O-CG 3.34Å; I446-K448 HydrophobicContact CG2-CG 4.25Å; I446-K448 PolarHBondContact O-N 3.04Å; K448-Q451 PolarHBondContact O-N 2.84Å
449	E	89.5	Confident	83.8	Confident	170 Å²	170	40.5 Å²	40.5	79%	0.794	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-48.7	-177.8	-60.7	-174.3	167.2	0	0	111	N447	N447-E449 PolarHBondContact OD1-N 2.74Å; N447-E449 VanDerWaalsContact OD1-N 3.14Å
450	N	91.7	Very high	85.4	Confident	64 Å²	64	43.7 Å²	43.7	34%	0.342	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.2	179.3	-65.4	-33	0	0	0	113.2	N447 E452 K473 G503	N447-N450 WeakPolarHBondContact ND2-CB 3.25Å; N447-N450 PolarHBondContact ND2-ND2 3.2Å; N447-N450 PolarHBondContact OD1-N 2.93Å; N450-E452 VanDerWaalsContact C-N 3.3Å; N450-E452 HydrophobicContact CB-CG 3.96Å; N450-E452 WeakPolarHBondContact O-CG 3.28Å; N450-E452 PolarHBondContact O-N 3.49Å; N450-K473 WeakPolarHBondContact O-CE 3.43Å; N450-K473 PolarHBondContact O-NZ 3Å; N450-G503 PolarHBondContact ND2-O 3.15Å
451	Q	93.8	Very high	86.9	Confident	54 Å²	54	49.4 Å²	49.4	25%	0.252	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	49	-175.8	-54.9	166.7	-4.4	0	0	111.3	M392 N447 K448 K473 I474	M392-Q451 HydrophobicContact CE-CB 4.32Å; M392-Q451 HydrophobicContact CE-CG 4Å; M392-Q451 HydrophobicContact SD-CB 3.95Å; M392-Q451 HydrophobicContact SD-CG 4.14Å; N447-Q451 WeakPolarHBondContact O-CA 3.21Å; N447-Q451 PolarHBondContact O-N 3.03Å; K448-Q451 PolarHBondContact O-N 2.84Å; Q451-K473 CarbonylContact O-C 3.56Å; Q451-K473 WeakPolarHBondContact O-CD 3.44Å; Q451-I474 PolarHBondContact O-N 3.03Å
452	E	94.2	Very high	88.5	Confident	36 Å²	36	47.3 Å²	47.3	17%	0.168	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.2	-177.7	-66.8	176.2	156.4	0	0	110.5	I446 N447 N450 L472 K473	I446-E452 CarbonylContact C-O 3.59Å; I446-E452 WeakPolarHBondContact CA-O 3.44Å; N447-E452 HydrophobicContact CB-CB 4.26Å; N447-E452 PolarHBondContact N-O 3.4Å; N447-E452 PolarHBondContact O-N 2.97Å; N450-E452 VanDerWaalsContact C-N 3.3Å; N450-E452 HydrophobicContact CB-CG 3.96Å; N450-E452 WeakPolarHBondContact O-CG 3.28Å; N450-E452 PolarHBondContact O-N 3.49Å; E452-L472 CarbonylContact C-O 3.51Å; E452-L472 WeakPolarHBondContact CA-O 3.12Å; E452-K473 HydrophobicContact CG-CD 4.26Å
453	M	93.6	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.9	170.3	178.3	-177	-86.4	0	0	108.7	M388 V398 I411 P444 I445 I446 K471 L472 I474	M388-M453 HydrophobicContact CE-CE 3.8Å; M388-M453 HydrophobicContact CE-SD 4.45Å; V398-M453 HydrophobicContact CB-CE 4.25Å; V398-M453 HydrophobicContact CG1-CE 3.49Å; V398-M453 VanDerWaalsContact CG1-CE 3.49Å; I411-M453 HydrophobicContact CD1-SD 4.28Å; I411-M453 HydrophobicContact CG2-CE 4.45Å; I411-M453 HydrophobicContact CG2-SD 4.43Å; P444-M453 HydrophobicContact CB-CE 4.34Å; P444-M453 HydrophobicContact CB-CG 3.63Å; P444-M453 HydrophobicContact CB-SD 4.02Å; P444-M453 HydrophobicContact CG-CE 3.91Å; P444-M453 HydrophobicContact CG-CG 4.23Å; P444-M453 HydrophobicContact CG-SD 4.13Å; I445-M453 WeakPolarHBondContact O-CA 3.23Å; I446-M453 HydrophobicContact CD1-CB 3.86Å; I446-M453 HydrophobicContact CD1-CE 3.55Å; I446-M453 HydrophobicContact CD1-CG 3.84Å; M453-K471 CarbonylContact O-C 3.59Å; M453-K471 WeakPolarHBondContact O-CA 3.21Å; M453-L472 HydrophobicContact CB-CB 4.49Å; M453-L472 PolarHBondContact N-O 2.87Å; M453-L472 PolarHBondContact O-N 3.17Å; M453-I474 HydrophobicContact CB-CD1 4.05Å; M453-I474 HydrophobicContact CB-CG1 4.08Å
454	L	94.4	Very high	90.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.6	168.6	-78.7	74.6	0	0	0	109.1	P444 I445 I469 A470 K471 I488 I498 Y501 V507	P444-L454 CarbonylContact C-O 3.57Å; P444-L454 WeakPolarHBondContact CA-O 3.12Å; P444-L454 WeakPolarHBondContact CB-O 3.1Å; I445-L454 HydrophobicContact CB-CB 4.38Å; I445-L454 PolarHBondContact N-O 3.1Å; I445-L454 VanDerWaalsContact N-O 3.14Å; I445-L454 PolarHBondContact O-N 2.79Å; L454-I469 HydrophobicContact CB-CG2 4.42Å; L454-I469 HydrophobicContact CD2-CG2 4.38Å; L454-A470 CarbonylContact C-O 3.56Å; L454-A470 WeakPolarHBondContact CA-O 3.34Å; L454-K471 HydrophobicContact CD1-CG 4.14Å; L454-K471 HydrophobicContact CG-CG 4.09Å; L454-I488 HydrophobicContact CD2-CD1 3.53Å; L454-I488 HydrophobicContact CG-CD1 3.78Å; L454-I498 HydrophobicContact CB-CD1 3.99Å; L454-Y501 HydrophobicContact CD1-CD1 3.46Å; L454-Y501 VanDerWaalsContact CD1-CD1 3.46Å; L454-Y501 HydrophobicContact CD1-CE1 3.53Å; L454-Y501 HydrophobicContact CD1-CG 4.04Å; L454-Y501 HydrophobicContact CD2-CD1 3.92Å; L454-Y501 HydrophobicContact CD2-CD2 3.79Å; L454-Y501 HydrophobicContact CD2-CE1 4.37Å; L454-Y501 HydrophobicContact CD2-CE2 4.27Å; L454-Y501 HydrophobicContact CD2-CG 3.57Å; L454-Y501 HydrophobicContact CG-CD1 4.35Å; L454-Y501 HydrophobicContact CG-CG 4.48Å; L454-V507 HydrophobicContact CD2-CG2 3.91Å
455	I	93.8	Very high	90.4	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.4	-173.1	-170.5	171.8	0	0	0	111.1	I411 L436 L437 P444 L457 A470 L472	I411-I455 HydrophobicContact CD1-CD1 3.6Å; L436-I455 HydrophobicContact CD2-CD1 4.27Å; L437-I455 HydrophobicContact CD1-CD1 3.66Å; L437-I455 HydrophobicContact CD1-CG1 4.19Å; L437-I455 HydrophobicContact CD2-CD1 3.94Å; L437-I455 HydrophobicContact CD2-CG1 3.67Å; L437-I455 HydrophobicContact CG-CD1 3.97Å; L437-I455 HydrophobicContact CG-CG1 4.27Å; P444-I455 HydrophobicContact CB-CB 4.43Å; I455-L457 HydrophobicContact CD1-CD2 4.21Å; I455-L457 HydrophobicContact CG1-CD2 4.38Å; I455-L457 HydrophobicContact CG1-CG 4.44Å; I455-L457 HydrophobicContact CG2-CD1 3.88Å; I455-L457 HydrophobicContact CG2-CG 3.96Å; I455-A470 PolarHBondContact N-O 2.81Å; I455-A470 PolarHBondContact O-N 3.07Å; I455-L472 HydrophobicContact CG2-CD1 3.86Å; I455-L472 HydrophobicContact CG2-CG 4.07Å
456	I	93.6	Very high	90.5	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.062	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.9	172.3	-56.8	-174.1	0	0	0	109.6	V442 R467 G468 V495 K496 I498	V442-I456 HydrophobicContact CG1-CB 3.78Å; V442-I456 HydrophobicContact CG1-CD1 3.54Å; V442-I456 HydrophobicContact CG1-CG1 3.66Å; I456-R467 HydrophobicContact CG2-CB 3.7Å; I456-R467 HydrophobicContact CG2-CG 4.41Å; I456-G468 CarbonylContact C-O 3.46Å; I456-G468 VanDerWaalsContact CA-O 3.3Å; I456-G468 WeakPolarHBondContact CA-O 3.34Å; I456-V495 HydrophobicContact CD1-CB 4.32Å; I456-V495 HydrophobicContact CD1-CG1 3.63Å; I456-V495 HydrophobicContact CG1-CG1 4.16Å; I456-V495 HydrophobicContact CG2-CB 4.47Å; I456-K496 VanDerWaalsContact CD1-C 3.41Å; I456-K496 WeakPolarHBondContact CD1-O 3.4Å; I456-I498 HydrophobicContact CD1-CG1 4.12Å; I456-I498 HydrophobicContact CG1-CD1 3.99Å; I456-I498 HydrophobicContact CG1-CG1 3.79Å
457	L	93.1	Very high	90.5	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.5	179.2	-65.5	174	0	0	0	111	F425 I427 I455 R467 G468 A470 P485 W487	F425-L457 HydrophobicContact CE1-CD1 4.3Å; F425-L457 HydrophobicContact CE1-CD2 4.25Å; F425-L457 HydrophobicContact CE2-CD1 4.4Å; F425-L457 HydrophobicContact CZ-CD1 3.73Å; F425-L457 HydrophobicContact CZ-CD2 4.32Å; I427-L457 HydrophobicContact CD1-CD2 4.11Å; I455-L457 HydrophobicContact CD1-CD2 4.21Å; I455-L457 HydrophobicContact CG1-CD2 4.38Å; I455-L457 HydrophobicContact CG1-CG 4.44Å; I455-L457 HydrophobicContact CG2-CD1 3.88Å; I455-L457 HydrophobicContact CG2-CG 3.96Å; L457-R467 CarbonylContact O-C 3.5Å; L457-R467 WeakPolarHBondContact O-CA 3.38Å; L457-G468 PolarHBondContact N-O 2.92Å; L457-G468 PolarHBondContact O-N 3.34Å; L457-A470 HydrophobicContact CD1-CB 4.13Å; L457-P485 HydrophobicContact CD1-CB 3.8Å; L457-P485 HydrophobicContact CD1-CG 4.45Å; L457-W487 HydrophobicContact CB-CH2 3.73Å; L457-W487 HydrophobicContact CB-CZ3 4.13Å; L457-W487 WeakPolarHBondContact O-CH2 3.45Å; L457-W487 WeakPolarHBondContact O-CZ3 3.36Å
458	P	92.3	Very high	90.6	Very high	20 Å²	20	51.3 Å²	51.3	13%	0.13	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	139.5	172.3	31.3	-36.2	0	0	0	111.5	Y429 D460 R467 R693	Y429-P458 WeakPolarHBondContact OH-CG 2.81Å; P458-D460 PolarHBondContact O-N 3.24Å; P458-R467 HydrophobicContact CB-CG 4.38Å; P458-R693 HydrophobicContact CB-CB 4.15Å
459	R	89	Confident	90.7	Very high	45 Å²	45	46.6 Å²	46.6	17%	0.17	21%	0.214	C	C	.	.			trans	-90.1	85.2	175.2	-172.6	172	67.9	114.5	-9.8	110.9	Y461 S462 G465 Y466 W487	R459-Y461 VanDerWaalsContact C-N 3.25Å; R459-Y461 VanDerWaalsContact CD-CE2 3.41Å; R459-Y461 VanDerWaalsContact CD-CZ 3.5Å; R459-Y461 WeakPolarHBondContact CD-OH 3.36Å; R459-Y461 HydrophobicContact CG-CD1 4.04Å; R459-Y461 HydrophobicContact CG-CD2 3.88Å; R459-Y461 HydrophobicContact CG-CE1 3.61Å; R459-Y461 HydrophobicContact CG-CE2 3.46Å; R459-Y461 VanDerWaalsContact CG-CE2 3.46Å; R459-Y461 HydrophobicContact CG-CG 4.16Å; R459-Y461 PolarHBondContact O-N 3.18Å; R459-S462 WeakPolarHBondContact O-CB 3.48Å; R459-S462 PolarHBondContact O-N 3.45Å; R459-S462 PolarHBondContact O-OG 3.43Å; R459-G465 WeakPolarHBondContact O-CA 3.41Å; R459-Y466 WeakPolarHBondContact CB-O 3.27Å; R459-Y466 PolarHBondContact N-O 3.14Å; R459-W487 HydrophobicContact CB-CH2 4.31Å; R459-W487 HydrophobicContact CB-CZ2 4.47Å
460	D	80	Confident	90.9	Very high	76 Å²	76	38.5 Å²	38.5	41%	0.406	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21	-169.9	-63.4	-43.9	0	0	0	115	Y429 P458 S462 R693	Y429-D460 WeakPolarHBondContact CE1-OD2 3.44Å; Y429-D460 PolarHBondContact OH-OD1 3.02Å; Y429-D460 PolarHBondContact OH-OD2 2.72Å; P458-D460 PolarHBondContact O-N 3.24Å; D460-S462 PolarHBondContact O-N 2.98Å; D460-R693 VanDerWaalsContact OD1-CD 3.3Å; D460-R693 WeakPolarHBondContact OD1-CD 3.42Å; D460-R693 IonicContact OD1-NE 3.69Å
461	Y	79.4	Confident	91	Very high	154 Å²	154	36.4 Å²	36.4	60%	0.604	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	4.2	173.7	53.3	-92.5	0	0	0	113.8	R459 W487	R459-Y461 VanDerWaalsContact C-N 3.25Å; R459-Y461 VanDerWaalsContact CD-CE2 3.41Å; R459-Y461 VanDerWaalsContact CD-CZ 3.5Å; R459-Y461 WeakPolarHBondContact CD-OH 3.36Å; R459-Y461 HydrophobicContact CG-CD1 4.04Å; R459-Y461 HydrophobicContact CG-CD2 3.88Å; R459-Y461 HydrophobicContact CG-CE1 3.61Å; R459-Y461 HydrophobicContact CG-CE2 3.46Å; R459-Y461 VanDerWaalsContact CG-CE2 3.46Å; R459-Y461 HydrophobicContact CG-CG 4.16Å; R459-Y461 PolarHBondContact O-N 3.18Å; Y461-W487 AromaticContact CE1-NE1 3.98Å; Y461-W487 PolarHBondContact OH-NE1 3.23Å
462	S	82.7	Confident	91.1	Very high	13 Å²	13	33.9 Å²	33.9	9%	0.091	15%	0.152	C	C	.	.	S	Bend	trans	-100.6	152.7	175.8	74	0	0	0	0	112.1	R459 D460 K464 G465	R459-S462 WeakPolarHBondContact O-CB 3.48Å; R459-S462 PolarHBondContact O-N 3.45Å; R459-S462 PolarHBondContact O-OG 3.43Å; D460-S462 PolarHBondContact O-N 2.98Å; S462-K464 PolarHBondContact O-N 3.43Å; S462-K464 VanDerWaalsContact O-N 3.09Å; S462-G465 PolarHBondContact O-N 3.22Å; S462-G465 WeakPolarHBondContact OG-CA 3.14Å; S462-G465 PolarHBondContact OG-N 3.03Å
463	E	85.2	Confident	91.1	Very high	155 Å²	155	36.7 Å²	36.7	72%	0.724	16%	0.164	S	C	*	.	S	Bend	trans	-57.2	-29.4	-176.2	-161.9	-153.6	132.1	0	0	114	L694	E463-L694 WeakPolarHBondContact O-CD1 3.25Å
464	K	90.5	Very high	91.2	Very high	84 Å²	84	36.7 Å²	36.7	37%	0.365	16%	0.164	S	C	.	.	S	Bend	trans	-107.4	-16.9	-179.7	-59	-51.9	-172.6	-148.4	0	114	S462 Y466 G692 R693 L694	S462-K464 PolarHBondContact O-N 3.43Å; S462-K464 VanDerWaalsContact O-N 3.09Å; K464-Y466 HydrophobicContact CB-CD1 4.37Å; K464-Y466 HydrophobicContact CB-CD2 3.89Å; K464-Y466 HydrophobicContact CB-CE1 4.12Å; K464-Y466 HydrophobicContact CB-CE2 3.63Å; K464-Y466 HydrophobicContact CB-CG 4.25Å; K464-Y466 HydrophobicContact CG-CD2 4.47Å; K464-Y466 HydrophobicContact CG-CE2 3.75Å; K464-G692 CarbonylContact O-C 3.58Å; K464-G692 VanDerWaalsContact O-C 3.31Å; K464-G692 WeakPolarHBondContact O-CA 3.38Å; K464-R693 PolarHBondContact O-N 3.03Å; K464-L694 PolarHBondContact O-N 3.5Å; K464-L694 VanDerWaalsContact O-N 3.17Å
465	G	92.7	Very high	91.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	17%	0.171	C	C	.	.			trans	66.8	41.1	-172.1	0	0	0	0	0	112.7	R459 S462 R693	R459-G465 WeakPolarHBondContact O-CA 3.41Å; S462-G465 PolarHBondContact O-N 3.22Å; S462-G465 WeakPolarHBondContact OG-CA 3.14Å; S462-G465 PolarHBondContact OG-N 3.03Å; G465-R693 WeakPolarHBondContact O-CB 3.41Å; G465-R693 PolarHBondContact O-N 3.03Å
466	Y	94.2	Very high	91.1	Very high	52 Å²	52	41 Å²	41	20%	0.204	19%	0.188	C	C	.	.			trans	-61.8	143.6	178	-71.4	-57.7	0	0	0	111.5	R459 K464 N492 D494	R459-Y466 WeakPolarHBondContact CB-O 3.27Å; R459-Y466 PolarHBondContact N-O 3.14Å; K464-Y466 HydrophobicContact CB-CD1 4.37Å; K464-Y466 HydrophobicContact CB-CD2 3.89Å; K464-Y466 HydrophobicContact CB-CE1 4.12Å; K464-Y466 HydrophobicContact CB-CE2 3.63Å; K464-Y466 HydrophobicContact CB-CG 4.25Å; K464-Y466 HydrophobicContact CG-CD2 4.47Å; K464-Y466 HydrophobicContact CG-CE2 3.75Å; Y466-N492 VanDerWaalsContact CD2-C 3.43Å; Y466-N492 VanDerWaalsContact CE2-C 3.44Å; Y466-N492 HydrophobicContact CE2-CB 4.44Å; Y466-N492 VanDerWaalsContact CE2-O 3.27Å; Y466-N492 WeakPolarHBondContact CE2-O 3.21Å; Y466-D494 WeakPolarHBondContact CA-OD1 3.22Å
467	R	93.6	Very high	91.1	Very high	35 Å²	35	46.3 Å²	46.3	13%	0.132	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.9	178.5	-65.7	178.7	179.1	95.3	-10.6	110.8	D435 I456 L457 P458 D494 V495 E696	D435-R467 IonicContact OD2-CZ 3.43Å; D435-R467 IonicContact OD2-NH2 2.74Å; D435-R467 PolarHBondContact OD2-NH2 3.15Å; I456-R467 HydrophobicContact CG2-CB 3.7Å; I456-R467 HydrophobicContact CG2-CG 4.41Å; L457-R467 CarbonylContact O-C 3.5Å; L457-R467 WeakPolarHBondContact O-CA 3.38Å; P458-R467 HydrophobicContact CB-CG 4.38Å; R467-D494 PolarHBondContact N-OD1 3.29Å; R467-D494 IonicContact NH1-OD2 2.7Å; R467-V495 WeakPolarHBondContact O-CG2 3.22Å; R467-V495 PolarHBondContact O-N 2.85Å; R467-E696 IonicContact CZ-OE2 3.33Å; R467-E696 VanDerWaalsContact CZ-OE2 3.28Å; R467-E696 IonicContact NH1-OE2 3.02Å; R467-E696 PolarHBondContact NH1-OE2 3.45Å; R467-E696 IonicContact NH2-OE1 3Å; R467-E696 PolarHBondContact NH2-OE1 3.21Å; R467-E696 IonicContact NH2-OE2 3.33Å; R467-E696 PolarHBondContact NH2-OE2 3.27Å
468	G	93.6	Very high	91.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	179.7	175.8	0	0	0	0	0	111.7	I456 L457 I489	I456-G468 CarbonylContact C-O 3.46Å; I456-G468 VanDerWaalsContact CA-O 3.3Å; I456-G468 WeakPolarHBondContact CA-O 3.34Å; L457-G468 PolarHBondContact N-O 2.92Å; L457-G468 PolarHBondContact O-N 3.34Å; G468-I489 CarbonylContact C-O 3.56Å; G468-I489 VanDerWaalsContact CA-O 3.29Å; G468-I489 WeakPolarHBondContact CA-O 3.41Å
469	I	94.4	Very high	90.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.5	178.5	-55.6	174.7	0	0	0	109.1	L454 I488 I489 V495 I498 V507 F509	L454-I469 HydrophobicContact CB-CG2 4.42Å; L454-I469 HydrophobicContact CD2-CG2 4.38Å; I469-I488 HydrophobicContact CB-CB 4.49Å; I469-I488 HydrophobicContact CG2-CB 4.42Å; I469-I488 HydrophobicContact CG2-CD1 3.82Å; I469-I488 PolarHBondContact O-N 3.31Å; I469-I489 HydrophobicContact CB-CG2 4.05Å; I469-I489 HydrophobicContact CD1-CG2 4.09Å; I469-I489 HydrophobicContact CG1-CG2 4.09Å; I469-I489 PolarHBondContact N-O 3.23Å; I469-I489 PolarHBondContact O-N 3.23Å; I469-V495 HydrophobicContact CD1-CG1 4.01Å; I469-V495 HydrophobicContact CG1-CB 4.5Å; I469-V495 HydrophobicContact CG1-CG1 3.82Å; I469-V495 HydrophobicContact CG1-CG2 4.34Å; I469-I498 HydrophobicContact CD1-CD1 4.39Å; I469-I498 HydrophobicContact CD1-CG1 4.02Å; I469-I498 HydrophobicContact CD1-CG2 4.48Å; I469-I498 HydrophobicContact CG1-CD1 4.24Å; I469-I498 HydrophobicContact CG1-CG1 4.19Å; I469-I498 HydrophobicContact CG2-CD1 3.72Å; I469-I498 HydrophobicContact CG2-CG1 4.48Å; I469-V507 HydrophobicContact CD1-CG1 3.76Å; I469-F509 HydrophobicContact CD1-CB 3.74Å; I469-F509 HydrophobicContact CD1-CD1 3.73Å; I469-F509 HydrophobicContact CD1-CD2 4.48Å; I469-F509 HydrophobicContact CD1-CE1 4.41Å; I469-F509 HydrophobicContact CD1-CG 3.76Å
470	A	93.4	Very high	90.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.8	175	0	0	0	0	0	111.7	L454 I455 L457 P485 N486 W487	L454-A470 CarbonylContact C-O 3.56Å; L454-A470 WeakPolarHBondContact CA-O 3.34Å; I455-A470 PolarHBondContact N-O 2.81Å; I455-A470 PolarHBondContact O-N 3.07Å; L457-A470 HydrophobicContact CD1-CB 4.13Å; A470-P485 HydrophobicContact CB-CB 3.68Å; A470-N486 CarbonylContact C-O 3.5Å; A470-N486 WeakPolarHBondContact CA-O 3.42Å; A470-W487 HydrophobicContact CB-CD2 4.32Å; A470-W487 HydrophobicContact CB-CE3 3.96Å; A470-W487 HydrophobicContact CB-CZ3 4.25Å
471	K	94.2	Very high	91.1	Very high	20 Å²	20	59.8 Å²	59.8	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.9	167.5	-72	-178.1	-79.2	-162.8	0	109.9	M453 L454 N486 I488	M453-K471 CarbonylContact O-C 3.59Å; M453-K471 WeakPolarHBondContact O-CA 3.21Å; L454-K471 HydrophobicContact CD1-CG 4.14Å; L454-K471 HydrophobicContact CG-CG 4.09Å; K471-N486 HydrophobicContact CB-CB 4.31Å; K471-N486 PolarHBondContact N-O 2.91Å; K471-N486 PolarHBondContact O-N 2.88Å; K471-I488 HydrophobicContact CD-CD1 3.83Å; K471-I488 HydrophobicContact CD-CG1 3.99Å; K471-I488 HydrophobicContact CG-CD1 3.43Å; K471-I488 VanDerWaalsContact CG-CD1 3.43Å; K471-I488 HydrophobicContact CG-CG1 3.78Å
472	L	95.1	Very high	91.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	166	-58.2	175.6	0	0	0	108.2	I411 F424 F425 E452 M453 I455 P485	I411-L472 HydrophobicContact CD1-CD1 3.87Å; F424-L472 HydrophobicContact CE2-CB 4.06Å; F424-L472 HydrophobicContact CE2-CD1 4.27Å; F425-L472 HydrophobicContact CB-CD1 4.02Å; F425-L472 HydrophobicContact CD1-CD1 4.05Å; F425-L472 HydrophobicContact CD2-CD1 4.01Å; F425-L472 HydrophobicContact CD2-CD2 3.7Å; F425-L472 HydrophobicContact CE2-CD2 4.01Å; F425-L472 HydrophobicContact CG-CD1 3.75Å; F425-L472 HydrophobicContact CG-CD2 4.28Å; E452-L472 CarbonylContact C-O 3.51Å; E452-L472 WeakPolarHBondContact CA-O 3.12Å; M453-L472 HydrophobicContact CB-CB 4.49Å; M453-L472 PolarHBondContact N-O 2.87Å; M453-L472 PolarHBondContact O-N 3.17Å; I455-L472 HydrophobicContact CG2-CD1 3.86Å; I455-L472 HydrophobicContact CG2-CG 4.07Å; L472-P485 HydrophobicContact CD2-CB 4.34Å
473	K	95.8	Very high	92.4	Very high	94 Å²	94	58.1 Å²	58.1	41%	0.409	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.7	172.4	-171.8	75.9	179	-171.2	0	107.9	N450 Q451 E452 P475 Q483	N450-K473 WeakPolarHBondContact O-CE 3.43Å; N450-K473 PolarHBondContact O-NZ 3Å; Q451-K473 CarbonylContact O-C 3.56Å; Q451-K473 WeakPolarHBondContact O-CD 3.44Å; E452-K473 HydrophobicContact CG-CD 4.26Å; K473-P475 VanDerWaalsContact O-CD 3.26Å; K473-P475 WeakPolarHBondContact O-CD 3.38Å; K473-Q483 VanDerWaalsContact O-CD 3.27Å; K473-Q483 PolarHBondContact O-NE2 3.22Å; K473-Q483 PolarHBondContact O-OE1 3.18Å; K473-Q483 VanDerWaalsContact O-OE1 3.09Å
474	I	95.3	Very high	92.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.			trans	-89.3	110.5	175.4	-57.8	167.5	0	0	0	107.1	M392 I396 V398 V413 I446 Q451 M453	M392-I474 HydrophobicContact CB-CD1 4.46Å; M392-I474 HydrophobicContact CE-CG2 4.34Å; M392-I474 HydrophobicContact CG-CD1 4.27Å; M392-I474 HydrophobicContact SD-CB 3.79Å; M392-I474 HydrophobicContact SD-CD1 3.59Å; M392-I474 VanDerWaalsContact SD-CD1 3.59Å; M392-I474 HydrophobicContact SD-CG1 4.3Å; M392-I474 HydrophobicContact SD-CG2 3.78Å; I396-I474 HydrophobicContact CG2-CG2 3.87Å; V398-I474 HydrophobicContact CG2-CD1 4.29Å; V398-I474 HydrophobicContact CG2-CG2 4.07Å; V413-I474 HydrophobicContact CG2-CG2 3.58Å; I446-I474 HydrophobicContact CD1-CD1 3.77Å; I446-I474 HydrophobicContact CG2-CD1 3.95Å; Q451-I474 PolarHBondContact O-N 3.03Å; M453-I474 HydrophobicContact CB-CD1 4.05Å; M453-I474 HydrophobicContact CB-CG1 4.08Å
475	P	94.5	Very high	92.8	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.143	29%	0.292	C	S	.	.			trans	-75	134.2	-179.5	30.5	-33.6	0	0	0	110.8	W422 F424 K473	W422-P475 WeakPolarHBondContact CZ2-O 3.22Å; F424-P475 HydrophobicContact CB-CG 3.49Å; F424-P475 VanDerWaalsContact CB-CG 3.49Å; F424-P475 HydrophobicContact CD1-CG 4.4Å; F424-P475 HydrophobicContact CG-CG 3.94Å; K473-P475 VanDerWaalsContact O-CD 3.26Å; K473-P475 WeakPolarHBondContact O-CD 3.38Å
476	I	92	Very high	92.9	Very high	69 Å²	69	60 Å²	60	35%	0.354	31%	0.314	S	S	.	.	S	Bend	trans	-85.6	-23.4	175.3	-23.8	171.3	0	0	0	111.8	I396 W422	I396-I476 HydrophobicContact CD1-CG2 3.8Å; I396-I476 HydrophobicContact CG1-CG2 4.03Å; W422-I476 WeakPolarHBondContact CH2-O 3.19Å; W422-I476 WeakPolarHBondContact CZ2-O 3.38Å
477	L	93.6	Very high	92.9	Very high	124 Å²	124	60 Å²	60	65%	0.649	31%	0.314	S	S	*	.	S	Bend	trans	-111.3	149	177.8	-66.5	174.4	0	0	0	110.1	L418 W422 S479	L418-L477 HydrophobicContact CD1-CD2 4.34Å; W422-L477 VanDerWaalsContact CZ2-C 3.41Å; W422-L477 PolarHBondContact NE1-O 3.07Å; L477-S479 PolarHBondContact O-N 2.99Å
478	P	92.7	Very high	92.8	Very high	65 Å²	65	59.3 Å²	59.3	42%	0.422	31%	0.313	S	S	.	.			trans	-55.1	136	172.4	-23.2	31.9	0	0	0	111.7	L418 W422	L418-P478 HydrophobicContact CD1-CG 4.35Å; W422-P478 HydrophobicContact CD2-CB 4.11Å; W422-P478 HydrophobicContact CD2-CG 4.14Å; W422-P478 HydrophobicContact CE3-CB 4.15Å; W422-P478 HydrophobicContact CE3-CG 3.74Å; W422-P478 HydrophobicContact CG-CB 4.37Å; W422-P478 HydrophobicContact CH2-CG 4.26Å; W422-P478 HydrophobicContact CZ3-CG 3.81Å
479	S	88.3	Confident	92.8	Very high	58 Å²	58	60.3 Å²	60.3	41%	0.406	32%	0.318	S	S	.	.			trans	-141	139.6	172	-176.9	0	0	0	0	109.8	L477 T481	L477-S479 PolarHBondContact O-N 2.99Å; S479-T481 VanDerWaalsContact C-N 3.3Å; S479-T481 PolarHBondContact OG-N 3.04Å
480	E	82.4	Confident	92.7	Very high	199 Å²	199	62.6 Å²	62.6	93%	0.93	33%	0.332	S	S	*	.	S	Bend	trans	-80.6	-15.5	172.9	-63	-169.1	164.5	0	0	112.3	L482	E480-L482 PolarHBondContact O-N 2.84Å
481	T	90.1	Very high	92.7	Very high	109 Å²	109	63.2 Å²	63.2	67%	0.669	34%	0.336	S	S	*	.	S	Bend	trans	-83.5	115	-178.5	-56.1	0	0	0	0	110.3	S479	S479-T481 VanDerWaalsContact C-N 3.3Å; S479-T481 PolarHBondContact OG-N 3.04Å
482	L	94.1	Very high	92.7	Very high	83 Å²	83	67.9 Å²	67.9	44%	0.435	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-71.3	141.7	172.9	-63.4	175.7	0	0	0	110.7	V423 K426 E480	V423-L482 HydrophobicContact CB-CD2 4.49Å; V423-L482 HydrophobicContact CG1-CD2 3.72Å; K426-L482 HydrophobicContact CB-CD1 4.09Å; K426-L482 HydrophobicContact CD-CD1 4.5Å; E480-L482 PolarHBondContact O-N 2.84Å
483	Q	94	Very high	92.7	Very high	50 Å²	50	68.5 Å²	68.5	23%	0.234	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-83.7	150.8	178.9	-67.9	-177.5	43.4	0	0	112.5	F424 F425 K473	F424-Q483 PolarHBondContact O-N 3.2Å; F425-Q483 WeakPolarHBondContact CD2-O 3.38Å; K473-Q483 VanDerWaalsContact O-CD 3.27Å; K473-Q483 PolarHBondContact O-NE2 3.22Å; K473-Q483 PolarHBondContact O-OE1 3.18Å; K473-Q483 VanDerWaalsContact O-OE1 3.09Å
484	L	93.2	Very high	92.6	Very high	152 Å²	152	64.2 Å²	64.2	80%	0.796	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-97.4	149.7	166.2	-64	177.3	0	0	0	109.5	N486	L484-N486 PolarHBondContact O-N 2.8Å
485	P	92.7	Very high	92.6	Very high	38 Å²	38	64.3 Å²	64.3	25%	0.247	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-69	128.3	179.3	28.1	-31.6	0	0	0	111.1	L457 A470 L472 W487	L457-P485 HydrophobicContact CD1-CB 3.8Å; L457-P485 HydrophobicContact CD1-CG 4.45Å; A470-P485 HydrophobicContact CB-CB 3.68Å; L472-P485 HydrophobicContact CD2-CB 4.34Å; P485-W487 HydrophobicContact CG-CZ2 4.21Å
486	N	94	Very high	92.5	Very high	90 Å²	90	65.9 Å²	65.9	48%	0.481	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	101	171.3	-177.1	6	0	0	0	109.7	A470 K471 L484 I488	A470-N486 CarbonylContact C-O 3.5Å; A470-N486 WeakPolarHBondContact CA-O 3.42Å; K471-N486 HydrophobicContact CB-CB 4.31Å; K471-N486 PolarHBondContact N-O 2.91Å; K471-N486 PolarHBondContact O-N 2.88Å; L484-N486 PolarHBondContact O-N 2.8Å; N486-I488 PolarHBondContact O-N 3.32Å
487	W	93.4	Very high	92.5	Very high	51 Å²	51	65.4 Å²	65.4	19%	0.193	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	128	-173.5	-63.9	99.5	0	0	0	112.9	L457 R459 Y461 A470 P485 T490	L457-W487 HydrophobicContact CB-CH2 3.73Å; L457-W487 HydrophobicContact CB-CZ3 4.13Å; L457-W487 WeakPolarHBondContact O-CH2 3.45Å; L457-W487 WeakPolarHBondContact O-CZ3 3.36Å; R459-W487 HydrophobicContact CB-CH2 4.31Å; R459-W487 HydrophobicContact CB-CZ2 4.47Å; Y461-W487 AromaticContact CE1-NE1 3.98Å; Y461-W487 PolarHBondContact OH-NE1 3.23Å; A470-W487 HydrophobicContact CB-CD2 4.32Å; A470-W487 HydrophobicContact CB-CE3 3.96Å; A470-W487 HydrophobicContact CB-CZ3 4.25Å; P485-W487 HydrophobicContact CG-CZ2 4.21Å; W487-T490 HydrophobicContact CB-CG2 4.01Å; W487-T490 HydrophobicContact CD2-CG2 3.57Å; W487-T490 HydrophobicContact CE3-CG2 3.36Å; W487-T490 HydrophobicContact CG-CG2 3.88Å; W487-T490 HydrophobicContact CZ3-CG2 4.05Å
488	I	92.9	Very high	92.5	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.108	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-52.2	167.9	-67.6	162.9	0	0	0	109.7	L454 I469 K471 N486 V507	L454-I488 HydrophobicContact CD2-CD1 3.53Å; L454-I488 HydrophobicContact CG-CD1 3.78Å; I469-I488 HydrophobicContact CB-CB 4.49Å; I469-I488 HydrophobicContact CG2-CB 4.42Å; I469-I488 HydrophobicContact CG2-CD1 3.82Å; I469-I488 PolarHBondContact O-N 3.31Å; K471-I488 HydrophobicContact CD-CD1 3.83Å; K471-I488 HydrophobicContact CD-CG1 3.99Å; K471-I488 HydrophobicContact CG-CD1 3.43Å; K471-I488 VanDerWaalsContact CG-CD1 3.43Å; K471-I488 HydrophobicContact CG-CG1 3.78Å; N486-I488 PolarHBondContact O-N 3.32Å; I488-V507 HydrophobicContact CD1-CG2 4.15Å; I488-V507 HydrophobicContact CG2-CG2 4.13Å
489	I	93.1	Very high	92.6	Very high	21 Å²	21	57.9 Å²	57.9	11%	0.108	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	140.3	-179	-166.7	172.2	0	0	0	110.7	G468 I469 F509 T524 M531	G468-I489 CarbonylContact C-O 3.56Å; G468-I489 VanDerWaalsContact CA-O 3.29Å; G468-I489 WeakPolarHBondContact CA-O 3.41Å; I469-I489 HydrophobicContact CB-CG2 4.05Å; I469-I489 HydrophobicContact CD1-CG2 4.09Å; I469-I489 HydrophobicContact CG1-CG2 4.09Å; I469-I489 PolarHBondContact N-O 3.23Å; I469-I489 PolarHBondContact O-N 3.23Å; I489-F509 HydrophobicContact CD1-CE1 4.1Å; I489-F509 HydrophobicContact CD1-CZ 4.03Å; I489-F509 HydrophobicContact CG2-CE1 4.1Å; I489-F509 HydrophobicContact CG2-CZ 4.34Å; I489-T524 HydrophobicContact CB-CG2 4.43Å; I489-T524 HydrophobicContact CD1-CG2 4.04Å; I489-T524 HydrophobicContact CG2-CG2 4.36Å; I489-M531 HydrophobicContact CD1-CB 4.03Å; I489-M531 HydrophobicContact CD1-CG 4.15Å; I489-M531 HydrophobicContact CD1-SD 3.62Å
490	T	92.9	Very high	92.9	Very high	47 Å²	47	56.5 Å²	56.5	29%	0.288	29%	0.291	S	S	.	.			trans	-133.7	69.7	-180	51	0	0	0	0	110.1	W487	W487-T490 HydrophobicContact CB-CG2 4.01Å; W487-T490 HydrophobicContact CD2-CG2 3.57Å; W487-T490 HydrophobicContact CE3-CG2 3.36Å; W487-T490 HydrophobicContact CG-CG2 3.88Å; W487-T490 HydrophobicContact CZ3-CG2 4.05Å
491	P	93.1	Very high	93.5	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.091	25%	0.25	C	S	.	.			trans	-66.5	162.4	-176.1	28.6	-28.1	0	0	0	111	F493 V495	P491-F493 HydrophobicContact CB-CD1 3.88Å; P491-F493 HydrophobicContact CB-CD2 4.06Å; P491-F493 HydrophobicContact CB-CE1 3.64Å; P491-F493 HydrophobicContact CB-CE2 3.82Å; P491-F493 HydrophobicContact CB-CG 4.09Å; P491-F493 HydrophobicContact CB-CZ 3.61Å; P491-F493 HydrophobicContact CG-CD2 3.95Å; P491-F493 HydrophobicContact CG-CE1 4.46Å; P491-F493 HydrophobicContact CG-CE2 3.71Å; P491-F493 HydrophobicContact CG-CG 4.41Å; P491-F493 HydrophobicContact CG-CZ 4Å; P491-F493 PolarHBondContact O-N 2.87Å; P491-V495 HydrophobicContact CG-CG2 3.74Å
492	N	93.8	Very high	93.5	Very high	118 Å²	118	46.1 Å²	46.1	63%	0.631	24%	0.236	S	C	*	.	S	Bend	trans	-80.7	38	174.6	-70.2	-29.3	0	0	0	112.2	Y466	Y466-N492 VanDerWaalsContact CD2-C 3.43Å; Y466-N492 VanDerWaalsContact CE2-C 3.44Å; Y466-N492 HydrophobicContact CE2-CB 4.44Å; Y466-N492 VanDerWaalsContact CE2-O 3.27Å; Y466-N492 WeakPolarHBondContact CE2-O 3.21Å
493	F	95.1	Very high	93.3	Very high	14 Å²	14	42.8 Å²	42.8	6%	0.061	22%	0.223	C	C	.	.	S	Bend	trans	-160.1	166.6	177.7	58.7	-107.7	0	0	0	109.7	P491 F509 T512 G513 Y522 M531	P491-F493 HydrophobicContact CB-CD1 3.88Å; P491-F493 HydrophobicContact CB-CD2 4.06Å; P491-F493 HydrophobicContact CB-CE1 3.64Å; P491-F493 HydrophobicContact CB-CE2 3.82Å; P491-F493 HydrophobicContact CB-CG 4.09Å; P491-F493 HydrophobicContact CB-CZ 3.61Å; P491-F493 HydrophobicContact CG-CD2 3.95Å; P491-F493 HydrophobicContact CG-CE1 4.46Å; P491-F493 HydrophobicContact CG-CE2 3.71Å; P491-F493 HydrophobicContact CG-CG 4.41Å; P491-F493 HydrophobicContact CG-CZ 4Å; P491-F493 PolarHBondContact O-N 2.87Å; F493-F509 HydrophobicContact CE2-CE2 4.24Å; F493-T512 WeakPolarHBondContact CB-OG1 3.38Å; F493-G513 WeakPolarHBondContact CB-O 3.46Å; F493-Y522 HydrophobicContact CE2-CD2 4.29Å; F493-Y522 AromaticContact CE2-CE2 3.92Å; F493-Y522 HydrophobicContact CE2-CE2 3.92Å; F493-Y522 HydrophobicContact CZ-CD1 4.42Å; F493-Y522 HydrophobicContact CZ-CD2 4.23Å; F493-Y522 HydrophobicContact CZ-CE1 4.03Å; F493-Y522 AromaticContact CZ-CE2 3.83Å; F493-Y522 HydrophobicContact CZ-CE2 3.83Å; F493-Y522 AromaticContact CZ-CZ 3.75Å; F493-M531 HydrophobicContact CE1-CE 3.62Å; F493-M531 HydrophobicContact CE1-SD 4.48Å; F493-M531 HydrophobicContact CZ-CE 3.55Å; F493-M531 HydrophobicContact CZ-SD 3.82Å
494	D	93.9	Very high	93	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.241	C	C	.	.			trans	-79.5	124.7	-178.8	-78	-34.6	0	0	0	112.1	Y466 R467 G511 T512 G690 R691 G692	Y466-D494 WeakPolarHBondContact CA-OD1 3.22Å; R467-D494 PolarHBondContact N-OD1 3.29Å; R467-D494 IonicContact NH1-OD2 2.7Å; D494-G511 VanDerWaalsContact O-CA 3.29Å; D494-G511 WeakPolarHBondContact O-CA 3.34Å; D494-T512 HydrophobicContact CB-CG2 4.5Å; D494-T512 PolarHBondContact O-N 3.49Å; D494-G690 VanDerWaalsContact OD2-CA 3.25Å; D494-G690 WeakPolarHBondContact OD2-CA 3.44Å; D494-G690 PolarHBondContact OD2-N 3.07Å; D494-R691 PolarHBondContact OD2-N 2.65Å; D494-G692 PolarHBondContact OD2-N 3.07Å
495	V	94.2	Very high	92.8	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.8	159.9	-176.6	0	0	0	0	108.4	I456 R467 I469 P491 F509	I456-V495 HydrophobicContact CD1-CB 4.32Å; I456-V495 HydrophobicContact CD1-CG1 3.63Å; I456-V495 HydrophobicContact CG1-CG1 4.16Å; I456-V495 HydrophobicContact CG2-CB 4.47Å; R467-V495 WeakPolarHBondContact O-CG2 3.22Å; R467-V495 PolarHBondContact O-N 2.85Å; I469-V495 HydrophobicContact CD1-CG1 4.01Å; I469-V495 HydrophobicContact CG1-CB 4.5Å; I469-V495 HydrophobicContact CG1-CG1 3.82Å; I469-V495 HydrophobicContact CG1-CG2 4.34Å; P491-V495 HydrophobicContact CG-CG2 3.74Å; V495-F509 HydrophobicContact CB-CD2 4.43Å; V495-F509 HydrophobicContact CG1-CB 4.27Å; V495-F509 HydrophobicContact CG1-CD2 3.69Å; V495-F509 HydrophobicContact CG1-CE2 4.29Å; V495-F509 HydrophobicContact CG1-CG 4.2Å; V495-F509 HydrophobicContact CG2-CD2 4.06Å; V495-F509 HydrophobicContact CG2-CE2 3.79Å; V495-F509 HydrophobicContact CG2-CZ 4.44Å
496	K	92.3	Very high	92.8	Very high	55 Å²	55	39.2 Å²	39.2	24%	0.239	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-43.9	-177.6	-72.4	-177.7	165.8	172.8	0	112.7	I456 I510 T512	I456-K496 VanDerWaalsContact CD1-C 3.41Å; I456-K496 WeakPolarHBondContact CD1-O 3.4Å; K496-I510 HydrophobicContact CB-CG2 4.31Å; K496-I510 PolarHBondContact N-O 2.58Å; K496-T512 HydrophobicContact CD-CG2 4.29Å; K496-T512 VanDerWaalsContact CE-CG2 3.46Å
497	E	92.9	Very high	92.9	Very high	58 Å²	58	35 Å²	35	27%	0.271	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	145.4	-173.3	-173.7	179.3	175.6	0	0	110.7	L499 F509 I510	E497-L499 HydrophobicContact CG-CD2 4.04Å; E497-F509 CarbonylContact O-C 3.44Å; E497-F509 VanDerWaalsContact O-CA 3.26Å; E497-F509 WeakPolarHBondContact O-CA 3.2Å; E497-F509 WeakPolarHBondContact O-CB 3.16Å; E497-I510 HydrophobicContact CB-CB 4.26Å; E497-I510 PolarHBondContact N-O 3.3Å; E497-I510 PolarHBondContact O-N 3.33Å
498	I	94.1	Very high	93	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.046	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.4	172.6	-46.7	177.1	0	0	0	107.5	I445 L454 I456 I469 V507	I445-I498 HydrophobicContact CD1-CB 4.18Å; I445-I498 HydrophobicContact CD1-CG2 3.53Å; I445-I498 HydrophobicContact CG1-CB 4.39Å; I445-I498 HydrophobicContact CG1-CG2 4.11Å; L454-I498 HydrophobicContact CB-CD1 3.99Å; I456-I498 HydrophobicContact CD1-CG1 4.12Å; I456-I498 HydrophobicContact CG1-CD1 3.99Å; I456-I498 HydrophobicContact CG1-CG1 3.79Å; I469-I498 HydrophobicContact CD1-CD1 4.39Å; I469-I498 HydrophobicContact CD1-CG1 4.02Å; I469-I498 HydrophobicContact CD1-CG2 4.48Å; I469-I498 HydrophobicContact CG1-CD1 4.24Å; I469-I498 HydrophobicContact CG1-CG1 4.19Å; I469-I498 HydrophobicContact CG2-CD1 3.72Å; I469-I498 HydrophobicContact CG2-CG1 4.48Å; I498-V507 HydrophobicContact CG2-CG1 3.95Å
499	L	94.2	Very high	93.2	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.12	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-38	-175.3	-59.9	-176.1	0	0	0	112.9	E497 I508 I510 V521 A546 V548	E497-L499 HydrophobicContact CG-CD2 4.04Å; L499-I508 WeakPolarHBondContact CA-O 3.29Å; L499-I508 HydrophobicContact CB-CG2 4.3Å; L499-I508 WeakPolarHBondContact CB-O 3.28Å; L499-I508 HydrophobicContact CD1-CG2 4.21Å; L499-I508 PolarHBondContact N-O 2.95Å; L499-I510 HydrophobicContact CD1-CD1 4.2Å; L499-I510 HydrophobicContact CD1-CG1 3.76Å; L499-I510 HydrophobicContact CD2-CD1 4.03Å; L499-I510 HydrophobicContact CD2-CG1 4.06Å; L499-I510 HydrophobicContact CG-CD1 4.46Å; L499-I510 HydrophobicContact CG-CG1 4Å; L499-V521 HydrophobicContact CD1-CG1 4.05Å; L499-V521 HydrophobicContact CD1-CG2 4.38Å; L499-A546 HydrophobicContact CD1-CB 3.92Å; L499-A546 WeakPolarHBondContact CD2-O 3.22Å; L499-V548 HydrophobicContact CB-CB 4.45Å; L499-V548 HydrophobicContact CB-CG2 3.8Å; L499-V548 HydrophobicContact CD1-CG2 4.24Å
500	H	94.5	Very high	93.3	Very high	28 Å²	28	30.9 Å²	30.9	13%	0.13	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	147.6	-176.3	-174.6	74.6	0	0	0	111.7	V507 I508 V548	H500-V507 WeakPolarHBondContact O-CA 3.43Å; H500-I508 HydrophobicContact CB-CB 4.12Å; H500-I508 HydrophobicContact CB-CD1 4.42Å; H500-I508 HydrophobicContact CB-CG1 4.47Å; H500-I508 PolarHBondContact N-O 3.36Å; H500-I508 PolarHBondContact O-N 3.48Å; H500-V548 HydrophobicContact CB-CB 3.82Å; H500-V548 HydrophobicContact CB-CG1 3.67Å; H500-V548 HydrophobicContact CB-CG2 4.08Å
501	Y	94.4	Very high	93.4	Very high	19 Å²	19	28.6 Å²	28.6	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.3	166.6	177.6	-132.2	0	0	0	107.9	N447 L454 G503 N504 E506 V507	N447-Y501 HydrophobicContact CB-CD1 4.09Å; N447-Y501 HydrophobicContact CB-CE1 3.88Å; L454-Y501 HydrophobicContact CD1-CD1 3.46Å; L454-Y501 VanDerWaalsContact CD1-CD1 3.46Å; L454-Y501 HydrophobicContact CD1-CE1 3.53Å; L454-Y501 HydrophobicContact CD1-CG 4.04Å; L454-Y501 HydrophobicContact CD2-CD1 3.92Å; L454-Y501 HydrophobicContact CD2-CD2 3.79Å; L454-Y501 HydrophobicContact CD2-CE1 4.37Å; L454-Y501 HydrophobicContact CD2-CE2 4.27Å; L454-Y501 HydrophobicContact CD2-CG 3.57Å; L454-Y501 HydrophobicContact CG-CD1 4.35Å; L454-Y501 HydrophobicContact CG-CG 4.48Å; Y501-G503 VanDerWaalsContact CE1-CA 3.48Å; Y501-G503 VanDerWaalsContact CZ-C 3.47Å; Y501-G503 PolarHBondContact O-N 3.27Å; Y501-N504 PolarHBondContact OH-O 2.84Å; Y501-N504 VanDerWaalsContact OH-O 3.09Å; Y501-E506 WeakPolarHBondContact CA-O 3.46Å; Y501-E506 WeakPolarHBondContact CD2-O 3.12Å; Y501-V507 HydrophobicContact CD2-CG2 3.6Å; Y501-V507 HydrophobicContact CE2-CG2 4.14Å; Y501-V507 HydrophobicContact CG-CG2 4.49Å
502	D	91.8	Very high	93.5	Very high	71 Å²	71	28 Å²	28	38%	0.38	15%	0.145	S	C	.	.			trans	-74.3	-5.5	-179.5	70.5	-13.2	0	0	0	113.6	N504 D505 E506	D502-N504 PolarHBondContact OD1-N 2.93Å; D502-D505 PolarHBondContact OD1-N 3.12Å; D502-E506 HydrophobicContact CB-CB 4.18Å; D502-E506 VanDerWaalsContact CG-N 3.27Å; D502-E506 PolarHBondContact N-O 3.04Å; D502-E506 VanDerWaalsContact N-O 3.1Å; D502-E506 PolarHBondContact OD1-N 2.74Å; D502-E506 WeakPolarHBondContact OD2-CB 3.38Å; D502-E506 PolarHBondContact OD2-N 3.45Å; D502-E506 VanDerWaalsContact OD2-N 3.11Å
503	G	89.4	Confident	93.5	Very high	14 Å²	14	22.5 Å²	22.5	14%	0.144	12%	0.115	C	C	.	.	S	Bend	trans	94.4	-2.5	-176.6	0	0	0	0	0	114.3	N447 N450 Y501	N447-G503 WeakPolarHBondContact ND2-CA 3.41Å; N447-G503 PolarHBondContact ND2-O 2.94Å; N450-G503 PolarHBondContact ND2-O 3.15Å; Y501-G503 VanDerWaalsContact CE1-CA 3.48Å; Y501-G503 VanDerWaalsContact CZ-C 3.47Å; Y501-G503 PolarHBondContact O-N 3.27Å
504	N	88	Confident	93.4	Very high	117 Å²	117	27.9 Å²	27.9	63%	0.626	15%	0.152	S	C	*	.	S	Bend	trans	-140	-61.4	-175.4	-173	28.7	0	0	0	113.7	Y501 D502	Y501-N504 PolarHBondContact OH-O 2.84Å; Y501-N504 VanDerWaalsContact OH-O 3.09Å; D502-N504 PolarHBondContact OD1-N 2.93Å
505	D	88.7	Confident	93.4	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.134	16%	0.162	C	C	.	.	S	Bend	trans	-137.6	-43.4	-164.1	-172.9	44.5	0	0	0	113.5	D502 S525 Q526 S527	D502-D505 PolarHBondContact OD1-N 3.12Å; D505-S525 WeakPolarHBondContact OD2-CB 3.43Å; D505-S525 PolarHBondContact OD2-OG 3.32Å; D505-Q526 VanDerWaalsContact OD1-CA 3.29Å; D505-Q526 WeakPolarHBondContact OD1-CA 3.46Å; D505-Q526 VanDerWaalsContact OD1-CB 3.25Å; D505-Q526 WeakPolarHBondContact OD1-CB 3.45Å; D505-Q526 PolarHBondContact OD1-N 2.79Å; D505-S527 PolarHBondContact OD1-N 2.89Å; D505-S527 WeakPolarHBondContact OD2-CB 3.38Å; D505-S527 PolarHBondContact OD2-OG 3.01Å
506	E	92.9	Very high	93.4	Very high	23 Å²	23	30.1 Å²	30.1	11%	0.107	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130	-174.8	-61.7	-170.2	-179.8	0	0	112.8	Y501 D502 W523 T524 R574 F576	Y501-E506 WeakPolarHBondContact CA-O 3.46Å; Y501-E506 WeakPolarHBondContact CD2-O 3.12Å; D502-E506 HydrophobicContact CB-CB 4.18Å; D502-E506 VanDerWaalsContact CG-N 3.27Å; D502-E506 PolarHBondContact N-O 3.04Å; D502-E506 VanDerWaalsContact N-O 3.1Å; D502-E506 PolarHBondContact OD1-N 2.74Å; D502-E506 WeakPolarHBondContact OD2-CB 3.38Å; D502-E506 PolarHBondContact OD2-N 3.45Å; D502-E506 VanDerWaalsContact OD2-N 3.11Å; E506-W523 VanDerWaalsContact CD-NE1 3.34Å; E506-W523 HydrophobicContact CG-CZ2 3.81Å; E506-W523 PolarHBondContact OE2-NE1 3.15Å; E506-T524 WeakPolarHBondContact CA-O 3.39Å; E506-R574 IonicContact OE1-NE 2.74Å; E506-R574 IonicContact OE2-CZ 3.85Å; E506-R574 IonicContact OE2-NE 3.78Å; E506-R574 PolarHBondContact OE2-NE 2.97Å; E506-R574 IonicContact OE2-NH2 3.36Å; E506-R574 PolarHBondContact OE2-NH2 3.44Å; E506-F576 WeakPolarHBondContact OE1-CZ 3.22Å
507	V	95.5	Very high	93.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.3	173.8	-178.9	0	0	0	0	110.2	L454 I469 I488 I498 H500 Y501 F509 W523 T524	L454-V507 HydrophobicContact CD2-CG2 3.91Å; I469-V507 HydrophobicContact CD1-CG1 3.76Å; I488-V507 HydrophobicContact CD1-CG2 4.15Å; I488-V507 HydrophobicContact CG2-CG2 4.13Å; I498-V507 HydrophobicContact CG2-CG1 3.95Å; H500-V507 WeakPolarHBondContact O-CA 3.43Å; Y501-V507 HydrophobicContact CD2-CG2 3.6Å; Y501-V507 HydrophobicContact CE2-CG2 4.14Å; Y501-V507 HydrophobicContact CG-CG2 4.49Å; V507-F509 HydrophobicContact CG1-CD1 4.24Å; V507-W523 CarbonylContact O-C 3.5Å; V507-W523 WeakPolarHBondContact O-CA 3.33Å; V507-T524 HydrophobicContact CB-CG2 4Å; V507-T524 PolarHBondContact N-O 3.48Å; V507-T524 PolarHBondContact O-N 2.73Å
508	I	96.2	Very high	93.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.3	169.4	-55.5	174.8	0	0	0	108.5	L499 H500 V521 Y522 W523 V548 I572	L499-I508 WeakPolarHBondContact CA-O 3.29Å; L499-I508 HydrophobicContact CB-CG2 4.3Å; L499-I508 WeakPolarHBondContact CB-O 3.28Å; L499-I508 HydrophobicContact CD1-CG2 4.21Å; L499-I508 PolarHBondContact N-O 2.95Å; H500-I508 HydrophobicContact CB-CB 4.12Å; H500-I508 HydrophobicContact CB-CD1 4.42Å; H500-I508 HydrophobicContact CB-CG1 4.47Å; H500-I508 PolarHBondContact N-O 3.36Å; H500-I508 PolarHBondContact O-N 3.48Å; I508-V521 HydrophobicContact CG2-CG1 3.55Å; I508-Y522 CarbonylContact C-O 3.56Å; I508-Y522 VanDerWaalsContact CA-O 3.25Å; I508-Y522 WeakPolarHBondContact CA-O 3.19Å; I508-Y522 WeakPolarHBondContact CG2-O 3.38Å; I508-W523 HydrophobicContact CG1-CB 4.4Å; I508-W523 HydrophobicContact CG1-CG 4.47Å; I508-V548 HydrophobicContact CB-CG2 4.25Å; I508-V548 HydrophobicContact CD1-CG1 4.4Å; I508-V548 HydrophobicContact CD1-CG2 4.09Å; I508-V548 HydrophobicContact CG2-CG2 3.9Å; I508-I572 HydrophobicContact CD1-CD1 3.67Å
509	F	95.5	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	163	-174.3	67.5	-95.3	0	0	0	112	I469 I489 F493 V495 E497 V507 V521 Y522 T524 M531	I469-F509 HydrophobicContact CD1-CB 3.74Å; I469-F509 HydrophobicContact CD1-CD1 3.73Å; I469-F509 HydrophobicContact CD1-CD2 4.48Å; I469-F509 HydrophobicContact CD1-CE1 4.41Å; I469-F509 HydrophobicContact CD1-CG 3.76Å; I489-F509 HydrophobicContact CD1-CE1 4.1Å; I489-F509 HydrophobicContact CD1-CZ 4.03Å; I489-F509 HydrophobicContact CG2-CE1 4.1Å; I489-F509 HydrophobicContact CG2-CZ 4.34Å; F493-F509 HydrophobicContact CE2-CE2 4.24Å; V495-F509 HydrophobicContact CB-CD2 4.43Å; V495-F509 HydrophobicContact CG1-CB 4.27Å; V495-F509 HydrophobicContact CG1-CD2 3.69Å; V495-F509 HydrophobicContact CG1-CE2 4.29Å; V495-F509 HydrophobicContact CG1-CG 4.2Å; V495-F509 HydrophobicContact CG2-CD2 4.06Å; V495-F509 HydrophobicContact CG2-CE2 3.79Å; V495-F509 HydrophobicContact CG2-CZ 4.44Å; E497-F509 CarbonylContact O-C 3.44Å; E497-F509 VanDerWaalsContact O-CA 3.26Å; E497-F509 WeakPolarHBondContact O-CA 3.2Å; E497-F509 WeakPolarHBondContact O-CB 3.16Å; V507-F509 HydrophobicContact CG1-CD1 4.24Å; F509-V521 CarbonylContact O-C 3.49Å; F509-V521 WeakPolarHBondContact O-CA 3.29Å; F509-Y522 HydrophobicContact CD2-CD2 4.3Å; F509-Y522 AromaticContact CE2-CD2 3.79Å; F509-Y522 HydrophobicContact CE2-CD2 3.79Å; F509-Y522 AromaticContact CE2-CG 3.98Å; F509-Y522 HydrophobicContact CE2-CG 3.98Å; F509-Y522 HydrophobicContact CZ-CD2 4.35Å; F509-Y522 HydrophobicContact CZ-CG 4.07Å; F509-Y522 PolarHBondContact N-O 2.7Å; F509-Y522 PolarHBondContact O-N 2.74Å; F509-T524 HydrophobicContact CD1-CG2 4.35Å; F509-T524 HydrophobicContact CE1-CG2 3.85Å; F509-M531 HydrophobicContact CE1-SD 4.3Å; F509-M531 HydrophobicContact CE2-SD 4.46Å; F509-M531 HydrophobicContact CZ-CG 4.45Å; F509-M531 HydrophobicContact CZ-SD 3.57Å; F509-M531 VanDerWaalsContact CZ-SD 3.57Å
510	I	95.5	Very high	93.8	Very high	6 Å²	6	26 Å²	26	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.2	170.3	-60.9	-177	0	0	0	109.2	K496 E497 L499 S519 H520 V521	K496-I510 HydrophobicContact CB-CG2 4.31Å; K496-I510 PolarHBondContact N-O 2.58Å; E497-I510 HydrophobicContact CB-CB 4.26Å; E497-I510 PolarHBondContact N-O 3.3Å; E497-I510 PolarHBondContact O-N 3.33Å; L499-I510 HydrophobicContact CD1-CD1 4.2Å; L499-I510 HydrophobicContact CD1-CG1 3.76Å; L499-I510 HydrophobicContact CD2-CD1 4.03Å; L499-I510 HydrophobicContact CD2-CG1 4.06Å; L499-I510 HydrophobicContact CG-CD1 4.46Å; L499-I510 HydrophobicContact CG-CG1 4Å; I510-S519 WeakPolarHBondContact CG2-OG 3.15Å; I510-H520 VanDerWaalsContact CA-O 3.31Å; I510-H520 WeakPolarHBondContact CA-O 3.49Å; I510-V521 HydrophobicContact CG1-CG2 4.4Å
511	G	95.4	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.6	172.6	0	0	0	0	0	111.9	D494 G513 H520	D494-G511 VanDerWaalsContact O-CA 3.29Å; D494-G511 WeakPolarHBondContact O-CA 3.34Å; G511-G513 VanDerWaalsContact C-N 3.27Å; G511-G513 PolarHBondContact O-N 3.28Å; G511-H520 PolarHBondContact N-O 3.23Å; G511-H520 PolarHBondContact O-N 2.92Å
512	T	94.6	Very high	94	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	14%	0.139	C	C	.	.			trans	-67.5	-32	178	58.7	0	0	0	0	112.4	F493 D494 K496 N518	F493-T512 WeakPolarHBondContact CB-OG1 3.38Å; D494-T512 HydrophobicContact CB-CG2 4.5Å; D494-T512 PolarHBondContact O-N 3.49Å; K496-T512 HydrophobicContact CD-CG2 4.29Å; K496-T512 VanDerWaalsContact CE-CG2 3.46Å; T512-N518 WeakPolarHBondContact CA-O 3.47Å; T512-N518 VanDerWaalsContact O-CB 3.3Å; T512-N518 WeakPolarHBondContact O-CB 3.05Å
513	G	94.3	Very high	94.2	Very high	1 Å²	1	21 Å²	21	1%	0.01	12%	0.121	C	C	.	.			trans	73.1	-171.6	-163	0	0	0	0	0	112	F493 G511 D515 Y522	F493-G513 WeakPolarHBondContact CB-O 3.46Å; G511-G513 VanDerWaalsContact C-N 3.27Å; G511-G513 PolarHBondContact O-N 3.28Å; G513-D515 PolarHBondContact O-N 2.82Å; G513-D515 VanDerWaalsContact O-N 3.07Å; G513-Y522 WeakPolarHBondContact CA-OH 3.27Å
514	P	92.6	Very high	94.5	Very high	128 Å²	128	20.7 Å²	20.7	83%	0.831	12%	0.117	S	C	*	.	S	Bend	trans	-59.7	-19.8	-178	-24.5	34.5	0	0	0	114.8
515	D	94.2	Very high	94.6	Very high	44 Å²	44	15.1 Å²	15.1	24%	0.235	9%	0.087	C	C	.	.	S	Bend	trans	-107.5	120.2	175.5	-164.8	-34.5	0	0	0	110.2	G513 K517 N518	G513-D515 PolarHBondContact O-N 2.82Å; G513-D515 VanDerWaalsContact O-N 3.07Å; D515-K517 PolarHBondContact O-N 2.81Å; D515-K517 VanDerWaalsContact O-N 3.08Å; D515-K517 VanDerWaalsContact OD1-CB 3.3Å; D515-K517 WeakPolarHBondContact OD1-CB 3.48Å; D515-K517 WeakPolarHBondContact OD1-CE 3.33Å; D515-K517 WeakPolarHBondContact OD1-CG 2.98Å; D515-K517 PolarHBondContact OD1-N 2.98Å; D515-K517 IonicContact OD1-NZ 3.17Å; D515-K517 PolarHBondContact OD1-NZ 3.48Å; D515-K517 WeakPolarHBondContact OD2-CE 3.43Å; D515-K517 IonicContact OD2-NZ 2.76Å; D515-K517 PolarHBondContact OD2-NZ 2.84Å; D515-N518 PolarHBondContact O-N 3.37Å; D515-N518 VanDerWaalsContact O-N 3.15Å
516	S	94.5	Very high	94.5	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.063	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.9	-178	60.7	0	0	0	0	114.1	N518 Q658 G690	S516-N518 VanDerWaalsContact C-N 3.31Å; S516-Q658 PolarHBondContact O-NE2 3.35Å; S516-G690 WeakPolarHBondContact CB-O 3.47Å
517	K	94.8	Very high	94.1	Very high	12 Å²	12	21.2 Å²	21.2	5%	0.052	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.9	179.2	-58.4	-175.9	-79.2	-61.8	0	112.6	D515 Y543 Y612 E628 V660 T661 S662	D515-K517 PolarHBondContact O-N 2.81Å; D515-K517 VanDerWaalsContact O-N 3.08Å; D515-K517 VanDerWaalsContact OD1-CB 3.3Å; D515-K517 WeakPolarHBondContact OD1-CB 3.48Å; D515-K517 WeakPolarHBondContact OD1-CE 3.33Å; D515-K517 WeakPolarHBondContact OD1-CG 2.98Å; D515-K517 PolarHBondContact OD1-N 2.98Å; D515-K517 IonicContact OD1-NZ 3.17Å; D515-K517 PolarHBondContact OD1-NZ 3.48Å; D515-K517 WeakPolarHBondContact OD2-CE 3.43Å; D515-K517 IonicContact OD2-NZ 2.76Å; D515-K517 PolarHBondContact OD2-NZ 2.84Å; K517-Y543 WeakPolarHBondContact O-CD2 3.26Å; K517-Y612 HydrophobicContact CD-CD1 3.55Å; K517-Y612 HydrophobicContact CD-CE1 4.17Å; K517-Y612 HydrophobicContact CD-CG 4.2Å; K517-E628 HydrophobicContact CG-CG 4.49Å; K517-E628 IonicContact NZ-OE1 2.8Å; K517-E628 PolarHBondContact NZ-OE1 3.45Å; K517-E628 IonicContact NZ-OE2 2.71Å; K517-E628 PolarHBondContact NZ-OE2 3.33Å; K517-V660 HydrophobicContact CD-CG1 3.6Å; K517-V660 HydrophobicContact CG-CG1 3.9Å; K517-V660 WeakPolarHBondContact CG-O 3.21Å; K517-T661 WeakPolarHBondContact O-CA 3.41Å; K517-S662 PolarHBondContact O-N 2.9Å; K517-S662 PolarHBondContact O-OG 3.06Å; K517-S662 VanDerWaalsContact O-OG 3.14Å
518	N	95.6	Very high	93.6	Very high	27 Å²	27	24.2 Å²	24.2	14%	0.144	14%	0.136	C	C	.	.			trans	-92	168.8	-170.9	-70.3	-5.6	0	0	0	112.7	T512 D515 S516 H520 T542 S662	T512-N518 WeakPolarHBondContact CA-O 3.47Å; T512-N518 VanDerWaalsContact O-CB 3.3Å; T512-N518 WeakPolarHBondContact O-CB 3.05Å; D515-N518 PolarHBondContact O-N 3.37Å; D515-N518 VanDerWaalsContact O-N 3.15Å; S516-N518 VanDerWaalsContact C-N 3.31Å; N518-H520 PolarHBondContact ND2-NE2 2.9Å; N518-T542 CarbonylContact C-O 3.54Å; N518-T542 VanDerWaalsContact CA-O 3.23Å; N518-T542 WeakPolarHBondContact CA-O 3.27Å; N518-T542 WeakPolarHBondContact CB-O 3.47Å; N518-S662 WeakPolarHBondContact OD1-CB 3.49Å; N518-S662 PolarHBondContact OD1-OG 2.78Å
519	S	95.3	Very high	92.6	Very high	7 Å²	7	27.1 Å²	27.1	5%	0.049	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-147.1	103.3	173.1	-174.4	0	0	0	0	107.9	I510 T542 Y543 N544	I510-S519 WeakPolarHBondContact CG2-OG 3.15Å; S519-T542 PolarHBondContact N-O 3.45Å; S519-Y543 CarbonylContact O-C 3.6Å; S519-N544 WeakPolarHBondContact O-CB 3.48Å; S519-N544 PolarHBondContact O-N 2.7Å; S519-N544 PolarHBondContact O-ND2 2.74Å; S519-N544 PolarHBondContact OG-O 2.77Å
520	H	96.4	Very high	92	Very high	13 Å²	13	32 Å²	32	6%	0.06	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.1	-173.7	-72.5	-64.6	0	0	0	111.6	I510 G511 N518 Y522 T535 N541	I510-H520 VanDerWaalsContact CA-O 3.31Å; I510-H520 WeakPolarHBondContact CA-O 3.49Å; G511-H520 PolarHBondContact N-O 3.23Å; G511-H520 PolarHBondContact O-N 2.92Å; N518-H520 PolarHBondContact ND2-NE2 2.9Å; H520-Y522 HydrophobicContact CB-CD2 4.3Å; H520-Y522 HydrophobicContact CB-CE2 3.56Å; H520-Y522 VanDerWaalsContact O-CD2 3.29Å; H520-Y522 WeakPolarHBondContact O-CD2 3.35Å; H520-Y522 WeakPolarHBondContact O-CE2 3.44Å; H520-T535 WeakPolarHBondContact CA-OG1 3.44Å; H520-T535 WeakPolarHBondContact CB-OG1 3.48Å; H520-T535 PolarHBondContact ND1-OG1 3.25Å; H520-N541 PolarHBondContact CE1-O 2.86Å; H520-N541 PolarHBondContact ND1-O 2.99Å
521	V	96.5	Very high	91.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.1	168.9	-173.1	0	0	0	0	109.4	L499 I508 F509 I510 L534 T535 A546 L555	L499-V521 HydrophobicContact CD1-CG1 4.05Å; L499-V521 HydrophobicContact CD1-CG2 4.38Å; I508-V521 HydrophobicContact CG2-CG1 3.55Å; F509-V521 CarbonylContact O-C 3.49Å; F509-V521 WeakPolarHBondContact O-CA 3.29Å; I510-V521 HydrophobicContact CG1-CG2 4.4Å; V521-L534 HydrophobicContact CB-CB 4.4Å; V521-L534 HydrophobicContact CG1-CB 4.42Å; V521-L534 HydrophobicContact CG1-CD1 4.13Å; V521-L534 PolarHBondContact O-N 3.33Å; V521-T535 HydrophobicContact CB-CG2 3.91Å; V521-T535 HydrophobicContact CG2-CG2 3.89Å; V521-T535 PolarHBondContact N-OG1 2.69Å; V521-T535 VanDerWaalsContact N-OG1 3.15Å; V521-A546 HydrophobicContact CG2-CB 3.64Å; V521-L555 HydrophobicContact CG1-CD1 4.36Å; V521-L555 HydrophobicContact CG1-CD2 4.48Å
522	Y	96.6	Very high	91.7	Very high	11 Å²	11	36.6 Å²	36.6	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.4	177.2	-67	-84.7	0	0	0	110.6	F493 I508 F509 G513 H520 M531 T532 C533	F493-Y522 HydrophobicContact CE2-CD2 4.29Å; F493-Y522 AromaticContact CE2-CE2 3.92Å; F493-Y522 HydrophobicContact CE2-CE2 3.92Å; F493-Y522 HydrophobicContact CZ-CD1 4.42Å; F493-Y522 HydrophobicContact CZ-CD2 4.23Å; F493-Y522 HydrophobicContact CZ-CE1 4.03Å; F493-Y522 AromaticContact CZ-CE2 3.83Å; F493-Y522 HydrophobicContact CZ-CE2 3.83Å; F493-Y522 AromaticContact CZ-CZ 3.75Å; I508-Y522 CarbonylContact C-O 3.56Å; I508-Y522 VanDerWaalsContact CA-O 3.25Å; I508-Y522 WeakPolarHBondContact CA-O 3.19Å; I508-Y522 WeakPolarHBondContact CG2-O 3.38Å; F509-Y522 HydrophobicContact CD2-CD2 4.3Å; F509-Y522 AromaticContact CE2-CD2 3.79Å; F509-Y522 HydrophobicContact CE2-CD2 3.79Å; F509-Y522 AromaticContact CE2-CG 3.98Å; F509-Y522 HydrophobicContact CE2-CG 3.98Å; F509-Y522 HydrophobicContact CZ-CD2 4.35Å; F509-Y522 HydrophobicContact CZ-CG 4.07Å; F509-Y522 PolarHBondContact N-O 2.7Å; F509-Y522 PolarHBondContact O-N 2.74Å; G513-Y522 WeakPolarHBondContact CA-OH 3.27Å; H520-Y522 HydrophobicContact CB-CD2 4.3Å; H520-Y522 HydrophobicContact CB-CE2 3.56Å; H520-Y522 VanDerWaalsContact O-CD2 3.29Å; H520-Y522 WeakPolarHBondContact O-CD2 3.35Å; H520-Y522 WeakPolarHBondContact O-CE2 3.44Å; Y522-M531 HydrophobicContact CD1-CE 4.05Å; Y522-M531 HydrophobicContact CD1-CG 3.79Å; Y522-M531 HydrophobicContact CD1-SD 3.64Å; Y522-M531 HydrophobicContact CE1-CE 4.16Å; Y522-M531 HydrophobicContact CE1-SD 4.3Å; Y522-M531 HydrophobicContact CG-CG 4.28Å; Y522-M531 HydrophobicContact CG-SD 3.95Å; Y522-T532 CarbonylContact C-O 3.5Å; Y522-T532 WeakPolarHBondContact CA-O 3.03Å; Y522-C533 HydrophobicContact CD1-CB 3.9Å; Y522-C533 HydrophobicContact CE1-CB 3.58Å
523	W	95.9	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.7	166.3	173.5	97.5	0	0	0	108.6	E506 V507 I508 M531 T532 L534 F576 F582 V584	E506-W523 VanDerWaalsContact CD-NE1 3.34Å; E506-W523 HydrophobicContact CG-CZ2 3.81Å; E506-W523 PolarHBondContact OE2-NE1 3.15Å; V507-W523 CarbonylContact O-C 3.5Å; V507-W523 WeakPolarHBondContact O-CA 3.33Å; I508-W523 HydrophobicContact CG1-CB 4.4Å; I508-W523 HydrophobicContact CG1-CG 4.47Å; W523-M531 CarbonylContact O-C 3.58Å; W523-M531 VanDerWaalsContact O-CA 3.31Å; W523-M531 WeakPolarHBondContact O-CA 3.5Å; W523-T532 PolarHBondContact N-O 3.31Å; W523-T532 PolarHBondContact O-N 3.02Å; W523-L534 HydrophobicContact CB-CD1 4.08Å; W523-L534 HydrophobicContact CB-CD2 4.08Å; W523-L534 HydrophobicContact CB-CG 4.14Å; W523-F576 HydrophobicContact CH2-CE1 4.04Å; W523-F576 HydrophobicContact CZ2-CE1 4.11Å; W523-F576 HydrophobicContact CZ2-CZ 4.14Å; W523-F582 AromaticContact CE3-CE2 3.98Å; W523-F582 HydrophobicContact CE3-CE2 3.98Å; W523-F582 HydrophobicContact CH2-CD2 4.09Å; W523-F582 AromaticContact CH2-CE2 3.96Å; W523-F582 HydrophobicContact CH2-CE2 3.96Å; W523-F582 HydrophobicContact CH2-CZ 4.28Å; W523-F582 AromaticContact CZ3-CD2 3.73Å; W523-F582 HydrophobicContact CZ3-CD2 3.73Å; W523-F582 HydrophobicContact CZ3-CE1 4.45Å; W523-F582 AromaticContact CZ3-CE2 3.19Å; W523-F582 HydrophobicContact CZ3-CE2 3.19Å; W523-F582 AromaticContact CZ3-CZ 3.58Å; W523-F582 HydrophobicContact CZ3-CZ 3.58Å; W523-V584 HydrophobicContact CB-CG1 4.41Å; W523-V584 HydrophobicContact CD2-CB 4.21Å; W523-V584 HydrophobicContact CD2-CG1 4.29Å; W523-V584 HydrophobicContact CD2-CG2 3.68Å; W523-V584 HydrophobicContact CE3-CB 4.28Å; W523-V584 HydrophobicContact CE3-CG2 3.66Å; W523-V584 HydrophobicContact CG-CB 4.45Å; W523-V584 HydrophobicContact CG-CG1 4.1Å; W523-V584 HydrophobicContact CG-CG2 4.36Å; W523-V584 HydrophobicContact CH2-CG2 3.94Å; W523-V584 HydrophobicContact CZ2-CG2 3.94Å; W523-V584 HydrophobicContact CZ3-CG2 3.84Å
524	T	95.2	Very high	91.8	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156	175.2	-169.6	0	0	0	0	110.9	I489 E506 V507 F509 N530	I489-T524 HydrophobicContact CB-CG2 4.43Å; I489-T524 HydrophobicContact CD1-CG2 4.04Å; I489-T524 HydrophobicContact CG2-CG2 4.36Å; E506-T524 WeakPolarHBondContact CA-O 3.39Å; V507-T524 HydrophobicContact CB-CG2 4Å; V507-T524 PolarHBondContact N-O 3.48Å; V507-T524 PolarHBondContact O-N 2.73Å; F509-T524 HydrophobicContact CD1-CG2 4.35Å; F509-T524 HydrophobicContact CE1-CG2 3.85Å; T524-N530 PolarHBondContact OG1-O 2.92Å
525	S	91.7	Very high	91.8	Very high	1 Å²	1	32 Å²	32	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.9	173.6	147.6	0	0	0	0	109.4	D505 S527 R528 G529	D505-S525 WeakPolarHBondContact OD2-CB 3.43Å; D505-S525 PolarHBondContact OD2-OG 3.32Å; S525-S527 PolarHBondContact OG-OG 3.04Å; S525-R528 WeakPolarHBondContact OG-CB 3.49Å; S525-R528 WeakPolarHBondContact OG-CG 3.39Å; S525-R528 PolarHBondContact OG-N 2.85Å; S525-G529 PolarHBondContact O-N 3.01Å
526	Q	86.1	Confident	91.7	Very high	91 Å²	91	33.1 Å²	33.1	43%	0.425	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-39.5	-179.3	-173.4	177.1	-8.1	0	0	111.1	D505 R528	D505-Q526 VanDerWaalsContact OD1-CA 3.29Å; D505-Q526 WeakPolarHBondContact OD1-CA 3.46Å; D505-Q526 VanDerWaalsContact OD1-CB 3.25Å; D505-Q526 WeakPolarHBondContact OD1-CB 3.45Å; D505-Q526 PolarHBondContact OD1-N 2.79Å; Q526-R528 VanDerWaalsContact C-N 3.32Å; Q526-R528 PolarHBondContact O-N 2.97Å
527	S	85.1	Confident	91.1	Very high	84 Å²	84	38.4 Å²	38.4	59%	0.587	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.3	178.6	72.6	0	0	0	0	113.2	D505 S525	D505-S527 PolarHBondContact OD1-N 2.89Å; D505-S527 WeakPolarHBondContact OD2-CB 3.38Å; D505-S527 PolarHBondContact OD2-OG 3.01Å; S525-S527 PolarHBondContact OG-OG 3.04Å
528	R	83.5	Confident	90.5	Very high	64 Å²	64	41.3 Å²	41.3	24%	0.242	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-15.7	-178.2	-60.8	177.5	-175.3	-72.1	0.5	113.9	S525 Q526 N530 F582	S525-R528 WeakPolarHBondContact OG-CB 3.49Å; S525-R528 WeakPolarHBondContact OG-CG 3.39Å; S525-R528 PolarHBondContact OG-N 2.85Å; Q526-R528 VanDerWaalsContact C-N 3.32Å; Q526-R528 PolarHBondContact O-N 2.97Å; R528-N530 VanDerWaalsContact C-N 3.29Å; R528-N530 PolarHBondContact O-N 3.24Å; R528-F582 HydrophobicContact CB-CD1 4.1Å; R528-F582 HydrophobicContact CB-CE1 3.74Å; R528-F582 HydrophobicContact CG-CD1 4.46Å
529	G	75.8	Confident	89.7	Confident	62 Å²	62	45.9 Å²	45.9	64%	0.639	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	15.2	171.1	0	0	0	0	0	116.2	S525	S525-G529 PolarHBondContact O-N 3.01Å
530	N	82.1	Confident	89.1	Confident	103 Å²	103	49 Å²	49	55%	0.551	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.2	-176.1	-85.4	-21.8	0	0	0	111.5	T524 R528 F582	T524-N530 PolarHBondContact OG1-O 2.92Å; R528-N530 VanDerWaalsContact C-N 3.29Å; R528-N530 PolarHBondContact O-N 3.24Å; N530-F582 HydrophobicContact CB-CE1 3.55Å; N530-F582 HydrophobicContact CB-CE2 4.47Å; N530-F582 HydrophobicContact CB-CZ 3.27Å
531	M	91.5	Very high	88.7	Confident	66 Å²	66	48.9 Å²	48.9	33%	0.325	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.5	179.4	175.4	-176.1	66.3	0	0	110	I489 F493 F509 Y522 W523	I489-M531 HydrophobicContact CD1-CB 4.03Å; I489-M531 HydrophobicContact CD1-CG 4.15Å; I489-M531 HydrophobicContact CD1-SD 3.62Å; F493-M531 HydrophobicContact CE1-CE 3.62Å; F493-M531 HydrophobicContact CE1-SD 4.48Å; F493-M531 HydrophobicContact CZ-CE 3.55Å; F493-M531 HydrophobicContact CZ-SD 3.82Å; F509-M531 HydrophobicContact CE1-SD 4.3Å; F509-M531 HydrophobicContact CE2-SD 4.46Å; F509-M531 HydrophobicContact CZ-CG 4.45Å; F509-M531 HydrophobicContact CZ-SD 3.57Å; F509-M531 VanDerWaalsContact CZ-SD 3.57Å; Y522-M531 HydrophobicContact CD1-CE 4.05Å; Y522-M531 HydrophobicContact CD1-CG 3.79Å; Y522-M531 HydrophobicContact CD1-SD 3.64Å; Y522-M531 HydrophobicContact CE1-CE 4.16Å; Y522-M531 HydrophobicContact CE1-SD 4.3Å; Y522-M531 HydrophobicContact CG-CG 4.28Å; Y522-M531 HydrophobicContact CG-SD 3.95Å; W523-M531 CarbonylContact O-C 3.58Å; W523-M531 VanDerWaalsContact O-CA 3.31Å; W523-M531 WeakPolarHBondContact O-CA 3.5Å
532	T	94.1	Very high	88.5	Confident	36 Å²	36	50.2 Å²	50.2	22%	0.221	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.6	177.8	-58	0	0	0	0	110.5	Y522 W523 L534 F582 V584	Y522-T532 CarbonylContact C-O 3.5Å; Y522-T532 WeakPolarHBondContact CA-O 3.03Å; W523-T532 PolarHBondContact N-O 3.31Å; W523-T532 PolarHBondContact O-N 3.02Å; T532-L534 HydrophobicContact CG2-CD2 4.45Å; T532-F582 WeakPolarHBondContact OG1-CE2 3.29Å; T532-V584 WeakPolarHBondContact CG2-O 3.1Å
533	C	95.2	Very high	88.5	Confident	31 Å²	31	52.2 Å²	52.2	21%	0.209	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.2	173	-177.1	0	0	0	0	110.2	Y522 T535 C536	Y522-C533 HydrophobicContact CD1-CB 3.9Å; Y522-C533 HydrophobicContact CE1-CB 3.58Å; C533-T535 VanDerWaalsContact C-N 3.27Å; C533-T535 PolarHBondContact O-N 2.83Å; C533-C536 HydrophobicContact CB-CB 3.64Å; C533-C536 WeakPolarHBondContact CB-SG 3.45Å; C533-C536 WeakPolarHBondContact SG-CB 3.25Å; C533-C536 PolarHBondContact SG-N 3.23Å; C533-C536 CovalentContact SG-SG 2.03Å; C533-C536 PolarHBondContact SG-SG 2.82Å
534	L	94.7	Very high	88.4	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	30%	0.298	C	S	.	.	S	Bend	trans	-79.7	-9.1	-177.6	-58.3	-172.3	0	0	0	113.6	V521 W523 T532 V584 T586	V521-L534 HydrophobicContact CB-CB 4.4Å; V521-L534 HydrophobicContact CG1-CB 4.42Å; V521-L534 HydrophobicContact CG1-CD1 4.13Å; V521-L534 PolarHBondContact O-N 3.33Å; W523-L534 HydrophobicContact CB-CD1 4.08Å; W523-L534 HydrophobicContact CB-CD2 4.08Å; W523-L534 HydrophobicContact CB-CG 4.14Å; T532-L534 HydrophobicContact CG2-CD2 4.45Å; L534-V584 HydrophobicContact CD2-CB 4.13Å; L534-V584 HydrophobicContact CD2-CG1 3.69Å; L534-T586 HydrophobicContact CB-CG2 3.96Å; L534-T586 HydrophobicContact CD1-CG2 4.27Å; L534-T586 HydrophobicContact CD2-CG2 4.48Å; L534-T586 HydrophobicContact CG-CG2 4.47Å
535	T	93.5	Very high	88.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-121.4	-3.6	-174.6	52	0	0	0	0	113.7	H520 V521 C533 E537 N541	H520-T535 WeakPolarHBondContact CA-OG1 3.44Å; H520-T535 WeakPolarHBondContact CB-OG1 3.48Å; H520-T535 PolarHBondContact ND1-OG1 3.25Å; V521-T535 HydrophobicContact CB-CG2 3.91Å; V521-T535 HydrophobicContact CG2-CG2 3.89Å; V521-T535 PolarHBondContact N-OG1 2.69Å; V521-T535 VanDerWaalsContact N-OG1 3.15Å; C533-T535 VanDerWaalsContact C-N 3.27Å; C533-T535 PolarHBondContact O-N 2.83Å; T535-E537 PolarHBondContact O-N 3.22Å; T535-N541 VanDerWaalsContact O-CB 3.22Å; T535-N541 WeakPolarHBondContact O-CB 3.39Å
536	C	91	Very high	88.4	Confident	67 Å²	67	53.3 Å²	53.3	45%	0.453	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.1	-177.1	-64.5	0	0	0	0	113.9	C533 N538	C533-C536 HydrophobicContact CB-CB 3.64Å; C533-C536 WeakPolarHBondContact CB-SG 3.45Å; C533-C536 WeakPolarHBondContact SG-CB 3.25Å; C533-C536 PolarHBondContact SG-N 3.23Å; C533-C536 CovalentContact SG-SG 2.03Å; C533-C536 PolarHBondContact SG-SG 2.82Å; C536-N538 VanDerWaalsContact C-N 3.31Å; C536-N538 PolarHBondContact O-N 3.14Å
537	E	83.4	Confident	88.7	Confident	120 Å²	120	49.7 Å²	49.7	56%	0.561	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.8	179.6	66.5	-169.3	173.3	0	0	113.4	T535 K570	T535-E537 PolarHBondContact O-N 3.22Å; E537-K570 IonicContact OE1-NZ 2.74Å; E537-K570 PolarHBondContact OE1-NZ 3.39Å
538	N	81.2	Confident	89.2	Confident	72 Å²	72	46.3 Å²	46.3	39%	0.385	26%	0.26	S	S	.	.	S	Bend	trans	-121.6	131.6	-173	-173.2	-25.9	0	0	0	110.3	C536 N540 N541	C536-N538 VanDerWaalsContact C-N 3.31Å; C536-N538 PolarHBondContact O-N 3.14Å; N538-N540 PolarHBondContact O-N 3.42Å; N538-N540 VanDerWaalsContact O-N 3.12Å; N538-N540 PolarHBondContact OD1-N 2.85Å; N538-N541 HydrophobicContact CB-CB 4.3Å; N538-N541 PolarHBondContact O-N 2.9Å
539	V	79.5	Confident	89.7	Confident	123 Å²	123	43.3 Å²	43.3	75%	0.745	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-23	178	-64.7	0	0	0	0	113.9	T542	V539-T542 WeakPolarHBondContact O-CG2 3.49Å
540	N	81.9	Confident	90.1	Very high	72 Å²	72	43.2 Å²	43.2	39%	0.385	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-12	178	-69.2	-19.5	0	0	0	114	N538 T542 G561 S562	N538-N540 PolarHBondContact O-N 3.42Å; N538-N540 VanDerWaalsContact O-N 3.12Å; N538-N540 PolarHBondContact OD1-N 2.85Å; N540-T542 VanDerWaalsContact C-N 3.25Å; N540-T542 PolarHBondContact O-N 2.81Å; N540-G561 WeakPolarHBondContact O-CA 3.27Å; N540-S562 PolarHBondContact O-N 3.06Å; N540-S562 PolarHBondContact OD1-OG 3.06Å
541	N	88.7	Confident	90.4	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.064	23%	0.225	C	C	.	.			trans	-92.4	39.4	-176	-68.2	-2.4	0	0	0	112	H520 T535 N538 N544 V559	H520-N541 PolarHBondContact CE1-O 2.86Å; H520-N541 PolarHBondContact ND1-O 2.99Å; T535-N541 VanDerWaalsContact O-CB 3.22Å; T535-N541 WeakPolarHBondContact O-CB 3.39Å; N538-N541 HydrophobicContact CB-CB 4.3Å; N538-N541 PolarHBondContact O-N 2.9Å; N541-N544 PolarHBondContact O-ND2 3Å; N541-V559 WeakPolarHBondContact OD1-CG1 3.5Å; N541-V559 WeakPolarHBondContact OD1-CG2 3.45Å
542	T	93.1	Very high	90.4	Very high	27 Å²	27	37 Å²	37	17%	0.166	21%	0.21	C	C	.	.	S	Bend	trans	-76.7	-23	-175.5	46.4	0	0	0	0	113.7	N518 S519 V539 N540 S662	N518-T542 CarbonylContact C-O 3.54Å; N518-T542 VanDerWaalsContact CA-O 3.23Å; N518-T542 WeakPolarHBondContact CA-O 3.27Å; N518-T542 WeakPolarHBondContact CB-O 3.47Å; S519-T542 PolarHBondContact N-O 3.45Å; V539-T542 WeakPolarHBondContact O-CG2 3.49Å; N540-T542 VanDerWaalsContact C-N 3.25Å; N540-T542 PolarHBondContact O-N 2.81Å; T542-S662 WeakPolarHBondContact CB-OG 3.34Å; T542-S662 PolarHBondContact O-OG 3Å; T542-S662 WeakPolarHBondContact OG1-CB 3.12Å; T542-S662 PolarHBondContact OG1-OG 3.23Å
543	Y	95	Very high	90.4	Very high	54 Å²	54	40.5 Å²	40.5	21%	0.212	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-135.3	123.2	178.4	-155.8	-84.1	0	0	0	110.2	K517 S519 R560 G561 T661 A663	K517-Y543 WeakPolarHBondContact O-CD2 3.26Å; S519-Y543 CarbonylContact O-C 3.6Å; Y543-R560 HydrophobicContact CD1-CB 4.15Å; Y543-R560 CarbonylContact O-C 3.58Å; Y543-R560 WeakPolarHBondContact O-CA 3.39Å; Y543-R560 PolarHBondContact O-N 2.9Å; Y543-G561 PolarHBondContact O-N 3.22Å; Y543-T661 HydrophobicContact CE2-CG2 3.97Å; Y543-A663 HydrophobicContact CD1-CB 3.91Å; Y543-A663 HydrophobicContact CD2-CB 4.22Å; Y543-A663 HydrophobicContact CE1-CB 4.24Å; Y543-A663 HydrophobicContact CG-CB 3.88Å
544	N	94.7	Very high	90.5	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.7	-172.5	-52.7	-85.7	0	0	0	110.7	S519 N541 Q557 D558	S519-N544 WeakPolarHBondContact O-CB 3.48Å; S519-N544 PolarHBondContact O-N 2.7Å; S519-N544 PolarHBondContact O-ND2 2.74Å; S519-N544 PolarHBondContact OG-O 2.77Å; N541-N544 PolarHBondContact O-ND2 3Å; N544-Q557 PolarHBondContact OD1-NE2 2.88Å; N544-D558 WeakPolarHBondContact CA-O 3.45Å
545	W	92.8	Very high	90.5	Very high	27 Å²	27	39.8 Å²	39.8	10%	0.102	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	148.5	152.9	175.2	84.2	0	0	0	108	E547 V556 D558	W545-E547 HydrophobicContact CH2-CB 3.83Å; W545-E547 HydrophobicContact CZ2-CB 4.17Å; W545-E547 HydrophobicContact CZ3-CB 4.45Å; W545-V556 HydrophobicContact CZ3-CG1 4.34Å; W545-D558 HydrophobicContact CB-CB 4.29Å; W545-D558 HydrophobicContact CE3-CB 3.76Å; W545-D558 PolarHBondContact N-O 2.68Å; W545-D558 PolarHBondContact O-N 3.16Å
546	A	93.9	Very high	90.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	155.3	176.7	0	0	0	0	0	112.6	L499 V521 L555 V556	L499-A546 HydrophobicContact CD1-CB 3.92Å; L499-A546 WeakPolarHBondContact CD2-O 3.22Å; V521-A546 HydrophobicContact CG2-CB 3.64Å; A546-L555 HydrophobicContact CB-CD1 3.72Å; A546-L555 HydrophobicContact CB-CG 4.33Å; A546-V556 CarbonylContact C-O 3.31Å; A546-V556 WeakPolarHBondContact CA-O 3.47Å; A546-V556 WeakPolarHBondContact CB-O 3.36Å
547	E	93	Very high	90.8	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.7	170	178.6	172.8	-166.7	0	0	108.5	K8 S135 W545 V556	K8-E547 IonicContact NZ-OE1 3.57Å; K8-E547 PolarHBondContact NZ-OE1 2.78Å; S135-E547 PolarHBondContact OG-OE1 3.43Å; W545-E547 HydrophobicContact CH2-CB 3.83Å; W545-E547 HydrophobicContact CZ2-CB 4.17Å; W545-E547 HydrophobicContact CZ3-CB 4.45Å; E547-V556 PolarHBondContact N-O 2.88Å; E547-V556 PolarHBondContact O-N 2.87Å
548	V	94.4	Very high	91.3	Very high	12 Å²	12	31.5 Å²	31.5	7%	0.073	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.6	173	177.2	0	0	0	0	107.9	L499 H500 I508 L555	L499-V548 HydrophobicContact CB-CB 4.45Å; L499-V548 HydrophobicContact CB-CG2 3.8Å; L499-V548 HydrophobicContact CD1-CG2 4.24Å; H500-V548 HydrophobicContact CB-CB 3.82Å; H500-V548 HydrophobicContact CB-CG1 3.67Å; H500-V548 HydrophobicContact CB-CG2 4.08Å; I508-V548 HydrophobicContact CB-CG2 4.25Å; I508-V548 HydrophobicContact CD1-CG1 4.4Å; I508-V548 HydrophobicContact CD1-CG2 4.09Å; I508-V548 HydrophobicContact CG2-CG2 3.9Å; V548-L555 HydrophobicContact CG2-CD1 3.68Å
549	L	93.4	Very high	91.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.154	C	C	.	.			trans	-68	155	178.6	-56	-168.7	0	0	0	110.5	F140 T154 N551 G552 Y554 V556 L569	F140-L549 HydrophobicContact CB-CD1 4.23Å; F140-L549 HydrophobicContact CB-CD2 4.34Å; F140-L549 HydrophobicContact CD2-CD2 3.44Å; F140-L549 VanDerWaalsContact CD2-CD2 3.44Å; F140-L549 HydrophobicContact CE2-CD2 3.94Å; F140-L549 HydrophobicContact CG-CD1 4.45Å; F140-L549 HydrophobicContact CG-CD2 4.06Å; T154-L549 HydrophobicContact CG2-CB 4.28Å; T154-L549 HydrophobicContact CG2-CD1 3.72Å; L549-N551 PolarHBondContact O-N 3.26Å; L549-G552 PolarHBondContact O-N 2.8Å; L549-Y554 PolarHBondContact N-O 2.84Å; L549-V556 HydrophobicContact CD2-CG2 3.83Å; L549-V556 HydrophobicContact CG-CG2 4.38Å; L549-L569 HydrophobicContact CD1-CD1 4.03Å
550	A	85.7	Confident	92.3	Very high	61 Å²	61	24.3 Å²	24.3	50%	0.504	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-37.4	-168.7	0	0	0	0	0	114.7	N137 G552	N137-A550 WeakPolarHBondContact O-CB 3.31Å; A550-G552 PolarHBondContact O-N 2.82Å
551	N	88.7	Confident	92.5	Very high	37 Å²	37	20.9 Å²	20.9	20%	0.198	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.2	179.8	67.7	18.1	0	0	0	115.3	T154 L549 K553	T154-N551 PolarHBondContact O-ND2 2.96Å; T154-N551 PolarHBondContact OG1-ND2 2.94Å; L549-N551 PolarHBondContact O-N 3.26Å; N551-K553 PolarHBondContact O-N 3.01Å; N551-K553 VanDerWaalsContact O-N 3.1Å; N551-K553 WeakPolarHBondContact OD1-CB 3.25Å; N551-K553 PolarHBondContact OD1-N 2.98Å
552	G	91.6	Very high	92.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	67.7	7	179	0	0	0	0	0	115.2	L549 A550 R574	L549-G552 PolarHBondContact O-N 2.8Å; A550-G552 PolarHBondContact O-N 2.82Å; G552-R574 PolarHBondContact O-NH1 2.92Å; G552-R574 PolarHBondContact O-NH2 2.92Å
553	K	93.9	Very high	91.5	Very high	110 Å²	110	22.7 Å²	22.7	48%	0.478	12%	0.124	S	C	.	.	S	Bend	trans	-96.3	-21	-176.6	-66	174.5	-175.8	172.4	0	113.2	N551 I572	N551-K553 PolarHBondContact O-N 3.01Å; N551-K553 VanDerWaalsContact O-N 3.1Å; N551-K553 WeakPolarHBondContact OD1-CB 3.25Å; N551-K553 PolarHBondContact OD1-N 2.98Å; K553-I572 PolarHBondContact O-N 3.17Å
554	Y	95.7	Very high	90.9	Very high	19 Å²	19	20.8 Å²	20.8	8%	0.075	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.7	-174	-57.3	-79.6	0	0	0	111.8	T154 L157 L549 K570 R571 I589	T154-Y554 WeakPolarHBondContact O-CE2 3.39Å; L157-Y554 HydrophobicContact CD1-CE1 3.81Å; L157-Y554 HydrophobicContact CD2-CD1 4.32Å; L157-Y554 HydrophobicContact CD2-CE1 3.9Å; L157-Y554 HydrophobicContact CD2-CE2 4.11Å; L157-Y554 HydrophobicContact CG-CE1 4.28Å; L549-Y554 PolarHBondContact N-O 2.84Å; Y554-K570 CarbonylContact C-O 3.43Å; Y554-K570 VanDerWaalsContact CA-O 3.24Å; Y554-K570 WeakPolarHBondContact CA-O 3.2Å; Y554-R571 HydrophobicContact CE1-CB 4.48Å; Y554-R571 HydrophobicContact CE1-CG 4.25Å; Y554-I589 HydrophobicContact CD1-CD1 3.56Å; Y554-I589 HydrophobicContact CE1-CD1 3.38Å
555	L	95.6	Very high	90.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.9	179.7	-178.5	73.5	0	0	0	108.1	V521 A546 V548 Q557 K570 I572	V521-L555 HydrophobicContact CG1-CD1 4.36Å; V521-L555 HydrophobicContact CG1-CD2 4.48Å; A546-L555 HydrophobicContact CB-CD1 3.72Å; A546-L555 HydrophobicContact CB-CG 4.33Å; V548-L555 HydrophobicContact CG2-CD1 3.68Å; L555-Q557 HydrophobicContact CD2-CB 4.27Å; L555-Q557 HydrophobicContact CG-CB 4.36Å; L555-K570 HydrophobicContact CB-CB 4.29Å; L555-K570 PolarHBondContact N-O 3.48Å; L555-K570 PolarHBondContact O-N 2.92Å; L555-I572 HydrophobicContact CB-CD1 4.27Å; L555-I572 HydrophobicContact CB-CG1 4.23Å
556	V	95.6	Very high	90.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.6	162.8	-178.7	0	0	0	0	106	F131 F140 W545 A546 E547 L549 T567 L569 F592	F131-V556 HydrophobicContact CE1-CG1 4.02Å; F131-V556 HydrophobicContact CZ-CG1 3.95Å; F140-V556 HydrophobicContact CD2-CG2 4.49Å; F140-V556 HydrophobicContact CE1-CG2 4.27Å; F140-V556 HydrophobicContact CE2-CG2 3.85Å; F140-V556 HydrophobicContact CZ-CG1 4.3Å; F140-V556 HydrophobicContact CZ-CG2 3.71Å; W545-V556 HydrophobicContact CZ3-CG1 4.34Å; A546-V556 CarbonylContact C-O 3.31Å; A546-V556 WeakPolarHBondContact CA-O 3.47Å; A546-V556 WeakPolarHBondContact CB-O 3.36Å; E547-V556 PolarHBondContact N-O 2.88Å; E547-V556 PolarHBondContact O-N 2.87Å; L549-V556 HydrophobicContact CD2-CG2 3.83Å; L549-V556 HydrophobicContact CG-CG2 4.38Å; V556-T567 HydrophobicContact CG1-CG2 4.19Å; V556-L569 HydrophobicContact CG2-CD1 4.05Å; V556-F592 HydrophobicContact CG1-CD2 4.44Å; V556-F592 HydrophobicContact CG1-CE2 4.28Å; V556-F592 HydrophobicContact CG2-CE2 4.29Å
557	Q	95.1	Very high	90.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.3	-179.9	177.9	-176.2	-7.7	0	0	108.7	N544 L555 V559 T567 F568	N544-Q557 PolarHBondContact OD1-NE2 2.88Å; L555-Q557 HydrophobicContact CD2-CB 4.27Å; L555-Q557 HydrophobicContact CG-CB 4.36Å; Q557-V559 HydrophobicContact CG-CG2 4.11Å; Q557-T567 WeakPolarHBondContact O-CA 3.25Å; Q557-F568 HydrophobicContact CB-CD2 4.04Å; Q557-F568 HydrophobicContact CB-CE2 3.6Å; Q557-F568 HydrophobicContact CB-CZ 4.33Å; Q557-F568 HydrophobicContact CG-CE2 3.81Å; Q557-F568 HydrophobicContact CG-CZ 4.08Å; Q557-F568 PolarHBondContact N-O 3.11Å; Q557-F568 PolarHBondContact O-N 3.47Å; Q557-F568 VanDerWaalsContact OE1-CE2 3.22Å
558	D	93.4	Very high	90.8	Very high	14 Å²	14	22.9 Å²	22.9	8%	0.075	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	105.4	168.2	-173.3	19.8	0	0	0	108.9	N544 W545 R560 T567	N544-D558 WeakPolarHBondContact CA-O 3.45Å; W545-D558 HydrophobicContact CB-CB 4.29Å; W545-D558 HydrophobicContact CE3-CB 3.76Å; W545-D558 PolarHBondContact N-O 2.68Å; W545-D558 PolarHBondContact O-N 3.16Å; D558-R560 PolarHBondContact O-N 3.02Å; D558-R560 IonicContact OD2-CZ 2.81Å; D558-R560 IonicContact OD2-NE 3.53Å; D558-R560 PolarHBondContact OD2-NE 3.33Å; D558-R560 IonicContact OD2-NH2 2.72Å; D558-R560 PolarHBondContact OD2-NH2 2.71Å; D558-T567 HydrophobicContact CB-CG2 4.14Å; D558-T567 PolarHBondContact OD1-OG1 3.05Å
559	V	93.1	Very high	90.9	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.5	178.4	178.5	0	0	0	0	108	N541 Q557 P565 K566 F568	N541-V559 WeakPolarHBondContact OD1-CG1 3.5Å; N541-V559 WeakPolarHBondContact OD1-CG2 3.45Å; Q557-V559 HydrophobicContact CG-CG2 4.11Å; V559-P565 WeakPolarHBondContact O-CA 3.25Å; V559-K566 PolarHBondContact N-O 3.44Å; V559-K566 PolarHBondContact O-N 3.01Å; V559-K566 VanDerWaalsContact O-N 3.17Å; V559-F568 HydrophobicContact CB-CE1 4.47Å; V559-F568 HydrophobicContact CG2-CE1 3.48Å; V559-F568 VanDerWaalsContact CG2-CE1 3.48Å; V559-F568 HydrophobicContact CG2-CE2 4.4Å; V559-F568 HydrophobicContact CG2-CZ 3.3Å
560	R	88.9	Confident	91	Very high	37 Å²	37	22.3 Å²	22.3	14%	0.14	12%	0.124	C	C	.	.			trans	-121.8	10.7	178.7	-57.4	177.7	-175.1	165.4	6.1	112.1	Y543 D558 A663 F664	Y543-R560 HydrophobicContact CD1-CB 4.15Å; Y543-R560 CarbonylContact O-C 3.58Å; Y543-R560 WeakPolarHBondContact O-CA 3.39Å; Y543-R560 PolarHBondContact O-N 2.9Å; D558-R560 PolarHBondContact O-N 3.02Å; D558-R560 IonicContact OD2-CZ 2.81Å; D558-R560 IonicContact OD2-NE 3.53Å; D558-R560 PolarHBondContact OD2-NE 3.33Å; D558-R560 IonicContact OD2-NH2 2.72Å; D558-R560 PolarHBondContact OD2-NH2 2.71Å; R560-A663 CarbonylContact O-C 3.49Å; R560-A663 WeakPolarHBondContact O-CA 3.44Å; R560-F664 PolarHBondContact O-N 3.26Å
561	G	87.3	Confident	91.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-70	-151.8	-177.5	0	0	0	0	0	113.1	N540 Y543 G563 S662 F664	N540-G561 WeakPolarHBondContact O-CA 3.27Å; Y543-G561 PolarHBondContact O-N 3.22Å; G561-G563 PolarHBondContact O-N 2.95Å; G561-G563 VanDerWaalsContact O-N 3.1Å; G561-S662 CarbonylContact C-O 3.53Å; G561-S662 VanDerWaalsContact C-O 3.31Å; G561-S662 WeakPolarHBondContact CA-O 3.17Å; G561-F664 WeakPolarHBondContact O-CB 3.49Å; G561-F664 PolarHBondContact O-N 3.23Å
562	S	78.3	Confident	91.8	Very high	60 Å²	60	23.1 Å²	23.1	42%	0.42	11%	0.112	S	C	.	.	S	Bend	trans	-67.4	-11.8	-171.3	53.8	0	0	0	0	116.4	N540 S662	N540-S562 PolarHBondContact O-N 3.06Å; N540-S562 PolarHBondContact OD1-OG 3.06Å; S562-S662 PolarHBondContact N-O 2.83Å
563	G	80.7	Confident	91.9	Very high	16 Å²	16	25.4 Å²	25.4	17%	0.165	12%	0.123	C	C	.	.	S	Bend	trans	-95.1	174.9	175.7	0	0	0	0	0	112.8	G561	G561-G563 PolarHBondContact O-N 2.95Å; G561-G563 VanDerWaalsContact O-N 3.1Å
564	T	83.7	Confident	91.8	Very high	14 Å²	14	23.2 Å²	23.2	9%	0.086	11%	0.112	C	C	.	.			trans	-58.6	136.2	172.1	55.4	0	0	0	0	111.1	K566 F598 D599 V602	T564-K566 PolarHBondContact O-N 3.16Å; T564-F598 HydrophobicContact CG2-CD1 3.98Å; T564-F598 HydrophobicContact CG2-CE1 4.25Å; T564-D599 HydrophobicContact CG2-CB 3.81Å; T564-D599 WeakPolarHBondContact CG2-OD1 3.33Å; T564-V602 HydrophobicContact CG2-CB 4.22Å; T564-V602 HydrophobicContact CG2-CG1 4.34Å; T564-V602 HydrophobicContact CG2-CG2 4.24Å
565	P	90.2	Very high	91.5	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.026	13%	0.131	C	C	.	.			trans	-58.8	137.8	-176.2	-25	33.6	0	0	0	112.6	V12 V559 N595	V12-P565 HydrophobicContact CG2-CB 4.41Å; V12-P565 HydrophobicContact CG2-CG 4.28Å; V559-P565 WeakPolarHBondContact O-CA 3.25Å; P565-N595 WeakPolarHBondContact O-CB 3.43Å; P565-N595 PolarHBondContact O-ND2 2.99Å
566	K	92.8	Very high	91	Very high	74 Å²	74	30.2 Å²	30.2	32%	0.322	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	139.8	178.6	-69.3	177.3	-175	176.3	0	109.4	V559 T564 F568	V559-K566 PolarHBondContact N-O 3.44Å; V559-K566 PolarHBondContact O-N 3.01Å; V559-K566 VanDerWaalsContact O-N 3.17Å; T564-K566 PolarHBondContact O-N 3.16Å; K566-F568 HydrophobicContact CB-CD1 4.32Å; K566-F568 HydrophobicContact CB-CE1 4.37Å
567	T	95.1	Very high	90.2	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.8	178	-43.4	0	0	0	0	109.7	F131 V556 Q557 D558 F592 V593	F131-T567 HydrophobicContact CD1-CG2 3.76Å; F131-T567 HydrophobicContact CD2-CG2 4.24Å; F131-T567 HydrophobicContact CE1-CG2 3.68Å; F131-T567 HydrophobicContact CE2-CG2 4.18Å; F131-T567 HydrophobicContact CG-CG2 4.03Å; F131-T567 HydrophobicContact CZ-CG2 3.89Å; V556-T567 HydrophobicContact CG1-CG2 4.19Å; Q557-T567 WeakPolarHBondContact O-CA 3.25Å; D558-T567 HydrophobicContact CB-CG2 4.14Å; D558-T567 PolarHBondContact OD1-OG1 3.05Å; T567-F592 HydrophobicContact CG2-CB 4.46Å; T567-F592 HydrophobicContact CG2-CD2 4.37Å; T567-F592 PolarHBondContact O-N 2.92Å; T567-V593 PolarHBondContact N-O 3.49Å; T567-V593 VanDerWaalsContact N-O 3.09Å; T567-V593 PolarHBondContact O-N 2.77Å
568	F	93.2	Very high	89.3	Confident	10 Å²	10	43.4 Å²	43.4	4%	0.044	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.8	-177.6	43.8	-105.6	0	0	0	112.7	Q557 V559 K566 K570 I588 K590 Y591	Q557-F568 HydrophobicContact CB-CD2 4.04Å; Q557-F568 HydrophobicContact CB-CE2 3.6Å; Q557-F568 HydrophobicContact CB-CZ 4.33Å; Q557-F568 HydrophobicContact CG-CE2 3.81Å; Q557-F568 HydrophobicContact CG-CZ 4.08Å; Q557-F568 PolarHBondContact N-O 3.11Å; Q557-F568 PolarHBondContact O-N 3.47Å; Q557-F568 VanDerWaalsContact OE1-CE2 3.22Å; V559-F568 HydrophobicContact CB-CE1 4.47Å; V559-F568 HydrophobicContact CG2-CE1 3.48Å; V559-F568 VanDerWaalsContact CG2-CE1 3.48Å; V559-F568 HydrophobicContact CG2-CE2 4.4Å; V559-F568 HydrophobicContact CG2-CZ 3.3Å; K566-F568 HydrophobicContact CB-CD1 4.32Å; K566-F568 HydrophobicContact CB-CE1 4.37Å; F568-K570 HydrophobicContact CD2-CD 3.85Å; F568-K570 HydrophobicContact CD2-CG 3.76Å; F568-K570 HydrophobicContact CE2-CD 3.46Å; F568-K570 VanDerWaalsContact CE2-CD 3.46Å; F568-K570 HydrophobicContact CE2-CG 3.92Å; F568-I588 HydrophobicContact CB-CG2 4.26Å; F568-I588 HydrophobicContact CD2-CG1 4.27Å; F568-I588 HydrophobicContact CE2-CG1 4.47Å; F568-K590 CarbonylContact C-O 3.54Å; F568-K590 WeakPolarHBondContact CA-O 3.29Å; F568-K590 WeakPolarHBondContact CB-O 3.46Å; F568-Y591 HydrophobicContact CB-CD1 4.26Å; F568-Y591 HydrophobicContact CD1-CD1 4.39Å; F568-Y591 HydrophobicContact CD1-CE1 4.25Å
569	L	96.1	Very high	88.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.4	168.6	-173.9	68.5	0	0	0	109.4	M152 L157 L549 V556 I589 K590 F592	M152-L569 HydrophobicContact CE-CD2 4.12Å; M152-L569 HydrophobicContact SD-CD2 3.65Å; L157-L569 HydrophobicContact CD2-CD2 4.07Å; L549-L569 HydrophobicContact CD1-CD1 4.03Å; V556-L569 HydrophobicContact CG2-CD1 4.05Å; L569-I589 HydrophobicContact CD2-CD1 4.43Å; L569-I589 PolarHBondContact O-N 3.15Å; L569-K590 HydrophobicContact CB-CB 4.24Å; L569-K590 PolarHBondContact N-O 3.18Å; L569-K590 PolarHBondContact O-N 3.37Å; L569-F592 HydrophobicContact CB-CE2 3.7Å; L569-F592 HydrophobicContact CB-CZ 3.94Å; L569-F592 HydrophobicContact CD1-CE2 4.44Å
570	K	95.8	Very high	87.1	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.9	175.2	-85.1	175.2	162.5	-165.4	0	112	E537 Y554 L555 F568 T586 E587 I588	E537-K570 IonicContact OE1-NZ 2.74Å; E537-K570 PolarHBondContact OE1-NZ 3.39Å; Y554-K570 CarbonylContact C-O 3.43Å; Y554-K570 VanDerWaalsContact CA-O 3.24Å; Y554-K570 WeakPolarHBondContact CA-O 3.2Å; L555-K570 HydrophobicContact CB-CB 4.29Å; L555-K570 PolarHBondContact N-O 3.48Å; L555-K570 PolarHBondContact O-N 2.92Å; F568-K570 HydrophobicContact CD2-CD 3.85Å; F568-K570 HydrophobicContact CD2-CG 3.76Å; F568-K570 HydrophobicContact CE2-CD 3.46Å; F568-K570 VanDerWaalsContact CE2-CD 3.46Å; F568-K570 HydrophobicContact CE2-CG 3.92Å; K570-T586 WeakPolarHBondContact CD-OG1 3.46Å; K570-T586 WeakPolarHBondContact CE-OG1 3.48Å; K570-T586 PolarHBondContact NZ-OG1 3.1Å; K570-E587 CarbonylContact C-O 3.6Å; K570-E587 WeakPolarHBondContact CA-O 3.19Å; K570-I588 HydrophobicContact CD-CG1 4.38Å; K570-I588 HydrophobicContact CG-CB 4.49Å; K570-I588 HydrophobicContact CG-CG1 3.92Å
571	R	96	Very high	86.5	Confident	105 Å²	105	56 Å²	56	40%	0.396	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	136.8	164.9	-164.2	170.5	-68.7	-173.9	-0.3	109.5	Y554 I573 T586 E587 I589	Y554-R571 HydrophobicContact CE1-CB 4.48Å; Y554-R571 HydrophobicContact CE1-CG 4.25Å; R571-I573 HydrophobicContact CG-CG1 4.33Å; R571-T586 CarbonylContact O-C 3.58Å; R571-T586 WeakPolarHBondContact O-CA 3.45Å; R571-E587 HydrophobicContact CB-CB 4.49Å; R571-E587 PolarHBondContact N-O 2.96Å; R571-E587 PolarHBondContact O-N 3.08Å; R571-I589 HydrophobicContact CB-CD1 3.77Å; R571-I589 HydrophobicContact CB-CG1 4.08Å
572	I	95.7	Very high	86.2	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.051	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.2	169.6	-58.9	164	0	0	0	108	I508 K553 L555 R574 V584	I508-I572 HydrophobicContact CD1-CD1 3.67Å; K553-I572 PolarHBondContact O-N 3.17Å; L555-I572 HydrophobicContact CB-CD1 4.27Å; L555-I572 HydrophobicContact CB-CG1 4.23Å; I572-R574 HydrophobicContact CG2-CG 4.34Å; I572-V584 HydrophobicContact CG2-CG1 3.83Å
573	I	94.6	Very high	86.6	Confident	48 Å²	48	58.1 Å²	58.1	25%	0.246	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.2	-179	-57.8	171.5	0	0	0	108.3	R571 V584 T585 E587	R571-I573 HydrophobicContact CG-CG1 4.33Å; I573-V584 WeakPolarHBondContact O-CA 3.4Å; I573-T585 PolarHBondContact N-O 2.81Å; I573-T585 PolarHBondContact O-N 2.93Å; I573-E587 HydrophobicContact CD1-CB 3.81Å
574	R	91.7	Very high	87.1	Confident	65 Å²	65	57.5 Å²	57.5	25%	0.245	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.8	-179.7	-61	170.3	177.9	82.1	-6.6	109.2	E506 G552 I572 F576 V584	E506-R574 IonicContact OE1-NE 2.74Å; E506-R574 IonicContact OE2-CZ 3.85Å; E506-R574 IonicContact OE2-NE 3.78Å; E506-R574 PolarHBondContact OE2-NE 2.97Å; E506-R574 IonicContact OE2-NH2 3.36Å; E506-R574 PolarHBondContact OE2-NH2 3.44Å; G552-R574 PolarHBondContact O-NH1 2.92Å; G552-R574 PolarHBondContact O-NH2 2.92Å; I572-R574 HydrophobicContact CG2-CG 4.34Å; R574-F576 HydrophobicContact CB-CD2 4.43Å; R574-F576 HydrophobicContact CB-CE2 3.66Å; R574-F576 HydrophobicContact CB-CZ 3.73Å; R574-F576 HydrophobicContact CG-CE2 4.45Å; R574-F576 HydrophobicContact CG-CZ 4.21Å; R574-V584 HydrophobicContact CG-CG1 4.28Å; R574-V584 HydrophobicContact CG-CG2 4.47Å
575	N	89	Confident	87.6	Confident	87 Å²	87	59.9 Å²	59.9	47%	0.465	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.6	176.4	-68.8	-28.3	0	0	0	109.2	F582 T583	N575-F582 CarbonylContact O-C 3.57Å; N575-F582 VanDerWaalsContact O-CA 3.27Å; N575-F582 WeakPolarHBondContact O-CA 3.31Å; N575-T583 WeakPolarHBondContact CB-OG1 3.44Å; N575-T583 PolarHBondContact N-O 2.93Å; N575-T583 PolarHBondContact O-N 3.32Å
576	F	84.9	Confident	87.8	Confident	79 Å²	79	60.3 Å²	60.3	35%	0.346	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.4	178	-54.5	-62.8	0	0	0	109.9	E506 W523 R574 F582	E506-F576 WeakPolarHBondContact OE1-CZ 3.22Å; W523-F576 HydrophobicContact CH2-CE1 4.04Å; W523-F576 HydrophobicContact CZ2-CE1 4.11Å; W523-F576 HydrophobicContact CZ2-CZ 4.14Å; R574-F576 HydrophobicContact CB-CD2 4.43Å; R574-F576 HydrophobicContact CB-CE2 3.66Å; R574-F576 HydrophobicContact CB-CZ 3.73Å; R574-F576 HydrophobicContact CG-CE2 4.45Å; R574-F576 HydrophobicContact CG-CZ 4.21Å; F576-F582 HydrophobicContact CD1-CB 3.53Å; F576-F582 HydrophobicContact CD1-CG 4.43Å; F576-F582 HydrophobicContact CE1-CB 4.01Å
577	T	79.3	Confident	87.9	Confident	72 Å²	72	61.7 Å²	61.7	44%	0.442	31%	0.314	S	S	.	.			trans	-101.7	158.9	172.9	65.7	0	0	0	0	110.7	T579 N580 N581	T577-T579 PolarHBondContact O-N 2.88Å; T577-T579 PolarHBondContact OG1-OG1 3.38Å; T577-N580 PolarHBondContact O-N 3Å; T577-N581 WeakPolarHBondContact CB-O 3.08Å; T577-N581 PolarHBondContact N-O 3.26Å; T577-N581 WeakPolarHBondContact OG1-CA 3.35Å; T577-N581 WeakPolarHBondContact OG1-CB 3.33Å; T577-N581 PolarHBondContact OG1-N 3.19Å; T577-N581 PolarHBondContact OG1-O 2.91Å
578	E	74.8	Confident	87.9	Confident	204 Å²	204	64.7 Å²	64.7	95%	0.953	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.1	176.1	-64.7	-178.5	177.7	0	0	112.7	N580	E578-N580 PolarHBondContact O-N 2.87Å
579	T	72.2	Confident	87.9	Confident	105 Å²	105	67.2 Å²	67.2	64%	0.644	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	19.2	-179.3	56.5	0	0	0	0	114	T577 N581	T577-T579 PolarHBondContact O-N 2.88Å; T577-T579 PolarHBondContact OG1-OG1 3.38Å; T579-N581 PolarHBondContact O-N 2.97Å
580	N	68	Low	87.8	Confident	105 Å²	105	70.1 Å²	70.1	56%	0.561	36%	0.355	S	S	*	.	S	Bend	trans	61.9	0.3	-174.2	-108	7.9	0	0	0	115.8	T577 E578	T577-N580 PolarHBondContact O-N 3Å; E578-N580 PolarHBondContact O-N 2.87Å
581	N	76.8	Confident	87.7	Confident	114 Å²	114	76.1 Å²	76.1	61%	0.61	38%	0.379	S	S	*	.			trans	-71.3	141.7	167.3	-74.8	-17.7	0	0	0	109.5	T577 T579	T577-N581 WeakPolarHBondContact CB-O 3.08Å; T577-N581 PolarHBondContact N-O 3.26Å; T577-N581 WeakPolarHBondContact OG1-CA 3.35Å; T577-N581 WeakPolarHBondContact OG1-CB 3.33Å; T577-N581 PolarHBondContact OG1-N 3.19Å; T577-N581 PolarHBondContact OG1-O 2.91Å; T579-N581 PolarHBondContact O-N 2.97Å
582	F	82.1	Confident	87.7	Confident	27 Å²	27	72.5 Å²	72.5	12%	0.118	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.1	178.3	65.8	-95.7	0	0	0	110.9	W523 R528 N530 T532 N575 F576 V584	W523-F582 AromaticContact CE3-CE2 3.98Å; W523-F582 HydrophobicContact CE3-CE2 3.98Å; W523-F582 HydrophobicContact CH2-CD2 4.09Å; W523-F582 AromaticContact CH2-CE2 3.96Å; W523-F582 HydrophobicContact CH2-CE2 3.96Å; W523-F582 HydrophobicContact CH2-CZ 4.28Å; W523-F582 AromaticContact CZ3-CD2 3.73Å; W523-F582 HydrophobicContact CZ3-CD2 3.73Å; W523-F582 HydrophobicContact CZ3-CE1 4.45Å; W523-F582 AromaticContact CZ3-CE2 3.19Å; W523-F582 HydrophobicContact CZ3-CE2 3.19Å; W523-F582 AromaticContact CZ3-CZ 3.58Å; W523-F582 HydrophobicContact CZ3-CZ 3.58Å; R528-F582 HydrophobicContact CB-CD1 4.1Å; R528-F582 HydrophobicContact CB-CE1 3.74Å; R528-F582 HydrophobicContact CG-CD1 4.46Å; N530-F582 HydrophobicContact CB-CE1 3.55Å; N530-F582 HydrophobicContact CB-CE2 4.47Å; N530-F582 HydrophobicContact CB-CZ 3.27Å; T532-F582 WeakPolarHBondContact OG1-CE2 3.29Å; N575-F582 CarbonylContact O-C 3.57Å; N575-F582 VanDerWaalsContact O-CA 3.27Å; N575-F582 WeakPolarHBondContact O-CA 3.31Å; F576-F582 HydrophobicContact CD1-CB 3.53Å; F576-F582 HydrophobicContact CD1-CG 4.43Å; F576-F582 HydrophobicContact CE1-CB 4.01Å; F582-V584 HydrophobicContact CD2-CG2 4.12Å
583	T	86	Confident	87.6	Confident	76 Å²	76	72.3 Å²	72.3	47%	0.466	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.2	167.9	54.2	0	0	0	0	108.1	N575	N575-T583 WeakPolarHBondContact CB-OG1 3.44Å; N575-T583 PolarHBondContact N-O 2.93Å; N575-T583 PolarHBondContact O-N 3.32Å
584	V	92.2	Very high	87.5	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.024	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.7	170.8	-172.4	0	0	0	0	107.2	W523 T532 L534 I572 I573 R574 F582	W523-V584 HydrophobicContact CB-CG1 4.41Å; W523-V584 HydrophobicContact CD2-CB 4.21Å; W523-V584 HydrophobicContact CD2-CG1 4.29Å; W523-V584 HydrophobicContact CD2-CG2 3.68Å; W523-V584 HydrophobicContact CE3-CB 4.28Å; W523-V584 HydrophobicContact CE3-CG2 3.66Å; W523-V584 HydrophobicContact CG-CB 4.45Å; W523-V584 HydrophobicContact CG-CG1 4.1Å; W523-V584 HydrophobicContact CG-CG2 4.36Å; W523-V584 HydrophobicContact CH2-CG2 3.94Å; W523-V584 HydrophobicContact CZ2-CG2 3.94Å; W523-V584 HydrophobicContact CZ3-CG2 3.84Å; T532-V584 WeakPolarHBondContact CG2-O 3.1Å; L534-V584 HydrophobicContact CD2-CB 4.13Å; L534-V584 HydrophobicContact CD2-CG1 3.69Å; I572-V584 HydrophobicContact CG2-CG1 3.83Å; I573-V584 WeakPolarHBondContact O-CA 3.4Å; R574-V584 HydrophobicContact CG-CG1 4.28Å; R574-V584 HydrophobicContact CG-CG2 4.47Å; F582-V584 HydrophobicContact CD2-CG2 4.12Å
585	T	93.1	Very high	87.5	Confident	63 Å²	63	70 Å²	70	39%	0.387	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	171.9	-175.3	57	0	0	0	0	109.9	I573	I573-T585 PolarHBondContact N-O 2.81Å; I573-T585 PolarHBondContact O-N 2.93Å
586	T	94.7	Very high	87.7	Confident	14 Å²	14	68.7 Å²	68.7	9%	0.086	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.6	176.8	66.4	0	0	0	0	111.6	L534 K570 R571	L534-T586 HydrophobicContact CB-CG2 3.96Å; L534-T586 HydrophobicContact CD1-CG2 4.27Å; L534-T586 HydrophobicContact CD2-CG2 4.48Å; L534-T586 HydrophobicContact CG-CG2 4.47Å; K570-T586 WeakPolarHBondContact CD-OG1 3.46Å; K570-T586 WeakPolarHBondContact CE-OG1 3.48Å; K570-T586 PolarHBondContact NZ-OG1 3.1Å; R571-T586 CarbonylContact O-C 3.58Å; R571-T586 WeakPolarHBondContact O-CA 3.45Å
587	E	94.3	Very high	88	Confident	102 Å²	102	67.2 Å²	67.2	48%	0.477	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.1	177.3	179.1	-174.7	-162.6	0	0	109.6	K570 R571 I573 I589	K570-E587 CarbonylContact C-O 3.6Å; K570-E587 WeakPolarHBondContact CA-O 3.19Å; R571-E587 HydrophobicContact CB-CB 4.49Å; R571-E587 PolarHBondContact N-O 2.96Å; R571-E587 PolarHBondContact O-N 3.08Å; I573-E587 HydrophobicContact CD1-CB 3.81Å; E587-I589 PolarHBondContact O-N 2.81Å
588	I	94.8	Very high	88.7	Confident	66 Å²	66	64 Å²	64	34%	0.338	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127	177.4	-61.6	174.2	0	0	0	109.2	F568 K570 Y591	F568-I588 HydrophobicContact CB-CG2 4.26Å; F568-I588 HydrophobicContact CD2-CG1 4.27Å; F568-I588 HydrophobicContact CE2-CG1 4.47Å; K570-I588 HydrophobicContact CD-CG1 4.38Å; K570-I588 HydrophobicContact CG-CB 4.49Å; K570-I588 HydrophobicContact CG-CG1 3.92Å; I588-Y591 HydrophobicContact CG2-CD2 4.5Å; I588-Y591 HydrophobicContact CG2-CE2 4Å
589	I	95	Very high	89.5	Confident	64 Å²	64	56.6 Å²	56.6	33%	0.328	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-41.5	177	-48.3	178.8	0	0	0	110.8	L157 Y554 L569 R571 E587	L157-I589 HydrophobicContact CD1-CD1 3.93Å; L157-I589 HydrophobicContact CD1-CG2 4.11Å; Y554-I589 HydrophobicContact CD1-CD1 3.56Å; Y554-I589 HydrophobicContact CE1-CD1 3.38Å; L569-I589 HydrophobicContact CD2-CD1 4.43Å; L569-I589 PolarHBondContact O-N 3.15Å; R571-I589 HydrophobicContact CB-CD1 3.77Å; R571-I589 HydrophobicContact CB-CG1 4.08Å; E587-I589 PolarHBondContact O-N 2.81Å
590	K	93.9	Very high	90.6	Very high	62 Å²	62	55.2 Å²	55.2	27%	0.27	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	144.1	-171.9	176	169.7	176.1	138.6	0	111.5	Y142 M152 E159 F568 L569 F592	Y142-K590 WeakPolarHBondContact OH-CE 3.32Å; Y142-K590 PolarHBondContact OH-NZ 2.85Å; Y142-K590 VanDerWaalsContact OH-NZ 3.08Å; M152-K590 HydrophobicContact CE-CD 4.06Å; E159-K590 VanDerWaalsContact OE1-CE 3.27Å; E159-K590 WeakPolarHBondContact OE1-CE 3.14Å; E159-K590 IonicContact OE1-NZ 3.58Å; E159-K590 PolarHBondContact OE1-NZ 2.69Å; E159-K590 IonicContact OE2-NZ 3.61Å; E159-K590 PolarHBondContact OE2-NZ 3.25Å; F568-K590 CarbonylContact C-O 3.54Å; F568-K590 WeakPolarHBondContact CA-O 3.29Å; F568-K590 WeakPolarHBondContact CB-O 3.46Å; L569-K590 HydrophobicContact CB-CB 4.24Å; L569-K590 PolarHBondContact N-O 3.18Å; L569-K590 PolarHBondContact O-N 3.37Å; K590-F592 HydrophobicContact CD-CE1 4.26Å
591	Y	93.7	Very high	91.8	Very high	126 Å²	126	51.2 Å²	51.2	49%	0.494	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129	167	-66.2	-92.2	0	0	0	109.6	F568 I588 T594	F568-Y591 HydrophobicContact CB-CD1 4.26Å; F568-Y591 HydrophobicContact CD1-CD1 4.39Å; F568-Y591 HydrophobicContact CD1-CE1 4.25Å; I588-Y591 HydrophobicContact CG2-CD2 4.5Å; I588-Y591 HydrophobicContact CG2-CE2 4Å; Y591-T594 HydrophobicContact CD1-CG2 4.46Å; Y591-T594 HydrophobicContact CG-CG2 4.37Å
592	F	94.3	Very high	92.6	Very high	30 Å²	30	46.9 Å²	46.9	13%	0.132	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-44	168.6	-66	-60.6	0	0	0	110.8	F131 F140 Y142 M152 V556 T567 L569 K590	F131-F592 HydrophobicContact CD2-CB 3.84Å; F131-F592 HydrophobicContact CD2-CG 4.46Å; F131-F592 HydrophobicContact CE2-CB 3.49Å; F131-F592 VanDerWaalsContact CE2-CB 3.49Å; F131-F592 HydrophobicContact CE2-CD1 4.25Å; F131-F592 AromaticContact CE2-CD2 3.84Å; F131-F592 HydrophobicContact CE2-CD2 3.84Å; F131-F592 AromaticContact CE2-CG 3.62Å; F131-F592 HydrophobicContact CE2-CG 3.62Å; F131-F592 HydrophobicContact CZ-CB 4.38Å; F131-F592 AromaticContact CZ-CD2 3.97Å; F131-F592 HydrophobicContact CZ-CD2 3.97Å; F131-F592 HydrophobicContact CZ-CE2 4.49Å; F131-F592 HydrophobicContact CZ-CG 4.23Å; F140-F592 HydrophobicContact CD1-CZ 4.13Å; F140-F592 HydrophobicContact CE1-CE1 4.24Å; F140-F592 HydrophobicContact CE1-CE2 4.03Å; F140-F592 AromaticContact CE1-CZ 3.68Å; F140-F592 HydrophobicContact CE1-CZ 3.68Å; Y142-F592 HydrophobicContact CD1-CD1 4.37Å; Y142-F592 AromaticContact CD1-CE1 3.86Å; Y142-F592 HydrophobicContact CD1-CE1 3.86Å; Y142-F592 AromaticContact CD2-CD1 3.89Å; Y142-F592 HydrophobicContact CD2-CD1 3.89Å; Y142-F592 HydrophobicContact CD2-CE1 4.21Å; Y142-F592 HydrophobicContact CE1-CD1 4.17Å; Y142-F592 AromaticContact CE1-CE1 3.59Å; Y142-F592 HydrophobicContact CE1-CE1 3.59Å; Y142-F592 AromaticContact CE2-CD1 3.66Å; Y142-F592 HydrophobicContact CE2-CD1 3.66Å; Y142-F592 AromaticContact CE2-CE1 3.97Å; Y142-F592 HydrophobicContact CE2-CE1 3.97Å; Y142-F592 HydrophobicContact CG-CD1 4.23Å; Y142-F592 HydrophobicContact CG-CE1 4.15Å; Y142-F592 AromaticContact CZ-CD1 3.8Å; Y142-F592 AromaticContact CZ-CE1 3.64Å; M152-F592 HydrophobicContact CE-CE1 3.86Å; M152-F592 HydrophobicContact CE-CZ 3.94Å; V556-F592 HydrophobicContact CG1-CD2 4.44Å; V556-F592 HydrophobicContact CG1-CE2 4.28Å; V556-F592 HydrophobicContact CG2-CE2 4.29Å; T567-F592 HydrophobicContact CG2-CB 4.46Å; T567-F592 HydrophobicContact CG2-CD2 4.37Å; T567-F592 PolarHBondContact O-N 2.92Å; L569-F592 HydrophobicContact CB-CE2 3.7Å; L569-F592 HydrophobicContact CB-CZ 3.94Å; L569-F592 HydrophobicContact CD1-CE2 4.44Å; K590-F592 HydrophobicContact CD-CE1 4.26Å
593	V	93.8	Very high	93.1	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.4	178.8	165.8	0	0	0	0	109.6	E129 F131 T567 N595	E129-V593 HydrophobicContact CB-CG1 3.84Å; E129-V593 HydrophobicContact CB-CG2 4.14Å; F131-V593 HydrophobicContact CB-CG2 3.84Å; F131-V593 HydrophobicContact CD2-CG2 4.2Å; F131-V593 HydrophobicContact CG-CG2 4.4Å; T567-V593 PolarHBondContact N-O 3.49Å; T567-V593 VanDerWaalsContact N-O 3.09Å; T567-V593 PolarHBondContact O-N 2.77Å; V593-N595 HydrophobicContact CG1-CB 4.42Å; V593-N595 VanDerWaalsContact CG1-ND2 3.25Å; V593-N595 WeakPolarHBondContact CG1-ND2 3.37Å
594	T	92.2	Very high	93.5	Very high	58 Å²	58	49.7 Å²	49.7	36%	0.356	27%	0.274	S	S	.	.			trans	-108.6	-25.7	179.7	64.1	0	0	0	0	112.8	E129 Y591 S596	E129-T594 PolarHBondContact OE2-N 3.48Å; E129-T594 VanDerWaalsContact OE2-N 3.08Å; Y591-T594 HydrophobicContact CD1-CG2 4.46Å; Y591-T594 HydrophobicContact CG-CG2 4.37Å; T594-S596 PolarHBondContact O-N 3.17Å
595	N	92.7	Very high	93.7	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.027	28%	0.279	C	S	.	.			trans	52.5	36.2	-177.1	-76.4	-40.2	0	0	0	113.3	E129 P565 V593 A597 F598 D599	E129-N595 PolarHBondContact N-OD1 2.92Å; E129-N595 PolarHBondContact OE2-N 3.4Å; P565-N595 WeakPolarHBondContact O-CB 3.43Å; P565-N595 PolarHBondContact O-ND2 2.99Å; V593-N595 HydrophobicContact CG1-CB 4.42Å; V593-N595 VanDerWaalsContact CG1-ND2 3.25Å; V593-N595 WeakPolarHBondContact CG1-ND2 3.37Å; N595-A597 VanDerWaalsContact C-N 3.34Å; N595-A597 PolarHBondContact O-N 3Å; N595-F598 HydrophobicContact CB-CB 4.19Å; N595-F598 WeakPolarHBondContact O-CB 3.25Å; N595-F598 PolarHBondContact O-N 2.85Å; N595-F598 VanDerWaalsContact O-N 3.14Å; N595-D599 WeakPolarHBondContact O-CB 3.49Å; N595-D599 PolarHBondContact O-N 3.01Å
596	S	92.6	Very high	93.8	Very high	61 Å²	61	48.3 Å²	48.3	43%	0.427	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-38	-174.7	53.3	0	0	0	0	114.3	T594 S600	T594-S596 PolarHBondContact O-N 3.17Å; S596-S600 WeakPolarHBondContact O-CB 3.34Å; S596-S600 PolarHBondContact O-N 3.11Å; S596-S600 PolarHBondContact O-OG 3.35Å
597	A	92.3	Very high	93.8	Very high	48 Å²	48	49.2 Å²	49.2	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-43.4	175.6	0	0	0	0	0	111.7	N595 S600 F601	N595-A597 VanDerWaalsContact C-N 3.34Å; N595-A597 PolarHBondContact O-N 3Å; A597-S600 PolarHBondContact O-N 2.84Å; A597-F601 PolarHBondContact O-N 3.48Å
598	F	92.9	Very high	93.9	Very high	5 Å²	5	45 Å²	45	2%	0.022	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-40.4	175.8	-176.5	-92.9	0	0	0	112.1	V124 L127 L128 T564 N595 F601 V602 F664 I666	V124-F598 HydrophobicContact CG2-CD2 4.1Å; V124-F598 HydrophobicContact CG2-CE2 3.72Å; L127-F598 HydrophobicContact CB-CB 4.06Å; L127-F598 HydrophobicContact CB-CD2 4.14Å; L128-F598 HydrophobicContact CD1-CE2 4.24Å; L128-F598 HydrophobicContact CD2-CB 4.29Å; L128-F598 HydrophobicContact CD2-CD1 3.9Å; L128-F598 HydrophobicContact CD2-CD2 3.62Å; L128-F598 HydrophobicContact CD2-CE1 4.03Å; L128-F598 HydrophobicContact CD2-CE2 3.73Å; L128-F598 HydrophobicContact CD2-CG 3.69Å; L128-F598 HydrophobicContact CD2-CZ 3.92Å; L128-F598 HydrophobicContact CG-CD2 3.77Å; L128-F598 HydrophobicContact CG-CE2 3.82Å; L128-F598 HydrophobicContact CG-CG 4.3Å; L128-F598 HydrophobicContact CG-CZ 4.42Å; T564-F598 HydrophobicContact CG2-CD1 3.98Å; T564-F598 HydrophobicContact CG2-CE1 4.25Å; N595-F598 HydrophobicContact CB-CB 4.19Å; N595-F598 WeakPolarHBondContact O-CB 3.25Å; N595-F598 PolarHBondContact O-N 2.85Å; N595-F598 VanDerWaalsContact O-N 3.14Å; F598-F601 WeakPolarHBondContact O-CB 3.45Å; F598-F601 PolarHBondContact O-N 3.44Å; F598-V602 HydrophobicContact CD1-CG2 3.97Å; F598-V602 HydrophobicContact CE1-CG2 3.7Å; F598-V602 HydrophobicContact CZ-CG2 4.16Å; F598-V602 WeakPolarHBondContact O-CG2 3.37Å; F598-V602 PolarHBondContact O-N 2.83Å; F598-F664 HydrophobicContact CE1-CD1 4.25Å; F598-F664 AromaticContact CE1-CE1 3.54Å; F598-F664 HydrophobicContact CE1-CE1 3.54Å; F598-F664 HydrophobicContact CE1-CZ 4.29Å; F598-F664 HydrophobicContact CZ-CD1 4.41Å; F598-F664 AromaticContact CZ-CE1 3.64Å; F598-F664 HydrophobicContact CZ-CE1 3.64Å; F598-I666 HydrophobicContact CE1-CD1 4.46Å; F598-I666 HydrophobicContact CE2-CD1 4.04Å; F598-I666 HydrophobicContact CZ-CD1 3.65Å; F598-I666 HydrophobicContact CZ-CG1 4.37Å
599	D	92.8	Very high	93.9	Very high	48 Å²	48	47.2 Å²	47.2	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-44.7	174	-177.3	48.6	0	0	0	111.7	T564 N595 F601 V602 N603	T564-D599 HydrophobicContact CG2-CB 3.81Å; T564-D599 WeakPolarHBondContact CG2-OD1 3.33Å; N595-D599 WeakPolarHBondContact O-CB 3.49Å; N595-D599 PolarHBondContact O-N 3.01Å; D599-F601 VanDerWaalsContact C-N 3.28Å; D599-F601 PolarHBondContact O-N 3.05Å; D599-V602 PolarHBondContact O-N 3.49Å; D599-N603 WeakPolarHBondContact O-CB 3.41Å; D599-N603 VanDerWaalsContact O-CG 3.25Å; D599-N603 PolarHBondContact O-N 3.44Å; D599-N603 PolarHBondContact O-ND2 2.82Å; D599-N603 PolarHBondContact OD1-ND2 3.49Å
600	S	94.6	Very high	93.9	Very high	76 Å²	76	47.2 Å²	47.2	53%	0.531	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-38.6	173.9	-58	0	0	0	0	112.1	S596 A597 S604	S596-S600 WeakPolarHBondContact O-CB 3.34Å; S596-S600 PolarHBondContact O-N 3.11Å; S596-S600 PolarHBondContact O-OG 3.35Å; A597-S600 PolarHBondContact O-N 2.84Å; S600-S604 VanDerWaalsContact O-CB 3.31Å; S600-S604 WeakPolarHBondContact O-CB 3.42Å; S600-S604 PolarHBondContact O-N 2.75Å; S600-S604 PolarHBondContact O-OG 2.87Å
601	F	94.1	Very high	94	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.092	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-52.6	174.6	175.7	-85.8	0	0	0	111.3	F116 D120 V124 L127 A597 F598 D599 N603 S604 H605	F116-F601 HydrophobicContact CD2-CE1 4.18Å; F116-F601 AromaticContact CD2-CZ 3.77Å; F116-F601 HydrophobicContact CD2-CZ 3.77Å; F116-F601 AromaticContact CE2-CE1 3.94Å; F116-F601 HydrophobicContact CE2-CE1 3.94Å; F116-F601 AromaticContact CE2-CZ 3.69Å; F116-F601 HydrophobicContact CE2-CZ 3.69Å; D120-F601 HydrophobicContact CB-CE2 4.02Å; D120-F601 HydrophobicContact CB-CZ 3.74Å; V124-F601 HydrophobicContact CB-CE1 4.33Å; V124-F601 HydrophobicContact CG2-CD1 3.65Å; V124-F601 HydrophobicContact CG2-CE1 3.48Å; V124-F601 VanDerWaalsContact CG2-CE1 3.48Å; V124-F601 HydrophobicContact CG2-CG 4.41Å; V124-F601 HydrophobicContact CG2-CZ 4.1Å; L127-F601 HydrophobicContact CD1-CB 3.69Å; L127-F601 HydrophobicContact CD1-CD2 3.87Å; L127-F601 HydrophobicContact CD1-CG 3.75Å; A597-F601 PolarHBondContact O-N 3.48Å; F598-F601 WeakPolarHBondContact O-CB 3.45Å; F598-F601 PolarHBondContact O-N 3.44Å; D599-F601 VanDerWaalsContact C-N 3.28Å; D599-F601 PolarHBondContact O-N 3.05Å; F601-N603 VanDerWaalsContact C-N 3.3Å; F601-N603 PolarHBondContact O-N 2.98Å; F601-S604 PolarHBondContact O-N 3.1Å; F601-S604 VanDerWaalsContact O-N 3.13Å; F601-S604 PolarHBondContact O-OG 2.82Å; F601-H605 AromaticContact CD2-CE1 3.37Å; F601-H605 WeakPolarHBondContact CD2-CE1 3.5Å; F601-H605 AromaticContact CD2-ND1 3.62Å; F601-H605 AromaticContact CE2-CD2 3.91Å; F601-H605 AromaticContact CE2-CE1 3.27Å; F601-H605 WeakPolarHBondContact CE2-CE1 3.23Å; F601-H605 AromaticContact CE2-CG 3.97Å; F601-H605 AromaticContact CE2-ND1 3.58Å; F601-H605 AromaticContact CE2-NE2 3.49Å; F601-H605 WeakPolarHBondContact CE2-NE2 3.34Å; F601-H605 AromaticContact CG-ND1 3.96Å; F601-H605 AromaticContact CZ-CD2 3.96Å; F601-H605 AromaticContact CZ-CE1 3.96Å; F601-H605 AromaticContact CZ-CG 3.87Å; F601-H605 AromaticContact CZ-ND1 3.87Å; F601-H605 PolarHBondContact O-N 2.84Å; F601-H605 PolarHBondContact O-ND1 3.12Å
602	V	92.9	Very high	94.2	Very high	22 Å²	22	44.8 Å²	44.8	13%	0.133	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-42.6	180	167.5	0	0	0	0	111.6	T564 F598 D599 S604 L607 F664 I666	T564-V602 HydrophobicContact CG2-CB 4.22Å; T564-V602 HydrophobicContact CG2-CG1 4.34Å; T564-V602 HydrophobicContact CG2-CG2 4.24Å; F598-V602 HydrophobicContact CD1-CG2 3.97Å; F598-V602 HydrophobicContact CE1-CG2 3.7Å; F598-V602 HydrophobicContact CZ-CG2 4.16Å; F598-V602 WeakPolarHBondContact O-CG2 3.37Å; F598-V602 PolarHBondContact O-N 2.83Å; D599-V602 PolarHBondContact O-N 3.49Å; V602-S604 VanDerWaalsContact C-N 3.31Å; V602-S604 PolarHBondContact O-N 3.31Å; V602-L607 HydrophobicContact CB-CD1 4.28Å; V602-L607 HydrophobicContact CG1-CD1 3.95Å; V602-L607 HydrophobicContact CG2-CD1 4.18Å; V602-F664 HydrophobicContact CG1-CE2 4.36Å; V602-F664 HydrophobicContact CG1-CZ 4.08Å; V602-F664 HydrophobicContact CG2-CE1 4.3Å; V602-F664 HydrophobicContact CG2-CZ 3.78Å; V602-I666 HydrophobicContact CG2-CD1 3.87Å
603	N	92.1	Very high	94.3	Very high	118 Å²	118	43.9 Å²	43.9	63%	0.631	24%	0.243	S	C	*	.	H	α-helix	trans	-75.6	-16.7	-178.4	-67.3	-39.2	0	0	0	113.9	D599 F601	D599-N603 WeakPolarHBondContact O-CB 3.41Å; D599-N603 VanDerWaalsContact O-CG 3.25Å; D599-N603 PolarHBondContact O-N 3.44Å; D599-N603 PolarHBondContact O-ND2 2.82Å; D599-N603 PolarHBondContact OD1-ND2 3.49Å; F601-N603 VanDerWaalsContact C-N 3.3Å; F601-N603 PolarHBondContact O-N 2.98Å
604	S	94.5	Very high	94.5	Very high	45 Å²	45	49 Å²	49	32%	0.315	27%	0.265	S	S	.	.	H	α-helix	trans	-99.9	-9.3	-179.2	55.5	0	0	0	0	114.1	G113 L114 S600 F601 V602	G113-S604 CarbonylContact C-O 3.57Å; G113-S604 WeakPolarHBondContact CA-O 3.23Å; L114-S604 WeakPolarHBondContact CB-O 3.24Å; L114-S604 PolarHBondContact N-O 3.33Å; S600-S604 VanDerWaalsContact O-CB 3.31Å; S600-S604 WeakPolarHBondContact O-CB 3.42Å; S600-S604 PolarHBondContact O-N 2.75Å; S600-S604 PolarHBondContact O-OG 2.87Å; F601-S604 PolarHBondContact O-N 3.1Å; F601-S604 VanDerWaalsContact O-N 3.13Å; F601-S604 PolarHBondContact O-OG 2.82Å; V602-S604 VanDerWaalsContact C-N 3.31Å; V602-S604 PolarHBondContact O-N 3.31Å
605	H	95.9	Very high	94.7	Very high	26 Å²	26	46.5 Å²	46.5	12%	0.12	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.9	-176	-68.3	73.6	0	0	0	112.9	L114 F601 L607	L114-H605 CarbonylContact O-C 3.6Å; L114-H605 VanDerWaalsContact O-CA 3.29Å; L114-H605 WeakPolarHBondContact O-CA 3.25Å; F601-H605 AromaticContact CD2-CE1 3.37Å; F601-H605 WeakPolarHBondContact CD2-CE1 3.5Å; F601-H605 AromaticContact CD2-ND1 3.62Å; F601-H605 AromaticContact CE2-CD2 3.91Å; F601-H605 AromaticContact CE2-CE1 3.27Å; F601-H605 WeakPolarHBondContact CE2-CE1 3.23Å; F601-H605 AromaticContact CE2-CG 3.97Å; F601-H605 AromaticContact CE2-ND1 3.58Å; F601-H605 AromaticContact CE2-NE2 3.49Å; F601-H605 WeakPolarHBondContact CE2-NE2 3.34Å; F601-H605 AromaticContact CG-ND1 3.96Å; F601-H605 AromaticContact CZ-CD2 3.96Å; F601-H605 AromaticContact CZ-CE1 3.96Å; F601-H605 AromaticContact CZ-CG 3.87Å; F601-H605 AromaticContact CZ-ND1 3.87Å; F601-H605 PolarHBondContact O-N 2.84Å; F601-H605 PolarHBondContact O-ND1 3.12Å; H605-L607 VanDerWaalsContact C-N 3.31Å; H605-L607 HydrophobicContact CB-CG 4.48Å; H605-L607 PolarHBondContact O-N 2.71Å
606	A	95.2	Very high	94.9	Very high	12 Å²	12	51.9 Å²	51.9	10%	0.099	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	80.5	175.4	0	0	0	0	0	110.9	Y112 L114 P635 A674	Y112-A606 WeakPolarHBondContact O-CA 3.41Å; Y112-A606 VanDerWaalsContact O-CB 3.27Å; Y112-A606 WeakPolarHBondContact O-CB 3.28Å; Y112-A606 PolarHBondContact O-N 3.37Å; L114-A606 PolarHBondContact O-N 2.05Å; A606-P635 HydrophobicContact CB-CB 4.32Å; A606-P635 HydrophobicContact CB-CG 4.05Å; A606-A674 WeakPolarHBondContact O-CB 3.5Å
607	L	95.2	Very high	95.2	Very high	32 Å²	32	49 Å²	49	17%	0.168	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-85.7	156.5	175	-64.7	-176.4	0	0	0	111.5	F116 V602 H605 I666 T670	F116-L607 HydrophobicContact CB-CD2 4.25Å; F116-L607 HydrophobicContact CD1-CD2 4.38Å; F116-L607 HydrophobicContact CD2-CD2 3.91Å; F116-L607 HydrophobicContact CE2-CD2 4.34Å; F116-L607 HydrophobicContact CG-CD2 3.94Å; V602-L607 HydrophobicContact CB-CD1 4.28Å; V602-L607 HydrophobicContact CG1-CD1 3.95Å; V602-L607 HydrophobicContact CG2-CD1 4.18Å; H605-L607 VanDerWaalsContact C-N 3.31Å; H605-L607 HydrophobicContact CB-CG 4.48Å; H605-L607 PolarHBondContact O-N 2.71Å; L607-I666 HydrophobicContact CD1-CD1 4.15Å; L607-T670 HydrophobicContact CD2-CG2 4.01Å
608	P	96.2	Very high	95.3	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.091	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-67.9	147.6	-179.3	29.2	-34.3	0	0	0	112	I610 Y632 L633 T670	P608-I610 PolarHBondContact O-N 2.78Å; P608-Y632 HydrophobicContact CG-CD1 3.86Å; P608-L633 CarbonylContact C-O 3.35Å; P608-L633 WeakPolarHBondContact CA-O 3.48Å; P608-L633 WeakPolarHBondContact CB-O 3.31Å; P608-T670 VanDerWaalsContact CD-CG2 3.46Å; P608-T670 HydrophobicContact CG-CG2 3.78Å
609	R	94.7	Very high	95.3	Very high	113 Å²	113	54.4 Å²	54.4	43%	0.426	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.7	171.2	-174.7	173.4	77.4	-142.9	1.3	109.3	E611 L633	R609-E611 IonicContact CZ-OE1 3.16Å; R609-E611 IonicContact NE-OE1 2.86Å; R609-E611 PolarHBondContact NE-OE1 3.47Å; R609-E611 IonicContact NH2-OE1 2.78Å; R609-E611 PolarHBondContact NH2-OE1 3.37Å; R609-L633 HydrophobicContact CB-CB 4.38Å; R609-L633 PolarHBondContact N-O 2.7Å; R609-L633 PolarHBondContact O-N 2.85Å
610	I	95.5	Very high	95.4	Very high	63 Å²	63	55.6 Å²	55.6	32%	0.323	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.9	176.2	-53.9	-55.6	0	0	0	109.9	P608 Y612 K630 L631 Y632	P608-I610 PolarHBondContact O-N 2.78Å; I610-Y612 HydrophobicContact CG2-CD2 4.4Å; I610-Y612 HydrophobicContact CG2-CE1 4.46Å; I610-Y612 HydrophobicContact CG2-CE2 3.69Å; I610-K630 HydrophobicContact CG2-CD 4.32Å; I610-K630 HydrophobicContact CG2-CG 3.92Å; I610-L631 WeakPolarHBondContact CA-O 3.26Å; I610-Y632 HydrophobicContact CD1-CD1 3.28Å; I610-Y632 HydrophobicContact CD1-CD2 4.25Å; I610-Y632 HydrophobicContact CD1-CE1 3.46Å; I610-Y632 VanDerWaalsContact CD1-CE1 3.46Å; I610-Y632 HydrophobicContact CD1-CE2 4.38Å; I610-Y632 HydrophobicContact CD1-CG 3.69Å
611	E	96.2	Very high	95.4	Very high	51 Å²	51	55.5 Å²	55.5	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.3	172.8	-73.3	-174.4	-168.7	0	0	111.4	R609 L631 L633	R609-E611 IonicContact CZ-OE1 3.16Å; R609-E611 IonicContact NE-OE1 2.86Å; R609-E611 PolarHBondContact NE-OE1 3.47Å; R609-E611 IonicContact NH2-OE1 2.78Å; R609-E611 PolarHBondContact NH2-OE1 3.37Å; E611-L631 HydrophobicContact CB-CB 4.38Å; E611-L631 PolarHBondContact N-O 3.43Å; E611-L631 PolarHBondContact O-N 2.78Å; E611-L633 HydrophobicContact CB-CD1 4.5Å; E611-L633 HydrophobicContact CG-CD1 3.93Å; E611-L633 VanDerWaalsContact OE1-CD1 3.27Å; E611-L633 WeakPolarHBondContact OE1-CD1 3.4Å
612	Y	96.7	Very high	95.3	Very high	86 Å²	86	66.6 Å²	66.6	34%	0.337	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136	173.7	-61.5	-83.3	0	0	0	109.8	K517 I610 A629 K630 V660 T661 S662	K517-Y612 HydrophobicContact CD-CD1 3.55Å; K517-Y612 HydrophobicContact CD-CE1 4.17Å; K517-Y612 HydrophobicContact CD-CG 4.2Å; I610-Y612 HydrophobicContact CG2-CD2 4.4Å; I610-Y612 HydrophobicContact CG2-CE1 4.46Å; I610-Y612 HydrophobicContact CG2-CE2 3.69Å; Y612-A629 WeakPolarHBondContact CA-O 3.19Å; Y612-K630 HydrophobicContact CD1-CB 4.09Å; Y612-K630 HydrophobicContact CD1-CG 4.16Å; Y612-K630 HydrophobicContact CE1-CB 4Å; Y612-K630 HydrophobicContact CE1-CD 3.68Å; Y612-K630 HydrophobicContact CE1-CG 3.69Å; Y612-K630 WeakPolarHBondContact OH-CE 3.28Å; Y612-V660 HydrophobicContact CD1-CG1 4.35Å; Y612-T661 WeakPolarHBondContact CE1-O 3.2Å; Y612-T661 PolarHBondContact OH-O 3.4Å; Y612-T661 VanDerWaalsContact OH-O 3.07Å; Y612-S662 WeakPolarHBondContact OH-CA 3.47Å
613	T	97.1	Very high	95.3	Very high	12 Å²	12	70.8 Å²	70.8	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.8	175.3	-175.5	0	0	0	0	111.5	L615 A629 R721	T613-L615 HydrophobicContact CG2-CD2 3.99Å; T613-L615 HydrophobicContact CG2-CG 4.41Å; T613-A629 HydrophobicContact CG2-CB 3.97Å; T613-A629 PolarHBondContact N-O 3.2Å; T613-A629 PolarHBondContact O-N 3.44Å; T613-R721 PolarHBondContact OG1-NH1 2.77Å; T613-R721 PolarHBondContact OG1-NH2 2.67Å; T613-R721 VanDerWaalsContact OG1-NH2 3.15Å
614	K	97.2	Very high	95.5	Very high	114 Å²	114	68.8 Å²	68.8	50%	0.496	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.5	164.5	-71.3	173.7	172.8	172	0	109.4	V627 E628 R721	K614-V627 WeakPolarHBondContact CA-O 3.45Å; K614-E628 WeakPolarHBondContact CE-OE1 3.41Å; K614-E628 WeakPolarHBondContact CG-OE2 3.36Å; K614-E628 IonicContact NZ-OE1 2.68Å; K614-R721 PolarHBondContact O-NH1 3.4Å; K614-R721 VanDerWaalsContact O-NH1 3.14Å
615	L	97.6	Very high	95.6	Very high	4 Å²	4	68 Å²	68	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.5	173.3	-57	175.6	0	0	0	109	T613 L617 D626 V627 A629 L718	T613-L615 HydrophobicContact CG2-CD2 3.99Å; T613-L615 HydrophobicContact CG2-CG 4.41Å; L615-L617 HydrophobicContact CB-CD2 3.99Å; L615-L617 PolarHBondContact O-N 2.94Å; L615-D626 WeakPolarHBondContact O-CA 3.26Å; L615-V627 HydrophobicContact CB-CG2 3.76Å; L615-V627 HydrophobicContact CD1-CG2 4.42Å; L615-V627 PolarHBondContact N-O 2.83Å; L615-V627 PolarHBondContact O-N 3.09Å; L615-A629 HydrophobicContact CD1-CB 3.86Å; L615-A629 HydrophobicContact CG-CB 4.05Å; L615-L718 HydrophobicContact CD1-CD1 4.43Å; L615-L718 HydrophobicContact CD1-CD2 3.9Å; L615-L718 HydrophobicContact CD1-CG 3.86Å; L615-L718 HydrophobicContact CD2-CD2 3.97Å
616	R	97.4	Very high	95.6	Very high	118 Å²	118	68.9 Å²	68.9	45%	0.445	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	101.4	174	179.1	73.3	79.3	-173.1	-3	108.7	N619 Q624 D626	R616-N619 HydrophobicContact CG-CB 3.93Å; R616-Q624 HydrophobicContact CG-CG 4.37Å; R616-D626 WeakPolarHBondContact CD-OD1 3.31Å; R616-D626 IonicContact CZ-OD1 3.53Å; R616-D626 IonicContact CZ-OD2 2.68Å; R616-D626 IonicContact NE-OD1 3.4Å; R616-D626 PolarHBondContact NE-OD1 3.42Å; R616-D626 IonicContact NE-OD2 2.69Å; R616-D626 IonicContact NH1-OD1 3.93Å; R616-D626 PolarHBondContact NH1-OD1 2.88Å; R616-D626 IonicContact NH1-OD2 3.74Å; R616-D626 PolarHBondContact NH1-OD2 3.24Å; R616-D626 IonicContact NH2-OD1 2.78Å; R616-D626 IonicContact NH2-OD2 3.27Å; R616-D626 PolarHBondContact NH2-OD2 3.13Å
617	L	97.6	Very high	95.7	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	147.1	-179.6	-49.4	-174	0	0	0	110.8	L615 N619 Q624 I625 V627 D710 D713 S714 A717	L615-L617 HydrophobicContact CB-CD2 3.99Å; L615-L617 PolarHBondContact O-N 2.94Å; L617-N619 PolarHBondContact O-N 2.81Å; L617-N619 VanDerWaalsContact O-N 3.13Å; L617-Q624 WeakPolarHBondContact O-CA 3.25Å; L617-I625 HydrophobicContact CB-CG2 3.92Å; L617-I625 HydrophobicContact CD1-CG2 4.23Å; L617-I625 HydrophobicContact CG-CG2 4.33Å; L617-I625 PolarHBondContact N-O 2.91Å; L617-I625 PolarHBondContact O-N 2.88Å; L617-V627 HydrophobicContact CD1-CB 4.41Å; L617-V627 HydrophobicContact CD1-CG1 3.66Å; L617-V627 HydrophobicContact CD1-CG2 3.81Å; L617-V627 HydrophobicContact CD2-CG2 4.13Å; L617-V627 HydrophobicContact CG-CG1 4.25Å; L617-V627 HydrophobicContact CG-CG2 3.91Å; L617-D710 HydrophobicContact CD1-CB 4.19Å; L617-D710 WeakPolarHBondContact CD1-O 3.35Å; L617-D713 HydrophobicContact CB-CB 4.27Å; L617-D713 HydrophobicContact CD1-CB 4.07Å; L617-D713 HydrophobicContact CD2-CB 4.25Å; L617-D713 HydrophobicContact CG-CB 4.43Å; L617-S714 WeakPolarHBondContact CD1-OG 3.42Å; L617-A717 HydrophobicContact CD2-CB 4.04Å
618	R	95.7	Very high	95.9	Very high	49 Å²	49	67.1 Å²	67.1	19%	0.185	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.9	175.7	-57.7	172.8	-73	-105.8	2.3	112.8	T621 N623 I625 D710 D713	R618-T621 WeakPolarHBondContact CB-OG1 3.43Å; R618-T621 WeakPolarHBondContact O-CB 3.29Å; R618-T621 WeakPolarHBondContact O-CG2 3.4Å; R618-T621 PolarHBondContact O-N 2.87Å; R618-T621 VanDerWaalsContact O-N 3.14Å; R618-T621 PolarHBondContact O-OG1 3.12Å; R618-N623 PolarHBondContact NE-O 2.85Å; R618-I625 VanDerWaalsContact NH2-CG2 3.28Å; R618-D710 IonicContact CZ-OD1 3.69Å; R618-D710 IonicContact NH1-OD1 2.72Å; R618-D710 PolarHBondContact NH1-OD1 2.59Å; R618-D710 IonicContact NH2-OD1 2.81Å; R618-D710 PolarHBondContact NH2-OD1 2.54Å; R618-D713 WeakPolarHBondContact CD-OD2 2.85Å; R618-D713 WeakPolarHBondContact CG-OD2 3.41Å; R618-D713 IonicContact CZ-OD2 3.58Å; R618-D713 IonicContact NE-OD2 2.69Å; R618-D713 IonicContact NH1-OD2 3.01Å; R618-D713 PolarHBondContact NH1-OD2 2.79Å
619	N	92.6	Very high	96	Very high	117 Å²	117	66.4 Å²	66.4	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	134.5	-175.9	-168.1	29.3	0	0	0	112.3	R616 L617 T621 Q624	R616-N619 HydrophobicContact CG-CB 3.93Å; L617-N619 PolarHBondContact O-N 2.81Å; L617-N619 VanDerWaalsContact O-N 3.13Å; N619-T621 VanDerWaalsContact C-N 3.27Å; N619-T621 PolarHBondContact O-N 2.89Å; N619-Q624 PolarHBondContact OD1-OE1 3.1Å; N619-Q624 VanDerWaalsContact OD1-OE1 3.07Å
620	G	93.3	Very high	96.1	Very high	73 Å²	73	61.2 Å²	61.2	75%	0.753	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	1.5	-178.4	0	0	0	0	0	115.3
621	T	95.5	Very high	96.3	Very high	73 Å²	73	58.3 Å²	58.3	45%	0.448	28%	0.284	S	S	.	.	S	Bend	trans	-101.9	166.1	175	77.1	0	0	0	0	111.5	R618 N619 N623 Q624	R618-T621 WeakPolarHBondContact CB-OG1 3.43Å; R618-T621 WeakPolarHBondContact O-CB 3.29Å; R618-T621 WeakPolarHBondContact O-CG2 3.4Å; R618-T621 PolarHBondContact O-N 2.87Å; R618-T621 VanDerWaalsContact O-N 3.14Å; R618-T621 PolarHBondContact O-OG1 3.12Å; N619-T621 VanDerWaalsContact C-N 3.27Å; N619-T621 PolarHBondContact O-N 2.89Å; T621-N623 PolarHBondContact O-N 3.46Å; T621-N623 PolarHBondContact OG1-N 2.74Å; T621-Q624 WeakPolarHBondContact O-CB 3.27Å; T621-Q624 PolarHBondContact O-N 2.68Å
622	R	93	Very high	96.4	Very high	255 Å²	255	56 Å²	56	96%	0.962	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.2	172.6	-64.9	-176.2	-178.2	-175.7	0.3	113.5
623	N	92.6	Very high	96.4	Very high	109 Å²	109	51.9 Å²	51.9	58%	0.583	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	20.2	-178.5	-62.9	-20.7	0	0	0	112.5	R618 T621	R618-N623 PolarHBondContact NE-O 2.85Å; T621-N623 PolarHBondContact O-N 3.46Å; T621-N623 PolarHBondContact OG1-N 2.74Å
624	Q	96.5	Very high	96.4	Very high	76 Å²	76	51.4 Å²	51.4	36%	0.355	25%	0.254	S	S	.	.			trans	-60.6	134.4	177.4	177.5	175.4	-51.7	0	0	111	R616 L617 N619 T621	R616-Q624 HydrophobicContact CG-CG 4.37Å; L617-Q624 WeakPolarHBondContact O-CA 3.25Å; N619-Q624 PolarHBondContact OD1-OE1 3.1Å; N619-Q624 VanDerWaalsContact OD1-OE1 3.07Å; T621-Q624 WeakPolarHBondContact O-CB 3.27Å; T621-Q624 PolarHBondContact O-N 2.68Å
625	I	96.1	Very high	96.3	Very high	28 Å²	28	47 Å²	47	14%	0.144	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150.3	179.5	-166.2	165.6	0	0	0	111.3	L617 R618 V627 R686 Y695	L617-I625 HydrophobicContact CB-CG2 3.92Å; L617-I625 HydrophobicContact CD1-CG2 4.23Å; L617-I625 HydrophobicContact CG-CG2 4.33Å; L617-I625 PolarHBondContact N-O 2.91Å; L617-I625 PolarHBondContact O-N 2.88Å; R618-I625 VanDerWaalsContact NH2-CG2 3.28Å; I625-V627 HydrophobicContact CG2-CG1 4.41Å; I625-R686 VanDerWaalsContact CD1-CD 3.49Å; I625-R686 HydrophobicContact CD1-CG 3.44Å; I625-R686 VanDerWaalsContact CD1-CG 3.44Å; I625-Y695 HydrophobicContact CD1-CD2 4.41Å; I625-Y695 HydrophobicContact CD1-CE2 3.69Å; I625-Y695 HydrophobicContact CG1-CE2 4.24Å
626	D	96.4	Very high	96.1	Very high	45 Å²	45	49.8 Å²	49.8	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.5	169.7	-65.8	-38.4	0	0	0	109.8	L615 R616 R691	L615-D626 WeakPolarHBondContact O-CA 3.26Å; R616-D626 WeakPolarHBondContact CD-OD1 3.31Å; R616-D626 IonicContact CZ-OD1 3.53Å; R616-D626 IonicContact CZ-OD2 2.68Å; R616-D626 IonicContact NE-OD1 3.4Å; R616-D626 PolarHBondContact NE-OD1 3.42Å; R616-D626 IonicContact NE-OD2 2.69Å; R616-D626 IonicContact NH1-OD1 3.93Å; R616-D626 PolarHBondContact NH1-OD1 2.88Å; R616-D626 IonicContact NH1-OD2 3.74Å; R616-D626 PolarHBondContact NH1-OD2 3.24Å; R616-D626 IonicContact NH2-OD1 2.78Å; R616-D626 IonicContact NH2-OD2 3.27Å; R616-D626 PolarHBondContact NH2-OD2 3.13Å; D626-R691 VanDerWaalsContact O-CZ 3.29Å; D626-R691 PolarHBondContact O-NH1 2.87Å; D626-R691 PolarHBondContact O-NH2 3.47Å
627	V	97.6	Very high	96	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.6	172.4	-58.1	0	0	0	0	110.1	K614 L615 L617 I625 V683 D684	K614-V627 WeakPolarHBondContact CA-O 3.45Å; L615-V627 HydrophobicContact CB-CG2 3.76Å; L615-V627 HydrophobicContact CD1-CG2 4.42Å; L615-V627 PolarHBondContact N-O 2.83Å; L615-V627 PolarHBondContact O-N 3.09Å; L617-V627 HydrophobicContact CD1-CB 4.41Å; L617-V627 HydrophobicContact CD1-CG1 3.66Å; L617-V627 HydrophobicContact CD1-CG2 3.81Å; L617-V627 HydrophobicContact CD2-CG2 4.13Å; L617-V627 HydrophobicContact CG-CG1 4.25Å; L617-V627 HydrophobicContact CG-CG2 3.91Å; I625-V627 HydrophobicContact CG2-CG1 4.41Å; V627-V683 HydrophobicContact CB-CG1 4.05Å; V627-V683 HydrophobicContact CG2-CG1 3.68Å; V627-D684 WeakPolarHBondContact CB-O 3.43Å
628	E	97.5	Very high	95.7	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.8	175.4	-63	-66.1	175.2	0	0	109.3	K517 K614 V660 V683 D684	K517-E628 HydrophobicContact CG-CG 4.49Å; K517-E628 IonicContact NZ-OE1 2.8Å; K517-E628 PolarHBondContact NZ-OE1 3.45Å; K517-E628 IonicContact NZ-OE2 2.71Å; K517-E628 PolarHBondContact NZ-OE2 3.33Å; K614-E628 WeakPolarHBondContact CE-OE1 3.41Å; K614-E628 WeakPolarHBondContact CG-OE2 3.36Å; K614-E628 IonicContact NZ-OE1 2.68Å; E628-V660 HydrophobicContact CB-CB 4.27Å; E628-V660 HydrophobicContact CB-CG1 3.81Å; E628-V683 WeakPolarHBondContact O-CA 3.45Å; E628-D684 PolarHBondContact O-N 3.16Å
629	A	98.3	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.2	176.4	0	0	0	0	0	111.6	Y612 T613 L615 Q682 V683	Y612-A629 WeakPolarHBondContact CA-O 3.19Å; T613-A629 HydrophobicContact CG2-CB 3.97Å; T613-A629 PolarHBondContact N-O 3.2Å; T613-A629 PolarHBondContact O-N 3.44Å; L615-A629 HydrophobicContact CD1-CB 3.86Å; L615-A629 HydrophobicContact CG-CB 4.05Å; A629-Q682 CarbonylContact C-O 3.44Å; A629-Q682 WeakPolarHBondContact CA-O 3.45Å; A629-V683 HydrophobicContact CB-CG2 4.1Å
630	K	98.1	Very high	95.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.4	172.4	-178.8	175.6	-179.1	176.9	0	108.7	I610 Y612 Y632 V660 T661 A663 A681 Q682	I610-K630 HydrophobicContact CG2-CD 4.32Å; I610-K630 HydrophobicContact CG2-CG 3.92Å; Y612-K630 HydrophobicContact CD1-CB 4.09Å; Y612-K630 HydrophobicContact CD1-CG 4.16Å; Y612-K630 HydrophobicContact CE1-CB 4Å; Y612-K630 HydrophobicContact CE1-CD 3.68Å; Y612-K630 HydrophobicContact CE1-CG 3.69Å; Y612-K630 WeakPolarHBondContact OH-CE 3.28Å; K630-Y632 HydrophobicContact CD-CE2 4.12Å; K630-Y632 VanDerWaalsContact CE-OH 3.31Å; K630-Y632 WeakPolarHBondContact CE-OH 3.1Å; K630-Y632 HydrophobicContact CG-CE2 4.05Å; K630-Y632 PolarHBondContact NZ-OH 3.5Å; K630-V660 HydrophobicContact CB-CG1 4.03Å; K630-V660 HydrophobicContact CB-CG2 4.28Å; K630-T661 PolarHBondContact NZ-O 2.76Å; K630-A663 PolarHBondContact NZ-O 3.34Å; K630-A681 WeakPolarHBondContact O-CA 3.37Å; K630-Q682 HydrophobicContact CB-CB 4.35Å; K630-Q682 PolarHBondContact N-O 3.22Å; K630-Q682 PolarHBondContact O-N 2.83Å
631	L	98.4	Very high	95.1	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135	179.6	-57.8	-180	0	0	0	110.1	I610 E611 L633 V680 A681 L718 Y722	I610-L631 WeakPolarHBondContact CA-O 3.26Å; E611-L631 HydrophobicContact CB-CB 4.38Å; E611-L631 PolarHBondContact N-O 3.43Å; E611-L631 PolarHBondContact O-N 2.78Å; L631-L633 HydrophobicContact CB-CD2 4.15Å; L631-L633 HydrophobicContact CB-CG 4.46Å; L631-V680 CarbonylContact C-O 3.52Å; L631-V680 VanDerWaalsContact CA-O 3.26Å; L631-V680 WeakPolarHBondContact CA-O 3.37Å; L631-A681 HydrophobicContact CD2-CB 3.57Å; L631-L718 HydrophobicContact CD1-CD2 4.36Å; L631-L718 HydrophobicContact CD2-CD1 4.49Å; L631-L718 HydrophobicContact CD2-CD2 3.95Å; L631-Y722 HydrophobicContact CD1-CD2 4.32Å; L631-Y722 HydrophobicContact CD1-CE2 3.62Å
632	Y	98.4	Very high	94.7	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.8	166.2	-59.3	-118.3	0	0	0	105.9	P608 I610 K630 T665 S673 I679 V680 Q682	P608-Y632 HydrophobicContact CG-CD1 3.86Å; I610-Y632 HydrophobicContact CD1-CD1 3.28Å; I610-Y632 HydrophobicContact CD1-CD2 4.25Å; I610-Y632 HydrophobicContact CD1-CE1 3.46Å; I610-Y632 VanDerWaalsContact CD1-CE1 3.46Å; I610-Y632 HydrophobicContact CD1-CE2 4.38Å; I610-Y632 HydrophobicContact CD1-CG 3.69Å; K630-Y632 HydrophobicContact CD-CE2 4.12Å; K630-Y632 VanDerWaalsContact CE-OH 3.31Å; K630-Y632 WeakPolarHBondContact CE-OH 3.1Å; K630-Y632 HydrophobicContact CG-CE2 4.05Å; K630-Y632 PolarHBondContact NZ-OH 3.5Å; Y632-T665 PolarHBondContact OH-OG1 3.34Å; Y632-S673 PolarHBondContact O-OG 2.84Å; Y632-S673 VanDerWaalsContact O-OG 3.1Å; Y632-I679 WeakPolarHBondContact O-CA 3.45Å; Y632-V680 HydrophobicContact CD2-CB 3.98Å; Y632-V680 HydrophobicContact CD2-CG1 4.23Å; Y632-V680 HydrophobicContact CG-CB 4.18Å; Y632-V680 PolarHBondContact N-O 3.13Å; Y632-V680 PolarHBondContact O-N 3.39Å; Y632-Q682 HydrophobicContact CE2-CG 4.2Å; Y632-Q682 PolarHBondContact OH-OE1 3.19Å
633	L	98	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.8	179.3	-56.4	-179	0	0	0	109.1	P608 R609 E611 L631 L637 I679 Y724	P608-L633 CarbonylContact C-O 3.35Å; P608-L633 WeakPolarHBondContact CA-O 3.48Å; P608-L633 WeakPolarHBondContact CB-O 3.31Å; R609-L633 HydrophobicContact CB-CB 4.38Å; R609-L633 PolarHBondContact N-O 2.7Å; R609-L633 PolarHBondContact O-N 2.85Å; E611-L633 HydrophobicContact CB-CD1 4.5Å; E611-L633 HydrophobicContact CG-CD1 3.93Å; E611-L633 VanDerWaalsContact OE1-CD1 3.27Å; E611-L633 WeakPolarHBondContact OE1-CD1 3.4Å; L631-L633 HydrophobicContact CB-CD2 4.15Å; L631-L633 HydrophobicContact CB-CG 4.46Å; L633-L637 HydrophobicContact CB-CD1 4.49Å; L633-L637 HydrophobicContact CD2-CD1 4.34Å; L633-I679 HydrophobicContact CD2-CG1 4.18Å; L633-I679 HydrophobicContact CD2-CG2 3.98Å; L633-Y724 HydrophobicContact CD2-CE2 4.38Å
634	P	97.6	Very high	94.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.013	23%	0.23	C	C	.	.			trans	-50.1	140.6	171.9	-26.7	34.3	0	0	0	111	E636 L637 Y645 K677	P634-E636 HydrophobicContact CB-CG 4.49Å; P634-E636 PolarHBondContact O-N 3.37Å; P634-E636 VanDerWaalsContact O-N 3.15Å; P634-L637 HydrophobicContact CB-CB 4.31Å; P634-L637 VanDerWaalsContact O-CB 3.23Å; P634-L637 WeakPolarHBondContact O-CB 2.94Å; P634-L637 PolarHBondContact O-N 2.89Å; P634-Y645 HydrophobicContact CB-CE1 4.43Å; P634-Y645 HydrophobicContact CG-CD1 4.03Å; P634-Y645 HydrophobicContact CG-CE1 4.32Å; P634-K677 HydrophobicContact CG-CB 4.43Å
635	P	95.3	Very high	95	Very high	21 Å²	21	39.4 Å²	39.4	14%	0.136	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.5	-172.8	19.3	-31.6	0	0	0	113	Y112 A606	Y112-P635 HydrophobicContact CD1-CB 4.01Å; Y112-P635 WeakPolarHBondContact CD1-O 3.47Å; Y112-P635 WeakPolarHBondContact CE1-O 3.46Å; Y112-P635 HydrophobicContact CG-CB 4.28Å; A606-P635 HydrophobicContact CB-CB 4.32Å; A606-P635 HydrophobicContact CB-CG 4.05Å
636	E	92.1	Very high	95.1	Very high	64 Å²	64	39 Å²	39	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.8	179.6	62.9	-159.2	-120.6	0	0	115.2	Y112 P634 D638 K677	Y112-E636 HydrophobicContact CE2-CB 4.13Å; P634-E636 HydrophobicContact CB-CG 4.49Å; P634-E636 PolarHBondContact O-N 3.37Å; P634-E636 VanDerWaalsContact O-N 3.15Å; E636-D638 PolarHBondContact O-N 2.68Å; E636-D638 VanDerWaalsContact O-N 3.1Å; E636-K677 WeakPolarHBondContact OE1-CD 3.49Å; E636-K677 WeakPolarHBondContact OE1-CE 3.34Å; E636-K677 IonicContact OE1-NZ 2.61Å; E636-K677 PolarHBondContact OE1-NZ 3.48Å; E636-K677 IonicContact OE2-NZ 3.76Å
637	L	94.8	Very high	95.2	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	20%	0.204	C	C	.	.			trans	-67.1	112.8	-179.8	-173.8	156.2	0	0	0	110.2	L633 P634 P639 Y645 I679 Y724	L633-L637 HydrophobicContact CB-CD1 4.49Å; L633-L637 HydrophobicContact CD2-CD1 4.34Å; P634-L637 HydrophobicContact CB-CB 4.31Å; P634-L637 VanDerWaalsContact O-CB 3.23Å; P634-L637 WeakPolarHBondContact O-CB 2.94Å; P634-L637 PolarHBondContact O-N 2.89Å; L637-P639 HydrophobicContact CD2-CG 4.06Å; L637-Y645 HydrophobicContact CB-CE2 4.2Å; L637-Y645 HydrophobicContact CD1-CD2 3.62Å; L637-Y645 HydrophobicContact CD1-CE2 3.8Å; L637-Y645 HydrophobicContact CD1-CG 4.12Å; L637-Y645 HydrophobicContact CG-CD2 4.03Å; L637-Y645 HydrophobicContact CG-CE2 3.66Å; L637-I679 HydrophobicContact CD1-CD1 3.76Å; L637-I679 HydrophobicContact CD1-CG1 3.9Å; L637-Y724 HydrophobicContact CD1-CD2 3.81Å; L637-Y724 HydrophobicContact CD1-CE2 3.96Å; L637-Y724 HydrophobicContact CD1-CG 4.46Å; L637-Y724 HydrophobicContact CD2-CD1 4.39Å; L637-Y724 HydrophobicContact CD2-CD2 4.23Å; L637-Y724 HydrophobicContact CD2-CE1 4.32Å; L637-Y724 HydrophobicContact CD2-CE2 4.14Å; L637-Y724 HydrophobicContact CD2-CG 4.33Å; L637-Y724 HydrophobicContact CG-CD2 4.49Å
638	D	92.1	Very high	95.3	Very high	63 Å²	63	36.8 Å²	36.8	34%	0.337	20%	0.204	S	C	.	.			trans	-104.7	115.1	169.3	-171.3	-14.8	0	0	0	110.2	E636 A640 H641	E636-D638 PolarHBondContact O-N 2.68Å; E636-D638 VanDerWaalsContact O-N 3.1Å; D638-A640 PolarHBondContact O-N 3.25Å; D638-A640 VanDerWaalsContact O-N 3.14Å; D638-A640 WeakPolarHBondContact OD1-CB 2.97Å; D638-A640 PolarHBondContact OD1-N 2.82Å; D638-H641 HydrophobicContact CB-CB 4.47Å; D638-H641 PolarHBondContact O-N 2.95Å; D638-H641 VanDerWaalsContact O-N 3.1Å; D638-H641 IonicContact OD2-CD2 3.91Å; D638-H641 IonicContact OD2-CE1 3.88Å; D638-H641 IonicContact OD2-NE2 3.66Å
639	P	90.7	Very high	95.4	Very high	49 Å²	49	36.5 Å²	36.5	32%	0.318	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	175.7	-24.3	35.1	0	0	0	114.6	L637 H641 H723 Y724	L637-P639 HydrophobicContact CD2-CG 4.06Å; P639-H641 VanDerWaalsContact C-N 3.32Å; P639-H723 PolarHBondContact O-CE1 2.8Å; P639-H723 PolarHBondContact O-NE2 2.84Å; P639-Y724 HydrophobicContact CB-CD1 4.16Å; P639-Y724 HydrophobicContact CB-CE1 3.96Å; P639-Y724 HydrophobicContact CG-CE1 4.19Å
640	A	89.5	Confident	95.4	Very high	85 Å²	85	38.3 Å²	38.3	70%	0.702	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.2	178	0	0	0	0	0	113.1	D638	D638-A640 PolarHBondContact O-N 3.25Å; D638-A640 VanDerWaalsContact O-N 3.14Å; D638-A640 WeakPolarHBondContact OD1-CB 2.97Å; D638-A640 PolarHBondContact OD1-N 2.82Å
641	H	88	Confident	95.3	Very high	94 Å²	94	38.1 Å²	38.1	44%	0.435	21%	0.209	S	C	.	.	S	Bend	trans	-81.1	153.9	179.7	-68.1	173.8	0	0	0	112	D638 P639 T643	D638-H641 HydrophobicContact CB-CB 4.47Å; D638-H641 PolarHBondContact O-N 2.95Å; D638-H641 VanDerWaalsContact O-N 3.1Å; D638-H641 IonicContact OD2-CD2 3.91Å; D638-H641 IonicContact OD2-CE1 3.88Å; D638-H641 IonicContact OD2-NE2 3.66Å; P639-H641 VanDerWaalsContact C-N 3.32Å; H641-T643 PolarHBondContact O-N 3.27Å
642	I	88.3	Confident	95.2	Very high	165 Å²	165	40.2 Å²	40.2	85%	0.846	22%	0.217	S	C	*	.	S	Bend	trans	-75.9	-6.7	175.5	-164	163.1	0	0	0	113.1	Q644	I642-Q644 PolarHBondContact O-N 2.78Å
643	T	93.6	Very high	94.9	Very high	71 Å²	71	40.4 Å²	40.4	44%	0.436	22%	0.219	S	C	.	.			trans	-66.3	126.9	-177	-56.8	0	0	0	0	110.4	H641 Y645	H641-T643 PolarHBondContact O-N 3.27Å; T643-Y645 HydrophobicContact CG2-CE1 4.5Å; T643-Y645 HydrophobicContact CG2-CE2 3.96Å
644	Q	96.3	Very high	94.6	Very high	101 Å²	101	40.4 Å²	40.4	47%	0.472	22%	0.22	S	C	.	.			trans	-102.8	148.2	174.5	-59.6	-172.7	-45.9	0	0	110.8	I642 H723 Y724 N726	I642-Q644 PolarHBondContact O-N 2.78Å; Q644-H723 PolarHBondContact NE2-O 3Å; Q644-Y724 CarbonylContact C-O 3.55Å; Q644-Y724 VanDerWaalsContact CA-O 3.24Å; Q644-Y724 WeakPolarHBondContact CA-O 3.33Å; Q644-N726 HydrophobicContact CB-CB 3.93Å
645	Y	98.3	Very high	94.4	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.075	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.8	-176.5	-62	-95.4	0	0	0	110.3	P634 L637 T643 K677 I679 Y724 N726	P634-Y645 HydrophobicContact CB-CE1 4.43Å; P634-Y645 HydrophobicContact CG-CD1 4.03Å; P634-Y645 HydrophobicContact CG-CE1 4.32Å; L637-Y645 HydrophobicContact CB-CE2 4.2Å; L637-Y645 HydrophobicContact CD1-CD2 3.62Å; L637-Y645 HydrophobicContact CD1-CE2 3.8Å; L637-Y645 HydrophobicContact CD1-CG 4.12Å; L637-Y645 HydrophobicContact CG-CD2 4.03Å; L637-Y645 HydrophobicContact CG-CE2 3.66Å; T643-Y645 HydrophobicContact CG2-CE1 4.5Å; T643-Y645 HydrophobicContact CG2-CE2 3.96Å; Y645-K677 HydrophobicContact CD1-CB 4.19Å; Y645-K677 WeakPolarHBondContact CD1-O 3.45Å; Y645-K677 HydrophobicContact CE1-CB 4.31Å; Y645-I679 HydrophobicContact CG-CD1 4.48Å; Y645-Y724 PolarHBondContact N-O 2.93Å; Y645-N726 PolarHBondContact O-N 2.92Å
646	P	98.4	Very high	94.3	Very high	19 Å²	19	41.9 Å²	41.9	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	153.7	168.7	-21.1	31.6	0	0	0	112	V678 I679 Q729 Y867	P646-V678 HydrophobicContact CB-CG1 4.27Å; P646-V678 HydrophobicContact CB-CG2 4.24Å; P646-V678 HydrophobicContact CG-CG2 4.44Å; P646-I679 PolarHBondContact O-N 2.98Å; P646-Q729 WeakPolarHBondContact CA-O 3.32Å; P646-Q729 HydrophobicContact CB-CB 3.91Å; P646-Q729 HydrophobicContact CG-CB 4.23Å; P646-Y867 HydrophobicContact CB-CD1 4.06Å; P646-Y867 HydrophobicContact CB-CD2 3.68Å; P646-Y867 HydrophobicContact CB-CE1 4.11Å; P646-Y867 HydrophobicContact CB-CE2 3.76Å; P646-Y867 HydrophobicContact CB-CG 3.84Å; P646-Y867 HydrophobicContact CG-CD2 4.05Å; P646-Y867 HydrophobicContact CG-CG 4.17Å
647	L	98.8	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.9	173.9	176.1	66	0	0	0	110.2	I679 A681 I725 Q729 V730 G731 Y867	L647-I679 CarbonylContact C-O 3.57Å; L647-I679 WeakPolarHBondContact CA-O 3.41Å; L647-I679 HydrophobicContact CD1-CB 4.26Å; L647-I679 HydrophobicContact CD1-CG2 3.85Å; L647-A681 HydrophobicContact CD1-CB 3.87Å; L647-I725 HydrophobicContact CB-CG2 3.94Å; L647-I725 HydrophobicContact CD2-CD1 4.44Å; L647-I725 HydrophobicContact CD2-CG2 4.13Å; L647-Q729 PolarHBondContact N-O 3.27Å; L647-V730 HydrophobicContact CB-CG1 4.35Å; L647-V730 HydrophobicContact CB-CG2 4.3Å; L647-V730 HydrophobicContact CD2-CG1 4.06Å; L647-V730 HydrophobicContact CD2-CG2 4.48Å; L647-V730 HydrophobicContact CG-CG1 4.3Å; L647-V730 CarbonylContact O-C 3.31Å; L647-V730 WeakPolarHBondContact O-CA 3.3Å; L647-G731 PolarHBondContact O-N 2.91Å; L647-Y867 PolarHBondContact O-OH 2.97Å
648	L	98.8	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.3	167.2	179.7	64.1	0	0	0	109.3	Y650 W668 L669 I672 V678 I679 V680 A681 G731 L863	L648-Y650 PolarHBondContact O-N 3.45Å; L648-W668 HydrophobicContact CD2-CH2 3.99Å; L648-W668 HydrophobicContact CD2-CZ3 3.83Å; L648-L669 HydrophobicContact CD2-CD2 4.29Å; L648-I672 HydrophobicContact CD2-CG2 3.97Å; L648-V678 HydrophobicContact CB-CG1 3.69Å; L648-I679 PolarHBondContact N-O 2.85Å; L648-V680 HydrophobicContact CB-CG2 4.38Å; L648-V680 HydrophobicContact CD2-CG2 4.35Å; L648-V680 CarbonylContact O-C 3.55Å; L648-V680 VanDerWaalsContact O-CA 3.31Å; L648-V680 WeakPolarHBondContact O-CA 3.43Å; L648-A681 PolarHBondContact O-N 3.44Å; L648-G731 WeakPolarHBondContact CA-O 3.26Å; L648-L863 HydrophobicContact CD1-CD1 3.77Å; L648-L863 HydrophobicContact CD1-CD2 4Å; L648-L863 HydrophobicContact CD2-CD1 3.77Å; L648-L863 HydrophobicContact CG-CD1 4.35Å
649	L	98.8	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.3	168.3	-179	73.4	0	0	0	109.3	A651 A681 V683 Q711 V715 G731 A732 Y733 L745	L649-A651 HydrophobicContact CD2-CB 4.14Å; L649-A651 HydrophobicContact CG-CB 4.24Å; L649-A651 PolarHBondContact O-N 3.06Å; L649-A681 WeakPolarHBondContact CA-O 3.35Å; L649-A681 HydrophobicContact CD1-CB 4.37Å; L649-V683 HydrophobicContact CD1-CG2 4.27Å; L649-Q711 HydrophobicContact CD2-CB 4.32Å; L649-V715 HydrophobicContact CB-CG2 4.43Å; L649-V715 HydrophobicContact CD1-CG2 4.32Å; L649-V715 HydrophobicContact CD2-CG2 3.79Å; L649-V715 HydrophobicContact CG-CG2 4.41Å; L649-G731 PolarHBondContact N-O 2.95Å; L649-A732 HydrophobicContact CB-CB 4.38Å; L649-A732 CarbonylContact O-C 3.55Å; L649-A732 VanDerWaalsContact O-CA 3.24Å; L649-A732 WeakPolarHBondContact O-CA 3.13Å; L649-Y733 PolarHBondContact O-N 3.3Å; L649-L745 HydrophobicContact CD2-CD1 3.8Å
650	Y	98.5	Very high	94.7	Very high	38 Å²	38	40.2 Å²	40.2	15%	0.149	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107.3	163	172.4	-110.2	0	0	0	109	L648 V659 L669 A681 Q682 Y733	L648-Y650 PolarHBondContact O-N 3.45Å; Y650-V659 HydrophobicContact CD1-CB 4.44Å; Y650-V659 HydrophobicContact CD1-CG1 4.31Å; Y650-V659 HydrophobicContact CE1-CB 4.09Å; Y650-V659 HydrophobicContact CE1-CG1 3.58Å; Y650-L669 HydrophobicContact CD1-CD1 3.98Å; Y650-L669 HydrophobicContact CD2-CD1 4.35Å; Y650-L669 HydrophobicContact CE1-CD1 4.5Å; Y650-L669 HydrophobicContact CG-CD1 3.83Å; Y650-L669 HydrophobicContact CG-CD2 4.45Å; Y650-A681 PolarHBondContact N-O 3.15Å; Y650-Q682 HydrophobicContact CD1-CB 4.49Å; Y650-Q682 HydrophobicContact CD1-CG 3.83Å; Y650-Q682 HydrophobicContact CG-CG 4.48Å; Y650-Y733 WeakPolarHBondContact CA-O 3.49Å; Y650-Y733 AromaticContact CD2-CD1 3.51Å; Y650-Y733 HydrophobicContact CD2-CD1 3.51Å; Y650-Y733 AromaticContact CD2-CE1 3.65Å; Y650-Y733 HydrophobicContact CD2-CE1 3.65Å; Y650-Y733 HydrophobicContact CD2-CG 4.41Å; Y650-Y733 HydrophobicContact CE2-CD1 4.11Å; Y650-Y733 AromaticContact CE2-CE1 3.79Å; Y650-Y733 HydrophobicContact CE2-CE1 3.79Å
651	A	96.5	Very high	95	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.			trans	-108.2	122.7	-177.3	0	0	0	0	0	109.9	L649 Y733 G738 T741 L745	L649-A651 HydrophobicContact CD2-CB 4.14Å; L649-A651 HydrophobicContact CG-CB 4.24Å; L649-A651 PolarHBondContact O-N 3.06Å; A651-Y733 PolarHBondContact N-O 3.4Å; A651-G738 WeakPolarHBondContact O-CA 3.36Å; A651-T741 HydrophobicContact CB-CG2 3.6Å; A651-L745 HydrophobicContact CB-CD1 3.98Å
652	Y	96.6	Very high	95.3	Very high	46 Å²	46	33 Å²	33	18%	0.18	17%	0.168	C	C	.	.			trans	-105.6	-70.3	166.5	-166.9	-107	0	0	0	110.7	G654 F657 V659 Y737 T741	Y652-G654 PolarHBondContact O-N 3.28Å; Y652-G654 VanDerWaalsContact O-N 3.15Å; Y652-F657 HydrophobicContact CD1-CB 3.76Å; Y652-F657 AromaticContact CD1-CD1 3.33Å; Y652-F657 HydrophobicContact CD1-CD1 3.33Å; Y652-F657 HydrophobicContact CD1-CE1 4.11Å; Y652-F657 AromaticContact CD1-CG 3.71Å; Y652-F657 HydrophobicContact CD1-CG 3.71Å; Y652-F657 HydrophobicContact CE1-CB 3.46Å; Y652-F657 VanDerWaalsContact CE1-CB 3.46Å; Y652-F657 AromaticContact CE1-CD1 3.52Å; Y652-F657 HydrophobicContact CE1-CD1 3.52Å; Y652-F657 HydrophobicContact CE1-CD2 4.13Å; Y652-F657 HydrophobicContact CE1-CE1 4.28Å; Y652-F657 AromaticContact CE1-CG 3.43Å; Y652-F657 HydrophobicContact CE1-CG 3.43Å; Y652-F657 VanDerWaalsContact CE1-CG 3.43Å; Y652-F657 HydrophobicContact CG-CD1 4.08Å; Y652-F657 HydrophobicContact CG-CE1 4.49Å; Y652-V659 HydrophobicContact CG-CG1 4.38Å; Y652-Y737 VanDerWaalsContact O-CD1 3.29Å; Y652-Y737 WeakPolarHBondContact O-CD1 3.47Å; Y652-T741 PolarHBondContact O-OG1 3.44Å
653	G	91.5	Very high	95.5	Very high	5 Å²	5	25.7 Å²	25.7	5%	0.052	13%	0.132	C	C	.	.			trans	71.7	0.2	173.7	0	0	0	0	0	116.1	Y737	G653-Y737 WeakPolarHBondContact O-CE1 3.44Å
654	G	92.4	Very high	95.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	12%	0.121	C	C	.	.			trans	-63.7	148.4	177.4	0	0	0	0	0	113.2	Y652 T656 F657 Y737	Y652-G654 PolarHBondContact O-N 3.28Å; Y652-G654 VanDerWaalsContact O-N 3.15Å; G654-T656 PolarHBondContact O-N 2.83Å; G654-F657 PolarHBondContact O-N 2.97Å; G654-Y737 VanDerWaalsContact CA-CE1 3.5Å; G654-Y737 VanDerWaalsContact N-CD1 3.3Å
655	P	93.7	Very high	95	Very high	11 Å²	11	21.3 Å²	21.3	7%	0.071	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	137.2	177.8	-21.7	25.7	0	0	0	113.4	W433 F657 I699 L703 Y773 Y777	W433-P655 HydrophobicContact CH2-CB 4.29Å; P655-F657 PolarHBondContact O-N 2.99Å; P655-I699 HydrophobicContact CB-CD1 3.99Å; P655-I699 HydrophobicContact CG-CD1 3.67Å; P655-L703 HydrophobicContact CG-CD2 4.04Å; P655-Y773 WeakPolarHBondContact CD-OH 3.41Å; P655-Y777 HydrophobicContact CB-CD1 3.87Å; P655-Y777 HydrophobicContact CB-CE1 3.35Å; P655-Y777 HydrophobicContact CB-CE2 4.2Å; P655-Y777 HydrophobicContact CB-CG 4.47Å; P655-Y777 HydrophobicContact CG-CD1 3.84Å; P655-Y777 HydrophobicContact CG-CD2 4.05Å; P655-Y777 HydrophobicContact CG-CE1 3.77Å; P655-Y777 HydrophobicContact CG-CE2 4Å; P655-Y777 HydrophobicContact CG-CG 3.98Å
656	T	91.8	Very high	94.7	Very high	43 Å²	43	20.5 Å²	20.5	26%	0.264	11%	0.106	S	C	.	.	B	Isolated β-bridge	trans	67.3	-22.7	176.1	-47.8	0	0	0	0	115.3	G654 G687 G689 E696	G654-T656 PolarHBondContact O-N 2.83Å; T656-G687 PolarHBondContact N-O 3.14Å; T656-G689 WeakPolarHBondContact O-CA 3.36Å; T656-G689 PolarHBondContact O-N 2.89Å; T656-G689 VanDerWaalsContact O-N 3.09Å; T656-E696 PolarHBondContact OG1-OE1 2.94Å
657	F	92.4	Very high	94.4	Very high	105 Å²	105	21.2 Å²	21.2	46%	0.461	11%	0.108	S	C	.	.			trans	-77.5	143.8	-176.1	-163.1	-88.9	0	0	0	112.2	Y652 G654 P655 V659 T688	Y652-F657 HydrophobicContact CD1-CB 3.76Å; Y652-F657 AromaticContact CD1-CD1 3.33Å; Y652-F657 HydrophobicContact CD1-CD1 3.33Å; Y652-F657 HydrophobicContact CD1-CE1 4.11Å; Y652-F657 AromaticContact CD1-CG 3.71Å; Y652-F657 HydrophobicContact CD1-CG 3.71Å; Y652-F657 HydrophobicContact CE1-CB 3.46Å; Y652-F657 VanDerWaalsContact CE1-CB 3.46Å; Y652-F657 AromaticContact CE1-CD1 3.52Å; Y652-F657 HydrophobicContact CE1-CD1 3.52Å; Y652-F657 HydrophobicContact CE1-CD2 4.13Å; Y652-F657 HydrophobicContact CE1-CE1 4.28Å; Y652-F657 AromaticContact CE1-CG 3.43Å; Y652-F657 HydrophobicContact CE1-CG 3.43Å; Y652-F657 VanDerWaalsContact CE1-CG 3.43Å; Y652-F657 HydrophobicContact CG-CD1 4.08Å; Y652-F657 HydrophobicContact CG-CE1 4.49Å; G654-F657 PolarHBondContact O-N 2.97Å; P655-F657 PolarHBondContact O-N 2.99Å; F657-V659 HydrophobicContact CD1-CG1 4.08Å; F657-V659 HydrophobicContact CE1-CG1 3.86Å; F657-T688 WeakPolarHBondContact O-CB 3.37Å; F657-T688 WeakPolarHBondContact O-CG2 3.33Å
658	Q	93.9	Very high	94.3	Very high	29 Å²	29	21.4 Å²	21.4	14%	0.136	11%	0.109	C	C	.	.			trans	-119.4	132.3	177.2	-65.8	-175.2	-89.2	0	0	109.7	S516 T661 D684 G689	S516-Q658 PolarHBondContact O-NE2 3.35Å; Q658-T661 HydrophobicContact CB-CG2 4.2Å; Q658-D684 WeakPolarHBondContact CB-OD2 3.4Å; Q658-G689 WeakPolarHBondContact CG-O 3.25Å; Q658-G689 PolarHBondContact NE2-O 3.05Å
659	V	95.7	Very high	94.3	Very high	12 Å²	12	21.6 Å²	21.6	7%	0.073	11%	0.11	C	C	.	.	S	Bend	trans	-103.5	-20.6	169.6	-65.1	0	0	0	0	111.9	Y650 Y652 F657 T661 Q682 D684	Y650-V659 HydrophobicContact CD1-CB 4.44Å; Y650-V659 HydrophobicContact CD1-CG1 4.31Å; Y650-V659 HydrophobicContact CE1-CB 4.09Å; Y650-V659 HydrophobicContact CE1-CG1 3.58Å; Y652-V659 HydrophobicContact CG-CG1 4.38Å; F657-V659 HydrophobicContact CD1-CG1 4.08Å; F657-V659 HydrophobicContact CE1-CG1 3.86Å; V659-T661 PolarHBondContact O-N 3Å; V659-Q682 HydrophobicContact CB-CB 4.43Å; V659-Q682 HydrophobicContact CG2-CB 3.94Å; V659-Q682 PolarHBondContact O-OE1 2.97Å; V659-D684 WeakPolarHBondContact CG2-OD1 3.22Å; V659-D684 PolarHBondContact N-OD1 3.02Å; V659-D684 PolarHBondContact N-OD2 3.49Å
660	V	97.1	Very high	94.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.			trans	-92.7	86.9	178.3	-177.1	0	0	0	0	109.2	K517 Y612 E628 K630 Q682 D684	K517-V660 HydrophobicContact CD-CG1 3.6Å; K517-V660 HydrophobicContact CG-CG1 3.9Å; K517-V660 WeakPolarHBondContact CG-O 3.21Å; Y612-V660 HydrophobicContact CD1-CG1 4.35Å; E628-V660 HydrophobicContact CB-CB 4.27Å; E628-V660 HydrophobicContact CB-CG1 3.81Å; K630-V660 HydrophobicContact CB-CG1 4.03Å; K630-V660 HydrophobicContact CB-CG2 4.28Å; V660-Q682 HydrophobicContact CG2-CB 4.12Å; V660-Q682 WeakPolarHBondContact CG2-O 3.35Å; V660-D684 HydrophobicContact CB-CB 4.16Å; V660-D684 WeakPolarHBondContact CB-OD2 3.23Å; V660-D684 HydrophobicContact CG2-CB 4.14Å; V660-D684 PolarHBondContact N-OD1 3.1Å; V660-D684 PolarHBondContact N-OD2 2.83Å
661	T	95.3	Very high	94.2	Very high	20 Å²	20	21.4 Å²	21.4	12%	0.123	11%	0.11	C	C	.	.			trans	-124.2	155.9	175.2	69.2	0	0	0	0	110.9	K517 Y543 Y612 K630 Q658 V659 A663	K517-T661 WeakPolarHBondContact O-CA 3.41Å; Y543-T661 HydrophobicContact CE2-CG2 3.97Å; Y612-T661 WeakPolarHBondContact CE1-O 3.2Å; Y612-T661 PolarHBondContact OH-O 3.4Å; Y612-T661 VanDerWaalsContact OH-O 3.07Å; K630-T661 PolarHBondContact NZ-O 2.76Å; Q658-T661 HydrophobicContact CB-CG2 4.2Å; V659-T661 PolarHBondContact O-N 3Å; T661-A663 PolarHBondContact O-N 2.88Å; T661-A663 WeakPolarHBondContact OG1-CB 3.46Å; T661-A663 PolarHBondContact OG1-N 3.23Å
662	S	94.4	Very high	94.2	Very high	7 Å²	7	21.4 Å²	21.4	5%	0.049	11%	0.11	C	C	.	.	S	Bend	trans	-76.5	5.7	173.4	55.1	0	0	0	0	113.6	K517 N518 T542 G561 S562 Y612	K517-S662 PolarHBondContact O-N 2.9Å; K517-S662 PolarHBondContact O-OG 3.06Å; K517-S662 VanDerWaalsContact O-OG 3.14Å; N518-S662 WeakPolarHBondContact OD1-CB 3.49Å; N518-S662 PolarHBondContact OD1-OG 2.78Å; T542-S662 WeakPolarHBondContact CB-OG 3.34Å; T542-S662 PolarHBondContact O-OG 3Å; T542-S662 WeakPolarHBondContact OG1-CB 3.12Å; T542-S662 PolarHBondContact OG1-OG 3.23Å; G561-S662 CarbonylContact C-O 3.53Å; G561-S662 VanDerWaalsContact C-O 3.31Å; G561-S662 WeakPolarHBondContact CA-O 3.17Å; S562-S662 PolarHBondContact N-O 2.83Å; Y612-S662 WeakPolarHBondContact OH-CA 3.47Å
663	A	92.5	Very high	94.3	Very high	13 Å²	13	19.2 Å²	19.2	11%	0.107	10%	0.101	C	C	.	.			trans	-66.2	137.8	177.2	0	0	0	0	0	111.7	Y543 R560 K630 T661	Y543-A663 HydrophobicContact CD1-CB 3.91Å; Y543-A663 HydrophobicContact CD2-CB 4.22Å; Y543-A663 HydrophobicContact CE1-CB 4.24Å; Y543-A663 HydrophobicContact CG-CB 3.88Å; R560-A663 CarbonylContact O-C 3.49Å; R560-A663 WeakPolarHBondContact O-CA 3.44Å; K630-A663 PolarHBondContact NZ-O 3.34Å; T661-A663 PolarHBondContact O-N 2.88Å; T661-A663 WeakPolarHBondContact OG1-CB 3.46Å; T661-A663 PolarHBondContact OG1-N 3.23Å
664	F	90.7	Very high	94.6	Very high	45 Å²	45	19.5 Å²	19.5	20%	0.197	10%	0.103	C	C	.	.			trans	-77.3	131.2	172.1	-177.9	-84.8	0	0	0	110.7	R560 G561 F598 V602 I666	R560-F664 PolarHBondContact O-N 3.26Å; G561-F664 WeakPolarHBondContact O-CB 3.49Å; G561-F664 PolarHBondContact O-N 3.23Å; F598-F664 HydrophobicContact CE1-CD1 4.25Å; F598-F664 AromaticContact CE1-CE1 3.54Å; F598-F664 HydrophobicContact CE1-CE1 3.54Å; F598-F664 HydrophobicContact CE1-CZ 4.29Å; F598-F664 HydrophobicContact CZ-CD1 4.41Å; F598-F664 AromaticContact CZ-CE1 3.64Å; F598-F664 HydrophobicContact CZ-CE1 3.64Å; V602-F664 HydrophobicContact CG1-CE2 4.36Å; V602-F664 HydrophobicContact CG1-CZ 4.08Å; V602-F664 HydrophobicContact CG2-CE1 4.3Å; V602-F664 HydrophobicContact CG2-CZ 3.78Å; F664-I666 HydrophobicContact CE1-CD1 3.83Å; F664-I666 HydrophobicContact CE1-CG1 3.69Å; F664-I666 HydrophobicContact CZ-CD1 3.88Å; F664-I666 HydrophobicContact CZ-CG1 3.87Å
665	T	89.3	Confident	94.8	Very high	34 Å²	34	22.1 Å²	22.1	21%	0.209	12%	0.119	C	C	.	.			trans	-145.4	139.2	-176.2	53.8	0	0	0	0	109.7	Y632	Y632-T665 PolarHBondContact OH-OG1 3.34Å
666	I	92	Very high	94.9	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	13%	0.125	C	C	.	.			trans	-122.9	114.3	168.7	-62.2	178	0	0	0	108.3	I14 F116 V124 F598 V602 L607 F664 T670	I14-I666 VanDerWaalsContact CD1-O 3.27Å; I14-I666 WeakPolarHBondContact CD1-O 3.48Å; I14-I666 VanDerWaalsContact CG1-O 3.24Å; I14-I666 WeakPolarHBondContact CG1-O 3.49Å; F116-I666 HydrophobicContact CE1-CG2 4.39Å; F116-I666 HydrophobicContact CE2-CG2 4.19Å; F116-I666 HydrophobicContact CZ-CG2 3.63Å; V124-I666 HydrophobicContact CG1-CB 4.48Å; V124-I666 HydrophobicContact CG1-CG2 3.88Å; V124-I666 HydrophobicContact CG2-CD1 4.06Å; V124-I666 HydrophobicContact CG2-CG2 4.46Å; F598-I666 HydrophobicContact CE1-CD1 4.46Å; F598-I666 HydrophobicContact CE2-CD1 4.04Å; F598-I666 HydrophobicContact CZ-CD1 3.65Å; F598-I666 HydrophobicContact CZ-CG1 4.37Å; V602-I666 HydrophobicContact CG2-CD1 3.87Å; L607-I666 HydrophobicContact CD1-CD1 4.15Å; F664-I666 HydrophobicContact CE1-CD1 3.83Å; F664-I666 HydrophobicContact CE1-CG1 3.69Å; F664-I666 HydrophobicContact CZ-CD1 3.88Å; F664-I666 HydrophobicContact CZ-CG1 3.87Å; I666-T670 HydrophobicContact CG2-CG2 4.23Å
667	D	92.5	Very high	95.1	Very high	34 Å²	34	25.1 Å²	25.1	18%	0.182	13%	0.131	C	C	.	.	S	Bend	trans	-146.2	-169.6	-173.4	66.1	-0.6	0	0	0	111.4	I14 L121 L669 T670 Y671	I14-D667 HydrophobicContact CG1-CB 4.4Å; L121-D667 WeakPolarHBondContact CD1-O 3.46Å; D667-L669 PolarHBondContact O-N 3.22Å; D667-L669 WeakPolarHBondContact OD1-CA 3.45Å; D667-L669 VanDerWaalsContact OD1-CB 3.26Å; D667-L669 WeakPolarHBondContact OD1-CB 3.38Å; D667-L669 PolarHBondContact OD1-N 2.84Å; D667-T670 PolarHBondContact N-OG1 3.23Å; D667-T670 VanDerWaalsContact N-OG1 3.15Å; D667-T670 WeakPolarHBondContact O-CA 3.49Å; D667-T670 WeakPolarHBondContact O-CB 3.37Å; D667-T670 PolarHBondContact O-N 3.08Å; D667-T670 PolarHBondContact OD1-N 3.47Å; D667-T670 PolarHBondContact OD1-OG1 3.47Å; D667-Y671 PolarHBondContact O-N 3.38Å; D667-Y671 VanDerWaalsContact O-N 3.1Å
668	W	96.5	Very high	95.4	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-28.4	177.3	178	80.7	0	0	0	113.3	L121 L648 T670 Y671 I672 Y733 I758 Y856 M859 T860 L863	L121-W668 HydrophobicContact CD2-CB 4.34Å; L648-W668 HydrophobicContact CD2-CH2 3.99Å; L648-W668 HydrophobicContact CD2-CZ3 3.83Å; W668-T670 VanDerWaalsContact C-N 3.29Å; W668-T670 PolarHBondContact O-N 3.36Å; W668-Y671 PolarHBondContact O-N 3.17Å; W668-I672 HydrophobicContact CZ2-CD1 4.26Å; W668-I672 PolarHBondContact O-N 2.94Å; W668-Y733 HydrophobicContact CE3-CD1 4.2Å; W668-Y733 HydrophobicContact CE3-CE1 4.04Å; W668-Y733 AromaticContact CZ3-CD1 3.6Å; W668-Y733 HydrophobicContact CZ3-CD1 3.6Å; W668-Y733 AromaticContact CZ3-CE1 3.9Å; W668-Y733 HydrophobicContact CZ3-CE1 3.9Å; W668-Y733 HydrophobicContact CZ3-CG 4.07Å; W668-I758 HydrophobicContact CH2-CD1 4.32Å; W668-Y856 HydrophobicContact CB-CD1 3.75Å; W668-Y856 HydrophobicContact CB-CD2 4.44Å; W668-Y856 HydrophobicContact CB-CE1 3.6Å; W668-Y856 HydrophobicContact CB-CE2 4.3Å; W668-Y856 HydrophobicContact CB-CG 4.17Å; W668-Y856 AromaticContact CD1-CD1 3.57Å; W668-Y856 AromaticContact CD1-CG 3.63Å; W668-Y856 HydrophobicContact CD2-CD1 4.3Å; W668-Y856 AromaticContact CG-CD1 3.58Å; W668-Y856 HydrophobicContact CG-CD1 3.58Å; W668-Y856 AromaticContact CG-CE1 3.9Å; W668-Y856 HydrophobicContact CG-CE1 3.9Å; W668-Y856 HydrophobicContact CG-CG 4.04Å; W668-Y856 PolarHBondContact NE1-O 2.76Å; W668-M859 HydrophobicContact CD2-CE 4.01Å; W668-M859 HydrophobicContact CE3-CE 3.74Å; W668-M859 HydrophobicContact CH2-CB 4.2Å; W668-M859 HydrophobicContact CH2-CE 3.55Å; W668-M859 HydrophobicContact CZ2-CB 3.7Å; W668-M859 HydrophobicContact CZ2-CE 3.87Å; W668-M859 HydrophobicContact CZ3-CE 3.51Å; W668-T860 PolarHBondContact NE1-OG1 3.3Å; W668-L863 HydrophobicContact CH2-CD1 3.45Å; W668-L863 VanDerWaalsContact CH2-CD1 3.45Å; W668-L863 HydrophobicContact CZ2-CD1 3.97Å
669	L	97.9	Very high	95.6	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-66.4	-36.3	173.7	-54.7	179.1	0	0	0	111	L648 Y650 D667 I672 S673 V680 Y733	L648-L669 HydrophobicContact CD2-CD2 4.29Å; Y650-L669 HydrophobicContact CD1-CD1 3.98Å; Y650-L669 HydrophobicContact CD2-CD1 4.35Å; Y650-L669 HydrophobicContact CE1-CD1 4.5Å; Y650-L669 HydrophobicContact CG-CD1 3.83Å; Y650-L669 HydrophobicContact CG-CD2 4.45Å; D667-L669 PolarHBondContact O-N 3.22Å; D667-L669 WeakPolarHBondContact OD1-CA 3.45Å; D667-L669 VanDerWaalsContact OD1-CB 3.26Å; D667-L669 WeakPolarHBondContact OD1-CB 3.38Å; D667-L669 PolarHBondContact OD1-N 2.84Å; L669-I672 WeakPolarHBondContact O-CG2 3.24Å; L669-S673 WeakPolarHBondContact O-CB 3.47Å; L669-S673 PolarHBondContact O-N 2.91Å; L669-S673 VanDerWaalsContact O-N 3.11Å; L669-V680 HydrophobicContact CB-CG1 4.2Å; L669-V680 HydrophobicContact CB-CG2 4.42Å; L669-V680 HydrophobicContact CD1-CG1 4.28Å; L669-V680 HydrophobicContact CD2-CG1 4.05Å; L669-V680 HydrophobicContact CG-CG1 4.41Å; L669-Y733 HydrophobicContact CD2-CD1 3.99Å; L669-Y733 HydrophobicContact CD2-CE1 4.17Å
670	T	97.1	Very high	95.8	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.018	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-45.6	173.1	-49.6	0	0	0	0	110.6	F116 L607 P608 I666 D667 W668 S673 A674	F116-T670 HydrophobicContact CE1-CG2 4.33Å; L607-T670 HydrophobicContact CD2-CG2 4.01Å; P608-T670 VanDerWaalsContact CD-CG2 3.46Å; P608-T670 HydrophobicContact CG-CG2 3.78Å; I666-T670 HydrophobicContact CG2-CG2 4.23Å; D667-T670 PolarHBondContact N-OG1 3.23Å; D667-T670 VanDerWaalsContact N-OG1 3.15Å; D667-T670 WeakPolarHBondContact O-CA 3.49Å; D667-T670 WeakPolarHBondContact O-CB 3.37Å; D667-T670 PolarHBondContact O-N 3.08Å; D667-T670 PolarHBondContact OD1-N 3.47Å; D667-T670 PolarHBondContact OD1-OG1 3.47Å; W668-T670 VanDerWaalsContact C-N 3.29Å; W668-T670 PolarHBondContact O-N 3.36Å; T670-S673 PolarHBondContact O-N 2.82Å; T670-A674 WeakPolarHBondContact O-CB 3.1Å; T670-A674 PolarHBondContact O-N 2.84Å
671	Y	97.6	Very high	95.8	Very high	32 Å²	32	18.1 Å²	18.1	13%	0.125	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-49.1	178	170.6	-104.8	0	0	0	113.5	F116 F118 L121 D667 W668 S673 T675 T860	F116-Y671 HydrophobicContact CD1-CD2 4.31Å; F116-Y671 HydrophobicContact CE1-CD2 4.44Å; F118-Y671 HydrophobicContact CB-CE2 3.82Å; F118-Y671 HydrophobicContact CD2-CD1 4.36Å; F118-Y671 AromaticContact CD2-CE1 3.84Å; F118-Y671 HydrophobicContact CD2-CE1 3.84Å; F118-Y671 HydrophobicContact CD2-CE2 4.25Å; F118-Y671 AromaticContact CD2-CZ 3.79Å; L121-Y671 HydrophobicContact CD2-CD1 4.27Å; L121-Y671 HydrophobicContact CD2-CG 4.05Å; D667-Y671 PolarHBondContact O-N 3.38Å; D667-Y671 VanDerWaalsContact O-N 3.1Å; W668-Y671 PolarHBondContact O-N 3.17Å; Y671-S673 PolarHBondContact O-N 2.99Å; Y671-T675 VanDerWaalsContact CD2-OG1 3.24Å; Y671-T675 WeakPolarHBondContact CD2-OG1 2.93Å; Y671-T675 HydrophobicContact CE2-CG2 3.87Å; Y671-T675 VanDerWaalsContact CE2-OG1 3.31Å; Y671-T675 WeakPolarHBondContact CE2-OG1 3.42Å; Y671-T675 VanDerWaalsContact O-CB 3.26Å; Y671-T675 WeakPolarHBondContact O-CB 3.31Å; Y671-T675 PolarHBondContact O-N 2.79Å; Y671-T675 PolarHBondContact O-OG1 2.59Å; Y671-T860 HydrophobicContact CE1-CG2 4.14Å
672	I	97.8	Very high	96	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.3	-31.1	-178.9	-157.4	74.9	0	0	0	111.1	L648 W668 L669 A676 K677 V678 V680 T860	L648-I672 HydrophobicContact CD2-CG2 3.97Å; W668-I672 HydrophobicContact CZ2-CD1 4.26Å; W668-I672 PolarHBondContact O-N 2.94Å; L669-I672 WeakPolarHBondContact O-CG2 3.24Å; I672-A676 HydrophobicContact CD1-CB 3.58Å; I672-A676 HydrophobicContact CG1-CB 3.97Å; I672-A676 CarbonylContact O-C 3.54Å; I672-A676 WeakPolarHBondContact O-CA 3.48Å; I672-A676 VanDerWaalsContact O-CB 3.28Å; I672-A676 WeakPolarHBondContact O-CB 3.25Å; I672-A676 PolarHBondContact O-N 3.02Å; I672-K677 PolarHBondContact O-N 2.94Å; I672-V678 HydrophobicContact CG1-CB 4.25Å; I672-V678 HydrophobicContact CG1-CG2 4.1Å; I672-V678 PolarHBondContact O-N 3.15Å; I672-V680 HydrophobicContact CG2-CG2 3.63Å; I672-T860 HydrophobicContact CD1-CG2 3.85Å
673	S	98.4	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-73.6	-51.6	177	-167.2	0	0	0	0	113	Y632 L669 T670 Y671 K677 V678	Y632-S673 PolarHBondContact O-OG 2.84Å; Y632-S673 VanDerWaalsContact O-OG 3.1Å; L669-S673 WeakPolarHBondContact O-CB 3.47Å; L669-S673 PolarHBondContact O-N 2.91Å; L669-S673 VanDerWaalsContact O-N 3.11Å; T670-S673 PolarHBondContact O-N 2.82Å; Y671-S673 PolarHBondContact O-N 2.99Å; S673-K677 WeakPolarHBondContact O-CA 3.09Å; S673-K677 PolarHBondContact O-N 3.35Å; S673-V678 WeakPolarHBondContact CA-O 3.36Å; S673-V678 VanDerWaalsContact CB-O 3.32Å; S673-V678 WeakPolarHBondContact CB-O 3.26Å; S673-V678 PolarHBondContact OG-O 3.23Å
674	A	97.4	Very high	96.4	Very high	10 Å²	10	16.9 Å²	16.9	8%	0.083	9%	0.089	C	C	.	.	H	α-helix	trans	-66.7	-47.2	-179	0	0	0	0	0	112.9	F116 A606 T670	F116-A674 HydrophobicContact CB-CB 4.19Å; F116-A674 HydrophobicContact CD1-CB 4.42Å; A606-A674 WeakPolarHBondContact O-CB 3.5Å; T670-A674 WeakPolarHBondContact O-CB 3.1Å; T670-A674 PolarHBondContact O-N 2.84Å
675	T	96.6	Very high	96.7	Very high	57 Å²	57	14.8 Å²	14.8	35%	0.35	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-46.7	-166.8	-39.7	0	0	0	0	112.2	F116 Y671 K677	F116-T675 PolarHBondContact O-OG1 3.36Å; Y671-T675 VanDerWaalsContact CD2-OG1 3.24Å; Y671-T675 WeakPolarHBondContact CD2-OG1 2.93Å; Y671-T675 HydrophobicContact CE2-CG2 3.87Å; Y671-T675 VanDerWaalsContact CE2-OG1 3.31Å; Y671-T675 WeakPolarHBondContact CE2-OG1 3.42Å; Y671-T675 VanDerWaalsContact O-CB 3.26Å; Y671-T675 WeakPolarHBondContact O-CB 3.31Å; Y671-T675 PolarHBondContact O-N 2.79Å; Y671-T675 PolarHBondContact O-OG1 2.59Å; T675-K677 VanDerWaalsContact C-N 3.29Å
676	A	95.7	Very high	97.1	Very high	24 Å²	24	15.5 Å²	15.5	20%	0.198	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.5	-178.7	0	0	0	0	0	112.8	I672 V678 L864	I672-A676 HydrophobicContact CD1-CB 3.58Å; I672-A676 HydrophobicContact CG1-CB 3.97Å; I672-A676 CarbonylContact O-C 3.54Å; I672-A676 WeakPolarHBondContact O-CA 3.48Å; I672-A676 VanDerWaalsContact O-CB 3.28Å; I672-A676 WeakPolarHBondContact O-CB 3.25Å; I672-A676 PolarHBondContact O-N 3.02Å; A676-V678 VanDerWaalsContact C-N 3.34Å; A676-V678 HydrophobicContact CB-CG2 4.19Å; A676-V678 PolarHBondContact O-N 2.63Å; A676-L864 HydrophobicContact CB-CD2 3.99Å
677	K	96.5	Very high	97.3	Very high	92 Å²	92	15.3 Å²	15.3	40%	0.4	8%	0.078	S	C	.	.			trans	57.6	45.7	175.6	-52.1	178.2	-176.9	-163.1	0	112	P634 E636 Y645 I672 S673 T675	P634-K677 HydrophobicContact CG-CB 4.43Å; E636-K677 WeakPolarHBondContact OE1-CD 3.49Å; E636-K677 WeakPolarHBondContact OE1-CE 3.34Å; E636-K677 IonicContact OE1-NZ 2.61Å; E636-K677 PolarHBondContact OE1-NZ 3.48Å; E636-K677 IonicContact OE2-NZ 3.76Å; Y645-K677 HydrophobicContact CD1-CB 4.19Å; Y645-K677 WeakPolarHBondContact CD1-O 3.45Å; Y645-K677 HydrophobicContact CE1-CB 4.31Å; I672-K677 PolarHBondContact O-N 2.94Å; S673-K677 WeakPolarHBondContact O-CA 3.09Å; S673-K677 PolarHBondContact O-N 3.35Å; T675-K677 VanDerWaalsContact C-N 3.29Å
678	V	98.3	Very high	97.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.			trans	-107	133.3	178.4	179.2	0	0	0	0	109.4	P646 L648 I672 S673 A676 V680 Y867	P646-V678 HydrophobicContact CB-CG1 4.27Å; P646-V678 HydrophobicContact CB-CG2 4.24Å; P646-V678 HydrophobicContact CG-CG2 4.44Å; L648-V678 HydrophobicContact CB-CG1 3.69Å; I672-V678 HydrophobicContact CG1-CB 4.25Å; I672-V678 HydrophobicContact CG1-CG2 4.1Å; I672-V678 PolarHBondContact O-N 3.15Å; S673-V678 WeakPolarHBondContact CA-O 3.36Å; S673-V678 VanDerWaalsContact CB-O 3.32Å; S673-V678 WeakPolarHBondContact CB-O 3.26Å; S673-V678 PolarHBondContact OG-O 3.23Å; A676-V678 VanDerWaalsContact C-N 3.34Å; A676-V678 HydrophobicContact CB-CG2 4.19Å; A676-V678 PolarHBondContact O-N 2.63Å; V678-V680 PolarHBondContact O-N 3.33Å; V678-Y867 HydrophobicContact CG1-CE2 4.14Å; V678-Y867 HydrophobicContact CG2-CD2 4.36Å; V678-Y867 HydrophobicContact CG2-CE2 3.97Å
679	I	98.6	Very high	97.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.4	169	-65.2	164.5	0	0	0	107.4	Y632 L633 L637 Y645 P646 L647 L648 Y724 I725	Y632-I679 WeakPolarHBondContact O-CA 3.45Å; L633-I679 HydrophobicContact CD2-CG1 4.18Å; L633-I679 HydrophobicContact CD2-CG2 3.98Å; L637-I679 HydrophobicContact CD1-CD1 3.76Å; L637-I679 HydrophobicContact CD1-CG1 3.9Å; Y645-I679 HydrophobicContact CG-CD1 4.48Å; P646-I679 PolarHBondContact O-N 2.98Å; L647-I679 CarbonylContact C-O 3.57Å; L647-I679 WeakPolarHBondContact CA-O 3.41Å; L647-I679 HydrophobicContact CD1-CB 4.26Å; L647-I679 HydrophobicContact CD1-CG2 3.85Å; L648-I679 PolarHBondContact N-O 2.85Å; I679-Y724 HydrophobicContact CD1-CD2 3.56Å; I679-Y724 HydrophobicContact CD1-CE2 3.74Å; I679-I725 HydrophobicContact CD1-CG1 3.81Å
680	V	98.7	Very high	97	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.4	172.1	-175.7	0	0	0	0	109	L631 Y632 L648 L669 I672 V678	L631-V680 CarbonylContact C-O 3.52Å; L631-V680 VanDerWaalsContact CA-O 3.26Å; L631-V680 WeakPolarHBondContact CA-O 3.37Å; Y632-V680 HydrophobicContact CD2-CB 3.98Å; Y632-V680 HydrophobicContact CD2-CG1 4.23Å; Y632-V680 HydrophobicContact CG-CB 4.18Å; Y632-V680 PolarHBondContact N-O 3.13Å; Y632-V680 PolarHBondContact O-N 3.39Å; L648-V680 HydrophobicContact CB-CG2 4.38Å; L648-V680 HydrophobicContact CD2-CG2 4.35Å; L648-V680 CarbonylContact O-C 3.55Å; L648-V680 VanDerWaalsContact O-CA 3.31Å; L648-V680 WeakPolarHBondContact O-CA 3.43Å; L669-V680 HydrophobicContact CB-CG1 4.2Å; L669-V680 HydrophobicContact CB-CG2 4.42Å; L669-V680 HydrophobicContact CD1-CG1 4.28Å; L669-V680 HydrophobicContact CD2-CG1 4.05Å; L669-V680 HydrophobicContact CG-CG1 4.41Å; I672-V680 HydrophobicContact CG2-CG2 3.63Å; V678-V680 PolarHBondContact O-N 3.33Å
681	A	98.7	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.4	172.1	0	0	0	0	0	110.8	K630 L631 L647 L648 L649 Y650 L718	K630-A681 WeakPolarHBondContact O-CA 3.37Å; L631-A681 HydrophobicContact CD2-CB 3.57Å; L647-A681 HydrophobicContact CD1-CB 3.87Å; L648-A681 PolarHBondContact O-N 3.44Å; L649-A681 WeakPolarHBondContact CA-O 3.35Å; L649-A681 HydrophobicContact CD1-CB 4.37Å; Y650-A681 PolarHBondContact N-O 3.15Å; A681-L718 HydrophobicContact CB-CD1 3.6Å
682	Q	98.5	Very high	96.7	Very high	12 Å²	12	14.4 Å²	14.4	6%	0.056	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.1	167.1	-50.5	-176	-65.6	0	0	107.7	A629 K630 Y632 Y650 V659 V660	A629-Q682 CarbonylContact C-O 3.44Å; A629-Q682 WeakPolarHBondContact CA-O 3.45Å; K630-Q682 HydrophobicContact CB-CB 4.35Å; K630-Q682 PolarHBondContact N-O 3.22Å; K630-Q682 PolarHBondContact O-N 2.83Å; Y632-Q682 HydrophobicContact CE2-CG 4.2Å; Y632-Q682 PolarHBondContact OH-OE1 3.19Å; Y650-Q682 HydrophobicContact CD1-CB 4.49Å; Y650-Q682 HydrophobicContact CD1-CG 3.83Å; Y650-Q682 HydrophobicContact CG-CG 4.48Å; V659-Q682 HydrophobicContact CB-CB 4.43Å; V659-Q682 HydrophobicContact CG2-CB 3.94Å; V659-Q682 PolarHBondContact O-OE1 2.97Å; V660-Q682 HydrophobicContact CG2-CB 4.12Å; V660-Q682 WeakPolarHBondContact CG2-O 3.35Å
683	V	98.4	Very high	96.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	127.9	-178.2	-177.4	0	0	0	0	110.7	V627 E628 A629 L649 Q711 S714	V627-V683 HydrophobicContact CB-CG1 4.05Å; V627-V683 HydrophobicContact CG2-CG1 3.68Å; E628-V683 WeakPolarHBondContact O-CA 3.45Å; A629-V683 HydrophobicContact CB-CG2 4.1Å; L649-V683 HydrophobicContact CD1-CG2 4.27Å; V683-Q711 PolarHBondContact O-NE2 3.29Å; V683-S714 WeakPolarHBondContact CG1-OG 3.39Å
684	D	98	Very high	96.2	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.011	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	93.7	172	-80.5	-7.9	0	0	0	109.4	V627 E628 Q658 V659 V660 T688 Y695	V627-D684 WeakPolarHBondContact CB-O 3.43Å; E628-D684 PolarHBondContact O-N 3.16Å; Q658-D684 WeakPolarHBondContact CB-OD2 3.4Å; V659-D684 WeakPolarHBondContact CG2-OD1 3.22Å; V659-D684 PolarHBondContact N-OD1 3.02Å; V659-D684 PolarHBondContact N-OD2 3.49Å; V660-D684 HydrophobicContact CB-CB 4.16Å; V660-D684 WeakPolarHBondContact CB-OD2 3.23Å; V660-D684 HydrophobicContact CG2-CB 4.14Å; V660-D684 PolarHBondContact N-OD1 3.1Å; V660-D684 PolarHBondContact N-OD2 2.83Å; D684-T688 HydrophobicContact CB-CG2 3.94Å; D684-Y695 PolarHBondContact O-OH 2.87Å
685	G	97.1	Very high	96.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	10%	0.103	C	C	.	.			trans	-82.8	-175.5	173.4	0	0	0	0	0	112.9	G687 T688 Y695	G685-G687 PolarHBondContact O-N 3.02Å; G685-T688 WeakPolarHBondContact O-CG2 3.39Å; G685-T688 PolarHBondContact O-N 3.22Å; G685-T688 PolarHBondContact O-OG1 2.65Å; G685-T688 VanDerWaalsContact O-OG1 3.06Å; G685-Y695 WeakPolarHBondContact O-CE1 3.34Å; G685-Y695 PolarHBondContact O-OH 3.31Å
686	R	97.5	Very high	96	Very high	48 Å²	48	17.9 Å²	17.9	18%	0.181	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	138.8	172.5	-83.7	174.9	-65.2	164.5	11.4	111.1	I625 Y695 S698 I699 I706 E707 E709 D710	I625-R686 VanDerWaalsContact CD1-CD 3.49Å; I625-R686 HydrophobicContact CD1-CG 3.44Å; I625-R686 VanDerWaalsContact CD1-CG 3.44Å; R686-Y695 HydrophobicContact CG-CD2 4.47Å; R686-Y695 HydrophobicContact CG-CE2 4.05Å; R686-Y695 PolarHBondContact N-OH 2.91Å; R686-S698 VanDerWaalsContact CB-OG 3.24Å; R686-S698 WeakPolarHBondContact CB-OG 3.29Å; R686-I699 WeakPolarHBondContact O-CG2 3.46Å; R686-I706 HydrophobicContact CB-CG2 3.69Å; R686-I706 HydrophobicContact CG-CG2 4.41Å; R686-E707 WeakPolarHBondContact O-CB 3.49Å; R686-E709 IonicContact NH2-OE2 2.58Å; R686-D710 VanDerWaalsContact CB-OD2 3.22Å; R686-D710 WeakPolarHBondContact CB-OD2 3.32Å; R686-D710 WeakPolarHBondContact CG-OD2 3.32Å; R686-D710 IonicContact CZ-OD1 3.28Å; R686-D710 IonicContact CZ-OD2 3.92Å; R686-D710 PolarHBondContact N-OD2 3.21Å; R686-D710 IonicContact NE-OD1 2.87Å; R686-D710 PolarHBondContact NE-OD1 2.82Å; R686-D710 IonicContact NE-OD2 3.03Å; R686-D710 PolarHBondContact NE-OD2 3.04Å; R686-D710 IonicContact NH2-OD1 2.81Å; R686-D710 PolarHBondContact NH2-OD1 3.2Å; R686-D710 IonicContact NH2-OD2 3.96Å
687	G	95.9	Very high	96	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.2	-28.3	-173	0	0	0	0	0	114.4	T656 G685 Y695 E696	T656-G687 PolarHBondContact N-O 3.14Å; G685-G687 PolarHBondContact O-N 3.02Å; G687-Y695 PolarHBondContact N-O 3.4Å; G687-E696 CarbonylContact C-O 3.52Å; G687-E696 VanDerWaalsContact CA-O 3.23Å; G687-E696 WeakPolarHBondContact CA-O 3.39Å
688	T	95.5	Very high	95.9	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.012	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-79.5	156.4	-177.1	66.2	0	0	0	0	112.5	F657 D684 G685	F657-T688 WeakPolarHBondContact O-CB 3.37Å; F657-T688 WeakPolarHBondContact O-CG2 3.33Å; D684-T688 HydrophobicContact CB-CG2 3.94Å; G685-T688 WeakPolarHBondContact O-CG2 3.39Å; G685-T688 PolarHBondContact O-N 3.22Å; G685-T688 PolarHBondContact O-OG1 2.65Å; G685-T688 VanDerWaalsContact O-OG1 3.06Å
689	G	92.5	Very high	95.8	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.031	8%	0.075	C	C	.	.	S	Bend	trans	-76.9	-178.2	179.1	0	0	0	0	0	114.8	T656 Q658 R691	T656-G689 WeakPolarHBondContact O-CA 3.36Å; T656-G689 PolarHBondContact O-N 2.89Å; T656-G689 VanDerWaalsContact O-N 3.09Å; Q658-G689 WeakPolarHBondContact CG-O 3.25Å; Q658-G689 PolarHBondContact NE2-O 3.05Å; G689-R691 VanDerWaalsContact C-N 3.32Å; G689-R691 PolarHBondContact O-N 3.16Å
690	G	92.2	Very high	95.7	Very high	8 Å²	8	16.2 Å²	16.2	8%	0.082	8%	0.08	C	C	.	.	S	Bend	trans	77.8	8.5	172.2	0	0	0	0	0	115.6	D494 S516	D494-G690 VanDerWaalsContact OD2-CA 3.25Å; D494-G690 WeakPolarHBondContact OD2-CA 3.44Å; D494-G690 PolarHBondContact OD2-N 3.07Å; S516-G690 WeakPolarHBondContact CB-O 3.47Å
691	R	94.1	Very high	95.5	Very high	44 Å²	44	19.1 Å²	19.1	17%	0.166	9%	0.092	C	C	.	.	S	Bend	trans	-132.6	21.1	-175.3	-59.9	-174.1	70.5	-174.6	1.6	112.9	D494 D626 G689 Y695	D494-R691 PolarHBondContact OD2-N 2.65Å; D626-R691 VanDerWaalsContact O-CZ 3.29Å; D626-R691 PolarHBondContact O-NH1 2.87Å; D626-R691 PolarHBondContact O-NH2 3.47Å; G689-R691 VanDerWaalsContact C-N 3.32Å; G689-R691 PolarHBondContact O-N 3.16Å; R691-Y695 HydrophobicContact CB-CD1 3.81Å; R691-Y695 HydrophobicContact CB-CE1 4.48Å; R691-Y695 HydrophobicContact CB-CG 3.83Å; R691-Y695 HydrophobicContact CG-CD1 4.41Å; R691-Y695 PolarHBondContact NH1-OH 2.81Å; R691-Y695 WeakPolarHBondContact O-CB 3.17Å
692	G	93.6	Very high	95.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.			trans	82.2	156.3	-176.6	0	0	0	0	0	113.2	K464 D494 L694 Y695 E696	K464-G692 CarbonylContact O-C 3.58Å; K464-G692 VanDerWaalsContact O-C 3.31Å; K464-G692 WeakPolarHBondContact O-CA 3.38Å; D494-G692 PolarHBondContact OD2-N 3.07Å; G692-L694 VanDerWaalsContact C-N 3.29Å; G692-L694 PolarHBondContact O-N 2.88Å; G692-Y695 PolarHBondContact O-N 2.83Å; G692-E696 PolarHBondContact O-N 2.76Å
693	R	93.1	Very high	95.2	Very high	13 Å²	13	21.2 Å²	21.2	5%	0.049	10%	0.104	C	C	.	.	H	α-helix	trans	-52.3	-42.4	-176.3	178.1	-169.3	154.8	72.9	14.5	113	Y429 T431 W433 P458 D460 K464 G465 Y695 E696 Q697	Y429-R693 VanDerWaalsContact CD1-CZ 3.47Å; Y429-R693 VanDerWaalsContact CD2-NH2 3.3Å; Y429-R693 VanDerWaalsContact CE1-CZ 3.47Å; Y429-R693 VanDerWaalsContact CE2-CZ 3.4Å; Y429-R693 VanDerWaalsContact CG-CZ 3.41Å; Y429-R693 VanDerWaalsContact CZ-CZ 3.42Å; Y429-R693 VanDerWaalsContact CZ-NH1 3.33Å; T431-R693 PolarHBondContact O-NH2 2.72Å; W433-R693 PolarHBondContact O-NH1 3.12Å; P458-R693 HydrophobicContact CB-CB 4.15Å; D460-R693 VanDerWaalsContact OD1-CD 3.3Å; D460-R693 WeakPolarHBondContact OD1-CD 3.42Å; D460-R693 IonicContact OD1-NE 3.69Å; K464-R693 PolarHBondContact O-N 3.03Å; G465-R693 WeakPolarHBondContact O-CB 3.41Å; G465-R693 PolarHBondContact O-N 3.03Å; R693-Y695 VanDerWaalsContact C-N 3.33Å; R693-Y695 PolarHBondContact O-N 3.48Å; R693-E696 PolarHBondContact O-N 2.81Å; R693-Q697 HydrophobicContact CG-CG 4.12Å; R693-Q697 WeakPolarHBondContact O-CB 3.29Å; R693-Q697 VanDerWaalsContact O-CG 3.26Å; R693-Q697 WeakPolarHBondContact O-CG 3.34Å; R693-Q697 PolarHBondContact O-N 3.21Å
694	L	93.8	Very high	95.1	Very high	100 Å²	100	21.2 Å²	21.2	52%	0.524	10%	0.104	S	C	.	.	H	α-helix	trans	-69.5	-31.7	-174.1	-64.2	177.7	0	0	0	112.7	E463 K464 G692 S698	E463-L694 WeakPolarHBondContact O-CD1 3.25Å; K464-L694 PolarHBondContact O-N 3.5Å; K464-L694 VanDerWaalsContact O-N 3.17Å; G692-L694 VanDerWaalsContact C-N 3.29Å; G692-L694 PolarHBondContact O-N 2.88Å; L694-S698 PolarHBondContact O-N 2.86Å
695	Y	94.6	Very high	94.9	Very high	26 Å²	26	22.1 Å²	22.1	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-71.3	-46.7	174	-171	-86.9	0	0	0	110.8	I625 D684 G685 R686 G687 R691 G692 R693 Q697 S698	I625-Y695 HydrophobicContact CD1-CD2 4.41Å; I625-Y695 HydrophobicContact CD1-CE2 3.69Å; I625-Y695 HydrophobicContact CG1-CE2 4.24Å; D684-Y695 PolarHBondContact O-OH 2.87Å; G685-Y695 WeakPolarHBondContact O-CE1 3.34Å; G685-Y695 PolarHBondContact O-OH 3.31Å; R686-Y695 HydrophobicContact CG-CD2 4.47Å; R686-Y695 HydrophobicContact CG-CE2 4.05Å; R686-Y695 PolarHBondContact N-OH 2.91Å; G687-Y695 PolarHBondContact N-O 3.4Å; R691-Y695 HydrophobicContact CB-CD1 3.81Å; R691-Y695 HydrophobicContact CB-CE1 4.48Å; R691-Y695 HydrophobicContact CB-CG 3.83Å; R691-Y695 HydrophobicContact CG-CD1 4.41Å; R691-Y695 PolarHBondContact NH1-OH 2.81Å; R691-Y695 WeakPolarHBondContact O-CB 3.17Å; G692-Y695 PolarHBondContact O-N 2.83Å; R693-Y695 VanDerWaalsContact C-N 3.33Å; R693-Y695 PolarHBondContact O-N 3.48Å; Y695-Q697 PolarHBondContact O-N 3.01Å; Y695-S698 PolarHBondContact O-OG 3.41Å
696	E	94.5	Very high	94.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-41.7	-179.9	-170	-176	128.6	0	0	112.4	W433 R467 T656 G687 G692 R693 S698	W433-E696 HydrophobicContact CH2-CG 4.45Å; W433-E696 HydrophobicContact CZ2-CG 4.08Å; W433-E696 WeakPolarHBondContact CZ2-OE1 3.39Å; R467-E696 IonicContact CZ-OE2 3.33Å; R467-E696 VanDerWaalsContact CZ-OE2 3.28Å; R467-E696 IonicContact NH1-OE2 3.02Å; R467-E696 PolarHBondContact NH1-OE2 3.45Å; R467-E696 IonicContact NH2-OE1 3Å; R467-E696 PolarHBondContact NH2-OE1 3.21Å; R467-E696 IonicContact NH2-OE2 3.33Å; R467-E696 PolarHBondContact NH2-OE2 3.27Å; T656-E696 PolarHBondContact OG1-OE1 2.94Å; G687-E696 CarbonylContact C-O 3.52Å; G687-E696 VanDerWaalsContact CA-O 3.23Å; G687-E696 WeakPolarHBondContact CA-O 3.39Å; G692-E696 PolarHBondContact O-N 2.76Å; R693-E696 PolarHBondContact O-N 2.81Å; E696-S698 PolarHBondContact O-N 3.34Å
697	Q	95.2	Very high	94.8	Very high	15 Å²	15	21.1 Å²	21.1	7%	0.07	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-92.2	3.9	-173	-57	-162.5	-4.7	0	0	114.4	G432 W433 R693 Y695 I699 Y700	G432-Q697 VanDerWaalsContact CA-OE1 3.24Å; W433-Q697 HydrophobicContact CD2-CG 4.09Å; W433-Q697 HydrophobicContact CE3-CB 4.3Å; W433-Q697 HydrophobicContact CE3-CG 3.9Å; W433-Q697 HydrophobicContact CH2-CB 4.03Å; W433-Q697 HydrophobicContact CH2-CG 3.56Å; W433-Q697 HydrophobicContact CZ2-CG 3.71Å; W433-Q697 HydrophobicContact CZ3-CB 3.81Å; W433-Q697 HydrophobicContact CZ3-CG 3.64Å; W433-Q697 PolarHBondContact O-NE2 3.23Å; R693-Q697 HydrophobicContact CG-CG 4.12Å; R693-Q697 WeakPolarHBondContact O-CB 3.29Å; R693-Q697 VanDerWaalsContact O-CG 3.26Å; R693-Q697 WeakPolarHBondContact O-CG 3.34Å; R693-Q697 PolarHBondContact O-N 3.21Å; Y695-Q697 PolarHBondContact O-N 3.01Å; Q697-I699 PolarHBondContact O-N 3.17Å; Q697-I699 VanDerWaalsContact O-N 3.12Å; Q697-Y700 VanDerWaalsContact O-CB 3.25Å; Q697-Y700 WeakPolarHBondContact O-CB 3.2Å; Q697-Y700 PolarHBondContact O-N 3.25Å
698	S	95.1	Very high	94.8	Very high	38 Å²	38	21.1 Å²	21.1	27%	0.266	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-60.6	-21.6	179.2	58.1	0	0	0	0	113.9	R686 L694 Y695 E696 I706	R686-S698 VanDerWaalsContact CB-OG 3.24Å; R686-S698 WeakPolarHBondContact CB-OG 3.29Å; L694-S698 PolarHBondContact O-N 2.86Å; Y695-S698 PolarHBondContact O-OG 3.41Å; E696-S698 PolarHBondContact O-N 3.34Å; S698-I706 WeakPolarHBondContact O-CD1 3.41Å
699	I	95.8	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-89	1	177.4	66.6	173.3	0	0	0	114	P655 R686 Q697 K701 N702 L703 I706 E707	P655-I699 HydrophobicContact CB-CD1 3.99Å; P655-I699 HydrophobicContact CG-CD1 3.67Å; R686-I699 WeakPolarHBondContact O-CG2 3.46Å; Q697-I699 PolarHBondContact O-N 3.17Å; Q697-I699 VanDerWaalsContact O-N 3.12Å; I699-K701 PolarHBondContact O-N 2.84Å; I699-N702 CarbonylContact O-C 3.57Å; I699-N702 WeakPolarHBondContact O-CA 3.4Å; I699-N702 PolarHBondContact O-N 2.98Å; I699-L703 HydrophobicContact CB-CD2 4.24Å; I699-L703 HydrophobicContact CD1-CD2 3.7Å; I699-L703 HydrophobicContact CG1-CD2 3.94Å; I699-L703 PolarHBondContact O-N 3.25Å; I699-I706 HydrophobicContact CG2-CB 4.04Å; I699-I706 HydrophobicContact CG2-CG2 3.94Å; I699-E707 HydrophobicContact CG2-CB 4.31Å
700	Y	96.3	Very high	95.1	Very high	28 Å²	28	24.7 Å²	24.7	11%	0.11	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	129.5	179.8	179.9	-112.8	0	0	0	111.3	W433 Q697 N702 R776 Y777	W433-Y700 HydrophobicContact CE3-CD2 4.1Å; Q697-Y700 VanDerWaalsContact O-CB 3.25Å; Q697-Y700 WeakPolarHBondContact O-CB 3.2Å; Q697-Y700 PolarHBondContact O-N 3.25Å; Y700-N702 PolarHBondContact O-N 3.03Å; Y700-N702 VanDerWaalsContact O-N 3.09Å; Y700-N702 PolarHBondContact O-ND2 3.27Å; Y700-R776 WeakPolarHBondContact CE2-O 3.25Å; Y700-Y777 WeakPolarHBondContact CD2-O 3.45Å
701	K	95.7	Very high	95.4	Very high	60 Å²	60	24.4 Å²	24.4	26%	0.261	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	13.7	-173.1	-64.4	-172.9	164	-154.4	0	115.9	I699 Y777 D784 A787 R790	I699-K701 PolarHBondContact O-N 2.84Å; K701-Y777 WeakPolarHBondContact CA-O 3.39Å; K701-Y777 PolarHBondContact N-O 3.5Å; K701-D784 IonicContact NZ-OD2 2.69Å; K701-D784 PolarHBondContact NZ-OD2 3.06Å; K701-A787 HydrophobicContact CB-CB 4.45Å; K701-R790 PolarHBondContact O-NE 2.7Å; K701-R790 VanDerWaalsContact O-NE 3.16Å; K701-R790 PolarHBondContact O-NH2 2.69Å
702	N	95.1	Very high	95.6	Very high	55 Å²	55	22.7 Å²	22.7	29%	0.294	11%	0.114	S	C	.	.			trans	-137.6	31.9	-174.9	-68.5	-67	0	0	0	112.5	I699 Y700 V705 I706	I699-N702 CarbonylContact O-C 3.57Å; I699-N702 WeakPolarHBondContact O-CA 3.4Å; I699-N702 PolarHBondContact O-N 2.98Å; Y700-N702 PolarHBondContact O-N 3.03Å; Y700-N702 VanDerWaalsContact O-N 3.09Å; Y700-N702 PolarHBondContact O-ND2 3.27Å; N702-V705 WeakPolarHBondContact O-CB 3.28Å; N702-V705 PolarHBondContact O-N 2.69Å; N702-I706 HydrophobicContact CB-CD1 3.97Å; N702-I706 HydrophobicContact CB-CG1 4.4Å
703	L	96	Very high	95.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	142.5	171	-51.7	-175.9	0	0	0	110.1	P655 I699 V705 Y737 F766 L778 T791	P655-L703 HydrophobicContact CG-CD2 4.04Å; I699-L703 HydrophobicContact CB-CD2 4.24Å; I699-L703 HydrophobicContact CD1-CD2 3.7Å; I699-L703 HydrophobicContact CG1-CD2 3.94Å; I699-L703 PolarHBondContact O-N 3.25Å; L703-V705 VanDerWaalsContact C-N 3.34Å; L703-Y737 HydrophobicContact CD1-CE2 4.32Å; L703-F766 HydrophobicContact CD1-CE1 4.3Å; L703-F766 HydrophobicContact CD1-CE2 4.17Å; L703-F766 HydrophobicContact CD1-CZ 3.98Å; L703-L778 HydrophobicContact CB-CD2 4.27Å; L703-L778 HydrophobicContact CD1-CD1 4.3Å; L703-L778 HydrophobicContact CD1-CD2 3.89Å; L703-L778 HydrophobicContact CD1-CG 4.02Å; L703-L778 HydrophobicContact CG-CD2 3.82Å; L703-L778 HydrophobicContact CG-CG 4.48Å; L703-T791 HydrophobicContact CB-CG2 4.05Å
704	G	95	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	11.6	-176.6	0	0	0	0	0	114.1	E707 I708 F740 H744 R748	G704-E707 WeakPolarHBondContact CA-OE1 3.3Å; G704-E707 PolarHBondContact N-OE1 2.93Å; G704-I708 WeakPolarHBondContact O-CG1 3.29Å; G704-F740 VanDerWaalsContact CA-CZ 3.46Å; G704-H744 PolarHBondContact O-ND1 2.92Å; G704-R748 PolarHBondContact O-NH2 2.89Å
705	V	94.6	Very high	96.2	Very high	22 Å²	22	19.1 Å²	19.1	13%	0.133	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-73.7	-173.2	-172.2	0	0	0	0	111.4	N702 L703 E707 I708 E709	N702-V705 WeakPolarHBondContact O-CB 3.28Å; N702-V705 PolarHBondContact O-N 2.69Å; L703-V705 VanDerWaalsContact C-N 3.34Å; V705-E707 PolarHBondContact N-OE2 3.09Å; V705-I708 PolarHBondContact O-N 3.1Å; V705-E709 WeakPolarHBondContact O-CG 3.45Å; V705-E709 PolarHBondContact O-N 2.82Å
706	I	95.4	Very high	96.4	Very high	27 Å²	27	21 Å²	21	14%	0.138	11%	0.105	C	C	.	.	H	α-helix	trans	-72	-44.8	-165.1	-73.6	176	0	0	0	111.1	R686 S698 I699 N702 I708 E709 D710	R686-I706 HydrophobicContact CB-CG2 3.69Å; R686-I706 HydrophobicContact CG-CG2 4.41Å; S698-I706 WeakPolarHBondContact O-CD1 3.41Å; I699-I706 HydrophobicContact CG2-CB 4.04Å; I699-I706 HydrophobicContact CG2-CG2 3.94Å; N702-I706 HydrophobicContact CB-CD1 3.97Å; N702-I706 HydrophobicContact CB-CG1 4.4Å; I706-I708 VanDerWaalsContact C-N 3.33Å; I706-E709 PolarHBondContact O-N 3.02Å; I706-D710 PolarHBondContact O-N 3.11Å; I706-D710 VanDerWaalsContact O-N 3.15Å
707	E	96.5	Very high	96.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-69.1	-33.1	177	76.3	-66	167.8	0	0	111.4	R686 I699 G704 V705 D710 Q711 Y737	R686-E707 WeakPolarHBondContact O-CB 3.49Å; I699-E707 HydrophobicContact CG2-CB 4.31Å; G704-E707 WeakPolarHBondContact CA-OE1 3.3Å; G704-E707 PolarHBondContact N-OE1 2.93Å; V705-E707 PolarHBondContact N-OE2 3.09Å; E707-D710 PolarHBondContact O-N 2.91Å; E707-Q711 VanDerWaalsContact O-CG 3.27Å; E707-Q711 WeakPolarHBondContact O-CG 3.18Å; E707-Q711 PolarHBondContact O-N 2.77Å; E707-Y737 PolarHBondContact OE1-OH 2.95Å
708	I	96.9	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.6	-43.2	176	-50.8	-55.1	0	0	0	110.9	G704 V705 I706 D710 Q711 L712 T741 H744 L745 R748	G704-I708 WeakPolarHBondContact O-CG1 3.29Å; V705-I708 PolarHBondContact O-N 3.1Å; I706-I708 VanDerWaalsContact C-N 3.33Å; I708-D710 VanDerWaalsContact C-N 3.32Å; I708-D710 PolarHBondContact O-N 2.81Å; I708-Q711 PolarHBondContact O-N 3.46Å; I708-L712 PolarHBondContact O-N 2.71Å; I708-T741 HydrophobicContact CD1-CG2 3.69Å; I708-H744 HydrophobicContact CD1-CB 3.74Å; I708-H744 HydrophobicContact CG1-CB 3.87Å; I708-H744 HydrophobicContact CG2-CB 4.1Å; I708-L745 HydrophobicContact CG2-CD2 3.88Å; I708-L745 HydrophobicContact CG2-CG 4.34Å; I708-R748 HydrophobicContact CG2-CG 3.92Å
709	E	96.3	Very high	96.8	Very high	80 Å²	80	20.5 Å²	20.5	37%	0.374	10%	0.102	S	C	.	.	H	α-helix	trans	-58.5	-44.9	173.6	-73.1	169.9	-171.9	0	0	111.3	R686 V705 I706 Q711 L712 D713	R686-E709 IonicContact NH2-OE2 2.58Å; V705-E709 WeakPolarHBondContact O-CG 3.45Å; V705-E709 PolarHBondContact O-N 2.82Å; I706-E709 PolarHBondContact O-N 3.02Å; E709-Q711 VanDerWaalsContact C-N 3.34Å; E709-Q711 PolarHBondContact O-N 2.72Å; E709-L712 PolarHBondContact O-N 2.92Å; E709-D713 WeakPolarHBondContact O-CB 3.21Å; E709-D713 PolarHBondContact O-N 2.79Å
710	D	98	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-38.6	179.5	-71.6	-1.2	0	0	0	111.9	L617 R618 R686 I706 E707 I708 S714	L617-D710 HydrophobicContact CD1-CB 4.19Å; L617-D710 WeakPolarHBondContact CD1-O 3.35Å; R618-D710 IonicContact CZ-OD1 3.69Å; R618-D710 IonicContact NH1-OD1 2.72Å; R618-D710 PolarHBondContact NH1-OD1 2.59Å; R618-D710 IonicContact NH2-OD1 2.81Å; R618-D710 PolarHBondContact NH2-OD1 2.54Å; R686-D710 VanDerWaalsContact CB-OD2 3.22Å; R686-D710 WeakPolarHBondContact CB-OD2 3.32Å; R686-D710 WeakPolarHBondContact CG-OD2 3.32Å; R686-D710 IonicContact CZ-OD1 3.28Å; R686-D710 IonicContact CZ-OD2 3.92Å; R686-D710 PolarHBondContact N-OD2 3.21Å; R686-D710 IonicContact NE-OD1 2.87Å; R686-D710 PolarHBondContact NE-OD1 2.82Å; R686-D710 IonicContact NE-OD2 3.03Å; R686-D710 PolarHBondContact NE-OD2 3.04Å; R686-D710 IonicContact NH2-OD1 2.81Å; R686-D710 PolarHBondContact NH2-OD1 3.2Å; R686-D710 IonicContact NH2-OD2 3.96Å; I706-D710 PolarHBondContact O-N 3.11Å; I706-D710 VanDerWaalsContact O-N 3.15Å; E707-D710 PolarHBondContact O-N 2.91Å; I708-D710 VanDerWaalsContact C-N 3.32Å; I708-D710 PolarHBondContact O-N 2.81Å; D710-S714 VanDerWaalsContact O-CB 3.26Å; D710-S714 WeakPolarHBondContact O-CB 3.29Å; D710-S714 PolarHBondContact O-N 3.01Å; D710-S714 PolarHBondContact O-OG 2.91Å
711	Q	98.1	Very high	96.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-46.5	175.2	-68.8	-61.3	-26.8	0	0	112.2	L649 V683 E707 I708 E709 S714 V715 T741 L745	L649-Q711 HydrophobicContact CD2-CB 4.32Å; V683-Q711 PolarHBondContact O-NE2 3.29Å; E707-Q711 VanDerWaalsContact O-CG 3.27Å; E707-Q711 WeakPolarHBondContact O-CG 3.18Å; E707-Q711 PolarHBondContact O-N 2.77Å; I708-Q711 PolarHBondContact O-N 3.46Å; E709-Q711 VanDerWaalsContact C-N 3.34Å; E709-Q711 PolarHBondContact O-N 2.72Å; Q711-S714 WeakPolarHBondContact O-CB 3.39Å; Q711-S714 PolarHBondContact O-N 3Å; Q711-V715 PolarHBondContact O-N 2.84Å; Q711-T741 HydrophobicContact CG-CG2 4.33Å; Q711-L745 HydrophobicContact CB-CD1 4.39Å; Q711-L745 HydrophobicContact CB-CD2 3.77Å
712	L	97.7	Very high	96.8	Very high	9 Å²	9	33 Å²	33	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-45.3	177.8	-71.7	174.7	0	0	0	112.3	I708 E709 S714 V715 K716 L745 R748 E750 N751 I754	I708-L712 PolarHBondContact O-N 2.71Å; E709-L712 PolarHBondContact O-N 2.92Å; L712-S714 PolarHBondContact O-N 2.91Å; L712-V715 PolarHBondContact O-N 3.27Å; L712-K716 PolarHBondContact O-N 3.22Å; L712-K716 VanDerWaalsContact O-N 3.09Å; L712-L745 HydrophobicContact CD1-CD2 4.49Å; L712-L745 HydrophobicContact CD2-CD2 3.62Å; L712-L745 HydrophobicContact CG-CD2 3.59Å; L712-R748 HydrophobicContact CD1-CB 3.82Å; L712-R748 HydrophobicContact CD1-CG 4.2Å; L712-E750 HydrophobicContact CD1-CB 4.3Å; L712-N751 HydrophobicContact CD2-CB 3.93Å; L712-I754 HydrophobicContact CD2-CD1 4.08Å
713	D	97.8	Very high	96.9	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.203	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-30.9	176.6	-81.6	-29	0	0	0	111.6	L617 R618 E709 A717	L617-D713 HydrophobicContact CB-CB 4.27Å; L617-D713 HydrophobicContact CD1-CB 4.07Å; L617-D713 HydrophobicContact CD2-CB 4.25Å; L617-D713 HydrophobicContact CG-CB 4.43Å; R618-D713 WeakPolarHBondContact CD-OD2 2.85Å; R618-D713 WeakPolarHBondContact CG-OD2 3.41Å; R618-D713 IonicContact CZ-OD2 3.58Å; R618-D713 IonicContact NE-OD2 2.69Å; R618-D713 IonicContact NH1-OD2 3.01Å; R618-D713 PolarHBondContact NH1-OD2 2.79Å; E709-D713 WeakPolarHBondContact O-CB 3.21Å; E709-D713 PolarHBondContact O-N 2.79Å; D713-A717 WeakPolarHBondContact O-CB 3.5Å; D713-A717 PolarHBondContact O-N 2.56Å
714	S	98.2	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.6	-42.9	175.6	-61.6	0	0	0	0	112.4	L617 V683 D710 Q711 L712 K716 A717 L718	L617-S714 WeakPolarHBondContact CD1-OG 3.42Å; V683-S714 WeakPolarHBondContact CG1-OG 3.39Å; D710-S714 VanDerWaalsContact O-CB 3.26Å; D710-S714 WeakPolarHBondContact O-CB 3.29Å; D710-S714 PolarHBondContact O-N 3.01Å; D710-S714 PolarHBondContact O-OG 2.91Å; Q711-S714 WeakPolarHBondContact O-CB 3.39Å; Q711-S714 PolarHBondContact O-N 3Å; L712-S714 PolarHBondContact O-N 2.91Å; S714-K716 VanDerWaalsContact C-N 3.29Å; S714-K716 PolarHBondContact O-N 2.79Å; S714-A717 PolarHBondContact O-N 3.1Å; S714-A717 VanDerWaalsContact O-N 3.13Å; S714-L718 WeakPolarHBondContact O-CB 3.26Å; S714-L718 VanDerWaalsContact O-CG 3.27Å; S714-L718 WeakPolarHBondContact O-CG 3.43Å; S714-L718 PolarHBondContact O-N 2.69Å
715	V	98.3	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.1	-47.7	172.3	171.4	0	0	0	0	110.4	L649 Q711 L712 A717 L718 I719 V730 W753	L649-V715 HydrophobicContact CB-CG2 4.43Å; L649-V715 HydrophobicContact CD1-CG2 4.32Å; L649-V715 HydrophobicContact CD2-CG2 3.79Å; L649-V715 HydrophobicContact CG-CG2 4.41Å; Q711-V715 PolarHBondContact O-N 2.84Å; L712-V715 PolarHBondContact O-N 3.27Å; V715-A717 VanDerWaalsContact C-N 3.34Å; V715-A717 PolarHBondContact O-N 2.65Å; V715-L718 PolarHBondContact O-N 3.12Å; V715-I719 HydrophobicContact CG1-CD1 3.78Å; V715-I719 WeakPolarHBondContact O-CG1 3.45Å; V715-I719 PolarHBondContact O-N 2.85Å; V715-V730 HydrophobicContact CG1-CG1 4Å; V715-W753 HydrophobicContact CG1-CB 3.93Å; V715-W753 HydrophobicContact CG1-CG 4.29Å
716	K	97.3	Very high	97.2	Very high	66 Å²	66	36.8 Å²	36.8	29%	0.287	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-43.1	175.6	179.6	-175.7	-176.8	174.4	0	112.4	L712 S714 R720 W753	L712-K716 PolarHBondContact O-N 3.22Å; L712-K716 VanDerWaalsContact O-N 3.09Å; S714-K716 VanDerWaalsContact C-N 3.29Å; S714-K716 PolarHBondContact O-N 2.79Å; K716-R720 VanDerWaalsContact CE-NH2 3.27Å; K716-R720 WeakPolarHBondContact O-CB 3.25Å; K716-R720 VanDerWaalsContact O-CG 3.29Å; K716-R720 WeakPolarHBondContact O-CG 3.28Å; K716-R720 PolarHBondContact O-N 2.89Å; K716-W753 HydrophobicContact CB-CE3 4.49Å; K716-W753 HydrophobicContact CB-CH2 3.7Å; K716-W753 HydrophobicContact CB-CZ2 4.04Å; K716-W753 HydrophobicContact CB-CZ3 3.93Å; K716-W753 HydrophobicContact CD-CH2 3.73Å; K716-W753 HydrophobicContact CD-CZ2 4.26Å; K716-W753 HydrophobicContact CD-CZ3 4.49Å; K716-W753 HydrophobicContact CG-CH2 3.7Å; K716-W753 HydrophobicContact CG-CZ2 3.83Å; K716-W753 HydrophobicContact CG-CZ3 4.43Å
717	A	97.5	Very high	97.2	Very high	22 Å²	22	40.7 Å²	40.7	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-40.1	178.8	0	0	0	0	0	112.2	L617 D713 S714 V715 R720 R721	L617-A717 HydrophobicContact CD2-CB 4.04Å; D713-A717 WeakPolarHBondContact O-CB 3.5Å; D713-A717 PolarHBondContact O-N 2.56Å; S714-A717 PolarHBondContact O-N 3.1Å; S714-A717 VanDerWaalsContact O-N 3.13Å; V715-A717 VanDerWaalsContact C-N 3.34Å; V715-A717 PolarHBondContact O-N 2.65Å; A717-R720 PolarHBondContact O-N 3.15Å; A717-R721 VanDerWaalsContact O-CB 3.25Å; A717-R721 WeakPolarHBondContact O-CB 3.27Å; A717-R721 PolarHBondContact O-N 3.09Å
718	L	98.3	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-50.4	177.5	-71.9	169.9	0	0	0	111.5	L615 L631 A681 S714 V715 R720 R721 Y722 I725	L615-L718 HydrophobicContact CD1-CD1 4.43Å; L615-L718 HydrophobicContact CD1-CD2 3.9Å; L615-L718 HydrophobicContact CD1-CG 3.86Å; L615-L718 HydrophobicContact CD2-CD2 3.97Å; L631-L718 HydrophobicContact CD1-CD2 4.36Å; L631-L718 HydrophobicContact CD2-CD1 4.49Å; L631-L718 HydrophobicContact CD2-CD2 3.95Å; A681-L718 HydrophobicContact CB-CD1 3.6Å; S714-L718 WeakPolarHBondContact O-CB 3.26Å; S714-L718 VanDerWaalsContact O-CG 3.27Å; S714-L718 WeakPolarHBondContact O-CG 3.43Å; S714-L718 PolarHBondContact O-N 2.69Å; V715-L718 PolarHBondContact O-N 3.12Å; L718-R720 VanDerWaalsContact C-N 3.27Å; L718-R720 PolarHBondContact O-N 3.47Å; L718-R721 PolarHBondContact O-N 2.97Å; L718-R721 VanDerWaalsContact O-N 3.1Å; L718-Y722 HydrophobicContact CD2-CD2 4.02Å; L718-Y722 HydrophobicContact CD2-CE2 3.72Å; L718-Y722 WeakPolarHBondContact O-CD2 3.25Å; L718-Y722 PolarHBondContact O-N 2.89Å; L718-I725 HydrophobicContact CB-CD1 4.07Å
719	I	97.3	Very high	97.2	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.108	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-42.2	178.3	-68.3	167.8	0	0	0	111.1	V715 I725 E727 V730 W753	V715-I719 HydrophobicContact CG1-CD1 3.78Å; V715-I719 WeakPolarHBondContact O-CG1 3.45Å; V715-I719 PolarHBondContact O-N 2.85Å; I719-I725 HydrophobicContact CG1-CG2 3.89Å; I719-E727 HydrophobicContact CD1-CB 4.22Å; I719-E727 HydrophobicContact CG2-CB 3.82Å; I719-V730 HydrophobicContact CD1-CG2 4.1Å; I719-W753 HydrophobicContact CD1-CB 3.92Å; I719-W753 HydrophobicContact CD1-CD2 4.26Å; I719-W753 HydrophobicContact CD1-CG 3.53Å
720	R	95.8	Very high	97.3	Very high	191 Å²	191	41.6 Å²	41.6	72%	0.721	19%	0.192	S	C	*	.	H	α-helix	trans	-68.9	-32.2	178.3	-74.4	175.1	174.4	-166.6	-6.9	113.6	K716 A717 L718	K716-R720 VanDerWaalsContact CE-NH2 3.27Å; K716-R720 WeakPolarHBondContact O-CB 3.25Å; K716-R720 VanDerWaalsContact O-CG 3.29Å; K716-R720 WeakPolarHBondContact O-CG 3.28Å; K716-R720 PolarHBondContact O-N 2.89Å; A717-R720 PolarHBondContact O-N 3.15Å; L718-R720 VanDerWaalsContact C-N 3.27Å; L718-R720 PolarHBondContact O-N 3.47Å
721	R	96.2	Very high	97.3	Very high	137 Å²	137	41.6 Å²	41.6	52%	0.517	19%	0.192	S	C	.	.	H	α-helix	trans	-84.2	-33.4	-174.9	-178.7	170.4	177.9	163.2	-6.5	112.7	T613 K614 A717 L718	T613-R721 PolarHBondContact OG1-NH1 2.77Å; T613-R721 PolarHBondContact OG1-NH2 2.67Å; T613-R721 VanDerWaalsContact OG1-NH2 3.15Å; K614-R721 PolarHBondContact O-NH1 3.4Å; K614-R721 VanDerWaalsContact O-NH1 3.14Å; A717-R721 VanDerWaalsContact O-CB 3.25Å; A717-R721 WeakPolarHBondContact O-CB 3.27Å; A717-R721 PolarHBondContact O-N 3.09Å; L718-R721 PolarHBondContact O-N 2.97Å; L718-R721 VanDerWaalsContact O-N 3.1Å
722	Y	97	Very high	97.4	Very high	23 Å²	23	41.5 Å²	41.5	9%	0.09	19%	0.192	C	C	.	.			trans	-120.8	102.6	-172	-58.9	-65.4	0	0	0	110.6	L631 L718 Y724 I725	L631-Y722 HydrophobicContact CD1-CD2 4.32Å; L631-Y722 HydrophobicContact CD1-CE2 3.62Å; L718-Y722 HydrophobicContact CD2-CD2 4.02Å; L718-Y722 HydrophobicContact CD2-CE2 3.72Å; L718-Y722 WeakPolarHBondContact O-CD2 3.25Å; L718-Y722 PolarHBondContact O-N 2.89Å; Y722-Y724 AromaticContact CD1-CE1 3.98Å; Y722-Y724 HydrophobicContact CD1-CE1 3.98Å; Y722-Y724 HydrophobicContact CD1-CE2 4.36Å; Y722-Y724 AromaticContact CD1-CZ 3.56Å; Y722-Y724 WeakPolarHBondContact CD1-OH 3.32Å; Y722-Y724 HydrophobicContact CG-CE1 4.47Å; Y722-Y724 HydrophobicContact CG-CE2 4.23Å; Y722-Y724 AromaticContact CG-CZ 3.88Å; Y722-Y724 PolarHBondContact O-N 2.97Å; Y722-I725 HydrophobicContact CD2-CD1 4.1Å; Y722-I725 HydrophobicContact CG-CD1 4.4Å; Y722-I725 WeakPolarHBondContact O-CB 3.38Å; Y722-I725 PolarHBondContact O-N 3.37Å
723	H	95.8	Very high	97.4	Very high	108 Å²	108	41.8 Å²	41.8	50%	0.5	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.9	-176.3	61.2	-79.8	0	0	0	114.1	P639 Q644 I725	P639-H723 PolarHBondContact O-CE1 2.8Å; P639-H723 PolarHBondContact O-NE2 2.84Å; Q644-H723 PolarHBondContact NE2-O 3Å; H723-I725 PolarHBondContact O-N 3.21Å
724	Y	96.9	Very high	97.4	Very high	10 Å²	10	40 Å²	40	4%	0.039	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.9	175.7	53.6	-105.8	0	0	0	113.2	L633 L637 P639 Q644 Y645 I679 Y722	L633-Y724 HydrophobicContact CD2-CE2 4.38Å; L637-Y724 HydrophobicContact CD1-CD2 3.81Å; L637-Y724 HydrophobicContact CD1-CE2 3.96Å; L637-Y724 HydrophobicContact CD1-CG 4.46Å; L637-Y724 HydrophobicContact CD2-CD1 4.39Å; L637-Y724 HydrophobicContact CD2-CD2 4.23Å; L637-Y724 HydrophobicContact CD2-CE1 4.32Å; L637-Y724 HydrophobicContact CD2-CE2 4.14Å; L637-Y724 HydrophobicContact CD2-CG 4.33Å; L637-Y724 HydrophobicContact CG-CD2 4.49Å; P639-Y724 HydrophobicContact CB-CD1 4.16Å; P639-Y724 HydrophobicContact CB-CE1 3.96Å; P639-Y724 HydrophobicContact CG-CE1 4.19Å; Q644-Y724 CarbonylContact C-O 3.55Å; Q644-Y724 VanDerWaalsContact CA-O 3.24Å; Q644-Y724 WeakPolarHBondContact CA-O 3.33Å; Y645-Y724 PolarHBondContact N-O 2.93Å; I679-Y724 HydrophobicContact CD1-CD2 3.56Å; I679-Y724 HydrophobicContact CD1-CE2 3.74Å; Y722-Y724 AromaticContact CD1-CE1 3.98Å; Y722-Y724 HydrophobicContact CD1-CE1 3.98Å; Y722-Y724 HydrophobicContact CD1-CE2 4.36Å; Y722-Y724 AromaticContact CD1-CZ 3.56Å; Y722-Y724 WeakPolarHBondContact CD1-OH 3.32Å; Y722-Y724 HydrophobicContact CG-CE1 4.47Å; Y722-Y724 HydrophobicContact CG-CE2 4.23Å; Y722-Y724 AromaticContact CG-CZ 3.88Å; Y722-Y724 PolarHBondContact O-N 2.97Å
725	I	98.2	Very high	97.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.3	169.2	-66.7	177.6	0	0	0	109.2	L647 I679 L718 I719 Y722 H723 E727	L647-I725 HydrophobicContact CB-CG2 3.94Å; L647-I725 HydrophobicContact CD2-CD1 4.44Å; L647-I725 HydrophobicContact CD2-CG2 4.13Å; I679-I725 HydrophobicContact CD1-CG1 3.81Å; L718-I725 HydrophobicContact CB-CD1 4.07Å; I719-I725 HydrophobicContact CG1-CG2 3.89Å; Y722-I725 HydrophobicContact CD2-CD1 4.1Å; Y722-I725 HydrophobicContact CG-CD1 4.4Å; Y722-I725 WeakPolarHBondContact O-CB 3.38Å; Y722-I725 PolarHBondContact O-N 3.37Å; H723-I725 PolarHBondContact O-N 3.21Å; I725-E727 PolarHBondContact O-N 3.27Å
726	N	97.4	Very high	97.3	Very high	33 Å²	33	41.8 Å²	41.8	18%	0.176	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	106.3	172.8	-171.9	-21.2	0	0	0	110.6	Q644 Y645 S728 Q729	Q644-N726 HydrophobicContact CB-CB 3.93Å; Y645-N726 PolarHBondContact O-N 2.92Å; N726-S728 PolarHBondContact O-N 3.46Å; N726-S728 VanDerWaalsContact O-N 3.12Å; N726-S728 WeakPolarHBondContact OD1-CB 3.42Å; N726-S728 PolarHBondContact OD1-N 2.99Å; N726-Q729 HydrophobicContact CB-CB 4.19Å; N726-Q729 HydrophobicContact CB-CG 4.49Å; N726-Q729 PolarHBondContact ND2-OE1 2.92Å; N726-Q729 PolarHBondContact O-N 2.8Å
727	E	96.1	Very high	97.3	Very high	108 Å²	108	38.8 Å²	38.8	51%	0.505	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	-17.2	-179.7	65.6	172.7	-165	0	0	114.6	I719 I725	I719-E727 HydrophobicContact CD1-CB 4.22Å; I719-E727 HydrophobicContact CG2-CB 3.82Å; I725-E727 PolarHBondContact O-N 3.27Å
728	S	95.5	Very high	97.4	Very high	64 Å²	64	37.7 Å²	37.7	45%	0.448	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-9.4	175.8	-66.9	0	0	0	0	113.4	N726	N726-S728 PolarHBondContact O-N 3.46Å; N726-S728 VanDerWaalsContact O-N 3.12Å; N726-S728 WeakPolarHBondContact OD1-CB 3.42Å; N726-S728 PolarHBondContact OD1-N 2.99Å
729	Q	97.6	Very high	97.3	Very high	36 Å²	36	37.7 Å²	37.7	17%	0.168	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	56.7	-177	-65.4	179.6	-43.8	0	0	110.9	P646 L647 N726 Y867	P646-Q729 WeakPolarHBondContact CA-O 3.32Å; P646-Q729 HydrophobicContact CB-CB 3.91Å; P646-Q729 HydrophobicContact CG-CB 4.23Å; L647-Q729 PolarHBondContact N-O 3.27Å; N726-Q729 HydrophobicContact CB-CB 4.19Å; N726-Q729 HydrophobicContact CB-CG 4.49Å; N726-Q729 PolarHBondContact ND2-OE1 2.92Å; N726-Q729 PolarHBondContact O-N 2.8Å; Q729-Y867 HydrophobicContact CB-CD1 3.82Å; Q729-Y867 HydrophobicContact CB-CE1 4.47Å; Q729-Y867 HydrophobicContact CB-CG 4.35Å; Q729-Y867 PolarHBondContact NE2-O 2.93Å; Q729-Y867 VanDerWaalsContact O-CE1 3.26Å; Q729-Y867 WeakPolarHBondContact O-CE1 3.03Å
730	V	98.6	Very high	97.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.5	177.4	-172.6	0	0	0	0	110	L647 V715 I719 W753 I754 R755	L647-V730 HydrophobicContact CB-CG1 4.35Å; L647-V730 HydrophobicContact CB-CG2 4.3Å; L647-V730 HydrophobicContact CD2-CG1 4.06Å; L647-V730 HydrophobicContact CD2-CG2 4.48Å; L647-V730 HydrophobicContact CG-CG1 4.3Å; L647-V730 CarbonylContact O-C 3.31Å; L647-V730 WeakPolarHBondContact O-CA 3.3Å; V715-V730 HydrophobicContact CG1-CG1 4Å; I719-V730 HydrophobicContact CD1-CG2 4.1Å; V730-W753 HydrophobicContact CB-CB 4.41Å; V730-W753 HydrophobicContact CG2-CB 4.27Å; V730-I754 HydrophobicContact CG1-CG1 4.02Å; V730-I754 CarbonylContact O-C 3.54Å; V730-I754 WeakPolarHBondContact O-CA 3.39Å; V730-R755 PolarHBondContact O-N 3.15Å
731	G	98.5	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	162.8	176.1	0	0	0	0	0	110.8	L647 L648 L649 C756	L647-G731 PolarHBondContact O-N 2.91Å; L648-G731 WeakPolarHBondContact CA-O 3.26Å; L649-G731 PolarHBondContact N-O 2.95Å; G731-C756 CarbonylContact C-O 3.48Å; G731-C756 VanDerWaalsContact CA-O 3.28Å; G731-C756 WeakPolarHBondContact CA-O 3.31Å
732	A	98.7	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.2	173.5	0	0	0	0	0	111.4	L649 V742 L745 I754 C756 G757 I758	L649-A732 HydrophobicContact CB-CB 4.38Å; L649-A732 CarbonylContact O-C 3.55Å; L649-A732 VanDerWaalsContact O-CA 3.24Å; L649-A732 WeakPolarHBondContact O-CA 3.13Å; A732-V742 HydrophobicContact CB-CG1 4.28Å; A732-V742 HydrophobicContact CB-CG2 4.05Å; A732-L745 HydrophobicContact CB-CD1 4.39Å; A732-I754 HydrophobicContact CB-CD1 4.33Å; A732-I754 HydrophobicContact CB-CG2 3.92Å; A732-C756 PolarHBondContact N-O 3.04Å; A732-G757 CarbonylContact O-C 3.56Å; A732-G757 WeakPolarHBondContact O-CA 3.4Å; A732-I758 PolarHBondContact O-N 3.24Å
733	Y	98.4	Very high	97.6	Very high	14 Å²	14	20.3 Å²	20.3	6%	0.055	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	140.7	176.8	160.1	-118.3	0	0	0	110	L649 Y650 A651 W668 L669 V742 I758 V760 M859	L649-Y733 PolarHBondContact O-N 3.3Å; Y650-Y733 WeakPolarHBondContact CA-O 3.49Å; Y650-Y733 AromaticContact CD2-CD1 3.51Å; Y650-Y733 HydrophobicContact CD2-CD1 3.51Å; Y650-Y733 AromaticContact CD2-CE1 3.65Å; Y650-Y733 HydrophobicContact CD2-CE1 3.65Å; Y650-Y733 HydrophobicContact CD2-CG 4.41Å; Y650-Y733 HydrophobicContact CE2-CD1 4.11Å; Y650-Y733 AromaticContact CE2-CE1 3.79Å; Y650-Y733 HydrophobicContact CE2-CE1 3.79Å; A651-Y733 PolarHBondContact N-O 3.4Å; W668-Y733 HydrophobicContact CE3-CD1 4.2Å; W668-Y733 HydrophobicContact CE3-CE1 4.04Å; W668-Y733 AromaticContact CZ3-CD1 3.6Å; W668-Y733 HydrophobicContact CZ3-CD1 3.6Å; W668-Y733 AromaticContact CZ3-CE1 3.9Å; W668-Y733 HydrophobicContact CZ3-CE1 3.9Å; W668-Y733 HydrophobicContact CZ3-CG 4.07Å; L669-Y733 HydrophobicContact CD2-CD1 3.99Å; L669-Y733 HydrophobicContact CD2-CE1 4.17Å; Y733-V742 VanDerWaalsContact C-CG2 3.41Å; Y733-I758 WeakPolarHBondContact CA-O 3.44Å; Y733-I758 HydrophobicContact CD2-CB 3.8Å; Y733-I758 HydrophobicContact CD2-CG2 3.72Å; Y733-I758 HydrophobicContact CE2-CG2 4.25Å; Y733-I758 HydrophobicContact CG-CB 4.46Å; Y733-V760 HydrophobicContact CD2-CG2 4.5Å; Y733-V760 HydrophobicContact CE2-CG2 3.79Å; Y733-M859 HydrophobicContact CD1-CE 4.31Å; Y733-M859 HydrophobicContact CD2-CE 3.61Å; Y733-M859 HydrophobicContact CE1-CE 4.02Å; Y733-M859 HydrophobicContact CE2-CE 3.25Å; Y733-M859 HydrophobicContact CE2-SD 4.21Å; Y733-M859 HydrophobicContact CG-CE 4.12Å; Y733-M859 VanDerWaalsContact CZ-CE 3.47Å
734	G	98.4	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	156.9	174.6	0	0	0	0	0	111.9	G738 G739 I758 V760	G734-G738 VanDerWaalsContact CA-C 3.48Å; G734-G739 VanDerWaalsContact C-N 3.35Å; G734-I758 PolarHBondContact N-O 2.96Å; G734-V760 PolarHBondContact O-N 3.35Å
735	W	97.5	Very high	97.6	Very high	25 Å²	25	14.8 Å²	14.8	10%	0.095	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143	-179.4	-163.6	-59.4	0	0	0	109.8	Y737 G738 V760 H844 F845 L846 L855	W735-Y737 PolarHBondContact O-N 3.04Å; W735-G738 WeakPolarHBondContact O-CA 3.4Å; W735-G738 PolarHBondContact O-N 2.91Å; W735-V760 CarbonylContact C-O 3.48Å; W735-V760 VanDerWaalsContact CA-O 3.25Å; W735-V760 WeakPolarHBondContact CA-O 3.35Å; W735-V760 HydrophobicContact CB-CB 4.29Å; W735-V760 HydrophobicContact CD2-CB 3.67Å; W735-V760 HydrophobicContact CD2-CG1 3.38Å; W735-V760 VanDerWaalsContact CE2-CG1 3.47Å; W735-V760 HydrophobicContact CE3-CB 3.74Å; W735-V760 HydrophobicContact CE3-CG1 3.51Å; W735-V760 HydrophobicContact CE3-CG2 4.09Å; W735-V760 HydrophobicContact CG-CB 3.92Å; W735-V760 HydrophobicContact CG-CG1 4.04Å; W735-V760 HydrophobicContact CH2-CG1 3.87Å; W735-V760 HydrophobicContact CZ2-CG1 3.7Å; W735-V760 HydrophobicContact CZ3-CB 4.4Å; W735-V760 HydrophobicContact CZ3-CG1 3.77Å; W735-H844 AromaticContact CD1-NE2 3.93Å; W735-H844 VanDerWaalsContact CE2-O 3.3Å; W735-H844 WeakPolarHBondContact CZ2-O 3.36Å; W735-H844 AromaticContact NE1-NE2 3.96Å; W735-H844 PolarHBondContact NE1-O 2.79Å; W735-F845 WeakPolarHBondContact CH2-O 3.38Å; W735-L846 HydrophobicContact CH2-CB 4.01Å; W735-L846 HydrophobicContact CH2-CD1 3.79Å; W735-L846 HydrophobicContact CH2-CG 3.95Å; W735-L846 HydrophobicContact CZ2-CB 4.17Å; W735-L846 HydrophobicContact CZ2-CD1 3.79Å; W735-L846 HydrophobicContact CZ2-CG 3.72Å; W735-L855 HydrophobicContact CH2-CD2 3.4Å; W735-L855 VanDerWaalsContact CH2-CD2 3.4Å; W735-L855 HydrophobicContact CZ3-CD2 3.4Å
736	S	96.7	Very high	97.6	Very high	13 Å²	13	14.6 Å²	14.6	9%	0.091	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-122.5	-180	-163.2	0	0	0	0	110.6	G738 G739 F740 V760 A761 H844	S736-G738 PolarHBondContact O-N 3.02Å; S736-G739 WeakPolarHBondContact O-CA 3.46Å; S736-G739 PolarHBondContact O-N 2.93Å; S736-F740 PolarHBondContact O-N 2.86Å; S736-V760 PolarHBondContact N-O 3.06Å; S736-A761 WeakPolarHBondContact CA-O 3.33Å; S736-H844 WeakPolarHBondContact CB-NE2 3.29Å; S736-H844 PolarHBondContact OG-CE1 2.8Å; S736-H844 PolarHBondContact OG-NE2 3.16Å
737	Y	97.8	Very high	97.5	Very high	3 Å²	3	13 Å²	13	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-54.2	-34.2	168.2	-162.4	-73.5	0	0	0	112.5	Y652 G653 G654 L703 E707 W735 G739 F740 T741 F766 Y773	Y652-Y737 VanDerWaalsContact O-CD1 3.29Å; Y652-Y737 WeakPolarHBondContact O-CD1 3.47Å; G653-Y737 WeakPolarHBondContact O-CE1 3.44Å; G654-Y737 VanDerWaalsContact CA-CE1 3.5Å; G654-Y737 VanDerWaalsContact N-CD1 3.3Å; L703-Y737 HydrophobicContact CD1-CE2 4.32Å; E707-Y737 PolarHBondContact OE1-OH 2.95Å; W735-Y737 PolarHBondContact O-N 3.04Å; Y737-G739 VanDerWaalsContact C-N 3.27Å; Y737-G739 PolarHBondContact O-N 2.78Å; Y737-F740 HydrophobicContact CD1-CD1 4.18Å; Y737-F740 AromaticContact CE1-CD1 3.8Å; Y737-F740 HydrophobicContact CE1-CD1 3.8Å; Y737-F740 HydrophobicContact CE1-CE1 4.19Å; Y737-F740 HydrophobicContact CE2-CD1 4.32Å; Y737-F740 AromaticContact CZ-CD1 3.88Å; Y737-F740 AromaticContact CZ-CE1 3.95Å; Y737-F740 WeakPolarHBondContact O-CA 3.36Å; Y737-F740 WeakPolarHBondContact O-CB 2.95Å; Y737-F740 PolarHBondContact O-N 3.21Å; Y737-F740 VanDerWaalsContact O-N 3.14Å; Y737-T741 PolarHBondContact O-N 3.15Å; Y737-T741 PolarHBondContact O-OG1 3.08Å; Y737-F766 HydrophobicContact CD2-CZ 4.07Å; Y737-F766 HydrophobicContact CE2-CE1 4.41Å; Y737-F766 AromaticContact CE2-CZ 3.74Å; Y737-F766 HydrophobicContact CE2-CZ 3.74Å; Y737-Y773 WeakPolarHBondContact CD2-OH 3.17Å
738	G	98	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62	-34.4	173	0	0	0	0	0	113.1	A651 G734 W735 S736 T741 V742	A651-G738 WeakPolarHBondContact O-CA 3.36Å; G734-G738 VanDerWaalsContact CA-C 3.48Å; W735-G738 WeakPolarHBondContact O-CA 3.4Å; W735-G738 PolarHBondContact O-N 2.91Å; S736-G738 PolarHBondContact O-N 3.02Å; G738-T741 WeakPolarHBondContact O-CB 3.01Å; G738-T741 PolarHBondContact O-N 2.76Å; G738-V742 WeakPolarHBondContact O-CG2 3.07Å; G738-V742 PolarHBondContact O-N 3.37Å
739	G	98	Very high	97.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.6	-38.3	173.6	0	0	0	0	0	112.1	G734 S736 Y737 V742 S743 S759	G734-G739 VanDerWaalsContact C-N 3.35Å; S736-G739 WeakPolarHBondContact O-CA 3.46Å; S736-G739 PolarHBondContact O-N 2.93Å; Y737-G739 VanDerWaalsContact C-N 3.27Å; Y737-G739 PolarHBondContact O-N 2.78Å; G739-V742 PolarHBondContact O-N 2.84Å; G739-S743 WeakPolarHBondContact O-CB 3.3Å; G739-S743 PolarHBondContact O-N 2.77Å; G739-S743 PolarHBondContact O-OG 3.48Å; G739-S759 VanDerWaalsContact C-OG 3.29Å; G739-S759 WeakPolarHBondContact CA-OG 3.32Å; G739-S759 PolarHBondContact O-OG 2.89Å
740	F	97.9	Very high	97.1	Very high	2 Å²	2	13 Å²	13	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-55.8	-51.4	167.6	167.7	-97.2	0	0	0	110.6	G704 S736 Y737 V742 S743 H744 V763 F766 T791	G704-F740 VanDerWaalsContact CA-CZ 3.46Å; S736-F740 PolarHBondContact O-N 2.86Å; Y737-F740 HydrophobicContact CD1-CD1 4.18Å; Y737-F740 AromaticContact CE1-CD1 3.8Å; Y737-F740 HydrophobicContact CE1-CD1 3.8Å; Y737-F740 HydrophobicContact CE1-CE1 4.19Å; Y737-F740 HydrophobicContact CE2-CD1 4.32Å; Y737-F740 AromaticContact CZ-CD1 3.88Å; Y737-F740 AromaticContact CZ-CE1 3.95Å; Y737-F740 WeakPolarHBondContact O-CA 3.36Å; Y737-F740 WeakPolarHBondContact O-CB 2.95Å; Y737-F740 PolarHBondContact O-N 3.21Å; Y737-F740 VanDerWaalsContact O-N 3.14Å; F740-V742 PolarHBondContact O-N 2.92Å; F740-S743 PolarHBondContact O-N 3.31Å; F740-H744 AromaticContact CD2-CD2 3.85Å; F740-H744 AromaticContact CD2-NE2 3.78Å; F740-H744 AromaticContact CE2-CD2 3.65Å; F740-H744 AromaticContact CE2-CE1 3.89Å; F740-H744 AromaticContact CE2-NE2 3.19Å; F740-H744 WeakPolarHBondContact CE2-NE2 3.3Å; F740-H744 AromaticContact CZ-CD2 3.91Å; F740-H744 AromaticContact CZ-CE1 3.87Å; F740-H744 AromaticContact CZ-NE2 3.58Å; F740-H744 PolarHBondContact O-CD2 2.78Å; F740-H744 VanDerWaalsContact O-CD2 3.22Å; F740-H744 PolarHBondContact O-N 3.48Å; F740-V763 VanDerWaalsContact CB-O 3.25Å; F740-V763 WeakPolarHBondContact CB-O 3.34Å; F740-V763 VanDerWaalsContact CD2-O 3.27Å; F740-V763 WeakPolarHBondContact CD2-O 3.23Å; F740-F766 HydrophobicContact CD2-CE2 4.08Å; F740-F766 HydrophobicContact CE1-CE2 4.35Å; F740-F766 HydrophobicContact CE2-CD2 4.5Å; F740-F766 AromaticContact CE2-CE2 3.69Å; F740-F766 HydrophobicContact CE2-CE2 3.69Å; F740-F766 AromaticContact CZ-CE2 3.85Å; F740-F766 HydrophobicContact CZ-CE2 3.85Å; F740-T791 VanDerWaalsContact CE2-O 3.25Å; F740-T791 WeakPolarHBondContact CE2-O 3.48Å
741	T	97.9	Very high	96.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.4	-47.1	178	-66.3	0	0	0	0	112.5	A651 Y652 I708 Q711 Y737 G738 S743 H744 L745	A651-T741 HydrophobicContact CB-CG2 3.6Å; Y652-T741 PolarHBondContact O-OG1 3.44Å; I708-T741 HydrophobicContact CD1-CG2 3.69Å; Q711-T741 HydrophobicContact CG-CG2 4.33Å; Y737-T741 PolarHBondContact O-N 3.15Å; Y737-T741 PolarHBondContact O-OG1 3.08Å; G738-T741 WeakPolarHBondContact O-CB 3.01Å; G738-T741 PolarHBondContact O-N 2.76Å; T741-S743 VanDerWaalsContact C-N 3.34Å; T741-S743 PolarHBondContact O-N 2.99Å; T741-H744 PolarHBondContact O-N 2.85Å; T741-L745 HydrophobicContact CG2-CD1 4Å; T741-L745 HydrophobicContact CG2-CG 4.28Å; T741-L745 VanDerWaalsContact O-CG 3.25Å; T741-L745 WeakPolarHBondContact O-CG 3.41Å; T741-L745 PolarHBondContact O-N 3.16Å
742	V	98.1	Very high	96.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-42.7	177.5	170.1	0	0	0	0	111.9	A732 Y733 G738 G739 F740 H744 L745 L746	A732-V742 HydrophobicContact CB-CG1 4.28Å; A732-V742 HydrophobicContact CB-CG2 4.05Å; Y733-V742 VanDerWaalsContact C-CG2 3.41Å; G738-V742 WeakPolarHBondContact O-CG2 3.07Å; G738-V742 PolarHBondContact O-N 3.37Å; G739-V742 PolarHBondContact O-N 2.84Å; F740-V742 PolarHBondContact O-N 2.92Å; V742-H744 VanDerWaalsContact C-N 3.29Å; V742-H744 PolarHBondContact O-N 2.98Å; V742-L745 PolarHBondContact O-N 3.23Å; V742-L746 HydrophobicContact CG1-CD1 4.38Å; V742-L746 WeakPolarHBondContact O-CG 3.36Å; V742-L746 PolarHBondContact O-N 3.19Å; V742-L746 VanDerWaalsContact O-N 3.08Å
743	S	97.2	Very high	96.5	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-43.9	178.1	-52.8	0	0	0	0	110.4	G739 F740 T741 L746 T747 S759	G739-S743 WeakPolarHBondContact O-CB 3.3Å; G739-S743 PolarHBondContact O-N 2.77Å; G739-S743 PolarHBondContact O-OG 3.48Å; F740-S743 PolarHBondContact O-N 3.31Å; T741-S743 VanDerWaalsContact C-N 3.34Å; T741-S743 PolarHBondContact O-N 2.99Å; S743-L746 PolarHBondContact O-N 2.82Å; S743-T747 WeakPolarHBondContact O-CG2 3.38Å; S743-T747 PolarHBondContact O-N 3.3Å; S743-S759 PolarHBondContact OG-OG 3.38Å
744	H	96.7	Very high	96.4	Very high	3 Å²	3	21 Å²	21	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-41.7	175.1	-81.2	-111	0	0	0	112.9	G704 I708 F740 T741 V742 L746 T747 R748 T791 A792	G704-H744 PolarHBondContact O-ND1 2.92Å; I708-H744 HydrophobicContact CD1-CB 3.74Å; I708-H744 HydrophobicContact CG1-CB 3.87Å; I708-H744 HydrophobicContact CG2-CB 4.1Å; F740-H744 AromaticContact CD2-CD2 3.85Å; F740-H744 AromaticContact CD2-NE2 3.78Å; F740-H744 AromaticContact CE2-CD2 3.65Å; F740-H744 AromaticContact CE2-CE1 3.89Å; F740-H744 AromaticContact CE2-NE2 3.19Å; F740-H744 WeakPolarHBondContact CE2-NE2 3.3Å; F740-H744 AromaticContact CZ-CD2 3.91Å; F740-H744 AromaticContact CZ-CE1 3.87Å; F740-H744 AromaticContact CZ-NE2 3.58Å; F740-H744 PolarHBondContact O-CD2 2.78Å; F740-H744 VanDerWaalsContact O-CD2 3.22Å; F740-H744 PolarHBondContact O-N 3.48Å; T741-H744 PolarHBondContact O-N 2.85Å; V742-H744 VanDerWaalsContact C-N 3.29Å; V742-H744 PolarHBondContact O-N 2.98Å; H744-L746 PolarHBondContact O-N 3.23Å; H744-T747 PolarHBondContact O-N 3.48Å; H744-R748 WeakPolarHBondContact O-CG 3.07Å; H744-R748 PolarHBondContact O-N 3.23Å; H744-R748 VanDerWaalsContact O-N 3.15Å; H744-T791 PolarHBondContact CE1-O 3.02Å; H744-T791 PolarHBondContact NE2-O 3.36Å; H744-A792 PolarHBondContact CE1-O 3.27Å
745	L	97.3	Very high	96.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57	-39	177.2	-73.7	171.8	0	0	0	112.1	L649 A651 I708 Q711 L712 A732 T741 V742 N751 I754	L649-L745 HydrophobicContact CD2-CD1 3.8Å; A651-L745 HydrophobicContact CB-CD1 3.98Å; I708-L745 HydrophobicContact CG2-CD2 3.88Å; I708-L745 HydrophobicContact CG2-CG 4.34Å; Q711-L745 HydrophobicContact CB-CD1 4.39Å; Q711-L745 HydrophobicContact CB-CD2 3.77Å; L712-L745 HydrophobicContact CD1-CD2 4.49Å; L712-L745 HydrophobicContact CD2-CD2 3.62Å; L712-L745 HydrophobicContact CG-CD2 3.59Å; A732-L745 HydrophobicContact CB-CD1 4.39Å; T741-L745 HydrophobicContact CG2-CD1 4Å; T741-L745 HydrophobicContact CG2-CG 4.28Å; T741-L745 VanDerWaalsContact O-CG 3.25Å; T741-L745 WeakPolarHBondContact O-CG 3.41Å; T741-L745 PolarHBondContact O-N 3.16Å; V742-L745 PolarHBondContact O-N 3.23Å; L745-N751 VanDerWaalsContact O-CB 3.3Å; L745-N751 WeakPolarHBondContact O-CB 3.38Å; L745-N751 PolarHBondContact O-ND2 2.83Å; L745-N751 VanDerWaalsContact O-ND2 3.08Å; L745-I754 HydrophobicContact CB-CD1 4.01Å; L745-I754 HydrophobicContact CD1-CD1 4.27Å; L745-I754 HydrophobicContact CD2-CD1 4.37Å; L745-I754 HydrophobicContact CG-CD1 4.47Å
746	L	96.7	Very high	96.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-75.5	-30.9	-178.8	-70.7	-177.6	0	0	0	113.9	V742 S743 H744 I754 M799 K802 F804	V742-L746 HydrophobicContact CG1-CD1 4.38Å; V742-L746 WeakPolarHBondContact O-CG 3.36Å; V742-L746 PolarHBondContact O-N 3.19Å; V742-L746 VanDerWaalsContact O-N 3.08Å; S743-L746 PolarHBondContact O-N 2.82Å; H744-L746 PolarHBondContact O-N 3.23Å; L746-I754 HydrophobicContact CD2-CB 4.33Å; L746-I754 HydrophobicContact CD2-CG2 3.61Å; L746-M799 HydrophobicContact CB-CE 3.42Å; L746-M799 VanDerWaalsContact CB-CE 3.42Å; L746-M799 HydrophobicContact CB-CG 4.17Å; L746-M799 HydrophobicContact CB-SD 4.5Å; L746-M799 HydrophobicContact CD1-CE 3.78Å; L746-M799 HydrophobicContact CD1-CG 4.23Å; L746-M799 HydrophobicContact CD1-SD 4.23Å; L746-M799 HydrophobicContact CG-CE 4.26Å; L746-K802 HydrophobicContact CD2-CB 4.42Å; L746-F804 HydrophobicContact CD1-CD2 3.55Å; L746-F804 HydrophobicContact CD1-CE2 4.15Å; L746-F804 HydrophobicContact CD1-CG 4.36Å
747	T	95.2	Very high	96.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-90.8	-10.9	-178.7	73.3	0	0	0	0	113.9	S743 H744 I793 R794 N798 M799	S743-T747 WeakPolarHBondContact O-CG2 3.38Å; S743-T747 PolarHBondContact O-N 3.3Å; H744-T747 PolarHBondContact O-N 3.48Å; T747-I793 HydrophobicContact CG2-CB 4.27Å; T747-I793 HydrophobicContact CG2-CD1 4.44Å; T747-R794 WeakPolarHBondContact CB-O 3.35Å; T747-R794 PolarHBondContact OG1-O 2.78Å; T747-N798 WeakPolarHBondContact O-CB 2.87Å; T747-N798 PolarHBondContact O-ND2 2.86Å; T747-M799 HydrophobicContact CG2-CB 4.34Å; T747-M799 HydrophobicContact CG2-CE 3.6Å
748	R	94.5	Very high	96.4	Very high	23 Å²	23	24 Å²	24	9%	0.087	11%	0.113	C	C	.	.			trans	-66.9	128.8	178.6	-77.9	-77.2	176.2	171	3.1	112	G704 I708 L712 H744 E750 N751	G704-R748 PolarHBondContact O-NH2 2.89Å; I708-R748 HydrophobicContact CG2-CG 3.92Å; L712-R748 HydrophobicContact CD1-CB 3.82Å; L712-R748 HydrophobicContact CD1-CG 4.2Å; H744-R748 WeakPolarHBondContact O-CG 3.07Å; H744-R748 PolarHBondContact O-N 3.23Å; H744-R748 VanDerWaalsContact O-N 3.15Å; R748-E750 PolarHBondContact O-N 2.58Å; R748-N751 VanDerWaalsContact O-CB 3.28Å; R748-N751 WeakPolarHBondContact O-CB 3.35Å; R748-N751 PolarHBondContact O-N 2.91Å
749	P	92.8	Very high	96.4	Very high	78 Å²	78	24 Å²	24	51%	0.506	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.5	179.3	26.1	-33.6	0	0	0	113.1	N751	P749-N751 PolarHBondContact O-N 3.46Å
750	E	93.4	Very high	96.5	Very high	106 Å²	106	24 Å²	24	50%	0.495	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-13	176.1	-56.1	80.1	-172.6	0	0	112.9	L712 R748 Q752	L712-E750 HydrophobicContact CD1-CB 4.3Å; R748-E750 PolarHBondContact O-N 2.58Å; E750-Q752 PolarHBondContact O-N 2.99Å; E750-Q752 VanDerWaalsContact O-N 3.12Å
751	N	95.2	Very high	96.4	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.064	11%	0.112	C	C	.	.			trans	-75	100.4	-179.8	175.7	22.3	0	0	0	112.2	L712 L745 R748 P749 W753 I754	L712-N751 HydrophobicContact CD2-CB 3.93Å; L745-N751 VanDerWaalsContact O-CB 3.3Å; L745-N751 WeakPolarHBondContact O-CB 3.38Å; L745-N751 PolarHBondContact O-ND2 2.83Å; L745-N751 VanDerWaalsContact O-ND2 3.08Å; R748-N751 VanDerWaalsContact O-CB 3.28Å; R748-N751 WeakPolarHBondContact O-CB 3.35Å; R748-N751 PolarHBondContact O-N 2.91Å; P749-N751 PolarHBondContact O-N 3.46Å; N751-W753 PolarHBondContact OD1-N 3.09Å; N751-I754 PolarHBondContact ND2-O 3.48Å; N751-I754 WeakPolarHBondContact OD1-CB 3.43Å; N751-I754 PolarHBondContact OD1-N 2.87Å
752	Q	91.6	Very high	96.4	Very high	131 Å²	131	23.9 Å²	23.9	61%	0.612	11%	0.112	S	C	*	.	S	Bend	trans	-97	-18.3	176	-63.3	-177.3	-14.5	0	0	113.7	E750 R755	E750-Q752 PolarHBondContact O-N 2.99Å; E750-Q752 VanDerWaalsContact O-N 3.12Å; Q752-R755 PolarHBondContact O-NH2 3.06Å
753	W	96.1	Very high	96.4	Very high	38 Å²	38	24.1 Å²	24.1	14%	0.144	11%	0.114	C	C	.	.	S	Bend	trans	-106.7	-47.2	-165.6	-57.1	-78.1	0	0	0	113.4	V715 K716 I719 V730 N751 R755	V715-W753 HydrophobicContact CG1-CB 3.93Å; V715-W753 HydrophobicContact CG1-CG 4.29Å; K716-W753 HydrophobicContact CB-CE3 4.49Å; K716-W753 HydrophobicContact CB-CH2 3.7Å; K716-W753 HydrophobicContact CB-CZ2 4.04Å; K716-W753 HydrophobicContact CB-CZ3 3.93Å; K716-W753 HydrophobicContact CD-CH2 3.73Å; K716-W753 HydrophobicContact CD-CZ2 4.26Å; K716-W753 HydrophobicContact CD-CZ3 4.49Å; K716-W753 HydrophobicContact CG-CH2 3.7Å; K716-W753 HydrophobicContact CG-CZ2 3.83Å; K716-W753 HydrophobicContact CG-CZ3 4.43Å; I719-W753 HydrophobicContact CD1-CB 3.92Å; I719-W753 HydrophobicContact CD1-CD2 4.26Å; I719-W753 HydrophobicContact CD1-CG 3.53Å; V730-W753 HydrophobicContact CB-CB 4.41Å; V730-W753 HydrophobicContact CG2-CB 4.27Å; N751-W753 PolarHBondContact OD1-N 3.09Å; W753-R755 WeakPolarHBondContact O-CD 3.44Å; W753-R755 WeakPolarHBondContact O-CG 3.3Å; W753-R755 PolarHBondContact O-N 3.43Å; W753-R755 PolarHBondContact O-NE 2.98Å
754	I	97.7	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	120.2	-172.1	-53.6	168.5	0	0	0	108.9	L712 V730 A732 L745 L746 N751 C756 K802	L712-I754 HydrophobicContact CD2-CD1 4.08Å; V730-I754 HydrophobicContact CG1-CG1 4.02Å; V730-I754 CarbonylContact O-C 3.54Å; V730-I754 WeakPolarHBondContact O-CA 3.39Å; A732-I754 HydrophobicContact CB-CD1 4.33Å; A732-I754 HydrophobicContact CB-CG2 3.92Å; L745-I754 HydrophobicContact CB-CD1 4.01Å; L745-I754 HydrophobicContact CD1-CD1 4.27Å; L745-I754 HydrophobicContact CD2-CD1 4.37Å; L745-I754 HydrophobicContact CG-CD1 4.47Å; L746-I754 HydrophobicContact CD2-CB 4.33Å; L746-I754 HydrophobicContact CD2-CG2 3.61Å; N751-I754 PolarHBondContact ND2-O 3.48Å; N751-I754 WeakPolarHBondContact OD1-CB 3.43Å; N751-I754 PolarHBondContact OD1-N 2.87Å; I754-C756 VanDerWaalsContact CG2-O 3.29Å; I754-C756 WeakPolarHBondContact CG2-O 3.21Å; I754-K802 WeakPolarHBondContact O-CD 3.48Å; I754-K802 WeakPolarHBondContact O-CE 3.35Å; I754-K802 PolarHBondContact O-NZ 2.85Å
755	R	96	Very high	96.3	Very high	104 Å²	104	25.6 Å²	25.6	39%	0.392	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-24.6	-176	-56.6	-53.5	176.1	164.9	-5.7	113.4	V730 Q752 W753 K802 G803	V730-R755 PolarHBondContact O-N 3.15Å; Q752-R755 PolarHBondContact O-NH2 3.06Å; W753-R755 WeakPolarHBondContact O-CD 3.44Å; W753-R755 WeakPolarHBondContact O-CG 3.3Å; W753-R755 PolarHBondContact O-N 3.43Å; W753-R755 PolarHBondContact O-NE 2.98Å; R755-K802 CarbonylContact O-C 3.49Å; R755-K802 VanDerWaalsContact O-CA 3.25Å; R755-K802 WeakPolarHBondContact O-CA 3.01Å; R755-K802 WeakPolarHBondContact O-CB 3.46Å; R755-G803 PolarHBondContact O-N 3.33Å
756	C	97.4	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.7	173.7	49.4	0	0	0	0	112.5	G731 A732 I754 G803 F862 C866	G731-C756 CarbonylContact C-O 3.48Å; G731-C756 VanDerWaalsContact CA-O 3.28Å; G731-C756 WeakPolarHBondContact CA-O 3.31Å; A732-C756 PolarHBondContact N-O 3.04Å; I754-C756 VanDerWaalsContact CG2-O 3.29Å; I754-C756 WeakPolarHBondContact CG2-O 3.21Å; C756-G803 CarbonylContact C-O 3.49Å; C756-G803 WeakPolarHBondContact CA-O 3.23Å; C756-G803 WeakPolarHBondContact CB-O 3.27Å; C756-F862 HydrophobicContact CB-CE1 3.97Å; C756-F862 HydrophobicContact CB-CZ 4Å; C756-C866 HydrophobicContact CB-CB 3.73Å; C756-C866 WeakPolarHBondContact CB-SG 3.29Å; C756-C866 WeakPolarHBondContact SG-CB 3.27Å; C756-C866 CovalentContact SG-SG 2.02Å; C756-C866 PolarHBondContact SG-SG 2.87Å
757	G	98.2	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.8	176.3	0	0	0	0	0	112.6	A732 G803 F804 L805	A732-G757 CarbonylContact O-C 3.56Å; A732-G757 WeakPolarHBondContact O-CA 3.4Å; G757-G803 PolarHBondContact N-O 2.88Å; G757-F804 WeakPolarHBondContact O-CA 3.41Å; G757-F804 WeakPolarHBondContact O-CD2 3.44Å; G757-L805 PolarHBondContact O-N 2.8Å
758	I	98.8	Very high	96.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.9	168.9	-58.8	170.8	0	0	0	108	W668 A732 Y733 G734 V760 L805 M859 F862 L863	W668-I758 HydrophobicContact CH2-CD1 4.32Å; A732-I758 PolarHBondContact O-N 3.24Å; Y733-I758 WeakPolarHBondContact CA-O 3.44Å; Y733-I758 HydrophobicContact CD2-CB 3.8Å; Y733-I758 HydrophobicContact CD2-CG2 3.72Å; Y733-I758 HydrophobicContact CE2-CG2 4.25Å; Y733-I758 HydrophobicContact CG-CB 4.46Å; G734-I758 PolarHBondContact N-O 2.96Å; I758-V760 HydrophobicContact CG2-CG2 3.89Å; I758-L805 WeakPolarHBondContact CA-O 3.39Å; I758-L805 HydrophobicContact CG1-CB 4.23Å; I758-L805 HydrophobicContact CG1-CD2 4.21Å; I758-L805 HydrophobicContact CG2-CD2 4.21Å; I758-L805 HydrophobicContact CG2-CG 4.42Å; I758-M859 HydrophobicContact CD1-CB 3.78Å; I758-M859 HydrophobicContact CD1-CE 4.33Å; I758-M859 HydrophobicContact CD1-CG 3.99Å; I758-M859 HydrophobicContact CG2-CE 4.32Å; I758-M859 HydrophobicContact CG2-CG 3.98Å; I758-M859 HydrophobicContact CG2-SD 4.33Å; I758-F862 HydrophobicContact CD1-CD1 3.94Å; I758-F862 HydrophobicContact CD1-CE1 4.5Å; I758-F862 HydrophobicContact CG1-CD1 3.54Å; I758-F862 HydrophobicContact CG1-CE1 3.68Å; I758-L863 HydrophobicContact CD1-CD1 4Å; I758-L863 HydrophobicContact CD1-CD2 3.91Å; I758-L863 HydrophobicContact CD1-CG 3.6Å; I758-L863 HydrophobicContact CG1-CD2 4.33Å
759	S	98.5	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.6	177.1	-173.9	0	0	0	0	109.1	G739 S743 P762 L805 L806 V807	G739-S759 VanDerWaalsContact C-OG 3.29Å; G739-S759 WeakPolarHBondContact CA-OG 3.32Å; G739-S759 PolarHBondContact O-OG 2.89Å; S743-S759 PolarHBondContact OG-OG 3.38Å; S759-P762 VanDerWaalsContact OG-CB 3.25Å; S759-P762 WeakPolarHBondContact OG-CB 2.99Å; S759-P762 VanDerWaalsContact OG-CG 3.28Å; S759-P762 WeakPolarHBondContact OG-CG 3.41Å; S759-L805 PolarHBondContact N-O 2.9Å; S759-L806 WeakPolarHBondContact O-CA 3.33Å; S759-V807 PolarHBondContact O-N 2.73Å
760	V	98.5	Very high	96.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.4	179.3	-173	0	0	0	0	109.5	Y733 G734 W735 S736 I758 P762 V807 L846 M859	Y733-V760 HydrophobicContact CD2-CG2 4.5Å; Y733-V760 HydrophobicContact CE2-CG2 3.79Å; G734-V760 PolarHBondContact O-N 3.35Å; W735-V760 CarbonylContact C-O 3.48Å; W735-V760 VanDerWaalsContact CA-O 3.25Å; W735-V760 WeakPolarHBondContact CA-O 3.35Å; W735-V760 HydrophobicContact CB-CB 4.29Å; W735-V760 HydrophobicContact CD2-CB 3.67Å; W735-V760 HydrophobicContact CD2-CG1 3.38Å; W735-V760 VanDerWaalsContact CE2-CG1 3.47Å; W735-V760 HydrophobicContact CE3-CB 3.74Å; W735-V760 HydrophobicContact CE3-CG1 3.51Å; W735-V760 HydrophobicContact CE3-CG2 4.09Å; W735-V760 HydrophobicContact CG-CB 3.92Å; W735-V760 HydrophobicContact CG-CG1 4.04Å; W735-V760 HydrophobicContact CH2-CG1 3.87Å; W735-V760 HydrophobicContact CZ2-CG1 3.7Å; W735-V760 HydrophobicContact CZ3-CB 4.4Å; W735-V760 HydrophobicContact CZ3-CG1 3.77Å; S736-V760 PolarHBondContact N-O 3.06Å; I758-V760 HydrophobicContact CG2-CG2 3.89Å; V760-P762 VanDerWaalsContact C-CD 3.49Å; V760-V807 HydrophobicContact CB-CB 4.4Å; V760-V807 HydrophobicContact CG1-CB 4.12Å; V760-V807 HydrophobicContact CG1-CG1 4.27Å; V760-V807 HydrophobicContact CG2-CB 4.09Å; V760-V807 HydrophobicContact CG2-CG2 4.25Å; V760-L846 HydrophobicContact CG1-CD1 3.56Å; V760-M859 HydrophobicContact CG2-SD 4.22Å
761	A	97.7	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	45	50	-179.6	0	0	0	0	0	114.8	S736 V807 H808 D812	S736-A761 WeakPolarHBondContact CA-O 3.33Å; A761-V807 PolarHBondContact N-O 3.07Å; A761-H808 VanDerWaalsContact CA-CE1 3.48Å; A761-H808 WeakPolarHBondContact CA-CE1 3.29Å; A761-D812 WeakPolarHBondContact CB-OD2 3.39Å
762	P	97.9	Very high	96.4	Very high	1 Å²	1	23 Å²	23	1%	0.006	10%	0.099	C	C	.	.			trans	-72.3	142.3	-172.5	29.2	-35.6	0	0	0	113.6	S759 V760 S764 L806 V815 N819 L823	S759-P762 VanDerWaalsContact OG-CB 3.25Å; S759-P762 WeakPolarHBondContact OG-CB 2.99Å; S759-P762 VanDerWaalsContact OG-CG 3.28Å; S759-P762 WeakPolarHBondContact OG-CG 3.41Å; V760-P762 VanDerWaalsContact C-CD 3.49Å; P762-S764 PolarHBondContact O-N 2.89Å; P762-L806 HydrophobicContact CG-CD1 3.48Å; P762-L806 VanDerWaalsContact CG-CD1 3.48Å; P762-V815 VanDerWaalsContact O-CG1 3.25Å; P762-V815 WeakPolarHBondContact O-CG1 3.45Å; P762-N819 VanDerWaalsContact O-CB 3.26Å; P762-N819 WeakPolarHBondContact O-CB 3.29Å; P762-L823 HydrophobicContact CG-CD2 4.18Å
763	V	97.1	Very high	96.5	Very high	4 Å²	4	18 Å²	18	2%	0.024	8%	0.075	C	C	.	.			trans	-73	124	158	-175	0	0	0	0	107.3	F740 F766 Y769 V815	F740-V763 VanDerWaalsContact CB-O 3.25Å; F740-V763 WeakPolarHBondContact CB-O 3.34Å; F740-V763 VanDerWaalsContact CD2-O 3.27Å; F740-V763 WeakPolarHBondContact CD2-O 3.23Å; V763-F766 HydrophobicContact CB-CE1 4.45Å; V763-F766 HydrophobicContact CB-CZ 4.48Å; V763-F766 HydrophobicContact CG1-CD1 3.89Å; V763-F766 HydrophobicContact CG1-CD2 4.36Å; V763-F766 HydrophobicContact CG1-CE1 3.83Å; V763-F766 HydrophobicContact CG1-CE2 4.33Å; V763-F766 HydrophobicContact CG1-CG 4.16Å; V763-F766 HydrophobicContact CG1-CZ 4.07Å; V763-Y769 HydrophobicContact CG2-CD2 4.06Å; V763-Y769 HydrophobicContact CG2-CE2 4.2Å; V763-Y769 HydrophobicContact CG2-CG 4.47Å; V763-V815 HydrophobicContact CB-CG1 4.5Å; V763-V815 HydrophobicContact CG2-CB 4.46Å; V763-V815 HydrophobicContact CG2-CG1 3.91Å; V763-V815 HydrophobicContact CG2-CG2 3.63Å
764	S	95.7	Very high	96.5	Very high	23 Å²	23	16.2 Å²	16.2	16%	0.161	7%	0.068	C	C	.	.			trans	-109.4	-21.4	177	70.5	0	0	0	0	112.3	P762 N819	P762-S764 PolarHBondContact O-N 2.89Å; S764-N819 PolarHBondContact N-OD1 2.99Å; S764-N819 VanDerWaalsContact OG-CA 3.22Å; S764-N819 WeakPolarHBondContact OG-CA 3.32Å; S764-N819 WeakPolarHBondContact OG-CB 3.34Å; S764-N819 PolarHBondContact OG-O 2.82Å; S764-N819 PolarHBondContact OG-OD1 2.74Å
765	D	95.9	Very high	96.4	Very high	16 Å²	16	16.2 Å²	16.2	9%	0.086	7%	0.068	C	C	.	.			trans	-153.1	103.2	-174.7	-177.4	-9.3	0	0	0	109.2	R767 Y768 N819 K822	D765-R767 PolarHBondContact O-N 2.83Å; D765-R767 WeakPolarHBondContact OD1-CB 3.24Å; D765-R767 VanDerWaalsContact OD1-CG 3.29Å; D765-R767 WeakPolarHBondContact OD1-CG 3.45Å; D765-R767 IonicContact OD1-CZ 3.23Å; D765-R767 PolarHBondContact OD1-N 2.87Å; D765-R767 IonicContact OD1-NE 3.15Å; D765-R767 PolarHBondContact OD1-NE 2.88Å; D765-R767 IonicContact OD1-NH2 2.93Å; D765-R767 IonicContact OD2-CZ 3.67Å; D765-R767 VanDerWaalsContact OD2-CZ 3.27Å; D765-R767 IonicContact OD2-NE 3.52Å; D765-R767 PolarHBondContact OD2-NE 3.46Å; D765-R767 VanDerWaalsContact OD2-NE 3.12Å; D765-R767 IonicContact OD2-NH2 2.7Å; D765-R767 PolarHBondContact OD2-NH2 3.38Å; D765-Y768 HydrophobicContact CB-CD2 3.85Å; D765-Y768 HydrophobicContact CB-CE2 4.1Å; D765-Y768 PolarHBondContact O-N 3.14Å; D765-Y768 VanDerWaalsContact OD2-CE2 3.3Å; D765-Y768 WeakPolarHBondContact OD2-CE2 3.45Å; D765-N819 PolarHBondContact N-OD1 2.83Å; D765-N819 PolarHBondContact O-OD1 3.04Å; D765-K822 IonicContact OD2-NZ 2.73Å; D765-K822 PolarHBondContact OD2-NZ 3.4Å
766	F	96.8	Very high	96.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.8	-175.8	-77.2	-79.1	0	0	0	114.2	L703 Y737 F740 V763 Y768 Y769 Y773 S774 L778 Y788 T791	L703-F766 HydrophobicContact CD1-CE1 4.3Å; L703-F766 HydrophobicContact CD1-CE2 4.17Å; L703-F766 HydrophobicContact CD1-CZ 3.98Å; Y737-F766 HydrophobicContact CD2-CZ 4.07Å; Y737-F766 HydrophobicContact CE2-CE1 4.41Å; Y737-F766 AromaticContact CE2-CZ 3.74Å; Y737-F766 HydrophobicContact CE2-CZ 3.74Å; F740-F766 HydrophobicContact CD2-CE2 4.08Å; F740-F766 HydrophobicContact CE1-CE2 4.35Å; F740-F766 HydrophobicContact CE2-CD2 4.5Å; F740-F766 AromaticContact CE2-CE2 3.69Å; F740-F766 HydrophobicContact CE2-CE2 3.69Å; F740-F766 AromaticContact CZ-CE2 3.85Å; F740-F766 HydrophobicContact CZ-CE2 3.85Å; V763-F766 HydrophobicContact CB-CE1 4.45Å; V763-F766 HydrophobicContact CB-CZ 4.48Å; V763-F766 HydrophobicContact CG1-CD1 3.89Å; V763-F766 HydrophobicContact CG1-CD2 4.36Å; V763-F766 HydrophobicContact CG1-CE1 3.83Å; V763-F766 HydrophobicContact CG1-CE2 4.33Å; V763-F766 HydrophobicContact CG1-CG 4.16Å; V763-F766 HydrophobicContact CG1-CZ 4.07Å; F766-Y768 VanDerWaalsContact C-N 3.31Å; F766-Y769 PolarHBondContact O-N 2.87Å; F766-Y773 HydrophobicContact CD1-CD1 4.44Å; F766-Y773 HydrophobicContact CD1-CE1 4.32Å; F766-Y773 HydrophobicContact CE1-CD1 4.28Å; F766-Y773 AromaticContact CE1-CE1 3.73Å; F766-Y773 HydrophobicContact CE1-CE1 3.73Å; F766-S774 PolarHBondContact O-OG 3.29Å; F766-L778 HydrophobicContact CB-CD1 3.69Å; F766-L778 HydrophobicContact CD2-CD1 4.14Å; F766-L778 HydrophobicContact CG-CD1 3.88Å; F766-Y788 HydrophobicContact CB-CD1 3.96Å; F766-Y788 HydrophobicContact CB-CE1 4.06Å; F766-T791 HydrophobicContact CD2-CG2 3.73Å; F766-T791 HydrophobicContact CE2-CG2 4.11Å
767	R	95.7	Very high	96.4	Very high	91 Å²	91	11.8 Å²	11.8	34%	0.343	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.7	170.2	-67	-178.4	-62.5	179.2	-5.9	112.9	M347 A348 G349 D765 Y769 F781 Y788	M347-R767 WeakPolarHBondContact CB-O 3.39Å; A348-R767 PolarHBondContact N-O 2.94Å; G349-R767 PolarHBondContact N-O 3.32Å; D765-R767 PolarHBondContact O-N 2.83Å; D765-R767 WeakPolarHBondContact OD1-CB 3.24Å; D765-R767 VanDerWaalsContact OD1-CG 3.29Å; D765-R767 WeakPolarHBondContact OD1-CG 3.45Å; D765-R767 IonicContact OD1-CZ 3.23Å; D765-R767 PolarHBondContact OD1-N 2.87Å; D765-R767 IonicContact OD1-NE 3.15Å; D765-R767 PolarHBondContact OD1-NE 2.88Å; D765-R767 IonicContact OD1-NH2 2.93Å; D765-R767 IonicContact OD2-CZ 3.67Å; D765-R767 VanDerWaalsContact OD2-CZ 3.27Å; D765-R767 IonicContact OD2-NE 3.52Å; D765-R767 PolarHBondContact OD2-NE 3.46Å; D765-R767 VanDerWaalsContact OD2-NE 3.12Å; D765-R767 IonicContact OD2-NH2 2.7Å; D765-R767 PolarHBondContact OD2-NH2 3.38Å; R767-Y769 VanDerWaalsContact C-N 3.33Å; R767-F781 HydrophobicContact CG-CD2 4.03Å; R767-F781 HydrophobicContact CG-CE2 4.13Å; R767-F781 HydrophobicContact CG-CG 4.43Å; R767-Y788 HydrophobicContact CG-CD1 3.82Å; R767-Y788 HydrophobicContact CG-CG 4.44Å
768	Y	95.1	Very high	96.3	Very high	60 Å²	60	11.8 Å²	11.8	24%	0.235	5%	0.051	C	C	.	.	S	Bend	trans	-86.7	-10.2	175.7	-61.2	-72.7	0	0	0	113.1	Y345 M347 D765 F766 V818 K822	Y345-Y768 WeakPolarHBondContact CE1-O 3.41Å; M347-Y768 HydrophobicContact SD-CD1 3.82Å; D765-Y768 HydrophobicContact CB-CD2 3.85Å; D765-Y768 HydrophobicContact CB-CE2 4.1Å; D765-Y768 PolarHBondContact O-N 3.14Å; D765-Y768 VanDerWaalsContact OD2-CE2 3.3Å; D765-Y768 WeakPolarHBondContact OD2-CE2 3.45Å; F766-Y768 VanDerWaalsContact C-N 3.31Å; Y768-V818 HydrophobicContact CD1-CG1 4Å; Y768-V818 HydrophobicContact CD1-CG2 4.44Å; Y768-V818 HydrophobicContact CD2-CG1 4.4Å; Y768-V818 HydrophobicContact CE1-CG2 4.38Å; Y768-V818 HydrophobicContact CG-CG1 3.83Å; Y768-K822 HydrophobicContact CD2-CD 4.38Å; Y768-K822 HydrophobicContact CE2-CD 3.54Å; Y768-K822 WeakPolarHBondContact OH-CE 3.49Å; Y768-K822 PolarHBondContact OH-NZ 3.47Å
769	Y	95.9	Very high	96.1	Very high	10 Å²	10	12 Å²	12	4%	0.039	5%	0.054	C	C	.	.	S	Bend	trans	-85.5	162.9	175.7	-153.1	-111	0	0	0	110.3	E295 A348 V763 F766 R767 Y773 N814 V815	E295-Y769 PolarHBondContact OE1-OH 3.32Å; A348-Y769 PolarHBondContact N-O 2.83Å; V763-Y769 HydrophobicContact CG2-CD2 4.06Å; V763-Y769 HydrophobicContact CG2-CE2 4.2Å; V763-Y769 HydrophobicContact CG2-CG 4.47Å; F766-Y769 PolarHBondContact O-N 2.87Å; R767-Y769 VanDerWaalsContact C-N 3.33Å; Y769-Y773 AromaticContact CD1-CD1 3.57Å; Y769-Y773 HydrophobicContact CD1-CD1 3.57Å; Y769-Y773 HydrophobicContact CD1-CE1 4.33Å; Y769-Y773 AromaticContact CD1-CG 3.77Å; Y769-Y773 HydrophobicContact CD1-CG 3.77Å; Y769-Y773 AromaticContact CE1-CD1 3.58Å; Y769-Y773 HydrophobicContact CE1-CD1 3.58Å; Y769-Y773 AromaticContact CE1-CD2 3.86Å; Y769-Y773 HydrophobicContact CE1-CD2 3.86Å; Y769-Y773 HydrophobicContact CE1-CE1 4.22Å; Y769-Y773 HydrophobicContact CE1-CE2 4.43Å; Y769-Y773 AromaticContact CE1-CG 3.4Å; Y769-Y773 HydrophobicContact CE1-CG 3.4Å; Y769-N814 WeakPolarHBondContact CE2-O 3.5Å; Y769-N814 PolarHBondContact OH-ND2 2.81Å; Y769-N814 PolarHBondContact OH-OD1 2.8Å; Y769-V815 HydrophobicContact CD2-CG2 4.37Å; Y769-V815 HydrophobicContact CE2-CG2 3.75Å
770	T	94.4	Very high	95.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-67.7	144.7	-165.8	-177.8	0	0	0	0	113.6	W290 L291 E295 Y345 S346 A772 Y773 S774	W290-T770 HydrophobicContact CH2-CG2 4.18Å; W290-T770 HydrophobicContact CZ3-CG2 4.12Å; L291-T770 HydrophobicContact CD1-CG2 4.47Å; L291-T770 WeakPolarHBondContact CD1-OG1 3.14Å; E295-T770 HydrophobicContact CG-CG2 3.61Å; Y345-T770 PolarHBondContact OH-N 3.21Å; Y345-T770 VanDerWaalsContact OH-N 3.15Å; S346-T770 CarbonylContact O-C 3.55Å; S346-T770 VanDerWaalsContact O-CA 3.29Å; S346-T770 WeakPolarHBondContact O-CA 3.38Å; T770-A772 PolarHBondContact O-N 3.02Å; T770-Y773 PolarHBondContact O-N 3.19Å; T770-S774 PolarHBondContact O-N 3.34Å; T770-S774 PolarHBondContact O-OG 2.92Å
771	T	95.1	Very high	95.7	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.018	8%	0.076	C	C	.	.	H	α-helix	trans	-52.2	-49	179.6	51.8	0	0	0	0	112.3	S346 S356 Y773 E775	S346-T771 PolarHBondContact O-N 2.77Å; S346-T771 PolarHBondContact OG-OG1 2.72Å; S346-T771 VanDerWaalsContact OG-OG1 3.08Å; S356-T771 PolarHBondContact OG-OG1 3.09Å; T771-Y773 VanDerWaalsContact C-N 3.25Å; T771-Y773 PolarHBondContact O-N 3.26Å; T771-E775 WeakPolarHBondContact CG2-OE1 3.46Å; T771-E775 WeakPolarHBondContact O-CB 3.31Å; T771-E775 VanDerWaalsContact O-CG 3.26Å; T771-E775 WeakPolarHBondContact O-CG 3.38Å; T771-E775 PolarHBondContact O-N 3.27Å
772	A	93.8	Very high	95.5	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-62.7	-29.5	-176.5	0	0	0	0	0	113.5	L291 E295 I296 Q406 T770 R776	L291-A772 HydrophobicContact CD1-CB 3.54Å; L291-A772 HydrophobicContact CD2-CB 4.38Å; L291-A772 HydrophobicContact CG-CB 4.08Å; E295-A772 HydrophobicContact CB-CB 3.86Å; E295-A772 HydrophobicContact CG-CB 4.46Å; I296-A772 HydrophobicContact CD1-CB 4.1Å; I296-A772 HydrophobicContact CG1-CB 4.07Å; Q406-A772 PolarHBondContact NE2-O 3.43Å; T770-A772 PolarHBondContact O-N 3.02Å; A772-R776 WeakPolarHBondContact O-CB 3.45Å
773	Y	94.7	Very high	95.2	Very high	26 Å²	26	27 Å²	27	10%	0.102	13%	0.125	C	C	.	.	H	α-helix	trans	-86	-59.6	176	-175	-79.3	0	0	0	111.3	E295 P655 Y737 F766 Y769 T770 T771 E775 R776 Y777	E295-Y773 WeakPolarHBondContact OE2-CD2 3.16Å; P655-Y773 WeakPolarHBondContact CD-OH 3.41Å; Y737-Y773 WeakPolarHBondContact CD2-OH 3.17Å; F766-Y773 HydrophobicContact CD1-CD1 4.44Å; F766-Y773 HydrophobicContact CD1-CE1 4.32Å; F766-Y773 HydrophobicContact CE1-CD1 4.28Å; F766-Y773 AromaticContact CE1-CE1 3.73Å; F766-Y773 HydrophobicContact CE1-CE1 3.73Å; Y769-Y773 AromaticContact CD1-CD1 3.57Å; Y769-Y773 HydrophobicContact CD1-CD1 3.57Å; Y769-Y773 HydrophobicContact CD1-CE1 4.33Å; Y769-Y773 AromaticContact CD1-CG 3.77Å; Y769-Y773 HydrophobicContact CD1-CG 3.77Å; Y769-Y773 AromaticContact CE1-CD1 3.58Å; Y769-Y773 HydrophobicContact CE1-CD1 3.58Å; Y769-Y773 AromaticContact CE1-CD2 3.86Å; Y769-Y773 HydrophobicContact CE1-CD2 3.86Å; Y769-Y773 HydrophobicContact CE1-CE1 4.22Å; Y769-Y773 HydrophobicContact CE1-CE2 4.43Å; Y769-Y773 AromaticContact CE1-CG 3.4Å; Y769-Y773 HydrophobicContact CE1-CG 3.4Å; T770-Y773 PolarHBondContact O-N 3.19Å; T771-Y773 VanDerWaalsContact C-N 3.25Å; T771-Y773 PolarHBondContact O-N 3.26Å; Y773-E775 VanDerWaalsContact C-N 3.3Å; Y773-E775 PolarHBondContact O-N 3.13Å; Y773-R776 WeakPolarHBondContact O-CB 3.02Å; Y773-R776 PolarHBondContact O-N 3.37Å; Y773-Y777 AromaticContact CD1-CD2 3.81Å; Y773-Y777 HydrophobicContact CD1-CD2 3.81Å; Y773-Y777 AromaticContact CD1-CE2 3.99Å; Y773-Y777 HydrophobicContact CD1-CE2 3.99Å; Y773-Y777 HydrophobicContact CD2-CD2 4.47Å; Y773-Y777 AromaticContact CD2-CE2 3.82Å; Y773-Y777 HydrophobicContact CD2-CE2 3.82Å; Y773-Y777 AromaticContact CE1-CD2 3.61Å; Y773-Y777 HydrophobicContact CE1-CD2 3.61Å; Y773-Y777 AromaticContact CE1-CE2 3.77Å; Y773-Y777 HydrophobicContact CE1-CE2 3.77Å; Y773-Y777 HydrophobicContact CE2-CD2 4.33Å; Y773-Y777 AromaticContact CE2-CE2 3.62Å; Y773-Y777 HydrophobicContact CE2-CE2 3.62Å; Y773-Y777 HydrophobicContact CG-CD2 4.22Å; Y773-Y777 AromaticContact CG-CE2 3.99Å; Y773-Y777 HydrophobicContact CG-CE2 3.99Å; Y773-Y777 AromaticContact CZ-CD2 3.9Å; Y773-Y777 AromaticContact CZ-CE2 3.6Å; Y773-Y777 WeakPolarHBondContact O-CD2 3.26Å; Y773-Y777 PolarHBondContact O-N 2.57Å
774	S	96.4	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-42.1	-171.9	-65.9	0	0	0	0	111.3	F766 T770 R776 Y777 L778	F766-S774 PolarHBondContact O-OG 3.29Å; T770-S774 PolarHBondContact O-N 3.34Å; T770-S774 PolarHBondContact O-OG 2.92Å; S774-R776 PolarHBondContact O-N 2.83Å; S774-Y777 PolarHBondContact O-N 3.17Å; S774-L778 VanDerWaalsContact O-CB 3.3Å; S774-L778 WeakPolarHBondContact O-CB 3.23Å; S774-L778 PolarHBondContact O-N 3.04Å
775	E	96	Very high	95	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-75.8	-24.1	-176.5	-56.2	-179.8	-170.1	0	0	113.4	A348 R404 I405 T771 Y773 Y777 G779	A348-E775 HydrophobicContact CB-CG 4.27Å; R404-E775 WeakPolarHBondContact CD-OE2 3.19Å; R404-E775 VanDerWaalsContact CG-OE2 3.23Å; R404-E775 WeakPolarHBondContact CG-OE2 3.23Å; R404-E775 IonicContact CZ-OE1 2.86Å; R404-E775 IonicContact CZ-OE2 3.76Å; R404-E775 IonicContact NE-OE1 3.61Å; R404-E775 PolarHBondContact NE-OE1 3Å; R404-E775 IonicContact NE-OE2 3.72Å; R404-E775 PolarHBondContact NE-OE2 2.74Å; R404-E775 IonicContact NH2-OE1 2.62Å; R404-E775 PolarHBondContact NH2-OE1 3Å; R404-E775 IonicContact NH2-OE2 3.11Å; I405-E775 HydrophobicContact CG2-CB 4.3Å; T771-E775 WeakPolarHBondContact CG2-OE1 3.46Å; T771-E775 WeakPolarHBondContact O-CB 3.31Å; T771-E775 VanDerWaalsContact O-CG 3.26Å; T771-E775 WeakPolarHBondContact O-CG 3.38Å; T771-E775 PolarHBondContact O-N 3.27Å; Y773-E775 VanDerWaalsContact C-N 3.3Å; Y773-E775 PolarHBondContact O-N 3.13Å; E775-Y777 VanDerWaalsContact C-N 3.28Å; E775-Y777 PolarHBondContact O-N 2.85Å; E775-G779 WeakPolarHBondContact CA-O 3.35Å; E775-G779 WeakPolarHBondContact O-CA 3.12Å; E775-G779 PolarHBondContact O-N 3.26Å
776	R	95.3	Very high	94.9	Very high	6 Å²	6	34.1 Å²	34.1	2%	0.023	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-40.4	170.6	-177.5	-172.1	-70.1	147.1	-0.3	111.4	E295 Q406 W433 Y700 A772 Y773 S774	E295-R776 PolarHBondContact O-NH2 3.23Å; Q406-R776 HydrophobicContact CB-CB 4.49Å; Q406-R776 HydrophobicContact CB-CG 4.15Å; W433-R776 HydrophobicContact CB-CG 3.78Å; W433-R776 HydrophobicContact CG-CG 3.92Å; Y700-R776 WeakPolarHBondContact CE2-O 3.25Å; A772-R776 WeakPolarHBondContact O-CB 3.45Å; Y773-R776 WeakPolarHBondContact O-CB 3.02Å; Y773-R776 PolarHBondContact O-N 3.37Å; S774-R776 PolarHBondContact O-N 2.83Å
777	Y	96.2	Very high	94.8	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-101	-25.6	-172.2	-57.6	-60.8	0	0	0	114	W433 P655 Y700 K701 Y773 S774 E775	W433-Y777 HydrophobicContact CD2-CD1 4.14Å; W433-Y777 AromaticContact CD2-CE1 3.91Å; W433-Y777 HydrophobicContact CD2-CE1 3.91Å; W433-Y777 AromaticContact CE2-CE1 3.79Å; W433-Y777 AromaticContact CE3-CD1 3.8Å; W433-Y777 HydrophobicContact CE3-CD1 3.8Å; W433-Y777 HydrophobicContact CE3-CE1 4.01Å; W433-Y777 HydrophobicContact CH2-CD1 4.02Å; W433-Y777 AromaticContact CH2-CE1 3.82Å; W433-Y777 HydrophobicContact CH2-CE1 3.82Å; W433-Y777 HydrophobicContact CZ2-CD1 4.38Å; W433-Y777 AromaticContact CZ2-CE1 3.75Å; W433-Y777 HydrophobicContact CZ2-CE1 3.75Å; W433-Y777 AromaticContact CZ3-CD1 3.74Å; W433-Y777 HydrophobicContact CZ3-CD1 3.74Å; W433-Y777 AromaticContact CZ3-CE1 3.97Å; W433-Y777 HydrophobicContact CZ3-CE1 3.97Å; P655-Y777 HydrophobicContact CB-CD1 3.87Å; P655-Y777 HydrophobicContact CB-CE1 3.35Å; P655-Y777 HydrophobicContact CB-CE2 4.2Å; P655-Y777 HydrophobicContact CB-CG 4.47Å; P655-Y777 HydrophobicContact CG-CD1 3.84Å; P655-Y777 HydrophobicContact CG-CD2 4.05Å; P655-Y777 HydrophobicContact CG-CE1 3.77Å; P655-Y777 HydrophobicContact CG-CE2 4Å; P655-Y777 HydrophobicContact CG-CG 3.98Å; Y700-Y777 WeakPolarHBondContact CD2-O 3.45Å; K701-Y777 WeakPolarHBondContact CA-O 3.39Å; K701-Y777 PolarHBondContact N-O 3.5Å; Y773-Y777 AromaticContact CD1-CD2 3.81Å; Y773-Y777 HydrophobicContact CD1-CD2 3.81Å; Y773-Y777 AromaticContact CD1-CE2 3.99Å; Y773-Y777 HydrophobicContact CD1-CE2 3.99Å; Y773-Y777 HydrophobicContact CD2-CD2 4.47Å; Y773-Y777 AromaticContact CD2-CE2 3.82Å; Y773-Y777 HydrophobicContact CD2-CE2 3.82Å; Y773-Y777 AromaticContact CE1-CD2 3.61Å; Y773-Y777 HydrophobicContact CE1-CD2 3.61Å; Y773-Y777 AromaticContact CE1-CE2 3.77Å; Y773-Y777 HydrophobicContact CE1-CE2 3.77Å; Y773-Y777 HydrophobicContact CE2-CD2 4.33Å; Y773-Y777 AromaticContact CE2-CE2 3.62Å; Y773-Y777 HydrophobicContact CE2-CE2 3.62Å; Y773-Y777 HydrophobicContact CG-CD2 4.22Å; Y773-Y777 AromaticContact CG-CE2 3.99Å; Y773-Y777 HydrophobicContact CG-CE2 3.99Å; Y773-Y777 AromaticContact CZ-CD2 3.9Å; Y773-Y777 AromaticContact CZ-CE2 3.6Å; Y773-Y777 WeakPolarHBondContact O-CD2 3.26Å; Y773-Y777 PolarHBondContact O-N 2.57Å; S774-Y777 PolarHBondContact O-N 3.17Å; E775-Y777 VanDerWaalsContact C-N 3.28Å; E775-Y777 PolarHBondContact O-N 2.85Å
778	L	96.8	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-117.1	-13.1	-175.5	-58.6	173.1	0	0	0	113.3	L703 F766 S774 A787 Y788 T791	L703-L778 HydrophobicContact CB-CD2 4.27Å; L703-L778 HydrophobicContact CD1-CD1 4.3Å; L703-L778 HydrophobicContact CD1-CD2 3.89Å; L703-L778 HydrophobicContact CD1-CG 4.02Å; L703-L778 HydrophobicContact CG-CD2 3.82Å; L703-L778 HydrophobicContact CG-CG 4.48Å; F766-L778 HydrophobicContact CB-CD1 3.69Å; F766-L778 HydrophobicContact CD2-CD1 4.14Å; F766-L778 HydrophobicContact CG-CD1 3.88Å; S774-L778 VanDerWaalsContact O-CB 3.3Å; S774-L778 WeakPolarHBondContact O-CB 3.23Å; S774-L778 PolarHBondContact O-N 3.04Å; L778-A787 HydrophobicContact CB-CB 4.27Å; L778-A787 HydrophobicContact CD2-CB 4.39Å; L778-A787 WeakPolarHBondContact O-CB 3.43Å; L778-Y788 HydrophobicContact CB-CD2 4.14Å; L778-Y788 HydrophobicContact CB-CE2 3.66Å; L778-Y788 HydrophobicContact CD1-CD1 3.92Å; L778-Y788 HydrophobicContact CD1-CD2 4.4Å; L778-Y788 HydrophobicContact CD1-CE1 3.91Å; L778-Y788 HydrophobicContact CD1-CE2 4.36Å; L778-Y788 HydrophobicContact CD1-CG 4.17Å; L778-T791 HydrophobicContact CD1-CG2 3.9Å; L778-T791 HydrophobicContact CD2-CG2 3.94Å
779	G	95	Very high	94.8	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	16%	0.163	C	C	.	.			trans	78.8	-179.1	-167.2	0	0	0	0	0	112.4	E775 Y788	E775-G779 WeakPolarHBondContact CA-O 3.35Å; E775-G779 WeakPolarHBondContact O-CA 3.12Å; E775-G779 PolarHBondContact O-N 3.26Å; G779-Y788 VanDerWaalsContact O-CE2 3.23Å; G779-Y788 WeakPolarHBondContact O-CE2 3.41Å; G779-Y788 PolarHBondContact O-OH 3.22Å
780	R	94.1	Very high	94.6	Very high	66 Å²	66	33.4 Å²	33.4	25%	0.249	17%	0.173	C	C	.	.			trans	-69.6	135.8	176.8	-56.7	-167.5	-60.8	174.8	6.7	110	I405 I782 D783 D784	I405-R780 HydrophobicContact CG2-CG 3.6Å; R780-I782 HydrophobicContact CB-CG2 4.1Å; R780-I782 PolarHBondContact O-N 2.86Å; R780-D783 HydrophobicContact CB-CB 4.39Å; R780-D783 WeakPolarHBondContact CB-OD2 3.39Å; R780-D783 IonicContact CZ-OD1 3.61Å; R780-D783 IonicContact CZ-OD2 3.24Å; R780-D783 VanDerWaalsContact CZ-OD2 3.24Å; R780-D783 IonicContact NE-OD1 2.71Å; R780-D783 IonicContact NE-OD2 3.87Å; R780-D783 PolarHBondContact NE-OD2 2.88Å; R780-D783 VanDerWaalsContact NH2-CG 3.27Å; R780-D783 IonicContact NH2-OD1 2.76Å; R780-D783 PolarHBondContact NH2-OD1 3.15Å; R780-D783 IonicContact NH2-OD2 2.96Å; R780-D783 PolarHBondContact NH2-OD2 3.1Å; R780-D783 PolarHBondContact O-N 3.47Å; R780-D784 PolarHBondContact O-N 3.25Å; R780-D784 VanDerWaalsContact O-N 3.08Å
781	F	94.5	Very high	94.6	Very high	48 Å²	48	33.5 Å²	33.5	21%	0.211	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.2	178.2	174.3	-110.9	0	0	0	112.6	A348 R767 D783 D784 P785 Y788	A348-F781 WeakPolarHBondContact O-CB 3.25Å; R767-F781 HydrophobicContact CG-CD2 4.03Å; R767-F781 HydrophobicContact CG-CE2 4.13Å; R767-F781 HydrophobicContact CG-CG 4.43Å; F781-D783 VanDerWaalsContact C-N 3.26Å; F781-D783 PolarHBondContact O-N 3.04Å; F781-D784 CarbonylContact O-C 3.53Å; F781-D784 PolarHBondContact O-N 2.82Å; F781-P785 HydrophobicContact CD2-CB 4.34Å; F781-P785 HydrophobicContact CE2-CB 3.85Å; F781-P785 HydrophobicContact CZ-CB 4.3Å; F781-P785 WeakPolarHBondContact O-CA 3.38Å; F781-P785 VanDerWaalsContact O-CD 3.23Å; F781-P785 WeakPolarHBondContact O-CD 3.37Å; F781-P785 VanDerWaalsContact O-CG 3.24Å; F781-P785 WeakPolarHBondContact O-CG 3.46Å; F781-P785 VanDerWaalsContact O-N 3.12Å; F781-Y788 VanDerWaalsContact CA-CE2 3.46Å; F781-Y788 HydrophobicContact CB-CD2 4.09Å; F781-Y788 HydrophobicContact CB-CE1 4.33Å; F781-Y788 HydrophobicContact CB-CE2 3.84Å; F781-Y788 HydrophobicContact CB-CG 4.47Å; F781-Y788 HydrophobicContact CD2-CD1 4.18Å; F781-Y788 AromaticContact CD2-CD2 3.75Å; F781-Y788 HydrophobicContact CD2-CD2 3.75Å; F781-Y788 HydrophobicContact CD2-CE2 4.37Å; F781-Y788 AromaticContact CD2-CG 3.65Å; F781-Y788 HydrophobicContact CD2-CG 3.65Å; F781-Y788 HydrophobicContact CE2-CG 4.46Å; F781-Y788 HydrophobicContact CG-CD2 4.43Å
782	I	92.6	Very high	94.5	Very high	99 Å²	99	35.6 Å²	35.6	51%	0.508	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.7	179	-165.4	71.6	0	0	0	113.3	L353 R780	L353-I782 HydrophobicContact CD2-CG2 4.11Å; R780-I782 HydrophobicContact CB-CG2 4.1Å; R780-I782 PolarHBondContact O-N 2.86Å
783	D	93	Very high	94.4	Very high	102 Å²	102	37 Å²	37	55%	0.545	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-33.3	-178.2	-61.1	-28.7	0	0	0	112.2	R780 F781	R780-D783 HydrophobicContact CB-CB 4.39Å; R780-D783 WeakPolarHBondContact CB-OD2 3.39Å; R780-D783 IonicContact CZ-OD1 3.61Å; R780-D783 IonicContact CZ-OD2 3.24Å; R780-D783 VanDerWaalsContact CZ-OD2 3.24Å; R780-D783 IonicContact NE-OD1 2.71Å; R780-D783 IonicContact NE-OD2 3.87Å; R780-D783 PolarHBondContact NE-OD2 2.88Å; R780-D783 VanDerWaalsContact NH2-CG 3.27Å; R780-D783 IonicContact NH2-OD1 2.76Å; R780-D783 PolarHBondContact NH2-OD1 3.15Å; R780-D783 IonicContact NH2-OD2 2.96Å; R780-D783 PolarHBondContact NH2-OD2 3.1Å; R780-D783 PolarHBondContact O-N 3.47Å; F781-D783 VanDerWaalsContact C-N 3.26Å; F781-D783 PolarHBondContact O-N 3.04Å
784	D	92.8	Very high	93.9	Very high	31 Å²	31	41.3 Å²	41.3	17%	0.166	21%	0.214	C	C	.	.			trans	-142.8	72	-176.9	-169.5	-10.9	0	0	0	111.5	K701 R780 F781 D786 A787	K701-D784 IonicContact NZ-OD2 2.69Å; K701-D784 PolarHBondContact NZ-OD2 3.06Å; R780-D784 PolarHBondContact O-N 3.25Å; R780-D784 VanDerWaalsContact O-N 3.08Å; F781-D784 CarbonylContact O-C 3.53Å; F781-D784 PolarHBondContact O-N 2.82Å; D784-D786 PolarHBondContact O-N 3.08Å; D784-A787 HydrophobicContact CB-CB 4.33Å; D784-A787 PolarHBondContact O-N 2.73Å; D784-A787 PolarHBondContact OD1-N 3.27Å
785	P	94.5	Very high	93.7	Very high	55 Å²	55	45.7 Å²	45.7	36%	0.357	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-26	177.4	-20.8	30.4	0	0	0	113.3	F781 Y788 S789	F781-P785 HydrophobicContact CD2-CB 4.34Å; F781-P785 HydrophobicContact CE2-CB 3.85Å; F781-P785 HydrophobicContact CZ-CB 4.3Å; F781-P785 WeakPolarHBondContact O-CA 3.38Å; F781-P785 VanDerWaalsContact O-CD 3.23Å; F781-P785 WeakPolarHBondContact O-CD 3.37Å; F781-P785 VanDerWaalsContact O-CG 3.24Å; F781-P785 WeakPolarHBondContact O-CG 3.46Å; F781-P785 VanDerWaalsContact O-N 3.12Å; P785-Y788 PolarHBondContact O-N 3.34Å; P785-S789 PolarHBondContact O-N 3.33Å; P785-S789 PolarHBondContact O-OG 2.82Å
786	D	94.6	Very high	93.5	Very high	107 Å²	107	46.9 Å²	46.9	57%	0.572	25%	0.246	S	C	*	.	H	α-helix	trans	-67.6	-36.2	-179.4	-70.7	-22	0	0	0	111.4	D784 Y788 S789 R790	D784-D786 PolarHBondContact O-N 3.08Å; D786-Y788 VanDerWaalsContact C-N 3.29Å; D786-Y788 PolarHBondContact O-N 3.49Å; D786-S789 PolarHBondContact O-N 3.16Å; D786-R790 WeakPolarHBondContact O-CG 3.48Å; D786-R790 PolarHBondContact O-N 3.06Å; D786-R790 PolarHBondContact O-NH1 2.86Å
787	A	94.9	Very high	93.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.5	-41.8	173.3	0	0	0	0	0	112.5	K701 L778 D784 R790 T791	K701-A787 HydrophobicContact CB-CB 4.45Å; L778-A787 HydrophobicContact CB-CB 4.27Å; L778-A787 HydrophobicContact CD2-CB 4.39Å; L778-A787 WeakPolarHBondContact O-CB 3.43Å; D784-A787 HydrophobicContact CB-CB 4.33Å; D784-A787 PolarHBondContact O-N 2.73Å; D784-A787 PolarHBondContact OD1-N 3.27Å; A787-R790 VanDerWaalsContact CA-CZ 3.5Å; A787-R790 VanDerWaalsContact CA-NH2 3.26Å; A787-T791 WeakPolarHBondContact O-CG2 3.21Å
788	Y	96.3	Very high	93.2	Very high	6 Å²	6	56.1 Å²	56.1	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-71.6	-41.6	175.7	-72.1	-104.3	0	0	0	111.4	A348 F766 R767 L778 G779 F781 P785 D786 R790 T791	A348-Y788 HydrophobicContact CB-CE1 4.03Å; F766-Y788 HydrophobicContact CB-CD1 3.96Å; F766-Y788 HydrophobicContact CB-CE1 4.06Å; R767-Y788 HydrophobicContact CG-CD1 3.82Å; R767-Y788 HydrophobicContact CG-CG 4.44Å; L778-Y788 HydrophobicContact CB-CD2 4.14Å; L778-Y788 HydrophobicContact CB-CE2 3.66Å; L778-Y788 HydrophobicContact CD1-CD1 3.92Å; L778-Y788 HydrophobicContact CD1-CD2 4.4Å; L778-Y788 HydrophobicContact CD1-CE1 3.91Å; L778-Y788 HydrophobicContact CD1-CE2 4.36Å; L778-Y788 HydrophobicContact CD1-CG 4.17Å; G779-Y788 VanDerWaalsContact O-CE2 3.23Å; G779-Y788 WeakPolarHBondContact O-CE2 3.41Å; G779-Y788 PolarHBondContact O-OH 3.22Å; F781-Y788 VanDerWaalsContact CA-CE2 3.46Å; F781-Y788 HydrophobicContact CB-CD2 4.09Å; F781-Y788 HydrophobicContact CB-CE1 4.33Å; F781-Y788 HydrophobicContact CB-CE2 3.84Å; F781-Y788 HydrophobicContact CB-CG 4.47Å; F781-Y788 HydrophobicContact CD2-CD1 4.18Å; F781-Y788 AromaticContact CD2-CD2 3.75Å; F781-Y788 HydrophobicContact CD2-CD2 3.75Å; F781-Y788 HydrophobicContact CD2-CE2 4.37Å; F781-Y788 AromaticContact CD2-CG 3.65Å; F781-Y788 HydrophobicContact CD2-CG 3.65Å; F781-Y788 HydrophobicContact CE2-CG 4.46Å; F781-Y788 HydrophobicContact CG-CD2 4.43Å; P785-Y788 PolarHBondContact O-N 3.34Å; D786-Y788 VanDerWaalsContact C-N 3.29Å; D786-Y788 PolarHBondContact O-N 3.49Å; Y788-R790 PolarHBondContact O-N 2.94Å; Y788-T791 WeakPolarHBondContact O-CB 3.32Å; Y788-T791 PolarHBondContact O-N 3.08Å; Y788-T791 PolarHBondContact O-OG1 2.77Å
789	S	93.5	Very high	93	Very high	75 Å²	75	56.1 Å²	56.1	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-31.4	178.6	-57.8	0	0	0	0	112.4	P785 D786 T791 A792	P785-S789 PolarHBondContact O-N 3.33Å; P785-S789 PolarHBondContact O-OG 2.82Å; D786-S789 PolarHBondContact O-N 3.16Å; S789-T791 PolarHBondContact O-N 2.94Å; S789-A792 PolarHBondContact O-N 2.91Å
790	R	92.1	Very high	92.7	Very high	66 Å²	66	58.7 Å²	58.7	25%	0.249	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.7	173.5	-75.5	-171.4	-65.2	-84	7.9	113.7	K701 D786 A787 Y788 A792	K701-R790 PolarHBondContact O-NE 2.7Å; K701-R790 VanDerWaalsContact O-NE 3.16Å; K701-R790 PolarHBondContact O-NH2 2.69Å; D786-R790 WeakPolarHBondContact O-CG 3.48Å; D786-R790 PolarHBondContact O-N 3.06Å; D786-R790 PolarHBondContact O-NH1 2.86Å; A787-R790 VanDerWaalsContact CA-CZ 3.5Å; A787-R790 VanDerWaalsContact CA-NH2 3.26Å; Y788-R790 PolarHBondContact O-N 2.94Å; R790-A792 VanDerWaalsContact C-N 3.32Å
791	T	95.4	Very high	92.3	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.9	177.6	74.1	0	0	0	0	113.3	L703 F740 H744 F766 L778 A787 Y788 S789	L703-T791 HydrophobicContact CB-CG2 4.05Å; F740-T791 VanDerWaalsContact CE2-O 3.25Å; F740-T791 WeakPolarHBondContact CE2-O 3.48Å; H744-T791 PolarHBondContact CE1-O 3.02Å; H744-T791 PolarHBondContact NE2-O 3.36Å; F766-T791 HydrophobicContact CD2-CG2 3.73Å; F766-T791 HydrophobicContact CE2-CG2 4.11Å; L778-T791 HydrophobicContact CD1-CG2 3.9Å; L778-T791 HydrophobicContact CD2-CG2 3.94Å; A787-T791 WeakPolarHBondContact O-CG2 3.21Å; Y788-T791 WeakPolarHBondContact O-CB 3.32Å; Y788-T791 PolarHBondContact O-N 3.08Å; Y788-T791 PolarHBondContact O-OG1 2.77Å; S789-T791 PolarHBondContact O-N 2.94Å
792	A	92.9	Very high	92.2	Very high	47 Å²	47	59.3 Å²	59.3	39%	0.388	33%	0.326	S	S	.	.	S	Bend	trans	-69.3	146.5	176.1	0	0	0	0	0	111.3	H744 S789 R790 R794	H744-A792 PolarHBondContact CE1-O 3.27Å; S789-A792 PolarHBondContact O-N 2.91Å; R790-A792 VanDerWaalsContact C-N 3.32Å; A792-R794 PolarHBondContact O-N 3.46Å
793	I	91.6	Very high	92.3	Very high	32 Å²	32	54.9 Å²	54.9	16%	0.164	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.6	129.9	172.3	54.4	163.5	0	0	0	110.4	T747 P796 L823 L827	T747-I793 HydrophobicContact CG2-CB 4.27Å; T747-I793 HydrophobicContact CG2-CD1 4.44Å; I793-P796 HydrophobicContact CD1-CB 4.06Å; I793-L823 HydrophobicContact CD1-CD1 3.59Å; I793-L823 HydrophobicContact CG1-CD1 4.41Å; I793-L827 HydrophobicContact CD1-CD2 4.06Å
794	R	83.5	Confident	92.4	Very high	116 Å²	116	50.1 Å²	50.1	44%	0.438	28%	0.28	S	S	.	.	S	Bend	trans	-98.8	137.3	177	-61.6	-177.2	-176.6	-178.7	-0	109.3	T747 A792	T747-R794 WeakPolarHBondContact CB-O 3.35Å; T747-R794 PolarHBondContact OG1-O 2.78Å; A792-R794 PolarHBondContact O-N 3.46Å
795	N	91.7	Very high	92.7	Very high	92 Å²	92	48.7 Å²	48.7	49%	0.492	27%	0.272	S	S	.	.			trans	56	58.8	177.1	-53.2	-47.9	0	0	0	113.6	K797 N798	N795-K797 PolarHBondContact O-N 3.35Å; N795-N798 WeakPolarHBondContact CB-ND2 3.43Å; N795-N798 WeakPolarHBondContact O-CB 3.48Å; N795-N798 PolarHBondContact O-N 2.82Å
796	P	93	Very high	92.9	Very high	27 Å²	27	46 Å²	46	18%	0.175	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-50.3	-34.4	179.1	19.5	-32.8	0	0	0	113.2	I793 N798 M799 L827 A830 V832	I793-P796 HydrophobicContact CD1-CB 4.06Å; P796-N798 PolarHBondContact O-N 2.89Å; P796-M799 VanDerWaalsContact O-CB 3.3Å; P796-M799 WeakPolarHBondContact O-CB 3.24Å; P796-M799 PolarHBondContact O-N 2.88Å; P796-L827 HydrophobicContact CB-CD2 3.95Å; P796-A830 HydrophobicContact CB-CB 3.63Å; P796-A830 HydrophobicContact CG-CB 3.55Å; P796-V832 VanDerWaalsContact O-CG2 3.31Å; P796-V832 WeakPolarHBondContact O-CG2 3.23Å
797	K	92.6	Very high	93.1	Very high	144 Å²	144	41 Å²	41	63%	0.626	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-50.7	-29.3	175.5	-64.9	-166.7	172.8	-170.7	0	114.5	N795 M799 A800 A830	N795-K797 PolarHBondContact O-N 3.35Å; K797-M799 PolarHBondContact O-N 3.16Å; K797-A800 VanDerWaalsContact O-CB 3.26Å; K797-A800 WeakPolarHBondContact O-CB 3.18Å; K797-A800 PolarHBondContact O-N 3.17Å; K797-A830 HydrophobicContact CG-CB 3.94Å; K797-A830 WeakPolarHBondContact CG-O 3.14Å
798	N	92.2	Very high	93.2	Very high	60 Å²	60	41 Å²	41	32%	0.321	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-62.7	-22.4	178.1	-71	-11.9	0	0	0	112.8	T747 N795 P796	T747-N798 WeakPolarHBondContact O-CB 2.87Å; T747-N798 PolarHBondContact O-ND2 2.86Å; N795-N798 WeakPolarHBondContact CB-ND2 3.43Å; N795-N798 WeakPolarHBondContact O-CB 3.48Å; N795-N798 PolarHBondContact O-N 2.82Å; P796-N798 PolarHBondContact O-N 2.89Å
799	M	91.7	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-79.9	-13.9	176.8	-166.6	-179.1	-73.2	0	0	113	L746 T747 P796 K797 S801 K802 F804 L827 V832	L746-M799 HydrophobicContact CB-CE 3.42Å; L746-M799 VanDerWaalsContact CB-CE 3.42Å; L746-M799 HydrophobicContact CB-CG 4.17Å; L746-M799 HydrophobicContact CB-SD 4.5Å; L746-M799 HydrophobicContact CD1-CE 3.78Å; L746-M799 HydrophobicContact CD1-CG 4.23Å; L746-M799 HydrophobicContact CD1-SD 4.23Å; L746-M799 HydrophobicContact CG-CE 4.26Å; T747-M799 HydrophobicContact CG2-CB 4.34Å; T747-M799 HydrophobicContact CG2-CE 3.6Å; P796-M799 VanDerWaalsContact O-CB 3.3Å; P796-M799 WeakPolarHBondContact O-CB 3.24Å; P796-M799 PolarHBondContact O-N 2.88Å; K797-M799 PolarHBondContact O-N 3.16Å; M799-S801 PolarHBondContact O-N 3.01Å; M799-S801 VanDerWaalsContact O-N 3.11Å; M799-K802 HydrophobicContact CG-CB 4.39Å; M799-K802 WeakPolarHBondContact O-CA 3.19Å; M799-K802 VanDerWaalsContact O-CB 3.32Å; M799-K802 WeakPolarHBondContact O-CB 3.39Å; M799-K802 PolarHBondContact O-N 2.91Å; M799-F804 HydrophobicContact CE-CD2 4.34Å; M799-F804 HydrophobicContact CE-CE2 4.39Å; M799-F804 HydrophobicContact CE-CG 4.49Å; M799-F804 HydrophobicContact CG-CB 4.34Å; M799-F804 HydrophobicContact SD-CB 3.87Å; M799-F804 HydrophobicContact SD-CD1 3.71Å; M799-F804 HydrophobicContact SD-CD2 4.01Å; M799-F804 HydrophobicContact SD-CE1 4.22Å; M799-F804 HydrophobicContact SD-CE2 4.47Å; M799-F804 HydrophobicContact SD-CG 3.6Å; M799-F804 VanDerWaalsContact SD-CG 3.6Å; M799-L827 HydrophobicContact CE-CD2 4.34Å; M799-L827 HydrophobicContact SD-CD1 3.98Å; M799-L827 HydrophobicContact SD-CD2 3.75Å; M799-V832 HydrophobicContact CB-CG1 4Å; M799-V832 HydrophobicContact CB-CG2 4.4Å; M799-V832 HydrophobicContact CG-CG1 4.02Å; M799-V832 HydrophobicContact SD-CG1 4.31Å
800	A	88.9	Confident	93.2	Very high	59 Å²	59	37.7 Å²	37.7	49%	0.488	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-58.8	-29.6	-176.3	0	0	0	0	0	113.8	K797 K802 V832	K797-A800 VanDerWaalsContact O-CB 3.26Å; K797-A800 WeakPolarHBondContact O-CB 3.18Å; K797-A800 PolarHBondContact O-N 3.17Å; A800-K802 VanDerWaalsContact C-N 3.3Å; A800-V832 HydrophobicContact CB-CG2 4.05Å
801	S	86.5	Confident	93.2	Very high	100 Å²	100	35 Å²	35	70%	0.699	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-88.1	6.5	177.8	64.8	0	0	0	0	114	M799	M799-S801 PolarHBondContact O-N 3.01Å; M799-S801 VanDerWaalsContact O-N 3.11Å
802	K	91.9	Very high	93.1	Very high	26 Å²	26	35 Å²	35	11%	0.113	20%	0.197	C	C	.	.	S	Bend	trans	-120.1	148.3	-169.3	-48.3	-63.6	-176.3	159.5	0	110	L746 I754 R755 M799 A800	L746-K802 HydrophobicContact CD2-CB 4.42Å; I754-K802 WeakPolarHBondContact O-CD 3.48Å; I754-K802 WeakPolarHBondContact O-CE 3.35Å; I754-K802 PolarHBondContact O-NZ 2.85Å; R755-K802 CarbonylContact O-C 3.49Å; R755-K802 VanDerWaalsContact O-CA 3.25Å; R755-K802 WeakPolarHBondContact O-CA 3.01Å; R755-K802 WeakPolarHBondContact O-CB 3.46Å; M799-K802 HydrophobicContact CG-CB 4.39Å; M799-K802 WeakPolarHBondContact O-CA 3.19Å; M799-K802 VanDerWaalsContact O-CB 3.32Å; M799-K802 WeakPolarHBondContact O-CB 3.39Å; M799-K802 PolarHBondContact O-N 2.91Å; A800-K802 VanDerWaalsContact C-N 3.3Å
803	G	93.9	Very high	92.9	Very high	7 Å²	7	33.8 Å²	33.8	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	128.6	167.8	0	0	0	0	0	110.2	R755 C756 G757	R755-G803 PolarHBondContact O-N 3.33Å; C756-G803 CarbonylContact C-O 3.49Å; C756-G803 WeakPolarHBondContact CA-O 3.23Å; C756-G803 WeakPolarHBondContact CB-O 3.27Å; G757-G803 PolarHBondContact N-O 2.88Å
804	F	96.9	Very high	93	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.9	175	-174.1	-126	0	0	0	110.8	L746 G757 M799 L806 L823 L827 L834 D835	L746-F804 HydrophobicContact CD1-CD2 3.55Å; L746-F804 HydrophobicContact CD1-CE2 4.15Å; L746-F804 HydrophobicContact CD1-CG 4.36Å; G757-F804 WeakPolarHBondContact O-CA 3.41Å; G757-F804 WeakPolarHBondContact O-CD2 3.44Å; M799-F804 HydrophobicContact CE-CD2 4.34Å; M799-F804 HydrophobicContact CE-CE2 4.39Å; M799-F804 HydrophobicContact CE-CG 4.49Å; M799-F804 HydrophobicContact CG-CB 4.34Å; M799-F804 HydrophobicContact SD-CB 3.87Å; M799-F804 HydrophobicContact SD-CD1 3.71Å; M799-F804 HydrophobicContact SD-CD2 4.01Å; M799-F804 HydrophobicContact SD-CE1 4.22Å; M799-F804 HydrophobicContact SD-CE2 4.47Å; M799-F804 HydrophobicContact SD-CG 3.6Å; M799-F804 VanDerWaalsContact SD-CG 3.6Å; F804-L806 HydrophobicContact CE1-CB 4.03Å; F804-L806 HydrophobicContact CE1-CD1 4.45Å; F804-L806 HydrophobicContact CE1-CD2 4.32Å; F804-L806 HydrophobicContact CZ-CB 4.42Å; F804-L806 HydrophobicContact CZ-CD1 4.25Å; F804-L823 HydrophobicContact CE1-CD2 4.22Å; F804-L823 HydrophobicContact CZ-CD2 4.05Å; F804-L827 HydrophobicContact CD1-CD1 3.83Å; F804-L827 HydrophobicContact CE1-CD1 3.65Å; F804-L834 HydrophobicContact CB-CB 4.25Å; F804-L834 HydrophobicContact CD1-CB 3.8Å; F804-L834 HydrophobicContact CD1-CD1 4.15Å; F804-L834 HydrophobicContact CE1-CD1 4.35Å; F804-L834 HydrophobicContact CG-CB 4.49Å; F804-D835 PolarHBondContact O-N 2.69Å
805	L	98.3	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.8	171.8	172.7	62.4	0	0	0	108.7	G757 I758 S759 V807 D835 K858 M859 F862	G757-L805 PolarHBondContact O-N 2.8Å; I758-L805 WeakPolarHBondContact CA-O 3.39Å; I758-L805 HydrophobicContact CG1-CB 4.23Å; I758-L805 HydrophobicContact CG1-CD2 4.21Å; I758-L805 HydrophobicContact CG2-CD2 4.21Å; I758-L805 HydrophobicContact CG2-CG 4.42Å; S759-L805 PolarHBondContact N-O 2.9Å; L805-V807 HydrophobicContact CD1-CG2 4.14Å; L805-V807 HydrophobicContact CD2-CG2 4.2Å; L805-V807 HydrophobicContact CG-CG2 3.88Å; L805-D835 WeakPolarHBondContact CA-O 3.21Å; L805-D835 HydrophobicContact CB-CB 4.43Å; L805-D835 HydrophobicContact CD1-CB 3.81Å; L805-K858 HydrophobicContact CD1-CG 4.46Å; L805-K858 HydrophobicContact CD2-CG 4.12Å; L805-M859 HydrophobicContact CD2-CG 4.27Å; L805-F862 HydrophobicContact CB-CD1 3.83Å; L805-F862 HydrophobicContact CB-CD2 3.74Å; L805-F862 HydrophobicContact CB-CE1 3.78Å; L805-F862 HydrophobicContact CB-CE2 3.68Å; L805-F862 HydrophobicContact CB-CG 3.8Å; L805-F862 HydrophobicContact CB-CZ 3.68Å; L805-F862 HydrophobicContact CD2-CB 3.86Å; L805-F862 HydrophobicContact CD2-CD1 4.19Å; L805-F862 HydrophobicContact CD2-CD2 4.46Å; L805-F862 HydrophobicContact CD2-CG 3.93Å; L805-F862 HydrophobicContact CG-CG 4.45Å
806	L	98.5	Very high	93.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131	173.6	-172.2	54.6	0	0	0	109.4	S759 P762 F804 T820 L823 I824 L834 D835 L836 M837	S759-L806 WeakPolarHBondContact O-CA 3.33Å; P762-L806 HydrophobicContact CG-CD1 3.48Å; P762-L806 VanDerWaalsContact CG-CD1 3.48Å; F804-L806 HydrophobicContact CE1-CB 4.03Å; F804-L806 HydrophobicContact CE1-CD1 4.45Å; F804-L806 HydrophobicContact CE1-CD2 4.32Å; F804-L806 HydrophobicContact CZ-CB 4.42Å; F804-L806 HydrophobicContact CZ-CD1 4.25Å; L806-T820 HydrophobicContact CD2-CG2 3.68Å; L806-T820 HydrophobicContact CG-CG2 4.02Å; L806-L823 HydrophobicContact CD1-CD2 4.23Å; L806-L823 HydrophobicContact CD2-CD2 4.24Å; L806-I824 HydrophobicContact CD2-CD1 4.06Å; L806-I824 HydrophobicContact CD2-CG1 3.69Å; L806-L834 HydrophobicContact CB-CD1 3.71Å; L806-L834 HydrophobicContact CD2-CD1 3.9Å; L806-L834 HydrophobicContact CG-CD1 4.48Å; L806-D835 PolarHBondContact N-O 2.96Å; L806-L836 HydrophobicContact CB-CD1 4.09Å; L806-L836 HydrophobicContact CD2-CD1 4.36Å; L806-L836 HydrophobicContact CG-CD1 4.12Å; L806-L836 CarbonylContact O-C 3.6Å; L806-L836 WeakPolarHBondContact O-CA 3.43Å; L806-M837 PolarHBondContact O-N 2.76Å
807	V	98.6	Very high	93.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.6	-179.7	-174	0	0	0	0	110	S759 V760 A761 L805 M837 Y839 L846 L855	S759-V807 PolarHBondContact O-N 2.73Å; V760-V807 HydrophobicContact CB-CB 4.4Å; V760-V807 HydrophobicContact CG1-CB 4.12Å; V760-V807 HydrophobicContact CG1-CG1 4.27Å; V760-V807 HydrophobicContact CG2-CB 4.09Å; V760-V807 HydrophobicContact CG2-CG2 4.25Å; A761-V807 PolarHBondContact N-O 3.07Å; L805-V807 HydrophobicContact CD1-CG2 4.14Å; L805-V807 HydrophobicContact CD2-CG2 4.2Å; L805-V807 HydrophobicContact CG-CG2 3.88Å; V807-M837 CarbonylContact C-O 3.52Å; V807-M837 VanDerWaalsContact CA-O 3.24Å; V807-M837 WeakPolarHBondContact CA-O 3.03Å; V807-M837 HydrophobicContact CG1-CB 4.28Å; V807-M837 HydrophobicContact CG1-CG 4.45Å; V807-M837 HydrophobicContact CG2-CB 4.2Å; V807-Y839 HydrophobicContact CG1-CD2 3.91Å; V807-Y839 HydrophobicContact CG1-CE2 3.64Å; V807-L846 HydrophobicContact CG1-CD1 3.73Å; V807-L855 HydrophobicContact CB-CD1 4.32Å; V807-L855 HydrophobicContact CG1-CD1 3.68Å; V807-L855 HydrophobicContact CG2-CD1 4.05Å
808	H	98.1	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	147.6	175.4	-138.5	120.8	0	0	0	112.9	A761 D812 V815 L817 T820 M837 I838 Y839	A761-H808 VanDerWaalsContact CA-CE1 3.48Å; A761-H808 WeakPolarHBondContact CA-CE1 3.29Å; H808-D812 IonicContact CD2-OD2 3.36Å; H808-D812 IonicContact CE1-OD2 3.8Å; H808-D812 IonicContact NE2-OD2 2.85Å; H808-D812 PolarHBondContact NE2-OD2 2.62Å; H808-V815 PolarHBondContact CE1-O 3.41Å; H808-V815 VanDerWaalsContact CE1-O 3.25Å; H808-V815 PolarHBondContact NE2-O 2.85Å; H808-L817 HydrophobicContact CB-CD1 3.77Å; H808-T820 HydrophobicContact CB-CG2 4.26Å; H808-T820 VanDerWaalsContact ND1-CB 3.32Å; H808-T820 WeakPolarHBondContact ND1-CB 3.32Å; H808-T820 PolarHBondContact ND1-OG1 3.06Å; H808-M837 PolarHBondContact N-O 2.88Å; H808-I838 HydrophobicContact CB-CD1 3.93Å; H808-I838 CarbonylContact O-C 3.55Å; H808-I838 VanDerWaalsContact O-CA 3.28Å; H808-I838 WeakPolarHBondContact O-CA 3.41Å; H808-Y839 PolarHBondContact O-N 2.83Å
809	G	95.8	Very high	94.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.2	166.7	0	0	0	0	0	111.4	A811 Y839 D842 L846	G809-A811 PolarHBondContact O-N 3.44Å; G809-Y839 CarbonylContact C-O 3.57Å; G809-Y839 VanDerWaalsContact CA-O 3.31Å; G809-Y839 WeakPolarHBondContact CA-O 3.22Å; G809-D842 CarbonylContact C-O 3.48Å; G809-L846 VanDerWaalsContact CA-CD2 3.49Å; G809-L846 VanDerWaalsContact N-CD2 3.33Å
810	T	93.6	Very high	94.4	Very high	12 Å²	12	15.7 Å²	15.7	7%	0.074	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.4	178.5	68.7	0	0	0	0	112.6	L328 F330 I838 Y839 P840 D841	L328-T810 CarbonylContact O-C 3.59Å; L328-T810 PolarHBondContact O-OG1 2.8Å; L328-T810 VanDerWaalsContact O-OG1 3.08Å; F330-T810 HydrophobicContact CE2-CG2 3.97Å; T810-I838 HydrophobicContact CG2-CG2 3.23Å; T810-Y839 PolarHBondContact N-O 2.82Å; T810-P840 WeakPolarHBondContact OG1-CA 3.38Å; T810-D841 PolarHBondContact OG1-N 2.84Å
811	A	91.2	Very high	94.8	Very high	9 Å²	9	15.4 Å²	15.4	7%	0.074	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	20.5	-178.9	0	0	0	0	0	113.9	I327 K329 G809 D813 D841 D842	I327-A811 HydrophobicContact CG2-CB 3.78Å; K329-A811 HydrophobicContact CG-CB 4.18Å; G809-A811 PolarHBondContact O-N 3.44Å; A811-D813 PolarHBondContact O-N 2.73Å; A811-D813 VanDerWaalsContact O-N 3.11Å; A811-D841 WeakPolarHBondContact CB-O 3.39Å; A811-D842 CarbonylContact C-O 3.53Å; A811-D842 WeakPolarHBondContact CA-O 3.46Å; A811-D842 WeakPolarHBondContact CB-O 3.49Å; A811-D842 PolarHBondContact N-O 3.03Å
812	D	93	Very high	95.2	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.011	8%	0.079	C	C	.	.			trans	-61.7	109	174.8	-169.4	-21.1	0	0	0	110.6	A761 H808 N814 V815 H816 D842 H844	A761-D812 WeakPolarHBondContact CB-OD2 3.39Å; H808-D812 IonicContact CD2-OD2 3.36Å; H808-D812 IonicContact CE1-OD2 3.8Å; H808-D812 IonicContact NE2-OD2 2.85Å; H808-D812 PolarHBondContact NE2-OD2 2.62Å; D812-N814 PolarHBondContact OD1-N 2.92Å; D812-V815 WeakPolarHBondContact CB-O 3.37Å; D812-V815 PolarHBondContact OD1-N 3.14Å; D812-H816 PolarHBondContact O-CD2 3.26Å; D812-D842 PolarHBondContact N-O 3.34Å; D812-H844 VanDerWaalsContact CG-ND1 3.31Å; D812-H844 VanDerWaalsContact OD1-CB 3.27Å; D812-H844 WeakPolarHBondContact OD1-CB 3.37Å; D812-H844 IonicContact OD1-CG 3.77Å; D812-H844 IonicContact OD1-ND1 3.12Å; D812-H844 PolarHBondContact OD1-ND1 2.86Å; D812-H844 VanDerWaalsContact OD1-ND1 3.15Å; D812-H844 IonicContact OD2-CE1 3.07Å; D812-H844 IonicContact OD2-CG 2.56Å; D812-H844 IonicContact OD2-ND1 2.79Å; D812-H844 PolarHBondContact OD2-ND1 2.86Å
813	D	90.4	Very high	95.5	Very high	22 Å²	22	12.3 Å²	12.3	12%	0.118	8%	0.075	C	C	.	.	S	Bend	trans	-90.1	-5.4	-179.5	67.2	-31.5	0	0	0	113.1	W290 I327 I343 A811	W290-D813 VanDerWaalsContact CZ2-O 3.32Å; W290-D813 WeakPolarHBondContact CZ2-O 3.46Å; W290-D813 PolarHBondContact NE1-O 3.14Å; I327-D813 HydrophobicContact CD1-CB 3.71Å; I343-D813 HydrophobicContact CD1-CB 4.44Å; A811-D813 PolarHBondContact O-N 2.73Å; A811-D813 VanDerWaalsContact O-N 3.11Å
814	N	91.8	Very high	95.6	Very high	9 Å²	9	14 Å²	14	5%	0.048	8%	0.082	C	C	.	.	S	Bend	trans	-100.3	-64.4	177.8	-173.3	45.4	0	0	0	110.7	Y345 Y769 D812 H844	Y345-N814 PolarHBondContact OH-O 2.97Å; Y769-N814 WeakPolarHBondContact CE2-O 3.5Å; Y769-N814 PolarHBondContact OH-ND2 2.81Å; Y769-N814 PolarHBondContact OH-OD1 2.8Å; D812-N814 PolarHBondContact OD1-N 2.92Å; N814-H844 HydrophobicContact CB-CB 3.95Å; N814-H844 PolarHBondContact ND2-CD2 2.85Å; N814-H844 PolarHBondContact ND2-NE2 2.98Å
815	V	94.8	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-106.8	91.9	174.6	-174.9	0	0	0	0	108.5	P762 V763 Y769 H808 D812 N819 H844	P762-V815 VanDerWaalsContact O-CG1 3.25Å; P762-V815 WeakPolarHBondContact O-CG1 3.45Å; V763-V815 HydrophobicContact CB-CG1 4.5Å; V763-V815 HydrophobicContact CG2-CB 4.46Å; V763-V815 HydrophobicContact CG2-CG1 3.91Å; V763-V815 HydrophobicContact CG2-CG2 3.63Å; Y769-V815 HydrophobicContact CD2-CG2 4.37Å; Y769-V815 HydrophobicContact CE2-CG2 3.75Å; H808-V815 PolarHBondContact CE1-O 3.41Å; H808-V815 VanDerWaalsContact CE1-O 3.25Å; H808-V815 PolarHBondContact NE2-O 2.85Å; D812-V815 WeakPolarHBondContact CB-O 3.37Å; D812-V815 PolarHBondContact OD1-N 3.14Å; V815-N819 HydrophobicContact CG1-CB 4.13Å; V815-H844 WeakPolarHBondContact CG2-CE1 3.48Å
816	H	94.7	Very high	95.4	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.136	C	C	.	.			trans	-56.5	145.6	-177.4	-57.1	117.1	0	0	0	114	Y325 Y345 D812 V818 N819	Y325-H816 AromaticContact CD1-CD2 3.26Å; Y325-H816 WeakPolarHBondContact CD1-CD2 3.46Å; Y325-H816 AromaticContact CD1-CE1 3.96Å; Y325-H816 AromaticContact CD1-CG 3.89Å; Y325-H816 AromaticContact CD1-NE2 3.28Å; Y325-H816 VanDerWaalsContact CD1-NE2 3.28Å; Y325-H816 WeakPolarHBondContact CD1-NE2 3.42Å; Y325-H816 HydrophobicContact CE1-CB 3.83Å; Y325-H816 AromaticContact CE1-CD2 3.1Å; Y325-H816 WeakPolarHBondContact CE1-CD2 3.49Å; Y325-H816 AromaticContact CE1-CG 3.49Å; Y325-H816 VanDerWaalsContact CE1-CG 3.49Å; Y325-H816 AromaticContact CE1-NE2 3.68Å; Y325-H816 HydrophobicContact CE2-CB 4.33Å; Y325-H816 AromaticContact CG-NE2 3.76Å; Y325-H816 AromaticContact CZ-CD2 3.77Å; Y325-H816 AromaticContact CZ-CG 3.63Å; Y325-H816 WeakPolarHBondContact OH-CB 3.49Å; Y345-H816 AromaticContact CD1-CE1 3.6Å; Y345-H816 AromaticContact CD2-CE1 3.36Å; Y345-H816 WeakPolarHBondContact CD2-CE1 3.29Å; Y345-H816 AromaticContact CD2-NE2 3.84Å; Y345-H816 AromaticContact CE1-CE1 3.54Å; Y345-H816 AromaticContact CE1-ND1 3.97Å; Y345-H816 AromaticContact CE2-CE1 3.26Å; Y345-H816 WeakPolarHBondContact CE2-CE1 3.45Å; Y345-H816 AromaticContact CE2-NE2 3.94Å; Y345-H816 AromaticContact CG-CE1 3.51Å; Y345-H816 AromaticContact CZ-CE1 3.37Å; Y345-H816 AromaticContact CZ-ND1 3.87Å; D812-H816 PolarHBondContact O-CD2 3.26Å; H816-V818 HydrophobicContact CB-CG1 4Å; H816-V818 PolarHBondContact O-N 2.74Å; H816-N819 PolarHBondContact O-N 3.09Å; H816-N819 PolarHBondContact O-ND2 2.99Å
817	L	95.7	Very high	95.3	Very high	37 Å²	37	26 Å²	26	19%	0.194	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-23.6	-179.8	-176.2	64.8	0	0	0	114	L328 H808 N819 T820 A821 I838	L328-L817 HydrophobicContact CD1-CD2 4.4Å; H808-L817 HydrophobicContact CB-CD1 3.77Å; L817-N819 PolarHBondContact O-N 3.24Å; L817-T820 HydrophobicContact CD1-CG2 4.05Å; L817-T820 PolarHBondContact O-N 2.8Å; L817-T820 VanDerWaalsContact O-N 3.1Å; L817-A821 PolarHBondContact O-N 2.66Å; L817-I838 HydrophobicContact CD1-CD1 3.9Å
818	V	95.6	Very high	95.1	Very high	40 Å²	40	30.2 Å²	30.2	24%	0.242	16%	0.162	C	C	.	.	H	α-helix	trans	-54.3	-31.8	174.1	71.1	0	0	0	0	112.9	Y768 H816 A821 K822	Y768-V818 HydrophobicContact CD1-CG1 4Å; Y768-V818 HydrophobicContact CD1-CG2 4.44Å; Y768-V818 HydrophobicContact CD2-CG1 4.4Å; Y768-V818 HydrophobicContact CE1-CG2 4.38Å; Y768-V818 HydrophobicContact CG-CG1 3.83Å; H816-V818 HydrophobicContact CB-CG1 4Å; H816-V818 PolarHBondContact O-N 2.74Å; V818-A821 PolarHBondContact O-N 2.93Å; V818-K822 WeakPolarHBondContact O-CB 3.38Å; V818-K822 PolarHBondContact O-N 3.08Å
819	N	97.2	Very high	94.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-52.4	175.1	-75.6	-84.2	0	0	0	110.9	P762 S764 D765 V815 H816 L817 A821 K822 L823	P762-N819 VanDerWaalsContact O-CB 3.26Å; P762-N819 WeakPolarHBondContact O-CB 3.29Å; S764-N819 PolarHBondContact N-OD1 2.99Å; S764-N819 VanDerWaalsContact OG-CA 3.22Å; S764-N819 WeakPolarHBondContact OG-CA 3.32Å; S764-N819 WeakPolarHBondContact OG-CB 3.34Å; S764-N819 PolarHBondContact OG-O 2.82Å; S764-N819 PolarHBondContact OG-OD1 2.74Å; D765-N819 PolarHBondContact N-OD1 2.83Å; D765-N819 PolarHBondContact O-OD1 3.04Å; V815-N819 HydrophobicContact CG1-CB 4.13Å; H816-N819 PolarHBondContact O-N 3.09Å; H816-N819 PolarHBondContact O-ND2 2.99Å; L817-N819 PolarHBondContact O-N 3.24Å; N819-A821 VanDerWaalsContact C-N 3.33Å; N819-A821 PolarHBondContact O-N 3.37Å; N819-K822 PolarHBondContact O-N 2.93Å; N819-L823 WeakPolarHBondContact O-CB 3.38Å; N819-L823 PolarHBondContact O-N 3.14Å
820	T	97.6	Very high	94.7	Very high	2 Å²	2	35 Å²	35	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-44.4	175	-86.2	0	0	0	0	111.9	L806 H808 L817 K822 L823 I824 L836	L806-T820 HydrophobicContact CD2-CG2 3.68Å; L806-T820 HydrophobicContact CG-CG2 4.02Å; H808-T820 HydrophobicContact CB-CG2 4.26Å; H808-T820 VanDerWaalsContact ND1-CB 3.32Å; H808-T820 WeakPolarHBondContact ND1-CB 3.32Å; H808-T820 PolarHBondContact ND1-OG1 3.06Å; L817-T820 HydrophobicContact CD1-CG2 4.05Å; L817-T820 PolarHBondContact O-N 2.8Å; L817-T820 VanDerWaalsContact O-N 3.1Å; T820-K822 VanDerWaalsContact C-N 3.33Å; T820-K822 PolarHBondContact O-N 2.83Å; T820-L823 PolarHBondContact O-N 3.4Å; T820-I824 HydrophobicContact CG2-CD1 3.75Å; T820-I824 HydrophobicContact CG2-CG1 4.49Å; T820-I824 VanDerWaalsContact O-CG1 3.24Å; T820-I824 WeakPolarHBondContact O-CG1 3.28Å; T820-I824 PolarHBondContact O-N 3.44Å; T820-L836 HydrophobicContact CG2-CD1 4.26Å
821	A	97	Very high	94.6	Very high	54 Å²	54	37.2 Å²	37.2	45%	0.446	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-40.3	177.6	0	0	0	0	0	112.6	L817 V818 N819 K825	L817-A821 PolarHBondContact O-N 2.66Å; V818-A821 PolarHBondContact O-N 2.93Å; N819-A821 VanDerWaalsContact C-N 3.33Å; N819-A821 PolarHBondContact O-N 3.37Å; A821-K825 WeakPolarHBondContact O-CB 3.41Å; A821-K825 PolarHBondContact O-N 3.32Å
822	K	95.3	Very high	94.6	Very high	56 Å²	56	36.9 Å²	36.9	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-45.1	174.6	-87.7	-153.6	171.9	-169.7	0	112.6	D765 Y768 V818 N819 T820 I824 K825 E826	D765-K822 IonicContact OD2-NZ 2.73Å; D765-K822 PolarHBondContact OD2-NZ 3.4Å; Y768-K822 HydrophobicContact CD2-CD 4.38Å; Y768-K822 HydrophobicContact CE2-CD 3.54Å; Y768-K822 WeakPolarHBondContact OH-CE 3.49Å; Y768-K822 PolarHBondContact OH-NZ 3.47Å; V818-K822 WeakPolarHBondContact O-CB 3.38Å; V818-K822 PolarHBondContact O-N 3.08Å; N819-K822 PolarHBondContact O-N 2.93Å; T820-K822 VanDerWaalsContact C-N 3.33Å; T820-K822 PolarHBondContact O-N 2.83Å; K822-I824 VanDerWaalsContact C-N 3.3Å; K822-I824 PolarHBondContact O-N 3.26Å; K822-K825 WeakPolarHBondContact O-CB 3.23Å; K822-K825 PolarHBondContact O-N 3.05Å; K822-K825 VanDerWaalsContact O-N 3.16Å; K822-E826 WeakPolarHBondContact O-CG 3.42Å; K822-E826 PolarHBondContact O-N 3.15Å
823	L	96.8	Very high	94.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-46.1	177.5	-179.2	57.4	0	0	0	110.7	P762 I793 F804 L806 N819 T820 K825 E826 L827	P762-L823 HydrophobicContact CG-CD2 4.18Å; I793-L823 HydrophobicContact CD1-CD1 3.59Å; I793-L823 HydrophobicContact CG1-CD1 4.41Å; F804-L823 HydrophobicContact CE1-CD2 4.22Å; F804-L823 HydrophobicContact CZ-CD2 4.05Å; L806-L823 HydrophobicContact CD1-CD2 4.23Å; L806-L823 HydrophobicContact CD2-CD2 4.24Å; N819-L823 WeakPolarHBondContact O-CB 3.38Å; N819-L823 PolarHBondContact O-N 3.14Å; T820-L823 PolarHBondContact O-N 3.4Å; L823-K825 VanDerWaalsContact C-N 3.34Å; L823-K825 PolarHBondContact O-N 2.85Å; L823-E826 PolarHBondContact O-N 2.87Å; L823-L827 HydrophobicContact CD1-CD1 4.04Å; L823-L827 HydrophobicContact CD1-CG 4.14Å; L823-L827 HydrophobicContact CG-CD1 3.95Å; L823-L827 HydrophobicContact CG-CG 4.46Å; L823-L827 WeakPolarHBondContact O-CB 3.47Å; L823-L827 VanDerWaalsContact O-CG 3.26Å; L823-L827 WeakPolarHBondContact O-CG 3.37Å; L823-L827 PolarHBondContact O-N 3.07Å
824	I	97.3	Very high	94.6	Very high	42 Å²	42	43.1 Å²	43.1	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-57.4	-47.9	174.5	-68	165.7	0	0	0	110.7	L806 T820 K822 E826 L827 V828 L834 L836	L806-I824 HydrophobicContact CD2-CD1 4.06Å; L806-I824 HydrophobicContact CD2-CG1 3.69Å; T820-I824 HydrophobicContact CG2-CD1 3.75Å; T820-I824 HydrophobicContact CG2-CG1 4.49Å; T820-I824 VanDerWaalsContact O-CG1 3.24Å; T820-I824 WeakPolarHBondContact O-CG1 3.28Å; T820-I824 PolarHBondContact O-N 3.44Å; K822-I824 VanDerWaalsContact C-N 3.3Å; K822-I824 PolarHBondContact O-N 3.26Å; I824-E826 VanDerWaalsContact C-N 3.33Å; I824-E826 PolarHBondContact O-N 3.43Å; I824-L827 PolarHBondContact O-N 3.09Å; I824-V828 HydrophobicContact CG2-CG2 4.02Å; I824-V828 WeakPolarHBondContact O-CB 3.17Å; I824-V828 VanDerWaalsContact O-CG2 3.31Å; I824-V828 WeakPolarHBondContact O-CG2 3.21Å; I824-V828 PolarHBondContact O-N 3.43Å; I824-L834 HydrophobicContact CG1-CD1 4.04Å; I824-L836 HydrophobicContact CD1-CD1 3.99Å; I824-L836 HydrophobicContact CD1-CD2 3.95Å
825	K	96	Very high	94.8	Very high	150 Å²	150	45.3 Å²	45.3	65%	0.652	27%	0.268	S	S	*	.	H	α-helix	trans	-56.7	-46.1	179.9	-177.8	-180	177.6	179.9	0	112.1	A821 K822 L823 A829	A821-K825 WeakPolarHBondContact O-CB 3.41Å; A821-K825 PolarHBondContact O-N 3.32Å; K822-K825 WeakPolarHBondContact O-CB 3.23Å; K822-K825 PolarHBondContact O-N 3.05Å; K822-K825 VanDerWaalsContact O-N 3.16Å; L823-K825 VanDerWaalsContact C-N 3.34Å; L823-K825 PolarHBondContact O-N 2.85Å; K825-A829 VanDerWaalsContact O-CB 3.25Å; K825-A829 WeakPolarHBondContact O-CB 3.39Å; K825-A829 PolarHBondContact O-N 2.94Å
826	E	94.9	Very high	95	Very high	104 Å²	104	49.2 Å²	49.2	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-67.5	-40.5	179	-65.7	-59.5	143.2	0	0	112.3	K822 L823 I824 A830	K822-E826 WeakPolarHBondContact O-CG 3.42Å; K822-E826 PolarHBondContact O-N 3.15Å; L823-E826 PolarHBondContact O-N 2.87Å; I824-E826 VanDerWaalsContact C-N 3.33Å; I824-E826 PolarHBondContact O-N 3.43Å; E826-A830 WeakPolarHBondContact O-CB 3.48Å; E826-A830 PolarHBondContact O-N 2.68Å; E826-A830 VanDerWaalsContact O-N 3.15Å
827	L	95.3	Very high	95.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-46.6	178.8	-70.6	176.6	0	0	0	112	I793 P796 M799 F804 L823 I824 A829 A830 G831 V832 L834	I793-L827 HydrophobicContact CD1-CD2 4.06Å; P796-L827 HydrophobicContact CB-CD2 3.95Å; M799-L827 HydrophobicContact CE-CD2 4.34Å; M799-L827 HydrophobicContact SD-CD1 3.98Å; M799-L827 HydrophobicContact SD-CD2 3.75Å; F804-L827 HydrophobicContact CD1-CD1 3.83Å; F804-L827 HydrophobicContact CE1-CD1 3.65Å; L823-L827 HydrophobicContact CD1-CD1 4.04Å; L823-L827 HydrophobicContact CD1-CG 4.14Å; L823-L827 HydrophobicContact CG-CD1 3.95Å; L823-L827 HydrophobicContact CG-CG 4.46Å; L823-L827 WeakPolarHBondContact O-CB 3.47Å; L823-L827 VanDerWaalsContact O-CG 3.26Å; L823-L827 WeakPolarHBondContact O-CG 3.37Å; L823-L827 PolarHBondContact O-N 3.07Å; I824-L827 PolarHBondContact O-N 3.09Å; L827-A829 PolarHBondContact O-N 2.81Å; L827-A830 CarbonylContact O-C 3.52Å; L827-A830 WeakPolarHBondContact O-CA 3.43Å; L827-A830 WeakPolarHBondContact O-CB 3.22Å; L827-A830 PolarHBondContact O-N 3.05Å; L827-G831 PolarHBondContact O-N 3.26Å; L827-V832 HydrophobicContact CB-CB 4.1Å; L827-V832 HydrophobicContact CB-CG1 4.45Å; L827-V832 HydrophobicContact CD2-CB 4.31Å; L827-V832 HydrophobicContact CD2-CG1 4.24Å; L827-V832 HydrophobicContact CD2-CG2 4.4Å; L827-V832 WeakPolarHBondContact O-CB 3.24Å; L827-V832 PolarHBondContact O-N 2.88Å; L827-L834 HydrophobicContact CB-CD2 4.44Å; L827-L834 HydrophobicContact CD1-CD2 4.4Å
828	V	94.7	Very high	95.2	Very high	90 Å²	90	52.2 Å²	52.2	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-41.5	177.6	172.3	0	0	0	0	110.9	I824 A830 G831	I824-V828 HydrophobicContact CG2-CG2 4.02Å; I824-V828 WeakPolarHBondContact O-CB 3.17Å; I824-V828 VanDerWaalsContact O-CG2 3.31Å; I824-V828 WeakPolarHBondContact O-CG2 3.21Å; I824-V828 PolarHBondContact O-N 3.43Å; V828-A830 PolarHBondContact O-N 2.92Å; V828-G831 PolarHBondContact O-N 2.82Å
829	A	93.5	Very high	95.2	Very high	85 Å²	85	50.6 Å²	50.6	70%	0.702	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-25.4	174.3	0	0	0	0	0	112.8	K825 L827	K825-A829 VanDerWaalsContact O-CB 3.25Å; K825-A829 WeakPolarHBondContact O-CB 3.39Å; K825-A829 PolarHBondContact O-N 2.94Å; L827-A829 PolarHBondContact O-N 2.81Å
830	A	92.8	Very high	94.9	Very high	16 Å²	16	53.8 Å²	53.8	13%	0.132	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0.5	174.8	0	0	0	0	0	114	P796 K797 E826 L827 V828 V832	P796-A830 HydrophobicContact CB-CB 3.63Å; P796-A830 HydrophobicContact CG-CB 3.55Å; K797-A830 HydrophobicContact CG-CB 3.94Å; K797-A830 WeakPolarHBondContact CG-O 3.14Å; E826-A830 WeakPolarHBondContact O-CB 3.48Å; E826-A830 PolarHBondContact O-N 2.68Å; E826-A830 VanDerWaalsContact O-N 3.15Å; L827-A830 CarbonylContact O-C 3.52Å; L827-A830 WeakPolarHBondContact O-CA 3.43Å; L827-A830 WeakPolarHBondContact O-CB 3.22Å; L827-A830 PolarHBondContact O-N 3.05Å; V828-A830 PolarHBondContact O-N 2.92Å; A830-V832 HydrophobicContact CB-CG2 4.22Å
831	G	90.7	Very high	94.5	Very high	58 Å²	58	54.3 Å²	54.3	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	31	-176.5	0	0	0	0	0	113.6	L827 V828	L827-G831 PolarHBondContact O-N 3.26Å; V828-G831 PolarHBondContact O-N 2.82Å
832	V	91.4	Very high	94.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	30%	0.295	C	S	.	.			trans	-103.2	120.5	177.6	-179.7	0	0	0	0	109.8	P796 M799 A800 L827 A830	P796-V832 VanDerWaalsContact O-CG2 3.31Å; P796-V832 WeakPolarHBondContact O-CG2 3.23Å; M799-V832 HydrophobicContact CB-CG1 4Å; M799-V832 HydrophobicContact CB-CG2 4.4Å; M799-V832 HydrophobicContact CG-CG1 4.02Å; M799-V832 HydrophobicContact SD-CG1 4.31Å; A800-V832 HydrophobicContact CB-CG2 4.05Å; L827-V832 HydrophobicContact CB-CB 4.1Å; L827-V832 HydrophobicContact CB-CG1 4.45Å; L827-V832 HydrophobicContact CD2-CB 4.31Å; L827-V832 HydrophobicContact CD2-CG1 4.24Å; L827-V832 HydrophobicContact CD2-CG2 4.4Å; L827-V832 WeakPolarHBondContact O-CB 3.24Å; L827-V832 PolarHBondContact O-N 2.88Å; A830-V832 HydrophobicContact CB-CG2 4.22Å
833	D	90.2	Very high	93.9	Very high	114 Å²	114	50.8 Å²	50.8	61%	0.61	29%	0.293	S	S	*	.			trans	-81.5	149.1	170.1	-66	-44.1	0	0	0	111.4
834	L	94.1	Very high	93.7	Very high	42 Å²	42	51 Å²	51	22%	0.22	29%	0.294	C	S	.	.			trans	-145.6	156.2	177.2	68.1	138.9	0	0	0	112.8	F804 L806 I824 L827	F804-L834 HydrophobicContact CB-CB 4.25Å; F804-L834 HydrophobicContact CD1-CB 3.8Å; F804-L834 HydrophobicContact CD1-CD1 4.15Å; F804-L834 HydrophobicContact CE1-CD1 4.35Å; F804-L834 HydrophobicContact CG-CB 4.49Å; L806-L834 HydrophobicContact CB-CD1 3.71Å; L806-L834 HydrophobicContact CD2-CD1 3.9Å; L806-L834 HydrophobicContact CG-CD1 4.48Å; I824-L834 HydrophobicContact CG1-CD1 4.04Å; L827-L834 HydrophobicContact CB-CD2 4.44Å; L827-L834 HydrophobicContact CD1-CD2 4.4Å
835	D	95.9	Very high	93.4	Very high	55 Å²	55	52.4 Å²	52.4	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.4	166.6	-71.3	-53.7	0	0	0	109.1	F804 L805 L806 F862 K873	F804-D835 PolarHBondContact O-N 2.69Å; L805-D835 WeakPolarHBondContact CA-O 3.21Å; L805-D835 HydrophobicContact CB-CB 4.43Å; L805-D835 HydrophobicContact CD1-CB 3.81Å; L806-D835 PolarHBondContact N-O 2.96Å; D835-F862 WeakPolarHBondContact OD2-CD2 3.43Å; D835-F862 WeakPolarHBondContact OD2-CE2 3.15Å; D835-K873 IonicContact OD2-NZ 2.84Å; D835-K873 PolarHBondContact OD2-NZ 3.49Å; D835-K873 VanDerWaalsContact OD2-NZ 3.12Å
836	L	97.8	Very high	93.2	Very high	82 Å²	82	45.3 Å²	45.3	43%	0.429	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136	178.1	-177.3	64.7	0	0	0	110.9	L806 T820 I824 I838	L806-L836 HydrophobicContact CB-CD1 4.09Å; L806-L836 HydrophobicContact CD2-CD1 4.36Å; L806-L836 HydrophobicContact CG-CD1 4.12Å; L806-L836 CarbonylContact O-C 3.6Å; L806-L836 WeakPolarHBondContact O-CA 3.43Å; T820-L836 HydrophobicContact CG2-CD1 4.26Å; I824-L836 HydrophobicContact CD1-CD1 3.99Å; I824-L836 HydrophobicContact CD1-CD2 3.95Å; L836-I838 HydrophobicContact CD1-CD1 3.85Å; L836-I838 HydrophobicContact CD1-CG1 4.24Å; L836-I838 HydrophobicContact CD2-CD1 4.37Å; L836-I838 HydrophobicContact CD2-CG1 4.05Å; L836-I838 HydrophobicContact CG-CD1 4.2Å; L836-I838 HydrophobicContact CG-CG1 4.02Å
837	M	97.7	Very high	92.7	Very high	48 Å²	48	41.9 Å²	41.9	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.5	167.7	-177.9	62.6	-170.4	0	0	110.1	L806 V807 H808 Y839	L806-M837 PolarHBondContact O-N 2.76Å; V807-M837 CarbonylContact C-O 3.52Å; V807-M837 VanDerWaalsContact CA-O 3.24Å; V807-M837 WeakPolarHBondContact CA-O 3.03Å; V807-M837 HydrophobicContact CG1-CB 4.28Å; V807-M837 HydrophobicContact CG1-CG 4.45Å; V807-M837 HydrophobicContact CG2-CB 4.2Å; H808-M837 PolarHBondContact N-O 2.88Å; M837-Y839 HydrophobicContact CE-CD1 3.87Å; M837-Y839 HydrophobicContact CE-CE1 3.28Å; M837-Y839 HydrophobicContact CE-CE2 4.03Å; M837-Y839 HydrophobicContact CE-CG 4.44Å; M837-Y839 WeakPolarHBondContact CE-OH 3.49Å; M837-Y839 HydrophobicContact CG-CD2 4.2Å; M837-Y839 HydrophobicContact CG-CE1 4.5Å; M837-Y839 HydrophobicContact CG-CE2 3.5Å
838	I	97.4	Very high	92	Very high	53 Å²	53	45.5 Å²	45.5	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.1	175.7	-61.8	-59.3	0	0	0	109.1	H808 T810 L817 L836 P840	H808-I838 HydrophobicContact CB-CD1 3.93Å; H808-I838 CarbonylContact O-C 3.55Å; H808-I838 VanDerWaalsContact O-CA 3.28Å; H808-I838 WeakPolarHBondContact O-CA 3.41Å; T810-I838 HydrophobicContact CG2-CG2 3.23Å; L817-I838 HydrophobicContact CD1-CD1 3.9Å; L836-I838 HydrophobicContact CD1-CD1 3.85Å; L836-I838 HydrophobicContact CD1-CG1 4.24Å; L836-I838 HydrophobicContact CD2-CD1 4.37Å; L836-I838 HydrophobicContact CD2-CG1 4.05Å; L836-I838 HydrophobicContact CG-CD1 4.2Å; L836-I838 HydrophobicContact CG-CG1 4.02Å; I838-P840 WeakPolarHBondContact O-CD 3.43Å
839	Y	95.6	Very high	91.4	Very high	5 Å²	5	43.1 Å²	43.1	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104.5	172.4	-69.4	-79	0	0	0	109.6	V807 H808 G809 T810 M837 L846 N851 S854 L855	V807-Y839 HydrophobicContact CG1-CD2 3.91Å; V807-Y839 HydrophobicContact CG1-CE2 3.64Å; H808-Y839 PolarHBondContact O-N 2.83Å; G809-Y839 CarbonylContact C-O 3.57Å; G809-Y839 VanDerWaalsContact CA-O 3.31Å; G809-Y839 WeakPolarHBondContact CA-O 3.22Å; T810-Y839 PolarHBondContact N-O 2.82Å; M837-Y839 HydrophobicContact CE-CD1 3.87Å; M837-Y839 HydrophobicContact CE-CE1 3.28Å; M837-Y839 HydrophobicContact CE-CE2 4.03Å; M837-Y839 HydrophobicContact CE-CG 4.44Å; M837-Y839 WeakPolarHBondContact CE-OH 3.49Å; M837-Y839 HydrophobicContact CG-CD2 4.2Å; M837-Y839 HydrophobicContact CG-CE1 4.5Å; M837-Y839 HydrophobicContact CG-CE2 3.5Å; Y839-L846 HydrophobicContact CD2-CD1 4.05Å; Y839-L846 HydrophobicContact CD2-CD2 4.19Å; Y839-L846 HydrophobicContact CE2-CD1 4.41Å; Y839-N851 HydrophobicContact CD1-CB 3.61Å; Y839-N851 HydrophobicContact CE1-CB 3.95Å; Y839-N851 HydrophobicContact CG-CB 4.34Å; Y839-S854 VanDerWaalsContact OH-C 3.23Å; Y839-S854 PolarHBondContact OH-OG 2.89Å; Y839-S854 VanDerWaalsContact OH-OG 3.08Å; Y839-L855 HydrophobicContact CE2-CB 4.15Å; Y839-L855 HydrophobicContact CE2-CD1 4.16Å; Y839-L855 WeakPolarHBondContact OH-CA 3.42Å; Y839-L855 PolarHBondContact OH-N 2.81Å
840	P	91.6	Very high	91.1	Very high	68 Å²	68	48 Å²	48	44%	0.442	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	142.4	174.9	-25.5	35.9	0	0	0	111.9	F330 T810 I838 D842	F330-P840 HydrophobicContact CD2-CB 3.84Å; F330-P840 HydrophobicContact CE2-CB 4.34Å; T810-P840 WeakPolarHBondContact OG1-CA 3.38Å; I838-P840 WeakPolarHBondContact O-CD 3.43Å; P840-D842 PolarHBondContact O-N 3.28Å
841	D	88.3	Confident	91.1	Very high	14 Å²	14	49.4 Å²	49.4	8%	0.075	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-5.2	175.1	-65.8	-62.6	0	0	0	116.9	K329 F330 D331 T810 A811 K848	K329-D841 WeakPolarHBondContact CA-OD1 3.43Å; K329-D841 WeakPolarHBondContact CB-OD1 3.32Å; F330-D841 WeakPolarHBondContact CA-OD2 3.3Å; F330-D841 VanDerWaalsContact CB-OD2 3.27Å; F330-D841 WeakPolarHBondContact CB-OD2 3.35Å; F330-D841 VanDerWaalsContact N-CG 3.31Å; F330-D841 PolarHBondContact N-OD1 2.88Å; F330-D841 PolarHBondContact N-OD2 3.02Å; D331-D841 VanDerWaalsContact CG-CG 3.4Å; D331-D841 PolarHBondContact N-OD1 3.32Å; D331-D841 PolarHBondContact N-OD2 2.76Å; D331-D841 VanDerWaalsContact N-OD2 3.12Å; D331-D841 WeakPolarHBondContact OD1-CB 3.33Å; T810-D841 PolarHBondContact OG1-N 2.84Å; A811-D841 WeakPolarHBondContact CB-O 3.39Å; D841-K848 WeakPolarHBondContact O-CE 3.39Å; D841-K848 PolarHBondContact O-NZ 2.48Å
842	D	90.8	Very high	91.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.			trans	-78.7	145.1	177.2	-104.4	-30	0	0	0	112.7	G809 A811 D812 P840 L846 S847 K848 N851	G809-D842 CarbonylContact C-O 3.48Å; A811-D842 CarbonylContact C-O 3.53Å; A811-D842 WeakPolarHBondContact CA-O 3.46Å; A811-D842 WeakPolarHBondContact CB-O 3.49Å; A811-D842 PolarHBondContact N-O 3.03Å; D812-D842 PolarHBondContact N-O 3.34Å; P840-D842 PolarHBondContact O-N 3.28Å; D842-L846 HydrophobicContact CB-CD2 3.91Å; D842-S847 PolarHBondContact OD1-N 2.87Å; D842-K848 WeakPolarHBondContact OD1-CB 3.11Å; D842-K848 WeakPolarHBondContact OD1-CG 3.39Å; D842-K848 PolarHBondContact OD1-N 3.4Å; D842-N851 WeakPolarHBondContact OD2-CB 3.3Å; D842-N851 VanDerWaalsContact OD2-CG 3.29Å; D842-N851 PolarHBondContact OD2-ND2 3.35Å
843	D	89.5	Confident	91.2	Very high	35 Å²	35	49.4 Å²	49.4	19%	0.187	25%	0.254	C	S	.	.			trans	-81.5	-167	174.2	64.6	17.1	0	0	0	111.9	F845 L846	D843-F845 PolarHBondContact O-N 2.81Å; D843-F845 VanDerWaalsContact O-N 3.1Å; D843-F845 WeakPolarHBondContact OD1-CB 3.46Å; D843-F845 PolarHBondContact OD1-N 3.26Å; D843-L846 WeakPolarHBondContact O-CD2 3.41Å; D843-L846 PolarHBondContact O-N 3.32Å; D843-L846 PolarHBondContact OD1-N 3.38Å
844	H	92.8	Very high	91.5	Very high	9 Å²	9	45.4 Å²	45.4	4%	0.042	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.2	179.4	-162.8	58.4	0	0	0	114.7	W735 S736 D812 N814 V815	W735-H844 AromaticContact CD1-NE2 3.93Å; W735-H844 VanDerWaalsContact CE2-O 3.3Å; W735-H844 WeakPolarHBondContact CZ2-O 3.36Å; W735-H844 AromaticContact NE1-NE2 3.96Å; W735-H844 PolarHBondContact NE1-O 2.79Å; S736-H844 WeakPolarHBondContact CB-NE2 3.29Å; S736-H844 PolarHBondContact OG-CE1 2.8Å; S736-H844 PolarHBondContact OG-NE2 3.16Å; D812-H844 VanDerWaalsContact CG-ND1 3.31Å; D812-H844 VanDerWaalsContact OD1-CB 3.27Å; D812-H844 WeakPolarHBondContact OD1-CB 3.37Å; D812-H844 IonicContact OD1-CG 3.77Å; D812-H844 IonicContact OD1-ND1 3.12Å; D812-H844 PolarHBondContact OD1-ND1 2.86Å; D812-H844 VanDerWaalsContact OD1-ND1 3.15Å; D812-H844 IonicContact OD2-CE1 3.07Å; D812-H844 IonicContact OD2-CG 2.56Å; D812-H844 IonicContact OD2-ND1 2.79Å; D812-H844 PolarHBondContact OD2-ND1 2.86Å; N814-H844 HydrophobicContact CB-CB 3.95Å; N814-H844 PolarHBondContact ND2-CD2 2.85Å; N814-H844 PolarHBondContact ND2-NE2 2.98Å; V815-H844 WeakPolarHBondContact CG2-CE1 3.48Å
845	F	89.5	Confident	91.7	Very high	72 Å²	72	43.4 Å²	43.4	32%	0.316	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-10.9	-174.2	-64.3	-74.6	0	0	0	114.4	R198 W735 D843 S847	R198-F845 HydrophobicContact CB-CE2 3.93Å; R198-F845 HydrophobicContact CB-CZ 4.46Å; R198-F845 HydrophobicContact CG-CE2 3.54Å; R198-F845 HydrophobicContact CG-CZ 3.58Å; W735-F845 WeakPolarHBondContact CH2-O 3.38Å; D843-F845 PolarHBondContact O-N 2.81Å; D843-F845 VanDerWaalsContact O-N 3.1Å; D843-F845 WeakPolarHBondContact OD1-CB 3.46Å; D843-F845 PolarHBondContact OD1-N 3.26Å; F845-S847 VanDerWaalsContact C-N 3.27Å; F845-S847 PolarHBondContact O-N 3.21Å
846	L	91.8	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.			trans	54.1	43.2	176.4	-48.3	179.3	0	0	0	112.7	W735 V760 V807 G809 Y839 D842 D843 L852 L855	W735-L846 HydrophobicContact CH2-CB 4.01Å; W735-L846 HydrophobicContact CH2-CD1 3.79Å; W735-L846 HydrophobicContact CH2-CG 3.95Å; W735-L846 HydrophobicContact CZ2-CB 4.17Å; W735-L846 HydrophobicContact CZ2-CD1 3.79Å; W735-L846 HydrophobicContact CZ2-CG 3.72Å; V760-L846 HydrophobicContact CG1-CD1 3.56Å; V807-L846 HydrophobicContact CG1-CD1 3.73Å; G809-L846 VanDerWaalsContact CA-CD2 3.49Å; G809-L846 VanDerWaalsContact N-CD2 3.33Å; Y839-L846 HydrophobicContact CD2-CD1 4.05Å; Y839-L846 HydrophobicContact CD2-CD2 4.19Å; Y839-L846 HydrophobicContact CE2-CD1 4.41Å; D842-L846 HydrophobicContact CB-CD2 3.91Å; D843-L846 WeakPolarHBondContact O-CD2 3.41Å; D843-L846 PolarHBondContact O-N 3.32Å; D843-L846 PolarHBondContact OD1-N 3.38Å; L846-L852 WeakPolarHBondContact O-CA 3.33Å; L846-L852 PolarHBondContact O-N 2.92Å; L846-L855 HydrophobicContact CB-CD2 4.14Å; L846-L855 HydrophobicContact CD1-CD2 3.68Å
847	S	84.6	Confident	91.7	Very high	32 Å²	32	42.6 Å²	42.6	22%	0.224	21%	0.212	C	C	.	.			trans	-110.4	-0.7	-165.7	70.7	0	0	0	0	114.8	D842 F845 G849	D842-S847 PolarHBondContact OD1-N 2.87Å; F845-S847 VanDerWaalsContact C-N 3.27Å; F845-S847 PolarHBondContact O-N 3.21Å; S847-G849 PolarHBondContact O-N 2.91Å
848	K	80.3	Confident	91.7	Very high	76 Å²	76	43.7 Å²	43.7	33%	0.33	22%	0.216	S	C	.	.	S	Bend	trans	-69.3	131.9	179.3	-70.5	178.1	167.3	-171.1	0	111.8	D331 D841 D842 R850 N851	D331-K848 IonicContact OD2-NZ 2.78Å; D331-K848 PolarHBondContact OD2-NZ 2.95Å; D841-K848 WeakPolarHBondContact O-CE 3.39Å; D841-K848 PolarHBondContact O-NZ 2.48Å; D842-K848 WeakPolarHBondContact OD1-CB 3.11Å; D842-K848 WeakPolarHBondContact OD1-CG 3.39Å; D842-K848 PolarHBondContact OD1-N 3.4Å; K848-R850 PolarHBondContact O-N 2.77Å; K848-R850 VanDerWaalsContact O-N 3.17Å; K848-N851 VanDerWaalsContact O-CB 3.23Å; K848-N851 WeakPolarHBondContact O-CB 3.04Å; K848-N851 VanDerWaalsContact O-CG 3.25Å; K848-N851 PolarHBondContact O-N 3.13Å
849	G	82.4	Confident	91.7	Very high	41 Å²	41	41.1 Å²	41.1	42%	0.423	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-120	172.7	0	0	0	0	0	112.7	S847	S847-G849 PolarHBondContact O-N 2.91Å
850	R	87.7	Confident	91.8	Very high	187 Å²	187	41.4 Å²	41.4	71%	0.706	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	8.7	-179.9	-62.3	-169.3	-179	-175.2	-0.3	113.9	K848 L852 E853 S854	K848-R850 PolarHBondContact O-N 2.77Å; K848-R850 VanDerWaalsContact O-N 3.17Å; R850-L852 PolarHBondContact O-N 3Å; R850-E853 WeakPolarHBondContact O-CB 3.28Å; R850-E853 PolarHBondContact O-N 3.43Å; R850-S854 PolarHBondContact O-N 3.05Å
851	N	92.5	Very high	92.1	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-37.6	-171.6	-67.2	-8.7	0	0	0	112.2	Y839 D842 K848 E853 S854 L855	Y839-N851 HydrophobicContact CD1-CB 3.61Å; Y839-N851 HydrophobicContact CE1-CB 3.95Å; Y839-N851 HydrophobicContact CG-CB 4.34Å; D842-N851 WeakPolarHBondContact OD2-CB 3.3Å; D842-N851 VanDerWaalsContact OD2-CG 3.29Å; D842-N851 PolarHBondContact OD2-ND2 3.35Å; K848-N851 VanDerWaalsContact O-CB 3.23Å; K848-N851 WeakPolarHBondContact O-CB 3.04Å; K848-N851 VanDerWaalsContact O-CG 3.25Å; K848-N851 PolarHBondContact O-N 3.13Å; N851-E853 VanDerWaalsContact C-N 3.34Å; N851-E853 PolarHBondContact O-N 2.82Å; N851-S854 WeakPolarHBondContact O-CB 3.29Å; N851-S854 PolarHBondContact O-N 3.41Å; N851-L855 WeakPolarHBondContact O-CB 3.24Å; N851-L855 PolarHBondContact O-N 2.91Å
852	L	91.2	Very high	92.5	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-40.4	174	-171.3	66.9	0	0	0	112.4	Q15 L846 R850 L855 Y856	Q15-L852 HydrophobicContact CB-CD2 3.61Å; Q15-L852 HydrophobicContact CG-CD2 4.35Å; L846-L852 WeakPolarHBondContact O-CA 3.33Å; L846-L852 PolarHBondContact O-N 2.92Å; R850-L852 PolarHBondContact O-N 3Å; L852-L855 HydrophobicContact CD1-CD2 4.33Å; L852-L855 WeakPolarHBondContact O-CB 3.17Å; L852-L855 PolarHBondContact O-N 3.45Å; L852-Y856 HydrophobicContact CD1-CD2 4.4Å; L852-Y856 HydrophobicContact CD1-CE1 4.22Å; L852-Y856 HydrophobicContact CD1-CE2 3.74Å; L852-Y856 HydrophobicContact CD2-CE2 3.96Å; L852-Y856 HydrophobicContact CG-CD2 4.05Å; L852-Y856 HydrophobicContact CG-CE2 3.6Å; L852-Y856 WeakPolarHBondContact O-CD2 3.44Å; L852-Y856 PolarHBondContact O-N 2.94Å
853	E	94.2	Very high	92.9	Very high	54 Å²	54	42.9 Å²	42.9	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-61.9	-46.7	175	-166.4	-155.7	122.2	0	0	111	F118 M122 R850 N851 L855 Y856 R857	F118-E853 HydrophobicContact CE1-CG 3.47Å; F118-E853 VanDerWaalsContact CE1-CG 3.47Å; F118-E853 HydrophobicContact CZ-CG 3.86Å; F118-E853 WeakPolarHBondContact CZ-O 3.34Å; M122-E853 HydrophobicContact CE-CB 3.72Å; M122-E853 HydrophobicContact CE-CG 4.11Å; M122-E853 HydrophobicContact CG-CG 4.26Å; M122-E853 HydrophobicContact SD-CB 4.22Å; M122-E853 HydrophobicContact SD-CG 4.17Å; R850-E853 WeakPolarHBondContact O-CB 3.28Å; R850-E853 PolarHBondContact O-N 3.43Å; N851-E853 VanDerWaalsContact C-N 3.34Å; N851-E853 PolarHBondContact O-N 2.82Å; E853-L855 VanDerWaalsContact C-N 3.29Å; E853-L855 PolarHBondContact O-N 2.91Å; E853-Y856 PolarHBondContact O-N 2.8Å; E853-R857 WeakPolarHBondContact O-CB 3.29Å; E853-R857 PolarHBondContact O-N 2.85Å; E853-R857 IonicContact OE1-CZ 2.7Å; E853-R857 IonicContact OE1-NH1 4Å; E853-R857 PolarHBondContact OE1-NH1 2.93Å
854	S	96.5	Very high	93.2	Very high	30 Å²	30	44 Å²	44	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-41.7	174.7	177.1	0	0	0	0	111.8	Y839 R850 N851 R857 K858	Y839-S854 VanDerWaalsContact OH-C 3.23Å; Y839-S854 PolarHBondContact OH-OG 2.89Å; Y839-S854 VanDerWaalsContact OH-OG 3.08Å; R850-S854 PolarHBondContact O-N 3.05Å; N851-S854 WeakPolarHBondContact O-CB 3.29Å; N851-S854 PolarHBondContact O-N 3.41Å; S854-R857 PolarHBondContact O-N 3.16Å; S854-K858 VanDerWaalsContact O-CB 3.3Å; S854-K858 WeakPolarHBondContact O-CB 3.45Å; S854-K858 PolarHBondContact O-N 3.38Å
855	L	97.3	Very high	93.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-53	179.3	174.3	57.1	0	0	0	111.1	W735 V807 Y839 L846 N851 L852 E853 R857 K858 M859	W735-L855 HydrophobicContact CH2-CD2 3.4Å; W735-L855 VanDerWaalsContact CH2-CD2 3.4Å; W735-L855 HydrophobicContact CZ3-CD2 3.4Å; V807-L855 HydrophobicContact CB-CD1 4.32Å; V807-L855 HydrophobicContact CG1-CD1 3.68Å; V807-L855 HydrophobicContact CG2-CD1 4.05Å; Y839-L855 HydrophobicContact CE2-CB 4.15Å; Y839-L855 HydrophobicContact CE2-CD1 4.16Å; Y839-L855 WeakPolarHBondContact OH-CA 3.42Å; Y839-L855 PolarHBondContact OH-N 2.81Å; L846-L855 HydrophobicContact CB-CD2 4.14Å; L846-L855 HydrophobicContact CD1-CD2 3.68Å; N851-L855 WeakPolarHBondContact O-CB 3.24Å; N851-L855 PolarHBondContact O-N 2.91Å; L852-L855 HydrophobicContact CD1-CD2 4.33Å; L852-L855 WeakPolarHBondContact O-CB 3.17Å; L852-L855 PolarHBondContact O-N 3.45Å; E853-L855 VanDerWaalsContact C-N 3.29Å; E853-L855 PolarHBondContact O-N 2.91Å; L855-R857 VanDerWaalsContact C-N 3.33Å; L855-R857 PolarHBondContact O-N 3.26Å; L855-K858 PolarHBondContact O-N 2.7Å; L855-K858 VanDerWaalsContact O-N 3.16Å; L855-M859 HydrophobicContact CD1-CG 3.84Å; L855-M859 HydrophobicContact CD1-SD 3.45Å; L855-M859 WeakPolarHBondContact CD1-SD 3.33Å; L855-M859 HydrophobicContact CD2-SD 4.36Å; L855-M859 HydrophobicContact CG-CG 4.43Å; L855-M859 HydrophobicContact CG-SD 3.63Å; L855-M859 WeakPolarHBondContact O-CB 3.48Å; L855-M859 VanDerWaalsContact O-CG 3.29Å; L855-M859 WeakPolarHBondContact O-CG 3.21Å; L855-M859 PolarHBondContact O-N 3.34Å
856	Y	97	Very high	93.7	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-40.1	-179.7	-68.8	-28.1	0	0	0	112.9	Q15 L121 M122 W668 L852 E853 M859 T860	Q15-Y856 PolarHBondContact NE2-OH 3.43Å; Q15-Y856 PolarHBondContact OE1-OH 2.64Å; L121-Y856 HydrophobicContact CD2-CD2 4.01Å; L121-Y856 HydrophobicContact CD2-CG 4.47Å; M122-Y856 HydrophobicContact SD-CD2 4.23Å; W668-Y856 HydrophobicContact CB-CD1 3.75Å; W668-Y856 HydrophobicContact CB-CD2 4.44Å; W668-Y856 HydrophobicContact CB-CE1 3.6Å; W668-Y856 HydrophobicContact CB-CE2 4.3Å; W668-Y856 HydrophobicContact CB-CG 4.17Å; W668-Y856 AromaticContact CD1-CD1 3.57Å; W668-Y856 AromaticContact CD1-CG 3.63Å; W668-Y856 HydrophobicContact CD2-CD1 4.3Å; W668-Y856 AromaticContact CG-CD1 3.58Å; W668-Y856 HydrophobicContact CG-CD1 3.58Å; W668-Y856 AromaticContact CG-CE1 3.9Å; W668-Y856 HydrophobicContact CG-CE1 3.9Å; W668-Y856 HydrophobicContact CG-CG 4.04Å; W668-Y856 PolarHBondContact NE1-O 2.76Å; L852-Y856 HydrophobicContact CD1-CD2 4.4Å; L852-Y856 HydrophobicContact CD1-CE1 4.22Å; L852-Y856 HydrophobicContact CD1-CE2 3.74Å; L852-Y856 HydrophobicContact CD2-CE2 3.96Å; L852-Y856 HydrophobicContact CG-CD2 4.05Å; L852-Y856 HydrophobicContact CG-CE2 3.6Å; L852-Y856 WeakPolarHBondContact O-CD2 3.44Å; L852-Y856 PolarHBondContact O-N 2.94Å; E853-Y856 PolarHBondContact O-N 2.8Å; Y856-M859 HydrophobicContact CD1-SD 4.39Å; Y856-T860 WeakPolarHBondContact O-CB 3.49Å; Y856-T860 PolarHBondContact O-N 3.09Å; Y856-T860 PolarHBondContact O-OG1 2.69Å
857	R	96.7	Very high	93.9	Very high	108 Å²	108	41.9 Å²	41.9	41%	0.408	21%	0.205	S	C	.	.	H	α-helix	trans	-61.9	-47	172.7	-178.1	172.2	56.9	-107.2	0.6	111.9	F118 E853 S854 L855 T860 I861	F118-R857 HydrophobicContact CZ-CB 4.35Å; E853-R857 WeakPolarHBondContact O-CB 3.29Å; E853-R857 PolarHBondContact O-N 2.85Å; E853-R857 IonicContact OE1-CZ 2.7Å; E853-R857 IonicContact OE1-NH1 4Å; E853-R857 PolarHBondContact OE1-NH1 2.93Å; S854-R857 PolarHBondContact O-N 3.16Å; L855-R857 VanDerWaalsContact C-N 3.33Å; L855-R857 PolarHBondContact O-N 3.26Å; R857-T860 PolarHBondContact O-N 2.82Å; R857-I861 HydrophobicContact CG-CD1 3.77Å; R857-I861 WeakPolarHBondContact O-CB 3.44Å; R857-I861 VanDerWaalsContact O-CG1 3.26Å; R857-I861 WeakPolarHBondContact O-CG1 3.42Å; R857-I861 PolarHBondContact O-N 2.6Å
858	K	97.8	Very high	94.4	Very high	70 Å²	70	45.1 Å²	45.1	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-61.2	-45.5	179.4	177.7	64.5	177	-175.6	0	111.7	L805 S854 L855 I861 F862	L805-K858 HydrophobicContact CD1-CG 4.46Å; L805-K858 HydrophobicContact CD2-CG 4.12Å; S854-K858 VanDerWaalsContact O-CB 3.3Å; S854-K858 WeakPolarHBondContact O-CB 3.45Å; S854-K858 PolarHBondContact O-N 3.38Å; L855-K858 PolarHBondContact O-N 2.7Å; L855-K858 VanDerWaalsContact O-N 3.16Å; K858-I861 PolarHBondContact O-N 2.82Å; K858-F862 WeakPolarHBondContact O-CB 3.47Å; K858-F862 PolarHBondContact O-N 3Å
859	M	98.2	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-45.6	177.8	-72.4	172.7	49.2	0	0	112	W668 Y733 I758 V760 L805 L855 Y856 F862 L863	W668-M859 HydrophobicContact CD2-CE 4.01Å; W668-M859 HydrophobicContact CE3-CE 3.74Å; W668-M859 HydrophobicContact CH2-CB 4.2Å; W668-M859 HydrophobicContact CH2-CE 3.55Å; W668-M859 HydrophobicContact CZ2-CB 3.7Å; W668-M859 HydrophobicContact CZ2-CE 3.87Å; W668-M859 HydrophobicContact CZ3-CE 3.51Å; Y733-M859 HydrophobicContact CD1-CE 4.31Å; Y733-M859 HydrophobicContact CD2-CE 3.61Å; Y733-M859 HydrophobicContact CE1-CE 4.02Å; Y733-M859 HydrophobicContact CE2-CE 3.25Å; Y733-M859 HydrophobicContact CE2-SD 4.21Å; Y733-M859 HydrophobicContact CG-CE 4.12Å; Y733-M859 VanDerWaalsContact CZ-CE 3.47Å; I758-M859 HydrophobicContact CD1-CB 3.78Å; I758-M859 HydrophobicContact CD1-CE 4.33Å; I758-M859 HydrophobicContact CD1-CG 3.99Å; I758-M859 HydrophobicContact CG2-CE 4.32Å; I758-M859 HydrophobicContact CG2-CG 3.98Å; I758-M859 HydrophobicContact CG2-SD 4.33Å; V760-M859 HydrophobicContact CG2-SD 4.22Å; L805-M859 HydrophobicContact CD2-CG 4.27Å; L855-M859 HydrophobicContact CD1-CG 3.84Å; L855-M859 HydrophobicContact CD1-SD 3.45Å; L855-M859 WeakPolarHBondContact CD1-SD 3.33Å; L855-M859 HydrophobicContact CD2-SD 4.36Å; L855-M859 HydrophobicContact CG-CG 4.43Å; L855-M859 HydrophobicContact CG-SD 3.63Å; L855-M859 WeakPolarHBondContact O-CB 3.48Å; L855-M859 VanDerWaalsContact O-CG 3.29Å; L855-M859 WeakPolarHBondContact O-CG 3.21Å; L855-M859 PolarHBondContact O-N 3.34Å; Y856-M859 HydrophobicContact CD1-SD 4.39Å; M859-F862 PolarHBondContact O-N 2.98Å; M859-L863 PolarHBondContact O-N 3.21Å
860	T	97.9	Very high	95.1	Very high	11 Å²	11	51 Å²	51	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-47.8	176.8	-66.5	0	0	0	0	111.6	W668 Y671 I672 Y856 R857 F862 L863 L864	W668-T860 PolarHBondContact NE1-OG1 3.3Å; Y671-T860 HydrophobicContact CE1-CG2 4.14Å; I672-T860 HydrophobicContact CD1-CG2 3.85Å; Y856-T860 WeakPolarHBondContact O-CB 3.49Å; Y856-T860 PolarHBondContact O-N 3.09Å; Y856-T860 PolarHBondContact O-OG1 2.69Å; R857-T860 PolarHBondContact O-N 2.82Å; T860-F862 VanDerWaalsContact C-N 3.33Å; T860-F862 PolarHBondContact O-N 2.87Å; T860-L863 PolarHBondContact O-N 3.28Å; T860-L864 HydrophobicContact CG2-CD1 3.9Å; T860-L864 HydrophobicContact CG2-CG 4.39Å; T860-L864 WeakPolarHBondContact O-CB 3.27Å; T860-L864 WeakPolarHBondContact O-CG 3.32Å; T860-L864 PolarHBondContact O-N 2.78Å
861	I	97.1	Very high	94.8	Very high	104 Å²	104	44.2 Å²	44.2	53%	0.533	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-45.5	178.9	-69.7	166.8	0	0	0	110.6	R857 K858 L864 D865	R857-I861 HydrophobicContact CG-CD1 3.77Å; R857-I861 WeakPolarHBondContact O-CB 3.44Å; R857-I861 VanDerWaalsContact O-CG1 3.26Å; R857-I861 WeakPolarHBondContact O-CG1 3.42Å; R857-I861 PolarHBondContact O-N 2.6Å; K858-I861 PolarHBondContact O-N 2.82Å; I861-L864 PolarHBondContact O-N 2.96Å; I861-D865 WeakPolarHBondContact O-CB 3.34Å; I861-D865 PolarHBondContact O-N 2.99Å
862	F	97.8	Very high	94.4	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-45.1	179.3	171.4	-93.1	0	0	0	112.7	C756 I758 L805 D835 K858 M859 T860 C866	C756-F862 HydrophobicContact CB-CE1 3.97Å; C756-F862 HydrophobicContact CB-CZ 4Å; I758-F862 HydrophobicContact CD1-CD1 3.94Å; I758-F862 HydrophobicContact CD1-CE1 4.5Å; I758-F862 HydrophobicContact CG1-CD1 3.54Å; I758-F862 HydrophobicContact CG1-CE1 3.68Å; L805-F862 HydrophobicContact CB-CD1 3.83Å; L805-F862 HydrophobicContact CB-CD2 3.74Å; L805-F862 HydrophobicContact CB-CE1 3.78Å; L805-F862 HydrophobicContact CB-CE2 3.68Å; L805-F862 HydrophobicContact CB-CG 3.8Å; L805-F862 HydrophobicContact CB-CZ 3.68Å; L805-F862 HydrophobicContact CD2-CB 3.86Å; L805-F862 HydrophobicContact CD2-CD1 4.19Å; L805-F862 HydrophobicContact CD2-CD2 4.46Å; L805-F862 HydrophobicContact CD2-CG 3.93Å; L805-F862 HydrophobicContact CG-CG 4.45Å; D835-F862 WeakPolarHBondContact OD2-CD2 3.43Å; D835-F862 WeakPolarHBondContact OD2-CE2 3.15Å; K858-F862 WeakPolarHBondContact O-CB 3.47Å; K858-F862 PolarHBondContact O-N 3Å; M859-F862 PolarHBondContact O-N 2.98Å; T860-F862 VanDerWaalsContact C-N 3.33Å; T860-F862 PolarHBondContact O-N 2.87Å; F862-C866 WeakPolarHBondContact O-CB 3.08Å; F862-C866 PolarHBondContact O-N 2.88Å
863	L	97.8	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-45.3	178.2	-77.1	-178.4	0	0	0	112.2	L648 W668 I758 M859 T860 D865 C866 Y867	L648-L863 HydrophobicContact CD1-CD1 3.77Å; L648-L863 HydrophobicContact CD1-CD2 4Å; L648-L863 HydrophobicContact CD2-CD1 3.77Å; L648-L863 HydrophobicContact CG-CD1 4.35Å; W668-L863 HydrophobicContact CH2-CD1 3.45Å; W668-L863 VanDerWaalsContact CH2-CD1 3.45Å; W668-L863 HydrophobicContact CZ2-CD1 3.97Å; I758-L863 HydrophobicContact CD1-CD1 4Å; I758-L863 HydrophobicContact CD1-CD2 3.91Å; I758-L863 HydrophobicContact CD1-CG 3.6Å; I758-L863 HydrophobicContact CG1-CD2 4.33Å; M859-L863 PolarHBondContact O-N 3.21Å; T860-L863 PolarHBondContact O-N 3.28Å; L863-D865 VanDerWaalsContact C-N 3.33Å; L863-D865 PolarHBondContact O-N 2.7Å; L863-C866 WeakPolarHBondContact O-CB 3.32Å; L863-C866 PolarHBondContact O-N 2.93Å; L863-Y867 HydrophobicContact CB-CE2 4.1Å; L863-Y867 VanDerWaalsContact O-CD2 3.23Å; L863-Y867 WeakPolarHBondContact O-CD2 3.36Å; L863-Y867 PolarHBondContact O-N 2.81Å
864	L	96.9	Very high	93.1	Very high	58 Å²	58	50 Å²	50	30%	0.304	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-39.4	179.8	-70	-179.2	0	0	0	111.9	A676 T860 I861 C866 Y867 N868	A676-L864 HydrophobicContact CB-CD2 3.99Å; T860-L864 HydrophobicContact CG2-CD1 3.9Å; T860-L864 HydrophobicContact CG2-CG 4.39Å; T860-L864 WeakPolarHBondContact O-CB 3.27Å; T860-L864 WeakPolarHBondContact O-CG 3.32Å; T860-L864 PolarHBondContact O-N 2.78Å; I861-L864 PolarHBondContact O-N 2.96Å; L864-C866 VanDerWaalsContact C-N 3.32Å; L864-Y867 PolarHBondContact O-N 2.81Å; L864-N868 WeakPolarHBondContact O-CB 3.42Å; L864-N868 PolarHBondContact O-N 3.41Å; L864-N868 PolarHBondContact O-ND2 2.87Å
865	D	96	Very high	92.3	Very high	23 Å²	23	53 Å²	53	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-42.8	172.5	179.6	50.4	0	0	0	111.4	I861 L863 K869 T870 S871 K873	I861-D865 WeakPolarHBondContact O-CB 3.34Å; I861-D865 PolarHBondContact O-N 2.99Å; L863-D865 VanDerWaalsContact C-N 3.33Å; L863-D865 PolarHBondContact O-N 2.7Å; D865-K869 WeakPolarHBondContact O-CA 3.48Å; D865-K869 PolarHBondContact O-N 3.3Å; D865-T870 PolarHBondContact O-N 2.88Å; D865-T870 PolarHBondContact OD1-N 3.46Å; D865-T870 PolarHBondContact OD1-OG1 2.85Å; D865-S871 WeakPolarHBondContact OD1-CB 3.4Å; D865-S871 PolarHBondContact OD1-N 3.05Å; D865-S871 WeakPolarHBondContact OD2-CB 3.5Å; D865-K873 WeakPolarHBondContact OD2-CE 3.26Å; D865-K873 IonicContact OD2-NZ 2.7Å
866	C	95.7	Very high	91.2	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-45.7	176.6	166.9	0	0	0	0	113.5	C756 F862 L863 L864 Y874	C756-C866 HydrophobicContact CB-CB 3.73Å; C756-C866 WeakPolarHBondContact CB-SG 3.29Å; C756-C866 WeakPolarHBondContact SG-CB 3.27Å; C756-C866 CovalentContact SG-SG 2.02Å; C756-C866 PolarHBondContact SG-SG 2.87Å; F862-C866 WeakPolarHBondContact O-CB 3.08Å; F862-C866 PolarHBondContact O-N 2.88Å; L863-C866 WeakPolarHBondContact O-CB 3.32Å; L863-C866 PolarHBondContact O-N 2.93Å; L864-C866 VanDerWaalsContact C-N 3.32Å; C866-Y874 VanDerWaalsContact CA-OH 3.26Å; C866-Y874 WeakPolarHBondContact CA-OH 3.35Å
867	Y	96.7	Very high	89.9	Confident	8 Å²	8	64.3 Å²	64.3	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-69.8	-38.4	-179.1	-63.3	-37.5	0	0	0	112.5	P646 L647 V678 Q729 L863 L864	P646-Y867 HydrophobicContact CB-CD1 4.06Å; P646-Y867 HydrophobicContact CB-CD2 3.68Å; P646-Y867 HydrophobicContact CB-CE1 4.11Å; P646-Y867 HydrophobicContact CB-CE2 3.76Å; P646-Y867 HydrophobicContact CB-CG 3.84Å; P646-Y867 HydrophobicContact CG-CD2 4.05Å; P646-Y867 HydrophobicContact CG-CG 4.17Å; L647-Y867 PolarHBondContact O-OH 2.97Å; V678-Y867 HydrophobicContact CG1-CE2 4.14Å; V678-Y867 HydrophobicContact CG2-CD2 4.36Å; V678-Y867 HydrophobicContact CG2-CE2 3.97Å; Q729-Y867 HydrophobicContact CB-CD1 3.82Å; Q729-Y867 HydrophobicContact CB-CE1 4.47Å; Q729-Y867 HydrophobicContact CB-CG 4.35Å; Q729-Y867 PolarHBondContact NE2-O 2.93Å; Q729-Y867 VanDerWaalsContact O-CE1 3.26Å; Q729-Y867 WeakPolarHBondContact O-CE1 3.03Å; L863-Y867 HydrophobicContact CB-CE2 4.1Å; L863-Y867 VanDerWaalsContact O-CD2 3.23Å; L863-Y867 WeakPolarHBondContact O-CD2 3.36Å; L863-Y867 PolarHBondContact O-N 2.81Å; L864-Y867 PolarHBondContact O-N 2.81Å
868	N	94.4	Very high	88.5	Confident	100 Å²	100	63.9 Å²	63.9	54%	0.535	34%	0.337	S	S	.	.	H	α-helix	trans	-92.6	-9.3	-176.9	-63.7	-32.5	0	0	0	113.6	L864 T870	L864-N868 WeakPolarHBondContact O-CB 3.42Å; L864-N868 PolarHBondContact O-N 3.41Å; L864-N868 PolarHBondContact O-ND2 2.87Å; N868-T870 VanDerWaalsContact C-N 3.28Å; N868-T870 HydrophobicContact CB-CG2 3.79Å; N868-T870 PolarHBondContact O-N 2.9Å
869	K	89.8	Confident	86.9	Confident	136 Å²	136	64.2 Å²	64.2	59%	0.591	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.8	-176.1	-60.2	-177.8	179.9	178.7	0	112.9	D865 Y874	D865-K869 WeakPolarHBondContact O-CA 3.48Å; D865-K869 PolarHBondContact O-N 3.3Å; K869-Y874 HydrophobicContact CB-CD2 3.96Å; K869-Y874 HydrophobicContact CB-CG 3.9Å; K869-Y874 HydrophobicContact CG-CD1 4.18Å; K869-Y874 HydrophobicContact CG-CD2 4.37Å; K869-Y874 HydrophobicContact CG-CG 4.06Å
870	T	87	Confident	85.3	Confident	104 Å²	104	70 Å²	70	64%	0.638	38%	0.384	S	S	*	.			trans	-78.4	-28.1	-173	41.9	0	0	0	0	113.8	D865 N868	D865-T870 PolarHBondContact O-N 2.88Å; D865-T870 PolarHBondContact OD1-N 3.46Å; D865-T870 PolarHBondContact OD1-OG1 2.85Å; N868-T870 VanDerWaalsContact C-N 3.28Å; N868-T870 HydrophobicContact CB-CG2 3.79Å; N868-T870 PolarHBondContact O-N 2.9Å
871	S	83.4	Confident	83.5	Confident	45 Å²	45	78.1 Å²	78.1	32%	0.315	42%	0.418	S	S	.	.	S	Bend	trans	-77.1	146.5	-179.6	174.1	0	0	0	0	112.9	D865 K873 Y874	D865-S871 WeakPolarHBondContact OD1-CB 3.4Å; D865-S871 PolarHBondContact OD1-N 3.05Å; D865-S871 WeakPolarHBondContact OD2-CB 3.5Å; S871-K873 PolarHBondContact O-N 3.49Å; S871-K873 VanDerWaalsContact O-N 3.07Å; S871-K873 PolarHBondContact OG-N 2.75Å; S871-Y874 WeakPolarHBondContact O-CD2 3.09Å; S871-Y874 PolarHBondContact O-N 2.65Å; S871-Y874 VanDerWaalsContact O-N 3.09Å
872	V	82.6	Confident	81.6	Confident	91 Å²	91	81 Å²	81	55%	0.552	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-56.7	-24.7	176.4	179	0	0	0	0	112.1	Y874 S875 M876	V872-Y874 PolarHBondContact O-N 3.1Å; V872-Y874 VanDerWaalsContact O-N 3.11Å; V872-S875 WeakPolarHBondContact CA-OG 3.41Å; V872-S875 WeakPolarHBondContact O-CA 3.48Å; V872-S875 PolarHBondContact O-N 2.76Å; V872-S875 PolarHBondContact O-OG 2.85Å; V872-M876 HydrophobicContact CG1-CE 4.29Å; V872-M876 HydrophobicContact CG1-CG 3.89Å; V872-M876 HydrophobicContact CG1-SD 3.91Å; V872-M876 PolarHBondContact O-N 3.34Å; V872-M876 VanDerWaalsContact O-N 3.09Å
873	K	79.3	Confident	79.1	Confident	61 Å²	61	91.8 Å²	91.8	27%	0.265	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-56.1	-28.8	176.1	76.2	-172.6	179.6	-172.5	0	113.4	D835 D865 S871 S875	D835-K873 IonicContact OD2-NZ 2.84Å; D835-K873 PolarHBondContact OD2-NZ 3.49Å; D835-K873 VanDerWaalsContact OD2-NZ 3.12Å; D865-K873 WeakPolarHBondContact OD2-CE 3.26Å; D865-K873 IonicContact OD2-NZ 2.7Å; S871-K873 PolarHBondContact O-N 3.49Å; S871-K873 VanDerWaalsContact O-N 3.07Å; S871-K873 PolarHBondContact OG-N 2.75Å; K873-S875 VanDerWaalsContact C-N 3.31Å
874	Y	79.4	Confident	78.1	Confident	73 Å²	73	96.4 Å²	96.4	29%	0.286	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-81.6	-9.8	176.6	-62.4	-69.9	0	0	0	113.7	C866 K869 S871 V872	C866-Y874 VanDerWaalsContact CA-OH 3.26Å; C866-Y874 WeakPolarHBondContact CA-OH 3.35Å; K869-Y874 HydrophobicContact CB-CD2 3.96Å; K869-Y874 HydrophobicContact CB-CG 3.9Å; K869-Y874 HydrophobicContact CG-CD1 4.18Å; K869-Y874 HydrophobicContact CG-CD2 4.37Å; K869-Y874 HydrophobicContact CG-CG 4.06Å; S871-Y874 WeakPolarHBondContact O-CD2 3.09Å; S871-Y874 PolarHBondContact O-N 2.65Å; S871-Y874 VanDerWaalsContact O-N 3.09Å; V872-Y874 PolarHBondContact O-N 3.1Å; V872-Y874 VanDerWaalsContact O-N 3.11Å
875	S	78.6	Confident	77.1	Confident	94 Å²	94	98.4 Å²	98.4	66%	0.657	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-13.2	178.7	67.5	0	0	0	0	113.7	V872 K873	V872-S875 WeakPolarHBondContact CA-OG 3.41Å; V872-S875 WeakPolarHBondContact O-CA 3.48Å; V872-S875 PolarHBondContact O-N 2.76Å; V872-S875 PolarHBondContact O-OG 2.85Å; K873-S875 VanDerWaalsContact C-N 3.31Å
876	M	75.1	Confident	76.1	Confident	118 Å²	118	102.6 Å²	102.6	58%	0.581	55%	0.55	S	S	*	.	S	Bend	trans	-86	131	178	-75	176.5	137.2	0	0	110.7	V872 L878	V872-M876 HydrophobicContact CG1-CE 4.29Å; V872-M876 HydrophobicContact CG1-CG 3.89Å; V872-M876 HydrophobicContact CG1-SD 3.91Å; V872-M876 PolarHBondContact O-N 3.34Å; V872-M876 VanDerWaalsContact O-N 3.09Å; M876-L878 HydrophobicContact CB-CD2 4.12Å; M876-L878 HydrophobicContact CB-CG 4.24Å; M876-L878 PolarHBondContact O-N 3.44Å
877	D	70.4	Confident	74.9	Confident	133 Å²	133	108.3 Å²	108.3	71%	0.711	58%	0.58	S	S	*	*			trans	-77.2	102.2	162.2	-174.5	0.9	0	0	0	108.1	S879	D877-S879 VanDerWaalsContact C-N 3.29Å; D877-S879 VanDerWaalsContact OD1-CB 3.25Å; D877-S879 WeakPolarHBondContact OD1-CB 3.48Å; D877-S879 PolarHBondContact OD1-N 3.43Å; D877-S879 PolarHBondContact OD1-OG 3.34Å; D877-S879 PolarHBondContact OD2-OG 3.36Å
878	L	67.6	Low	73.6	Confident	98 Å²	98	114.6 Å²	114.6	51%	0.513	61%	0.614	S	S	.	*			trans	-89.3	6.2	177.2	-63	174.2	0	0	0	112.2	M876 V880	M876-L878 HydrophobicContact CB-CD2 4.12Å; M876-L878 HydrophobicContact CB-CG 4.24Å; M876-L878 PolarHBondContact O-N 3.44Å; L878-V880 PolarHBondContact O-N 3.21Å
879	S	64.1	Low	72.2	Confident	78 Å²	78	115.5 Å²	115.5	55%	0.545	62%	0.619	S	S	.	*			trans	-66.5	104.9	176.1	67	0	0	0	0	110.1	D877 K881	D877-S879 VanDerWaalsContact C-N 3.29Å; D877-S879 VanDerWaalsContact OD1-CB 3.25Å; D877-S879 WeakPolarHBondContact OD1-CB 3.48Å; D877-S879 PolarHBondContact OD1-N 3.43Å; D877-S879 PolarHBondContact OD1-OG 3.34Å; D877-S879 PolarHBondContact OD2-OG 3.36Å; S879-K881 PolarHBondContact O-N 3.39Å; S879-K881 VanDerWaalsContact O-N 3.15Å
880	V	62.6	Low	70.9	Confident	121 Å²	121	114.1 Å²	114.1	73%	0.733	62%	0.621	S	S	*	*			trans	-71.3	105.4	159.6	-176.3	0	0	0	0	105.3	L878 D882	L878-V880 PolarHBondContact O-N 3.21Å; V880-D882 PolarHBondContact O-N 3.23Å
881	K	60.3	Low	69.7	Low	182 Å²	182	114.8 Å²	114.8	79%	0.791	62%	0.62	S	S	*	*			trans	-56.4	126.2	163.8	-72.3	-179	178.8	176.5	0	106.2	S879 L883	S879-K881 PolarHBondContact O-N 3.39Å; S879-K881 VanDerWaalsContact O-N 3.15Å; K881-L883 PolarHBondContact O-N 3.42Å; K881-L883 VanDerWaalsContact O-N 3.08Å
882	D	58.3	Low	68.5	Low	164 Å²	164	120.7 Å²	120.7	88%	0.877	65%	0.645	S	S	*	*			trans	-42.7	121.9	175.6	-75.1	-36.6	0	0	0	108.8	V880	V880-D882 PolarHBondContact O-N 3.23Å
883	L	44.2	Very low	67.3	Low	235 Å²	235	123.4 Å²	123.4	100%	1.23	65%	0.654	S	S	*	*			trans	-68.6	0	177.1	-97.4	162.3	0	0	0	111	K881	K881-L883 PolarHBondContact O-N 3.42Å; K881-L883 VanDerWaalsContact O-N 3.08Å

Retrieved 883 of 883 residues in 392.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).