A0A077Z7T8_TRITR Loading...

DNA topoisomerase 2

Control of topological states of DNA by transient breakage and subsequent rejoining of DNA strands. Topoisomerase II makes double-strand breaks.

AlphaFold DB , UniProt , Accession A0A077Z7T8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,375 aa.

						>A0A077Z7T8_TRITR|A0A077Z7T8
MNNAGMANSDVFIPLENFSGRQRREATIEETYQKKTQLEHVLIRPDTYIGSVELHREIMWVVDSNLDKMVQREITYVPGLYKIFDEILVNAADNKQRDPTMTCIKVTINQNTNEISVWNDGRGIPVVEHKVEKMYVPTLIFGTLLTSSNYDDSEKKVTGGRNGYGAKLCNIFSRKFTVETSCREYGKFFKQTWEDNMQKASNPTVVSCSQADYTCVKFIPDLAKFGMSALDNDIVALMSRRAYDVAGSTKGVKVYLNGKRLHVSGFRDYIDLYTKNRLDENQQPLKIVYEQCNPRWELAVTVSDKGFQQVSFVNSIATTKGGRHIDHALEGVVAKVVEVIKKDVKKSGFNVKPFQVKNHLWIFVNCLIENPTFDSQTKENMTLPVKSFGSKCTPSEKFLGQVVKCGILECVTQWLKFKNQLNSQCSNSKHSKLKGIPKLEDANEAGTKNSHSCTLILTEGDSAKTLAVSGFSVVGRDYYGVFPLKGKMLNVREATHAQICKNEEITNILKIIGLQYKRKYETVEELRSLRYGKVMIMADQDQDGSHIKGLVINFIHHNWPSLIRQNFLEEFITPIVKVSKGKEIKAFFSLPEYEEWKAQTHNWYSWKIKYYKGLGTSTAKEAKEYFSDMYRHRIRFHYAGNEDDCALDLAFSKKKVEDRKEWLSGWMIKRKRQRLDNIPEAYLYGKNTKAVSFKDFVDKELILFSNMDNERSIPSLVDGLKPGQRKVMFTCFKRNDKREVKVAQLAGSVAETSAYHHGEASLMGTIINLAHDFVGSNNVNLLLPVGQFGTRLQGGKDAASARYIFTMLNPVTRALFHESDIPCLNFLFDDNQRIEPEWYCPILPTVLINGAEGIGTGWSTKVPNYNPRELVDNIRRMLNNEEPNPMKPWYKNFRGVIEQVSPERFVCFGNVARISPNTIEITELPIGTWTQTYKESVLEPMLYGSELKQPLITDFKEYHTDTTVRFVVKVKPENMESVLQNVHAVFKLQSSISISSMVLFDAEGCLRRFENAEDILKEFYTVRLSMYAKRKAHLIGLLTAQAKRLENQARFVMEKIEGIIKIENMKKKVIVDQLIDRHYDPDPLHKWKQQQAKQASCETDEADTAEENSENIAADSESTRLSDFDYLLSMAVLKFSEEEKDKLLAERSQKFKELHDLKQKSPKDLWNEDLELFLSELDKQEKREREDAKMSFNENKAHWKQGSSVQQKQILPSENGVPLMPVVTQEFRQKAEKALQAKMRQRAIVSVLIFAHSSKSITDWISTGKPHDASKSRPIGSGKAASLPQSYSNKLLMFFAGIRRFLKPIDAVTDTELTNSGTSDSSADVVSGLPSNIIESMAVGVRRAAKVSNFQLSLVVEYLKYLFAVSWIRNVGSVQ
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.9	Very low	31	Very low	240 Å²	240	138.7 Å²	138.7	100%	1.182	83%	0.828	S	S	*	*				0	116.5	0	-84.7	175.3	167	0	0	108.4
2	N	32.6	Very low	30.9	Very low	142 Å²	142	144.5 Å²	144.5	76%	0.759	84%	0.835	S	S	*	*			trans	52.7	114.3	154.7	-65.7	-0.8	0	0	0	123.3
3	N	32.4	Very low	31.2	Very low	151 Å²	151	145.8 Å²	145.8	81%	0.807	84%	0.835	S	S	*	*			trans	74.5	145.3	130.3	-66.5	-7.7	0	0	0	119.5
4	A	31.2	Very low	31	Very low	97 Å²	97	142.8 Å²	142.8	80%	0.802	82%	0.823	S	S	*	*			cis	167.6	140.3	-22.3	0	0	0	0	0	105
5	G	31.7	Very low	30.9	Very low	72 Å²	72	144.3 Å²	144.3	74%	0.742	83%	0.826	S	S	*	*			trans	136.7	95.1	154.9	0	0	0	0	0	118.2
6	M	29.8	Very low	30.9	Very low	198 Å²	198	145.9 Å²	145.9	98%	0.975	82%	0.824	S	S	*	*				35.8	141.9	127.8	-68.9	-179.9	154.6	0	0	120.3
7	A	31.3	Very low	30.9	Very low	83 Å²	83	146.1 Å²	146.1	69%	0.686	82%	0.822	S	S	*	*			cis	-171.4	164	1.9	0	0	0	0	0	110.4
8	N	31.6	Very low	31.2	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	82%	0.824	S	S	*	*			trans	85	101.8	157.9	-69.8	-2.5	0	0	0	121.8
9	S	28.2	Very low	31.4	Very low	99 Å²	99	146.6 Å²	146.6	69%	0.692	82%	0.82	S	S	*	*			trans	-1.9	128	137.2	56.1	0	0	0	0	119.2
10	D	30.4	Very low	31.5	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	82%	0.822	S	S	*	*				-154.8	149.1	121	-102	-27.6	0	0	0	112.7	F12	D10-F12 PolarHBondContact O-N 3.43Å
11	V	31.6	Very low	31.8	Very low	126 Å²	126	147.6 Å²	147.6	76%	0.764	82%	0.824	S	S	*	*			trans	-71	109.2	-169	174.3	0	0	0	0	111.4
12	F	29.8	Very low	32.4	Very low	208 Å²	208	145.5 Å²	145.5	91%	0.912	81%	0.811	S	S	*	*			trans	-154.4	122.3	150.1	-91.1	-76.4	0	0	0	109.7	D10	D10-F12 PolarHBondContact O-N 3.43Å
13	I	34.8	Very low	32.9	Very low	161 Å²	161	150.4 Å²	150.4	83%	0.826	82%	0.819	S	S	*	*			trans	-67.9	137.8	171.4	-64.7	173.4	0	0	0	108
14	P	29.3	Very low	33.9	Very low	104 Å²	104	154.1 Å²	154.1	68%	0.675	82%	0.822	S	S	*	*			trans	-82.6	130.5	-161.6	23	-14.1	0	0	0	112.4	E16	P14-E16 VanDerWaalsContact C-N 3.33Å; P14-E16 PolarHBondContact O-N 2.92Å
15	L	29.2	Very low	35.1	Very low	166 Å²	166	158.2 Å²	158.2	87%	0.869	83%	0.825	S	S	*	*			trans	-82.1	77.1	165.8	-110	142.7	0	0	0	108.8
16	E	30.5	Very low	37	Very low	170 Å²	170	157.6 Å²	157.6	79%	0.794	81%	0.813	S	S	*	*			trans	-89.6	100	163	-79	-172.8	170.6	0	0	109.3	P14	P14-E16 VanDerWaalsContact C-N 3.33Å; P14-E16 PolarHBondContact O-N 2.92Å
17	N	30.8	Very low	39.4	Very low	148 Å²	148	151.5 Å²	151.5	79%	0.791	79%	0.787	S	S	*	*			trans	162.2	76.7	139.8	-83.7	-25	0	0	0	110.2
18	F	35.9	Very low	41.7	Very low	196 Å²	196	153.4 Å²	153.4	86%	0.86	78%	0.784	S	S	*	*			trans	-126.6	95.7	152.8	-98.4	-85	0	0	0	108.8	G20	F18-G20 PolarHBondContact O-N 3.09Å
19	S	35.8	Very low	44.2	Very low	106 Å²	106	152.9 Å²	152.9	74%	0.741	78%	0.777	S	S	*	*			trans	-46.5	131.3	164.7	53.1	0	0	0	0	110.6	R21	S19-R21 PolarHBondContact O-N 3.31Å; S19-R21 VanDerWaalsContact O-N 3.09Å
20	G	32.6	Very low	46.7	Very low	83 Å²	83	153 Å²	153	86%	0.856	77%	0.766	S	S	*	*			trans	-52.7	112	179.5	0	0	0	0	0	113	F18	F18-G20 PolarHBondContact O-N 3.09Å
21	R	39	Very low	49.2	Very low	231 Å²	231	149 Å²	149	87%	0.872	75%	0.748	S	S	*	*			trans	-105.8	118	154.4	-81.2	-176.8	174.8	175.4	-0.9	107.2	S19 R23	S19-R21 PolarHBondContact O-N 3.31Å; S19-R21 VanDerWaalsContact O-N 3.09Å; R21-R23 PolarHBondContact O-N 3.3Å
22	Q	41.4	Very low	51.7	Low	196 Å²	196	151.7 Å²	151.7	92%	0.916	75%	0.746	S	S	*	*			trans	-49	122.4	167.6	-74.3	175.6	-22	0	0	108.7	R24	Q22-R24 PolarHBondContact O-N 3.3Å
23	R	43.5	Very low	54.3	Low	245 Å²	245	147.3 Å²	147.3	93%	0.925	73%	0.728	S	S	*	*			trans	-63.5	105.9	172.4	-95.3	-179.1	172.8	171	-1.9	107.8	R21 E25	R21-R23 PolarHBondContact O-N 3.3Å; R23-E25 PolarHBondContact O-N 3.37Å
24	R	54.1	Low	56.8	Low	229 Å²	229	149.6 Å²	149.6	86%	0.864	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-64.5	123.5	166	-160.4	176.8	-179.2	179.2	-1.1	107.2	Q22 A26	Q22-R24 PolarHBondContact O-N 3.3Å; R24-A26 PolarHBondContact O-N 3.07Å
25	E	56.5	Low	59.5	Low	183 Å²	183	148.8 Å²	148.8	86%	0.855	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-60.6	123	171.3	-76.2	-177.2	158.1	0	0	108.2	R23 T27	R23-E25 PolarHBondContact O-N 3.37Å; E25-T27 PolarHBondContact O-N 2.72Å
26	A	70.7	Confident	62.4	Low	60 Å²	60	144.8 Å²	144.8	50%	0.496	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-64.6	135.1	178.4	0	0	0	0	0	109	R24 E30	R24-A26 PolarHBondContact O-N 3.07Å; A26-E30 WeakPolarHBondContact CA-OE2 3.3Å; A26-E30 HydrophobicContact CB-CB 4.15Å
27	T	80.7	Confident	65.1	Low	69 Å²	69	140.3 Å²	140.3	42%	0.423	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-62.5	160.5	172.9	54.3	0	0	0	0	110.9	E25 E29 E30 T31	E25-T27 PolarHBondContact O-N 2.72Å; T27-E29 PolarHBondContact O-N 3.21Å; T27-E30 PolarHBondContact N-OE2 3.14Å; T27-E30 PolarHBondContact O-N 3.38Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 WeakPolarHBondContact OG1-CB 3.46Å; T27-E30 WeakPolarHBondContact OG1-CG 3.49Å; T27-E30 PolarHBondContact OG1-N 3.05Å; T27-E30 PolarHBondContact OG1-OE2 2.81Å; T27-T31 PolarHBondContact O-N 3.25Å; T27-T31 PolarHBondContact O-OG1 3.15Å
28	I	80.3	Confident	67.8	Low	124 Å²	124	135.1 Å²	135.1	64%	0.636	65%	0.651	S	S	*	*	H	α-helix	trans	-57	-39.9	178.3	-71.8	173	0	0	0	109.9	T31 Y32	I28-T31 PolarHBondContact O-N 3.34Å; I28-Y32 HydrophobicContact CG2-CD2 4Å; I28-Y32 WeakPolarHBondContact O-CD2 3.26Å; I28-Y32 PolarHBondContact O-N 2.89Å
29	E	83.8	Confident	70.3	Confident	142 Å²	142	129.6 Å²	129.6	66%	0.664	63%	0.628	S	S	*	*	H	α-helix	trans	-67.5	-36.1	178.2	-63.1	75.4	-167.4	0	0	112.4	T27 T31	T27-E29 PolarHBondContact O-N 3.21Å; E29-T31 VanDerWaalsContact C-N 3.33Å
30	E	80.3	Confident	72.8	Confident	101 Å²	101	128 Å²	128	47%	0.472	61%	0.609	S	S	.	*	H	α-helix	trans	-70.6	-30.8	172.8	-75.6	167.7	153	0	0	112	A26 T27 Q33	A26-E30 WeakPolarHBondContact CA-OE2 3.3Å; A26-E30 HydrophobicContact CB-CB 4.15Å; T27-E30 PolarHBondContact N-OE2 3.14Å; T27-E30 PolarHBondContact O-N 3.38Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 WeakPolarHBondContact OG1-CB 3.46Å; T27-E30 WeakPolarHBondContact OG1-CG 3.49Å; T27-E30 PolarHBondContact OG1-N 3.05Å; T27-E30 PolarHBondContact OG1-OE2 2.81Å; E30-Q33 PolarHBondContact O-NE2 2.87Å
31	T	82.1	Confident	75.6	Confident	82 Å²	82	124.1 Å²	124.1	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-77.3	-46	-179.2	-55.6	0	0	0	0	112.1	T27 I28 E29	T27-T31 PolarHBondContact O-N 3.25Å; T27-T31 PolarHBondContact O-OG1 3.15Å; I28-T31 PolarHBondContact O-N 3.34Å; E29-T31 VanDerWaalsContact C-N 3.33Å
32	Y	84.8	Confident	78	Confident	182 Å²	182	114.8 Å²	114.8	71%	0.714	54%	0.536	S	S	*	.	S	Bend	trans	-109.3	91.3	-175.6	-60.1	-75.5	0	0	0	111.4	I28	I28-Y32 HydrophobicContact CG2-CD2 4Å; I28-Y32 WeakPolarHBondContact O-CD2 3.26Å; I28-Y32 PolarHBondContact O-N 2.89Å
33	Q	83.8	Confident	80.2	Confident	115 Å²	115	109.7 Å²	109.7	54%	0.537	51%	0.514	S	S	.	.			trans	-101.1	131	-177.1	-57	-177.9	16.4	0	0	111.6	E30	E30-Q33 PolarHBondContact O-NE2 2.87Å
34	K	88.1	Confident	82.3	Confident	209 Å²	209	105.8 Å²	105.8	91%	0.909	50%	0.499	S	S	*	.			trans	-89.8	124.6	166	-176.3	179.5	178.6	-178.5	0	109
35	K	86.1	Confident	83.9	Confident	88 Å²	88	95.6 Å²	95.6	38%	0.383	46%	0.463	S	S	.	.			trans	-108.6	147.8	176.1	-59.9	-60.2	-180	-173.2	0	110.7	E39 I43	K35-E39 WeakPolarHBondContact CA-OE2 3.38Å; K35-E39 HydrophobicContact CB-CB 4.14Å; K35-E39 HydrophobicContact CD-CB 4.45Å; K35-I43 HydrophobicContact CD-CD1 3.91Å; K35-I43 HydrophobicContact CG-CD1 4.04Å
36	T	89.3	Confident	85.1	Confident	81 Å²	81	92 Å²	92	50%	0.497	45%	0.449	S	S	.	.			trans	-69.3	162.5	166.4	66.5	0	0	0	0	110.1	L38 E39 H40	T36-L38 VanDerWaalsContact C-N 3.29Å; T36-L38 PolarHBondContact O-N 2.71Å; T36-E39 PolarHBondContact N-OE2 2.88Å; T36-E39 PolarHBondContact O-N 2.87Å; T36-E39 WeakPolarHBondContact OG1-CB 3.5Å; T36-E39 WeakPolarHBondContact OG1-CG 3.35Å; T36-E39 PolarHBondContact OG1-N 3.49Å; T36-E39 PolarHBondContact OG1-OE2 3.49Å; T36-E39 VanDerWaalsContact OG1-OE2 3.05Å; T36-H40 WeakPolarHBondContact O-CB 3.29Å; T36-H40 PolarHBondContact O-N 3.05Å
37	Q	86.6	Confident	85.6	Confident	77 Å²	77	93.7 Å²	93.7	36%	0.36	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-38.4	179.4	-166.7	177.6	3.1	0	0	111.9	H40 V41 L144 Y164	Q37-H40 PolarHBondContact O-N 3.26Å; Q37-V41 VanDerWaalsContact O-CG2 3.29Å; Q37-V41 WeakPolarHBondContact O-CG2 3.42Å; Q37-V41 PolarHBondContact O-N 3.21Å; Q37-L144 HydrophobicContact CB-CD1 4.34Å; Q37-L144 HydrophobicContact CG-CD1 3.9Å; Q37-Y164 PolarHBondContact NE2-OH 2.91Å
38	L	88.9	Confident	85.8	Confident	38 Å²	38	92.1 Å²	92.1	20%	0.199	44%	0.44	C	S	.	.	H	α-helix	trans	-65.9	-44.2	177.4	-171.2	150.1	0	0	0	111.5	T36 H40 V41 L42 M197 Q198	T36-L38 VanDerWaalsContact C-N 3.29Å; T36-L38 PolarHBondContact O-N 2.71Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.47Å; L38-V41 PolarHBondContact O-N 3.41Å; L38-L42 HydrophobicContact CD2-CD1 3.88Å; L38-L42 PolarHBondContact O-N 3.18Å; L38-M197 HydrophobicContact CD1-CE 3.93Å; L38-Q198 HydrophobicContact CD2-CG 4.44Å
39	E	87	Confident	86.1	Confident	80 Å²	80	86.2 Å²	86.2	37%	0.374	41%	0.41	S	S	.	.	H	α-helix	trans	-61.5	-42.3	174.2	-72.7	169.9	145.4	0	0	111.6	K35 T36 V41 L42 I43	K35-E39 WeakPolarHBondContact CA-OE2 3.38Å; K35-E39 HydrophobicContact CB-CB 4.14Å; K35-E39 HydrophobicContact CD-CB 4.45Å; T36-E39 PolarHBondContact N-OE2 2.88Å; T36-E39 PolarHBondContact O-N 2.87Å; T36-E39 WeakPolarHBondContact OG1-CB 3.5Å; T36-E39 WeakPolarHBondContact OG1-CG 3.35Å; T36-E39 PolarHBondContact OG1-N 3.49Å; T36-E39 PolarHBondContact OG1-OE2 3.49Å; T36-E39 VanDerWaalsContact OG1-OE2 3.05Å; E39-V41 VanDerWaalsContact C-N 3.34Å; E39-V41 PolarHBondContact O-N 3.27Å; E39-L42 PolarHBondContact O-N 2.98Å; E39-I43 HydrophobicContact CB-CD1 4.36Å; E39-I43 WeakPolarHBondContact O-CB 3.42Å; E39-I43 WeakPolarHBondContact O-CD1 3.46Å; E39-I43 WeakPolarHBondContact O-CG1 3.44Å; E39-I43 PolarHBondContact O-N 2.94Å
40	H	90.1	Very high	86.2	Confident	74 Å²	74	79.8 Å²	79.8	34%	0.343	38%	0.382	S	S	.	.	H	α-helix	trans	-62.2	-41.7	178.7	-173.7	-101.8	0	0	0	112.1	T36 Q37 L38 L42 I43 R44 Y48	T36-H40 WeakPolarHBondContact O-CB 3.29Å; T36-H40 PolarHBondContact O-N 3.05Å; Q37-H40 PolarHBondContact O-N 3.26Å; L38-H40 VanDerWaalsContact C-N 3.33Å; L38-H40 PolarHBondContact O-N 3.47Å; H40-L42 VanDerWaalsContact C-N 3.3Å; H40-L42 PolarHBondContact O-N 2.95Å; H40-I43 PolarHBondContact O-N 3.27Å; H40-R44 PolarHBondContact O-N 3.23Å; H40-Y48 AromaticContact ND1-CE2 3.61Å; H40-Y48 AromaticContact ND1-CZ 3.74Å; H40-Y48 PolarHBondContact ND1-OH 2.93Å
41	V	89.7	Confident	86.6	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.5	-42.4	175.3	170.8	0	0	0	0	111.3	Q37 L38 E39 R44 P45 Y48 L168 I171 F172	Q37-V41 VanDerWaalsContact O-CG2 3.29Å; Q37-V41 WeakPolarHBondContact O-CG2 3.42Å; Q37-V41 PolarHBondContact O-N 3.21Å; L38-V41 PolarHBondContact O-N 3.41Å; E39-V41 VanDerWaalsContact C-N 3.34Å; E39-V41 PolarHBondContact O-N 3.27Å; V41-R44 CarbonylContact O-C 3.59Å; V41-P45 WeakPolarHBondContact O-CA 3.42Å; V41-Y48 HydrophobicContact CB-CD2 4.25Å; V41-Y48 HydrophobicContact CB-CE2 4.28Å; V41-Y48 HydrophobicContact CG1-CD2 4.33Å; V41-Y48 HydrophobicContact CG1-CG 4.36Å; V41-Y48 HydrophobicContact CG2-CD1 3.93Å; V41-Y48 HydrophobicContact CG2-CD2 3.93Å; V41-Y48 HydrophobicContact CG2-CE1 3.73Å; V41-Y48 HydrophobicContact CG2-CE2 3.74Å; V41-Y48 HydrophobicContact CG2-CG 4.02Å; V41-L168 HydrophobicContact CG1-CD2 3.74Å; V41-L168 HydrophobicContact CG2-CD2 4.45Å; V41-I171 HydrophobicContact CG1-CD1 4.18Å; V41-I171 HydrophobicContact CG1-CG2 3.91Å; V41-F172 HydrophobicContact CG1-CE2 3.66Å; V41-F172 HydrophobicContact CG1-CZ 4.24Å
42	L	89.7	Confident	87.1	Confident	35 Å²	35	73.6 Å²	73.6	18%	0.183	35%	0.351	C	S	.	.	H	α-helix	trans	-73.8	-34	179.4	-71.7	175.5	0	0	0	113.3	L38 E39 H40 I171 F172 N196 K224	L38-L42 HydrophobicContact CD2-CD1 3.88Å; L38-L42 PolarHBondContact O-N 3.18Å; E39-L42 PolarHBondContact O-N 2.98Å; H40-L42 VanDerWaalsContact C-N 3.3Å; H40-L42 PolarHBondContact O-N 2.95Å; L42-I171 HydrophobicContact CD2-CG2 3.55Å; L42-I171 HydrophobicContact CG-CG2 3.86Å; L42-F172 HydrophobicContact CD2-CE1 4.21Å; L42-F172 HydrophobicContact CD2-CZ 4.22Å; L42-N196 HydrophobicContact CD1-CB 4.3Å; L42-K224 HydrophobicContact CD2-CD 3.9Å
43	I	87.3	Confident	87.3	Confident	89 Å²	89	71.4 Å²	71.4	46%	0.456	35%	0.348	S	S	.	.	H	α-helix	trans	-78.4	-37	-179.8	-65.9	164.8	0	0	0	111.2	K35 E39 H40 P45	K35-I43 HydrophobicContact CD-CD1 3.91Å; K35-I43 HydrophobicContact CG-CD1 4.04Å; E39-I43 HydrophobicContact CB-CD1 4.36Å; E39-I43 WeakPolarHBondContact O-CB 3.42Å; E39-I43 WeakPolarHBondContact O-CD1 3.46Å; E39-I43 WeakPolarHBondContact O-CG1 3.44Å; E39-I43 PolarHBondContact O-N 2.94Å; H40-I43 PolarHBondContact O-N 3.27Å; I43-P45 VanDerWaalsContact C-CD 3.42Å; I43-P45 WeakPolarHBondContact O-CD 3.34Å
44	R	87.6	Confident	87.6	Confident	163 Å²	163	70.3 Å²	70.3	62%	0.615	35%	0.345	S	S	*	.			trans	-126.1	68.2	-177.5	-61	-58.6	178.8	110.1	-0.9	110.7	H40 V41 D46 T47 Y48	H40-R44 PolarHBondContact O-N 3.23Å; V41-R44 CarbonylContact O-C 3.59Å; R44-D46 PolarHBondContact O-N 3.4Å; R44-T47 PolarHBondContact O-OG1 3.27Å; R44-Y48 WeakPolarHBondContact O-CD2 3.44Å
45	P	87.6	Confident	87.7	Confident	15 Å²	15	63.5 Å²	63.5	10%	0.097	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.1	-177.8	21.7	-33	0	0	0	114.1	V41 I43 T47 Y48 I49 V52 F172	V41-P45 WeakPolarHBondContact O-CA 3.42Å; I43-P45 VanDerWaalsContact C-CD 3.42Å; I43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-T47 VanDerWaalsContact C-N 3.32Å; P45-T47 PolarHBondContact O-N 3.12Å; P45-Y48 PolarHBondContact O-N 3.01Å; P45-I49 HydrophobicContact CB-CD1 4.17Å; P45-I49 HydrophobicContact CB-CG1 3.97Å; P45-I49 WeakPolarHBondContact O-CG1 3.44Å; P45-I49 PolarHBondContact O-N 3.44Å; P45-V52 HydrophobicContact CB-CG1 3.59Å; P45-V52 HydrophobicContact CG-CB 4.28Å; P45-V52 HydrophobicContact CG-CG1 3.48Å; P45-V52 VanDerWaalsContact CG-CG1 3.48Å; P45-V52 HydrophobicContact CG-CG2 3.78Å; P45-F172 HydrophobicContact CB-CE1 4.05Å; P45-F172 HydrophobicContact CB-CZ 3.64Å
46	D	82	Confident	88	Confident	108 Å²	108	68 Å²	68	58%	0.578	33%	0.331	S	S	*	.	H	α-helix	trans	-56.6	-41.6	-168.2	-163.5	23.7	0	0	0	113.5	R44 Y48 G50 S51	R44-D46 PolarHBondContact O-N 3.4Å; D46-Y48 PolarHBondContact O-N 3.02Å; D46-G50 WeakPolarHBondContact CA-O 3.32Å; D46-G50 WeakPolarHBondContact O-CA 3.24Å; D46-G50 PolarHBondContact O-N 2.91Å; D46-G50 VanDerWaalsContact OD1-C 3.27Å; D46-S51 PolarHBondContact OD1-N 3.46Å
47	T	81.1	Confident	87.8	Confident	96 Å²	96	68.2 Å²	68.2	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-70.4	-16.1	177.6	42	0	0	0	0	114.5	R44 P45	R44-T47 PolarHBondContact O-OG1 3.27Å; P45-T47 VanDerWaalsContact C-N 3.32Å; P45-T47 PolarHBondContact O-N 3.12Å
48	Y	84.7	Confident	88	Confident	35 Å²	35	69.9 Å²	69.9	14%	0.137	34%	0.337	C	S	.	.	H	α-helix	trans	-107.9	-47.5	-174.5	-62.6	-82.3	0	0	0	112.9	H40 V41 R44 P45 D46 Y164 L168 Q376	H40-Y48 AromaticContact ND1-CE2 3.61Å; H40-Y48 AromaticContact ND1-CZ 3.74Å; H40-Y48 PolarHBondContact ND1-OH 2.93Å; V41-Y48 HydrophobicContact CB-CD2 4.25Å; V41-Y48 HydrophobicContact CB-CE2 4.28Å; V41-Y48 HydrophobicContact CG1-CD2 4.33Å; V41-Y48 HydrophobicContact CG1-CG 4.36Å; V41-Y48 HydrophobicContact CG2-CD1 3.93Å; V41-Y48 HydrophobicContact CG2-CD2 3.93Å; V41-Y48 HydrophobicContact CG2-CE1 3.73Å; V41-Y48 HydrophobicContact CG2-CE2 3.74Å; V41-Y48 HydrophobicContact CG2-CG 4.02Å; R44-Y48 WeakPolarHBondContact O-CD2 3.44Å; P45-Y48 PolarHBondContact O-N 3.01Å; D46-Y48 PolarHBondContact O-N 3.02Å; Y48-Y164 HydrophobicContact CD1-CD1 4.5Å; Y48-Y164 HydrophobicContact CD1-CE1 4.42Å; Y48-Y164 HydrophobicContact CE1-CE1 4.19Å; Y48-L168 HydrophobicContact CD1-CD2 4.25Å; Y48-L168 HydrophobicContact CG-CD2 4.29Å; Y48-L168 WeakPolarHBondContact O-CD1 3.38Å; Y48-Q376 WeakPolarHBondContact O-CG 3.1Å
49	I	87.5	Confident	87.9	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-119.8	-6.7	-176.9	60.6	166.5	0	0	0	112.7	P45 V52 G79 K82 I83 L168 F172 F225	P45-I49 HydrophobicContact CB-CD1 4.17Å; P45-I49 HydrophobicContact CB-CG1 3.97Å; P45-I49 WeakPolarHBondContact O-CG1 3.44Å; P45-I49 PolarHBondContact O-N 3.44Å; I49-V52 HydrophobicContact CD1-CG1 4.29Å; I49-G79 WeakPolarHBondContact O-CA 3.23Å; I49-K82 HydrophobicContact CB-CB 4.46Å; I49-K82 WeakPolarHBondContact O-CB 3.34Å; I49-K82 WeakPolarHBondContact O-CG 3.49Å; I49-I83 HydrophobicContact CB-CG2 4.38Å; I49-I83 HydrophobicContact CD1-CG2 4.37Å; I49-I83 HydrophobicContact CG2-CG2 3.77Å; I49-L168 HydrophobicContact CG2-CB 3.82Å; I49-L168 HydrophobicContact CG2-CD1 3.87Å; I49-L168 HydrophobicContact CG2-CG 4.27Å; I49-F172 HydrophobicContact CD1-CD1 3.8Å; I49-F172 HydrophobicContact CD1-CD2 3.65Å; I49-F172 HydrophobicContact CD1-CE1 3.75Å; I49-F172 HydrophobicContact CD1-CE2 3.58Å; I49-F172 HydrophobicContact CD1-CG 3.77Å; I49-F172 HydrophobicContact CD1-CZ 3.67Å; I49-F172 HydrophobicContact CG1-CD2 4.49Å; I49-F172 HydrophobicContact CG1-CE2 4.12Å; I49-F172 HydrophobicContact CG1-CZ 4.3Å; I49-F172 HydrophobicContact CG2-CD2 4.27Å; I49-F172 HydrophobicContact CG2-CE2 4.28Å; I49-F225 HydrophobicContact CD1-CE1 3.78Å; I49-F225 HydrophobicContact CD1-CZ 4.13Å
50	G	86.1	Confident	88.1	Confident	6 Å²	6	67.1 Å²	67.1	6%	0.062	32%	0.321	C	S	.	.			trans	88	-180	-168.2	0	0	0	0	0	112.4	D46 V52	D46-G50 WeakPolarHBondContact CA-O 3.32Å; D46-G50 WeakPolarHBondContact O-CA 3.24Å; D46-G50 PolarHBondContact O-N 2.91Å; D46-G50 VanDerWaalsContact OD1-C 3.27Å; G50-V52 PolarHBondContact O-N 3.34Å
51	S	88.7	Confident	88.2	Confident	21 Å²	21	63.6 Å²	63.6	15%	0.147	31%	0.305	C	S	.	.			trans	-53.4	136.3	-176.8	174.3	0	0	0	0	113	D46 E53 H55 P78 G79	D46-S51 PolarHBondContact OD1-N 3.46Å; S51-E53 WeakPolarHBondContact OG-CB 3.2Å; S51-E53 PolarHBondContact OG-N 3.44Å; S51-H55 WeakPolarHBondContact CB-NE2 3.5Å; S51-H55 PolarHBondContact OG-NE2 3.16Å; S51-H55 VanDerWaalsContact OG-NE2 3.09Å; S51-P78 WeakPolarHBondContact O-CD 3.33Å; S51-G79 PolarHBondContact O-N 2.76Å
52	V	91.5	Very high	88.1	Confident	32 Å²	32	64.1 Å²	64.1	19%	0.194	31%	0.308	C	S	.	.			trans	-91.3	-4.6	169.4	-65.7	0	0	0	0	113	P45 I49 G50 V77 F225	P45-V52 HydrophobicContact CB-CG1 3.59Å; P45-V52 HydrophobicContact CG-CB 4.28Å; P45-V52 HydrophobicContact CG-CG1 3.48Å; P45-V52 VanDerWaalsContact CG-CG1 3.48Å; P45-V52 HydrophobicContact CG-CG2 3.78Å; I49-V52 HydrophobicContact CD1-CG1 4.29Å; G50-V52 PolarHBondContact O-N 3.34Å; V52-V77 VanDerWaalsContact O-CG1 3.31Å; V52-V77 WeakPolarHBondContact O-CG1 3.3Å; V52-F225 HydrophobicContact CB-CD1 4.25Å; V52-F225 HydrophobicContact CG1-CD1 3.94Å; V52-F225 HydrophobicContact CG1-CE1 4.01Å
53	E	90.2	Very high	87.7	Confident	136 Å²	136	64.5 Å²	64.5	64%	0.636	31%	0.311	S	S	*	.	S	Bend	trans	-78.6	157	172.4	-60.3	-63.7	154.6	0	0	111.8	S51 H55 P78	S51-E53 WeakPolarHBondContact OG-CB 3.2Å; S51-E53 PolarHBondContact OG-N 3.44Å; E53-H55 PolarHBondContact O-CD2 3.35Å; E53-H55 VanDerWaalsContact O-CD2 3.3Å; E53-P78 WeakPolarHBondContact O-CD 3.23Å
54	L	90.1	Very high	87	Confident	92 Å²	92	64.9 Å²	64.9	48%	0.482	32%	0.321	S	S	.	.			trans	-71.6	125.6	174.4	-72.8	163.5	0	0	0	111.2	T75 V77	L54-T75 HydrophobicContact CB-CG2 4.06Å; L54-T75 HydrophobicContact CD2-CG2 3.96Å; L54-T75 HydrophobicContact CG-CG2 4.44Å; L54-V77 HydrophobicContact CD2-CG2 3.58Å; L54-V77 HydrophobicContact CG-CG2 4.12Å
55	H	89.8	Confident	86.3	Confident	67 Å²	67	64.4 Å²	64.4	31%	0.31	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.7	175.7	-77.5	-135.6	0	0	0	110	S51 E53 T75 Y76 P78	S51-H55 WeakPolarHBondContact CB-NE2 3.5Å; S51-H55 PolarHBondContact OG-NE2 3.16Å; S51-H55 VanDerWaalsContact OG-NE2 3.09Å; E53-H55 PolarHBondContact O-CD2 3.35Å; E53-H55 VanDerWaalsContact O-CD2 3.3Å; H55-T75 WeakPolarHBondContact O-CA 3.47Å; H55-Y76 HydrophobicContact CB-CE1 4.26Å; H55-Y76 PolarHBondContact N-O 2.81Å; H55-Y76 PolarHBondContact O-N 2.92Å; H55-P78 HydrophobicContact CB-CG 4.19Å
56	R	91.6	Very high	85.6	Confident	182 Å²	182	68.5 Å²	68.5	69%	0.687	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.1	171	-74.5	-173	179.5	172	4.7	109.4	I74 T75	R56-I74 WeakPolarHBondContact CA-O 3.17Å; R56-T75 HydrophobicContact CG-CG2 4.02Å
57	E	86.9	Confident	85.3	Confident	85 Å²	85	65.8 Å²	65.8	40%	0.397	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.5	179.8	-67.1	-165.8	167.2	0	0	111.8	M59 I74 Y76	E57-M59 HydrophobicContact CB-CG 4.38Å; E57-M59 PolarHBondContact O-N 3.49Å; E57-I74 PolarHBondContact N-O 3.4Å; E57-I74 VanDerWaalsContact N-O 3.17Å; E57-I74 PolarHBondContact O-N 3.32Å; E57-Y76 HydrophobicContact CB-CE1 4.46Å
58	I	89	Confident	85.6	Confident	113 Å²	113	65.4 Å²	65.4	58%	0.579	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.6	172.9	-62	177.7	0	0	0	108.4	Q71 E73	I58-Q71 HydrophobicContact CG2-CG 3.44Å; I58-Q71 VanDerWaalsContact CG2-CG 3.44Å; I58-E73 HydrophobicContact CG1-CB 4.45Å
59	M	88.6	Confident	85.9	Confident	25 Å²	25	63.8 Å²	63.8	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.7	-179	-76.3	-157.5	-72.9	0	0	112.9	E57 Q71 R72 I74 Y76 L237	E57-M59 HydrophobicContact CB-CG 4.38Å; E57-M59 PolarHBondContact O-N 3.49Å; M59-Q71 WeakPolarHBondContact O-CA 3.39Å; M59-R72 PolarHBondContact N-O 3.5Å; M59-R72 PolarHBondContact O-N 3.28Å; M59-R72 VanDerWaalsContact O-N 3.1Å; M59-I74 HydrophobicContact CB-CD1 4.45Å; M59-I74 HydrophobicContact CB-CG1 4.48Å; M59-I74 HydrophobicContact CE-CD1 3.37Å; M59-I74 HydrophobicContact CE-CG1 3.68Å; M59-Y76 HydrophobicContact CE-CD1 3.48Å; M59-Y76 VanDerWaalsContact CE-CD1 3.48Å; M59-Y76 HydrophobicContact CE-CD2 4.25Å; M59-Y76 HydrophobicContact CE-CE1 3.11Å; M59-Y76 HydrophobicContact CE-CE2 3.92Å; M59-Y76 HydrophobicContact CE-CG 4.04Å; M59-Y76 HydrophobicContact SD-CE1 4.32Å; M59-L237 HydrophobicContact CE-CD1 3.68Å; M59-L237 HydrophobicContact CE-CD2 3.74Å; M59-L237 HydrophobicContact CE-CG 4.35Å; M59-L237 HydrophobicContact SD-CD1 3.95Å
60	W	90.9	Very high	86	Confident	34 Å²	34	65.2 Å²	65.2	13%	0.129	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.8	165.8	-69.8	104.7	0	0	0	109.5	M69 V70 Q71 R240 Y273 W361	W60-M69 HydrophobicContact CE3-CB 3.88Å; W60-M69 HydrophobicContact CZ3-CB 4.07Å; W60-V70 WeakPolarHBondContact CA-O 3.33Å; W60-Q71 HydrophobicContact CD2-CB 4.21Å; W60-Q71 HydrophobicContact CD2-CG 4.47Å; W60-Q71 HydrophobicContact CE3-CB 4.11Å; W60-Q71 HydrophobicContact CH2-CB 4.35Å; W60-Q71 HydrophobicContact CZ2-CB 4.38Å; W60-Q71 HydrophobicContact CZ3-CB 4.22Å; W60-R240 WeakPolarHBondContact O-CD 3.44Å; W60-R240 PolarHBondContact O-NH1 3.36Å; W60-R240 VanDerWaalsContact O-NH1 3.08Å; W60-Y273 HydrophobicContact CB-CE1 4.11Å; W60-Y273 AromaticContact CD2-CD1 3.91Å; W60-Y273 HydrophobicContact CD2-CD1 3.91Å; W60-Y273 AromaticContact CD2-CE1 3.57Å; W60-Y273 HydrophobicContact CD2-CE1 3.57Å; W60-Y273 AromaticContact CE3-CD1 3.76Å; W60-Y273 HydrophobicContact CE3-CD1 3.76Å; W60-Y273 AromaticContact CE3-CE1 3.7Å; W60-Y273 HydrophobicContact CE3-CE1 3.7Å; W60-Y273 AromaticContact CG-CE1 3.74Å; W60-Y273 HydrophobicContact CG-CE1 3.74Å; W60-Y273 AromaticContact CH2-CD1 3.96Å; W60-Y273 HydrophobicContact CH2-CD1 3.96Å; W60-Y273 HydrophobicContact CZ2-CD1 4.18Å; W60-Y273 AromaticContact CZ3-CD1 3.74Å; W60-Y273 HydrophobicContact CZ3-CD1 3.74Å; W60-Y273 HydrophobicContact CZ3-CE1 4.18Å; W60-W361 AromaticContact CH2-CH2 3.53Å; W60-W361 HydrophobicContact CH2-CH2 3.53Å; W60-W361 AromaticContact CH2-CZ2 3.77Å; W60-W361 HydrophobicContact CH2-CZ2 3.77Å; W60-W361 AromaticContact CZ2-CH2 3.68Å; W60-W361 HydrophobicContact CZ2-CH2 3.68Å; W60-W361 AromaticContact CZ2-CZ2 3.49Å; W60-W361 HydrophobicContact CZ2-CZ2 3.49Å; W60-W361 VanDerWaalsContact CZ2-CZ2 3.49Å
61	V	91.7	Very high	86.1	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.6	172.5	-64	0	0	0	0	110.2	V70 R72 I74 A236	V61-V70 HydrophobicContact CG2-CG2 3.95Å; V61-V70 PolarHBondContact N-O 3.39Å; V61-V70 PolarHBondContact O-N 2.91Å; V61-R72 HydrophobicContact CG2-CG 3.8Å; V61-I74 HydrophobicContact CG1-CD1 4.17Å; V61-I74 HydrophobicContact CG1-CG2 4.14Å; V61-A236 HydrophobicContact CB-CB 4.2Å; V61-A236 HydrophobicContact CG1-CB 4.3Å
62	V	87	Confident	86.2	Confident	10 Å²	10	71.8 Å²	71.8	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.1	172.1	144.6	0	0	0	0	109.7	M69 Y243	V62-M69 HydrophobicContact CG2-CE 3.88Å; V62-M69 HydrophobicContact CG2-SD 3.84Å; V62-Y243 HydrophobicContact CB-CE2 4.39Å; V62-Y243 HydrophobicContact CG1-CE2 4.06Å; V62-Y243 HydrophobicContact CG2-CD1 4.4Å; V62-Y243 HydrophobicContact CG2-CD2 3.83Å; V62-Y243 HydrophobicContact CG2-CE1 4.39Å; V62-Y243 HydrophobicContact CG2-CE2 3.87Å; V62-Y243 HydrophobicContact CG2-CG 4.1Å
63	D	82.5	Confident	86.3	Confident	44 Å²	44	76.1 Å²	76.1	24%	0.235	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	108.3	163.8	-174.9	-31.3	0	0	0	108.6	N65 L66 D67 K68 V70	D63-N65 PolarHBondContact O-N 3.36Å; D63-N65 VanDerWaalsContact O-N 3.16Å; D63-N65 WeakPolarHBondContact OD1-CB 3.38Å; D63-N65 PolarHBondContact OD1-N 3.42Å; D63-L66 HydrophobicContact CB-CB 4.25Å; D63-L66 PolarHBondContact O-N 2.88Å; D63-L66 PolarHBondContact OD1-N 2.94Å; D63-L66 WeakPolarHBondContact OD2-CD1 3.49Å; D63-D67 WeakPolarHBondContact O-CA 3.44Å; D63-D67 PolarHBondContact O-N 3.17Å; D63-K68 PolarHBondContact N-O 2.93Å; D63-V70 HydrophobicContact CB-CG1 4.1Å; D63-V70 HydrophobicContact CB-CG2 3.97Å
64	S	72.4	Confident	86.4	Confident	97 Å²	97	69.7 Å²	69.7	68%	0.678	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.4	-176.3	-39.9	0	0	0	0	113.5
65	N	73	Confident	86.5	Confident	152 Å²	152	67.1 Å²	67.1	81%	0.813	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-32.3	-179.2	-63.7	-42	0	0	0	112.2	D63	D63-N65 PolarHBondContact O-N 3.36Å; D63-N65 VanDerWaalsContact O-N 3.16Å; D63-N65 WeakPolarHBondContact OD1-CB 3.38Å; D63-N65 PolarHBondContact OD1-N 3.42Å
66	L	72.5	Confident	86.7	Confident	101 Å²	101	64.4 Å²	64.4	53%	0.529	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.7	-173.4	-62	178.1	0	0	0	113.2	D63 K68	D63-L66 HydrophobicContact CB-CB 4.25Å; D63-L66 PolarHBondContact O-N 2.88Å; D63-L66 PolarHBondContact OD1-N 2.94Å; D63-L66 WeakPolarHBondContact OD2-CD1 3.49Å; L66-K68 HydrophobicContact CB-CD 3.83Å; L66-K68 HydrophobicContact CB-CG 3.78Å; L66-K68 HydrophobicContact CD1-CD 4.3Å; L66-K68 PolarHBondContact O-N 2.72Å
67	D	76.4	Confident	86.8	Confident	51 Å²	51	55.7 Å²	55.7	27%	0.273	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	44	-179.1	-150.3	9.2	0	0	0	111.7	D63 Y243 H262 L272	D63-D67 WeakPolarHBondContact O-CA 3.44Å; D63-D67 PolarHBondContact O-N 3.17Å; D67-Y243 PolarHBondContact OD1-OH 3.23Å; D67-H262 IonicContact OD1-CE1 3.48Å; D67-H262 PolarHBondContact OD1-CE1 2.85Å; D67-H262 VanDerWaalsContact OD1-CE1 3.27Å; D67-H262 IonicContact OD1-ND1 2.79Å; D67-H262 IonicContact OD2-CE1 3.37Å; D67-H262 PolarHBondContact OD2-CE1 2.95Å; D67-H262 IonicContact OD2-ND1 2.73Å; D67-H262 PolarHBondContact OD2-ND1 3.31Å; D67-L272 VanDerWaalsContact O-CD2 3.29Å; D67-L272 WeakPolarHBondContact O-CD2 3.42Å
68	K	85.8	Confident	87	Confident	89 Å²	89	52.5 Å²	52.5	39%	0.387	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.9	-176	75	-176.8	-175.8	-178.6	0	111.5	D63 L66 V70	D63-K68 PolarHBondContact N-O 2.93Å; L66-K68 HydrophobicContact CB-CD 3.83Å; L66-K68 HydrophobicContact CB-CG 3.78Å; L66-K68 HydrophobicContact CD1-CD 4.3Å; L66-K68 PolarHBondContact O-N 2.72Å; K68-V70 HydrophobicContact CD-CG1 4.36Å; K68-V70 HydrophobicContact CG-CG1 3.99Å
69	M	91	Very high	87.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.1	173.8	-66.9	-75.7	-174.6	0	0	110.4	W60 V62 R240 Y269 L272 Y273 R277	W60-M69 HydrophobicContact CE3-CB 3.88Å; W60-M69 HydrophobicContact CZ3-CB 4.07Å; V62-M69 HydrophobicContact CG2-CE 3.88Å; V62-M69 HydrophobicContact CG2-SD 3.84Å; M69-R240 HydrophobicContact CE-CG 3.72Å; M69-R240 HydrophobicContact SD-CG 3.78Å; M69-Y269 HydrophobicContact CE-CE2 3.76Å; M69-L272 HydrophobicContact CB-CB 4.5Å; M69-L272 WeakPolarHBondContact CB-O 3.38Å; M69-L272 HydrophobicContact CE-CD1 4.07Å; M69-L272 HydrophobicContact CG-CB 3.71Å; M69-L272 PolarHBondContact N-O 2.91Å; M69-Y273 HydrophobicContact CB-CD1 3.73Å; M69-Y273 HydrophobicContact CB-CD2 4.28Å; M69-Y273 HydrophobicContact CB-CE1 3.79Å; M69-Y273 HydrophobicContact CB-CE2 4.31Å; M69-Y273 HydrophobicContact CB-CG 3.99Å; M69-Y273 HydrophobicContact CE-CE2 4.1Å; M69-Y273 HydrophobicContact CG-CD1 4.11Å; M69-Y273 HydrophobicContact CG-CD2 3.9Å; M69-Y273 HydrophobicContact CG-CE1 3.87Å; M69-Y273 HydrophobicContact CG-CE2 3.62Å; M69-Y273 HydrophobicContact CG-CG 4.13Å; M69-Y273 HydrophobicContact SD-CE1 4.37Å; M69-Y273 HydrophobicContact SD-CE2 4.28Å; M69-R277 PolarHBondContact O-NH2 2.85Å
70	V	89.7	Confident	87.4	Confident	30 Å²	30	46 Å²	46	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.1	176.2	-63.6	0	0	0	0	109.8	W60 V61 D63 K68	W60-V70 WeakPolarHBondContact CA-O 3.33Å; V61-V70 HydrophobicContact CG2-CG2 3.95Å; V61-V70 PolarHBondContact N-O 3.39Å; V61-V70 PolarHBondContact O-N 2.91Å; D63-V70 HydrophobicContact CB-CG1 4.1Å; D63-V70 HydrophobicContact CB-CG2 3.97Å; K68-V70 HydrophobicContact CD-CG1 4.36Å; K68-V70 HydrophobicContact CG-CG1 3.99Å
71	Q	88.6	Confident	87.5	Confident	75 Å²	75	45.6 Å²	45.6	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.9	175.8	-163.3	-179.8	12.1	0	0	107.4	I58 M59 W60	I58-Q71 HydrophobicContact CG2-CG 3.44Å; I58-Q71 VanDerWaalsContact CG2-CG 3.44Å; M59-Q71 WeakPolarHBondContact O-CA 3.39Å; W60-Q71 HydrophobicContact CD2-CB 4.21Å; W60-Q71 HydrophobicContact CD2-CG 4.47Å; W60-Q71 HydrophobicContact CE3-CB 4.11Å; W60-Q71 HydrophobicContact CH2-CB 4.35Å; W60-Q71 HydrophobicContact CZ2-CB 4.38Å; W60-Q71 HydrophobicContact CZ3-CB 4.22Å
72	R	90.3	Very high	87.5	Confident	90 Å²	90	45.8 Å²	45.8	34%	0.34	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.1	177.3	70.1	-178.6	-176.8	92.5	-0.6	110.3	M59 V61 I74 D233	M59-R72 PolarHBondContact N-O 3.5Å; M59-R72 PolarHBondContact O-N 3.28Å; M59-R72 VanDerWaalsContact O-N 3.1Å; V61-R72 HydrophobicContact CG2-CG 3.8Å; R72-I74 HydrophobicContact CG-CG2 3.76Å; R72-I74 PolarHBondContact O-N 2.92Å; R72-D233 IonicContact CZ-OD1 2.97Å; R72-D233 IonicContact NH1-OD1 3.17Å; R72-D233 PolarHBondContact NH1-OD1 3.04Å; R72-D233 IonicContact NH1-OD2 2.71Å; R72-D233 IonicContact NH2-OD1 2.94Å; R72-D233 PolarHBondContact NH2-OD1 3.19Å
73	E	93.1	Very high	87.7	Confident	124 Å²	124	45.4 Å²	45.4	58%	0.579	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68	129.8	167.9	-171.6	173.8	-109.8	0	0	108.3	I58	I58-E73 HydrophobicContact CG1-CB 4.45Å
74	I	92.6	Very high	88.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151	174	74.9	169.3	0	0	0	109.8	R56 E57 M59 V61 R72 Y76 D233 L237	R56-I74 WeakPolarHBondContact CA-O 3.17Å; E57-I74 PolarHBondContact N-O 3.4Å; E57-I74 VanDerWaalsContact N-O 3.17Å; E57-I74 PolarHBondContact O-N 3.32Å; M59-I74 HydrophobicContact CB-CD1 4.45Å; M59-I74 HydrophobicContact CB-CG1 4.48Å; M59-I74 HydrophobicContact CE-CD1 3.37Å; M59-I74 HydrophobicContact CE-CG1 3.68Å; V61-I74 HydrophobicContact CG1-CD1 4.17Å; V61-I74 HydrophobicContact CG1-CG2 4.14Å; R72-I74 HydrophobicContact CG-CG2 3.76Å; R72-I74 PolarHBondContact O-N 2.92Å; I74-Y76 HydrophobicContact CD1-CD1 4.24Å; I74-Y76 HydrophobicContact CD1-CG 4.38Å; I74-Y76 HydrophobicContact CG1-CD1 4.05Å; I74-D233 WeakPolarHBondContact CA-OD2 3.42Å; I74-D233 HydrophobicContact CB-CB 4.08Å; I74-L237 HydrophobicContact CD1-CB 4.04Å; I74-L237 HydrophobicContact CD1-CD1 4.13Å; I74-L237 HydrophobicContact CD1-CD2 4.22Å; I74-L237 HydrophobicContact CD1-CG 4.37Å
75	T	93	Very high	89.3	Confident	38 Å²	38	39 Å²	39	23%	0.233	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.7	169.9	-47.8	0	0	0	0	108.5	L54 H55 R56 D233	L54-T75 HydrophobicContact CB-CG2 4.06Å; L54-T75 HydrophobicContact CD2-CG2 3.96Å; L54-T75 HydrophobicContact CG-CG2 4.44Å; H55-T75 WeakPolarHBondContact O-CA 3.47Å; R56-T75 HydrophobicContact CG-CG2 4.02Å; T75-D233 PolarHBondContact N-OD2 3.39Å; T75-D233 VanDerWaalsContact O-CB 3.23Å; T75-D233 WeakPolarHBondContact O-CB 3.49Å
76	Y	93.7	Very high	90.1	Very high	9 Å²	9	32 Å²	32	4%	0.035	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	163.9	-176.8	79.9	-68	0	0	0	111.7	H55 E57 M59 I74 P78 I234 L237	H55-Y76 HydrophobicContact CB-CE1 4.26Å; H55-Y76 PolarHBondContact N-O 2.81Å; H55-Y76 PolarHBondContact O-N 2.92Å; E57-Y76 HydrophobicContact CB-CE1 4.46Å; M59-Y76 HydrophobicContact CE-CD1 3.48Å; M59-Y76 VanDerWaalsContact CE-CD1 3.48Å; M59-Y76 HydrophobicContact CE-CD2 4.25Å; M59-Y76 HydrophobicContact CE-CE1 3.11Å; M59-Y76 HydrophobicContact CE-CE2 3.92Å; M59-Y76 HydrophobicContact CE-CG 4.04Å; M59-Y76 HydrophobicContact SD-CE1 4.32Å; I74-Y76 HydrophobicContact CD1-CD1 4.24Å; I74-Y76 HydrophobicContact CD1-CG 4.38Å; I74-Y76 HydrophobicContact CG1-CD1 4.05Å; Y76-P78 HydrophobicContact CE2-CB 4.32Å; Y76-P78 HydrophobicContact CE2-CG 4.1Å; Y76-I234 HydrophobicContact CD2-CD1 4.32Å; Y76-L237 HydrophobicContact CD2-CD2 3.39Å; Y76-L237 HydrophobicContact CE2-CD2 3.7Å; Y76-L237 HydrophobicContact CG-CD2 3.91Å
77	V	93.9	Very high	91.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.			trans	-101.8	114.2	175.1	-177.4	0	0	0	0	109.8	V52 L54 G79 L80 Y81 F225 M227	V52-V77 VanDerWaalsContact O-CG1 3.31Å; V52-V77 WeakPolarHBondContact O-CG1 3.3Å; L54-V77 HydrophobicContact CD2-CG2 3.58Å; L54-V77 HydrophobicContact CG-CG2 4.12Å; V77-G79 VanDerWaalsContact C-N 3.32Å; V77-G79 PolarHBondContact O-N 3.42Å; V77-L80 HydrophobicContact CB-CB 4.12Å; V77-L80 HydrophobicContact CG1-CB 4.36Å; V77-L80 PolarHBondContact O-N 2.95Å; V77-Y81 PolarHBondContact O-N 2.84Å; V77-F225 HydrophobicContact CG1-CB 4.13Å; V77-F225 HydrophobicContact CG1-CD1 3.66Å; V77-F225 HydrophobicContact CG1-CG 4.3Å; V77-F225 HydrophobicContact CG2-CB 4.41Å; V77-M227 HydrophobicContact CB-SD 4.32Å; V77-M227 HydrophobicContact CG2-CG 4.19Å; V77-M227 HydrophobicContact CG2-SD 3.67Å
78	P	90.9	Very high	91.9	Very high	18 Å²	18	25 Å²	25	12%	0.117	12%	0.117	C	C	.	.	H	α-helix	trans	-55.2	-42.9	-178.8	-28.6	36	0	0	0	113.8	S51 E53 H55 Y76 L80 Y81 K82	S51-P78 WeakPolarHBondContact O-CD 3.33Å; E53-P78 WeakPolarHBondContact O-CD 3.23Å; H55-P78 HydrophobicContact CB-CG 4.19Å; Y76-P78 HydrophobicContact CE2-CB 4.32Å; Y76-P78 HydrophobicContact CE2-CG 4.1Å; P78-L80 VanDerWaalsContact C-N 3.35Å; P78-L80 PolarHBondContact O-N 3.45Å; P78-Y81 PolarHBondContact O-N 3.35Å; P78-K82 WeakPolarHBondContact O-CB 3.26Å; P78-K82 PolarHBondContact O-N 3.43Å
79	G	91.2	Very high	92.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.9	-43	178	0	0	0	0	0	113.6	I49 S51 V77 K82 I83	I49-G79 WeakPolarHBondContact O-CA 3.23Å; S51-G79 PolarHBondContact O-N 2.76Å; V77-G79 VanDerWaalsContact C-N 3.32Å; V77-G79 PolarHBondContact O-N 3.42Å; G79-K82 PolarHBondContact O-N 2.83Å; G79-I83 PolarHBondContact O-N 3.4Å; G79-I83 VanDerWaalsContact O-N 3.13Å
80	L	94.8	Very high	92.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-43.9	178.6	176.4	57.9	0	0	0	111.6	V77 P78 K82 I83 P220 L222 F225 M227 L230 I234 M238	V77-L80 HydrophobicContact CB-CB 4.12Å; V77-L80 HydrophobicContact CG1-CB 4.36Å; V77-L80 PolarHBondContact O-N 2.95Å; P78-L80 VanDerWaalsContact C-N 3.35Å; P78-L80 PolarHBondContact O-N 3.45Å; L80-K82 PolarHBondContact O-N 3.17Å; L80-I83 HydrophobicContact CD1-CD1 4.02Å; L80-I83 HydrophobicContact CD1-CG1 4.32Å; L80-I83 WeakPolarHBondContact O-CG1 3.34Å; L80-P220 HydrophobicContact CD1-CB 3.66Å; L80-P220 HydrophobicContact CD1-CG 3.79Å; L80-L222 HydrophobicContact CD1-CD2 4.41Å; L80-L222 HydrophobicContact CD2-CD2 4.01Å; L80-F225 HydrophobicContact CB-CD1 4.05Å; L80-F225 HydrophobicContact CB-CD2 4.28Å; L80-F225 HydrophobicContact CB-CE1 4.13Å; L80-F225 HydrophobicContact CB-CE2 4.38Å; L80-F225 HydrophobicContact CB-CG 4.1Å; L80-F225 HydrophobicContact CB-CZ 4.29Å; L80-F225 HydrophobicContact CD1-CD2 4.2Å; L80-F225 HydrophobicContact CD1-CE2 4.04Å; L80-M227 HydrophobicContact CD2-CE 4.31Å; L80-M227 HydrophobicContact CD2-SD 3.59Å; L80-M227 VanDerWaalsContact CD2-SD 3.59Å; L80-L230 HydrophobicContact CD2-CD2 3.96Å; L80-I234 HydrophobicContact CD2-CD1 4.45Å; L80-I234 HydrophobicContact CD2-CG1 3.93Å; L80-I234 HydrophobicContact CG-CD1 4.43Å; L80-I234 HydrophobicContact CG-CG1 4.25Å; L80-M238 HydrophobicContact CD1-CE 4.24Å; L80-M238 HydrophobicContact CG-CE 3.97Å
81	Y	93.7	Very high	92.3	Very high	26 Å²	26	22 Å²	22	10%	0.102	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-39.1	173.8	174	-109.1	0	0	0	111.2	V77 P78 F84 D85 L237 R240 R241	V77-Y81 PolarHBondContact O-N 2.84Å; P78-Y81 PolarHBondContact O-N 3.35Å; Y81-F84 PolarHBondContact O-N 2.89Å; Y81-D85 PolarHBondContact O-N 3.09Å; Y81-L237 HydrophobicContact CD1-CD2 4.34Å; Y81-L237 HydrophobicContact CD2-CD2 3.57Å; Y81-L237 HydrophobicContact CD2-CG 3.7Å; Y81-L237 HydrophobicContact CE2-CD2 4.06Å; Y81-L237 HydrophobicContact CE2-CG 3.76Å; Y81-L237 HydrophobicContact CG-CD2 3.73Å; Y81-L237 HydrophobicContact CG-CG 4.35Å; Y81-R240 PolarHBondContact OH-NH2 3.17Å; Y81-R241 HydrophobicContact CE2-CB 3.95Å; Y81-R241 HydrophobicContact CE2-CG 4.13Å; Y81-R241 VanDerWaalsContact OH-CD 3.31Å; Y81-R241 WeakPolarHBondContact OH-CD 3.23Å; Y81-R241 WeakPolarHBondContact OH-CG 3.48Å
82	K	90.3	Very high	92.5	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-41.8	-175.8	-172.9	60.8	-170.5	167.4	0	113.5	I49 P78 G79 L80 F84 D85 E86 Q376 T377	I49-K82 HydrophobicContact CB-CB 4.46Å; I49-K82 WeakPolarHBondContact O-CB 3.34Å; I49-K82 WeakPolarHBondContact O-CG 3.49Å; P78-K82 WeakPolarHBondContact O-CB 3.26Å; P78-K82 PolarHBondContact O-N 3.43Å; G79-K82 PolarHBondContact O-N 2.83Å; L80-K82 PolarHBondContact O-N 3.17Å; K82-F84 PolarHBondContact O-N 2.73Å; K82-D85 IonicContact NZ-OD2 2.67Å; K82-D85 PolarHBondContact NZ-OD2 3.47Å; K82-D85 PolarHBondContact O-N 3.01Å; K82-E86 WeakPolarHBondContact CE-OE1 3.36Å; K82-E86 IonicContact NZ-OE1 2.8Å; K82-E86 PolarHBondContact NZ-OE1 3.49Å; K82-E86 WeakPolarHBondContact O-CG 3.47Å; K82-E86 PolarHBondContact O-N 3.26Å; K82-Q376 VanDerWaalsContact CE-O 3.25Å; K82-Q376 WeakPolarHBondContact CE-O 3.42Å; K82-T377 PolarHBondContact NZ-O 2.95Å
83	I	93.1	Very high	92.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-32.9	178	59.2	166.2	0	0	0	112.3	I49 G79 L80 C169 F172 F218 P220 F225	I49-I83 HydrophobicContact CB-CG2 4.38Å; I49-I83 HydrophobicContact CD1-CG2 4.37Å; I49-I83 HydrophobicContact CG2-CG2 3.77Å; G79-I83 PolarHBondContact O-N 3.4Å; G79-I83 VanDerWaalsContact O-N 3.13Å; L80-I83 HydrophobicContact CD1-CD1 4.02Å; L80-I83 HydrophobicContact CD1-CG1 4.32Å; L80-I83 WeakPolarHBondContact O-CG1 3.34Å; I83-C169 HydrophobicContact CB-CB 4.08Å; I83-F172 HydrophobicContact CD1-CB 4.11Å; I83-F172 HydrophobicContact CG2-CB 4.2Å; I83-F218 HydrophobicContact CD1-CE2 4.31Å; I83-P220 HydrophobicContact CD1-CB 4.3Å; I83-F225 HydrophobicContact CD1-CE2 4.09Å; I83-F225 HydrophobicContact CD1-CZ 3.94Å
84	F	95.3	Very high	92.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.8	-48.3	172.1	164.5	-104.8	0	0	0	111.6	Y81 K82 E86 I87 L88 V106 I115 V117 F218 M238 R241	Y81-F84 PolarHBondContact O-N 2.89Å; K82-F84 PolarHBondContact O-N 2.73Å; F84-E86 VanDerWaalsContact C-N 3.29Å; F84-E86 PolarHBondContact O-N 2.94Å; F84-I87 PolarHBondContact O-N 3.31Å; F84-I87 VanDerWaalsContact O-N 3.15Å; F84-L88 HydrophobicContact CE1-CD2 4.24Å; F84-L88 HydrophobicContact CZ-CD2 4.12Å; F84-L88 PolarHBondContact O-N 2.98Å; F84-V106 HydrophobicContact CE2-CG1 3.85Å; F84-V106 HydrophobicContact CZ-CG1 4Å; F84-I115 HydrophobicContact CD2-CG2 3.77Å; F84-I115 HydrophobicContact CE2-CG2 4.03Å; F84-V117 HydrophobicContact CE2-CG2 4.33Å; F84-F218 HydrophobicContact CB-CZ 4.2Å; F84-F218 HydrophobicContact CD2-CZ 4.3Å; F84-M238 HydrophobicContact CB-CE 3.83Å; F84-M238 HydrophobicContact CB-SD 4.48Å; F84-M238 HydrophobicContact CD1-CB 4.05Å; F84-M238 HydrophobicContact CD1-CG 3.68Å; F84-M238 HydrophobicContact CD1-SD 4.44Å; F84-M238 HydrophobicContact CE1-CB 3.79Å; F84-M238 HydrophobicContact CE1-CG 3.97Å; F84-M238 HydrophobicContact CG-CE 4.22Å; F84-M238 HydrophobicContact CG-CG 4.08Å; F84-M238 HydrophobicContact CG-SD 4.24Å; F84-M238 HydrophobicContact CZ-CB 4.17Å; F84-R241 HydrophobicContact CE1-CB 4.05Å; F84-R241 HydrophobicContact CE1-CG 4.06Å
85	D	92.2	Very high	92.3	Very high	6 Å²	6	11 Å²	11	3%	0.032	6%	0.057	C	C	.	.	H	α-helix	trans	-57.7	-40.4	179.3	179	57.8	0	0	0	112	Y81 K82 I87 L88 V89 R241	Y81-D85 PolarHBondContact O-N 3.09Å; K82-D85 IonicContact NZ-OD2 2.67Å; K82-D85 PolarHBondContact NZ-OD2 3.47Å; K82-D85 PolarHBondContact O-N 3.01Å; D85-I87 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 2.87Å; D85-L88 PolarHBondContact O-N 3.45Å; D85-V89 WeakPolarHBondContact O-CB 3.25Å; D85-V89 VanDerWaalsContact O-CG2 3.25Å; D85-V89 WeakPolarHBondContact O-CG2 3.4Å; D85-V89 PolarHBondContact O-N 3.19Å; D85-R241 IonicContact OD1-CZ 3.94Å; D85-R241 VanDerWaalsContact OD1-CZ 3.26Å; D85-R241 IonicContact OD1-NE 2.67Å; D85-R241 PolarHBondContact OD1-NE 3.41Å; D85-R241 IonicContact OD1-NH2 3.18Å; D85-R241 PolarHBondContact OD1-NH2 3.33Å
86	E	89.4	Confident	92	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.033	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-35.9	178.3	-72.8	-68.2	145.2	0	0	112.9	K82 F84 N90 G165 K378	K82-E86 WeakPolarHBondContact CE-OE1 3.36Å; K82-E86 IonicContact NZ-OE1 2.8Å; K82-E86 PolarHBondContact NZ-OE1 3.49Å; K82-E86 WeakPolarHBondContact O-CG 3.47Å; K82-E86 PolarHBondContact O-N 3.26Å; F84-E86 VanDerWaalsContact C-N 3.29Å; F84-E86 PolarHBondContact O-N 2.94Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 3.38Å; E86-G165 VanDerWaalsContact OE2-CA 3.28Å; E86-G165 WeakPolarHBondContact OE2-CA 3.26Å; E86-K378 WeakPolarHBondContact OE1-CE 3.32Å; E86-K378 IonicContact OE1-NZ 3.06Å; E86-K378 PolarHBondContact OE1-NZ 3.36Å; E86-K378 IonicContact OE2-NZ 2.74Å; E86-K378 PolarHBondContact OE2-NZ 3.46Å
87	I	93.9	Very high	91.6	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-71.5	-42.6	174.9	-60.1	-51.8	0	0	0	110.8	F84 D85 N90 A91 V117 A166 C169 F176 V216 F218	F84-I87 PolarHBondContact O-N 3.31Å; F84-I87 VanDerWaalsContact O-N 3.15Å; D85-I87 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 2.87Å; I87-N90 PolarHBondContact O-N 3.48Å; I87-A91 PolarHBondContact O-N 2.6Å; I87-A91 VanDerWaalsContact O-N 3.15Å; I87-V117 HydrophobicContact CB-CG2 4.5Å; I87-V117 HydrophobicContact CG2-CB 3.72Å; I87-V117 HydrophobicContact CG2-CG1 4.3Å; I87-V117 HydrophobicContact CG2-CG2 3.78Å; I87-A166 HydrophobicContact CD1-CB 4.14Å; I87-C169 HydrophobicContact CD1-CB 3.82Å; I87-C169 HydrophobicContact CG1-CB 3.89Å; I87-F176 HydrophobicContact CD1-CE2 4.19Å; I87-F176 HydrophobicContact CD1-CZ 4.31Å; I87-V216 HydrophobicContact CD1-CG1 4.06Å; I87-V216 HydrophobicContact CG1-CG1 4.27Å; I87-V216 HydrophobicContact CG2-CB 3.79Å; I87-V216 HydrophobicContact CG2-CG1 3.88Å; I87-V216 HydrophobicContact CG2-CG2 4.31Å; I87-F218 HydrophobicContact CG1-CE1 4.19Å
88	L	94.2	Very high	91.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-39.9	-179.8	-170.9	69.5	0	0	0	112.2	F84 D85 N90 A91 A92 I104 V106 V117 R241 V245	F84-L88 HydrophobicContact CE1-CD2 4.24Å; F84-L88 HydrophobicContact CZ-CD2 4.12Å; F84-L88 PolarHBondContact O-N 2.98Å; D85-L88 PolarHBondContact O-N 3.45Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 2.97Å; L88-A92 PolarHBondContact O-N 3.04Å; L88-I104 HydrophobicContact CD1-CG2 4.22Å; L88-V106 HydrophobicContact CD1-CG2 3.58Å; L88-V117 HydrophobicContact CD1-CG1 4.12Å; L88-R241 HydrophobicContact CD2-CG 3.78Å; L88-V245 HydrophobicContact CD2-CB 4.32Å; L88-V245 HydrophobicContact CD2-CG2 3.5Å; L88-V245 HydrophobicContact CG-CG2 3.8Å
89	V	90.9	Very high	91.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-38.8	175.1	170.8	0	0	0	0	110.9	D85 A91 A92 D93 I316	D85-V89 WeakPolarHBondContact O-CB 3.25Å; D85-V89 VanDerWaalsContact O-CG2 3.25Å; D85-V89 WeakPolarHBondContact O-CG2 3.4Å; D85-V89 PolarHBondContact O-N 3.19Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 3.41Å; V89-A92 PolarHBondContact O-N 2.79Å; V89-D93 WeakPolarHBondContact O-CB 3.43Å; V89-D93 PolarHBondContact O-N 3.2Å; V89-I316 HydrophobicContact CG1-CG1 4.1Å; V89-I316 HydrophobicContact CG2-CG1 4.28Å
90	N	90.3	Very high	91.3	Very high	54 Å²	54	28 Å²	28	29%	0.289	14%	0.143	S	C	.	.	H	α-helix	trans	-62	-39	174.8	-72.4	-32.3	0	0	0	112.2	E86 I87 L88 D93 N94	E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 3.38Å; I87-N90 PolarHBondContact O-N 3.48Å; L88-N90 VanDerWaalsContact C-N 3.33Å; N90-D93 PolarHBondContact O-N 3.15Å; N90-N94 PolarHBondContact O-N 2.65Å
91	A	93.2	Very high	91.3	Very high	2 Å²	2	28 Å²	28	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-41.7	173.8	0	0	0	0	0	111.7	I87 L88 V89 N94 M101 I104 V117 N119	I87-A91 PolarHBondContact O-N 2.6Å; I87-A91 VanDerWaalsContact O-N 3.15Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 2.97Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 3.41Å; A91-N94 WeakPolarHBondContact O-CB 3.36Å; A91-N94 PolarHBondContact O-N 3.24Å; A91-M101 WeakPolarHBondContact O-CE 3.41Å; A91-I104 HydrophobicContact CB-CD1 4.18Å; A91-I104 HydrophobicContact CB-CG1 4.47Å; A91-V117 HydrophobicContact CB-CG1 3.78Å; A91-N119 HydrophobicContact CB-CB 4.07Å
92	A	92.5	Very high	91.4	Very high	2 Å²	2	30 Å²	30	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-39	175.9	0	0	0	0	0	112.7	L88 V89 N94 K95 V245	L88-A92 PolarHBondContact O-N 3.04Å; V89-A92 PolarHBondContact O-N 2.79Å; A92-N94 PolarHBondContact O-N 2.85Å; A92-K95 VanDerWaalsContact O-CB 3.24Å; A92-K95 WeakPolarHBondContact O-CB 3.48Å; A92-K95 PolarHBondContact O-N 3.16Å; A92-V245 HydrophobicContact CB-CG1 4.21Å
93	D	89.6	Confident	91.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-28.5	175.9	-85.6	-13.6	0	0	0	112	V89 N90 K95 Q96 R97 T158 G159 G160	V89-D93 WeakPolarHBondContact O-CB 3.43Å; V89-D93 PolarHBondContact O-N 3.2Å; N90-D93 PolarHBondContact O-N 3.15Å; D93-K95 PolarHBondContact O-N 3.34Å; D93-Q96 WeakPolarHBondContact O-CB 3.31Å; D93-Q96 PolarHBondContact O-N 3Å; D93-R97 PolarHBondContact O-N 3.49Å; D93-T158 HydrophobicContact CB-CG2 4.3Å; D93-T158 WeakPolarHBondContact OD1-CA 3.38Å; D93-G159 VanDerWaalsContact CG-N 3.29Å; D93-G159 PolarHBondContact OD1-N 3.38Å; D93-G159 PolarHBondContact OD2-N 3.2Å; D93-G160 PolarHBondContact OD2-N 3.34Å
94	N	91.5	Very high	91.8	Very high	19 Å²	19	30.5 Å²	30.5	10%	0.102	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-24.3	176.7	-157.2	46.1	0	0	0	112.2	N90 A91 A92 Q96 R97 D98 M101 N119 D120 R122	N90-N94 PolarHBondContact O-N 2.65Å; A91-N94 WeakPolarHBondContact O-CB 3.36Å; A91-N94 PolarHBondContact O-N 3.24Å; A92-N94 PolarHBondContact O-N 2.85Å; N94-Q96 PolarHBondContact O-N 3.05Å; N94-R97 PolarHBondContact O-N 3.14Å; N94-D98 PolarHBondContact O-N 3.25Å; N94-M101 HydrophobicContact CB-SD 3.71Å; N94-N119 PolarHBondContact ND2-ND2 2.89Å; N94-N119 VanDerWaalsContact ND2-ND2 3.13Å; N94-D120 PolarHBondContact ND2-O 3.04Å; N94-R122 PolarHBondContact ND2-O 3.3Å
95	K	91.2	Very high	92	Very high	35 Å²	35	34.8 Å²	34.8	15%	0.152	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-34.1	171.1	-172	51.8	175.2	178.2	0	112.9	A92 D93 D98 P99 M101 T249 K250 V252	A92-K95 VanDerWaalsContact O-CB 3.24Å; A92-K95 WeakPolarHBondContact O-CB 3.48Å; A92-K95 PolarHBondContact O-N 3.16Å; D93-K95 PolarHBondContact O-N 3.34Å; K95-D98 CarbonylContact O-C 3.57Å; K95-P99 PolarHBondContact NZ-O 3.15Å; K95-M101 HydrophobicContact CB-CE 3.56Å; K95-M101 HydrophobicContact CB-SD 4.47Å; K95-M101 HydrophobicContact CD-CB 4.07Å; K95-M101 HydrophobicContact CD-CE 4.36Å; K95-M101 WeakPolarHBondContact CD-O 3.12Å; K95-M101 HydrophobicContact CG-CE 4.39Å; K95-M101 PolarHBondContact NZ-O 2.82Å; K95-T249 HydrophobicContact CB-CG2 3.81Å; K95-T249 HydrophobicContact CG-CG2 3.89Å; K95-K250 VanDerWaalsContact CE-O 3.29Å; K95-K250 WeakPolarHBondContact CE-O 3.33Å; K95-V252 HydrophobicContact CB-CG2 4.41Å; K95-V252 HydrophobicContact CD-CG2 3.81Å; K95-V252 HydrophobicContact CG-CG2 4.01Å
96	Q	86.8	Confident	92.2	Very high	78 Å²	78	34.5 Å²	34.5	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-78.3	-33.1	179.3	-59	-58.7	-36.8	0	0	111.2	D93 N94 V157 T158	D93-Q96 WeakPolarHBondContact O-CB 3.31Å; D93-Q96 PolarHBondContact O-N 3Å; N94-Q96 PolarHBondContact O-N 3.05Å; Q96-V157 HydrophobicContact CG-CG2 4.35Å; Q96-T158 HydrophobicContact CB-CG2 4.37Å
97	R	85.4	Confident	92.6	Very high	127 Å²	127	37 Å²	37	48%	0.479	20%	0.196	S	C	.	.	H	α-helix	trans	-74.9	-38.9	175.8	-61.5	179.1	-171.6	-152.2	-3.4	112.1	D93 N94 S148	D93-R97 PolarHBondContact O-N 3.49Å; N94-R97 PolarHBondContact O-N 3.14Å; R97-S148 PolarHBondContact NH2-OG 2.85Å
98	D	90.1	Very high	92.8	Very high	16 Å²	16	37 Å²	37	9%	0.086	20%	0.196	C	C	.	.			trans	-129.7	97.8	179.3	-178.1	9	0	0	0	110.5	N94 K95 T100 M101 G121 R122	N94-D98 PolarHBondContact O-N 3.25Å; K95-D98 CarbonylContact O-C 3.57Å; D98-T100 PolarHBondContact O-N 3.04Å; D98-T100 WeakPolarHBondContact OD1-CB 3.27Å; D98-T100 PolarHBondContact OD1-N 2.89Å; D98-T100 PolarHBondContact OD1-OG1 3.05Å; D98-T100 PolarHBondContact OD2-OG1 3.12Å; D98-M101 WeakPolarHBondContact O-CB 3.47Å; D98-M101 PolarHBondContact O-N 3.1Å; D98-M101 VanDerWaalsContact O-N 3.09Å; D98-G121 WeakPolarHBondContact OD2-CA 3.42Å; D98-R122 HydrophobicContact CB-CB 4.07Å; D98-R122 PolarHBondContact OD2-N 2.98Å
99	P	88.9	Confident	92.8	Very high	98 Å²	98	39.9 Å²	39.9	64%	0.636	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.7	175.7	-25.4	35.1	0	0	0	114	K95 M101	K95-P99 PolarHBondContact NZ-O 3.15Å; P99-M101 VanDerWaalsContact C-N 3.34Å
100	T	91	Very high	92.9	Very high	102 Å²	102	43.3 Å²	43.3	63%	0.626	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.9	179	73.9	0	0	0	0	113.9	D98 T102	D98-T100 PolarHBondContact O-N 3.04Å; D98-T100 WeakPolarHBondContact OD1-CB 3.27Å; D98-T100 PolarHBondContact OD1-N 2.89Å; D98-T100 PolarHBondContact OD1-OG1 3.05Å; D98-T100 PolarHBondContact OD2-OG1 3.12Å; T100-T102 VanDerWaalsContact O-CG2 3.27Å; T100-T102 WeakPolarHBondContact O-CG2 3.36Å; T100-T102 PolarHBondContact O-N 3.22Å
101	M	94.5	Very high	93	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.			trans	-58.5	132.4	174.9	-172.3	-176.6	93.9	0	0	111.6	A91 N94 K95 D98 P99 I104 N119 D120 V252	A91-M101 WeakPolarHBondContact O-CE 3.41Å; N94-M101 HydrophobicContact CB-SD 3.71Å; K95-M101 HydrophobicContact CB-CE 3.56Å; K95-M101 HydrophobicContact CB-SD 4.47Å; K95-M101 HydrophobicContact CD-CB 4.07Å; K95-M101 HydrophobicContact CD-CE 4.36Å; K95-M101 WeakPolarHBondContact CD-O 3.12Å; K95-M101 HydrophobicContact CG-CE 4.39Å; K95-M101 PolarHBondContact NZ-O 2.82Å; D98-M101 WeakPolarHBondContact O-CB 3.47Å; D98-M101 PolarHBondContact O-N 3.1Å; D98-M101 VanDerWaalsContact O-N 3.09Å; P99-M101 VanDerWaalsContact C-N 3.34Å; M101-I104 HydrophobicContact CE-CD1 3.89Å; M101-I104 HydrophobicContact CE-CG1 4.05Å; M101-N119 HydrophobicContact SD-CB 4.18Å; M101-D120 VanDerWaalsContact CG-O 3.32Å; M101-D120 WeakPolarHBondContact CG-O 3.42Å; M101-D120 WeakPolarHBondContact CG-OD1 3.48Å; M101-V252 HydrophobicContact CE-CG1 4.16Å; M101-V252 HydrophobicContact CE-CG2 3.65Å
102	T	94.3	Very high	93	Very high	70 Å²	70	51.6 Å²	51.6	43%	0.429	27%	0.274	S	S	.	.			trans	-126.1	-12.7	-175.1	69.7	0	0	0	0	115	T100 D120 V252 K253	T100-T102 VanDerWaalsContact O-CG2 3.27Å; T100-T102 WeakPolarHBondContact O-CG2 3.36Å; T100-T102 PolarHBondContact O-N 3.22Å; T102-D120 VanDerWaalsContact N-CG 3.32Å; T102-D120 PolarHBondContact N-OD1 3Å; T102-D120 PolarHBondContact N-OD2 3.15Å; T102-D120 PolarHBondContact OG1-OD2 3.29Å; T102-V252 WeakPolarHBondContact O-CA 3.42Å; T102-K253 PolarHBondContact O-N 3.03Å
103	C	96.2	Very high	93.2	Very high	16 Å²	16	53 Å²	53	11%	0.108	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.4	-164.4	-170.6	0	0	0	0	112.9	W118 N119 D120 K253	C103-W118 HydrophobicContact CB-CZ3 4.13Å; C103-N119 WeakPolarHBondContact O-CA 3.35Å; C103-D120 PolarHBondContact N-OD1 2.68Å; C103-D120 PolarHBondContact N-OD2 3.08Å; C103-D120 PolarHBondContact O-N 3.41Å; C103-D120 VanDerWaalsContact O-N 3.14Å; C103-D120 VanDerWaalsContact O-OD1 3.1Å; C103-K253 WeakPolarHBondContact CA-O 3.27Å
104	I	97.6	Very high	93.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.8	167.2	-64.7	172.7	0	0	0	108.4	L88 A91 M101 V106 V117 W118 N119 V245 V252 K253 V254 Y255	L88-I104 HydrophobicContact CD1-CG2 4.22Å; A91-I104 HydrophobicContact CB-CD1 4.18Å; A91-I104 HydrophobicContact CB-CG1 4.47Å; M101-I104 HydrophobicContact CE-CD1 3.89Å; M101-I104 HydrophobicContact CE-CG1 4.05Å; I104-V106 HydrophobicContact CG2-CG2 4.22Å; I104-V117 HydrophobicContact CG2-CG1 4.4Å; I104-W118 CarbonylContact C-O 3.5Å; I104-W118 VanDerWaalsContact CA-O 3.3Å; I104-W118 WeakPolarHBondContact CA-O 3.2Å; I104-N119 HydrophobicContact CG1-CB 4.05Å; I104-V245 HydrophobicContact CD1-CG1 3.93Å; I104-V252 HydrophobicContact CB-CG1 4.24Å; I104-V252 HydrophobicContact CD1-CG1 3.89Å; I104-V252 HydrophobicContact CG1-CG1 3.75Å; I104-K253 PolarHBondContact N-O 2.85Å; I104-V254 HydrophobicContact CB-CG2 4.42Å; I104-V254 CarbonylContact O-C 3.5Å; I104-V254 VanDerWaalsContact O-CA 3.28Å; I104-V254 WeakPolarHBondContact O-CA 3.39Å; I104-Y255 PolarHBondContact O-N 3.17Å
105	K	98	Very high	93.8	Very high	90 Å²	90	55.3 Å²	55.3	39%	0.391	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123	175	-53.4	174.9	-177.9	169.5	0	109.3	V117 W118 Y255	K105-V117 WeakPolarHBondContact O-CA 3.41Å; K105-W118 HydrophobicContact CB-CB 4.25Å; K105-W118 HydrophobicContact CB-CE3 4.44Å; K105-W118 HydrophobicContact CD-CD2 4.36Å; K105-W118 HydrophobicContact CD-CE3 3.87Å; K105-W118 HydrophobicContact CD-CZ3 4.34Å; K105-W118 HydrophobicContact CG-CE3 3.91Å; K105-W118 HydrophobicContact CG-CZ3 4.47Å; K105-W118 PolarHBondContact N-O 3.46Å; K105-W118 PolarHBondContact O-N 2.84Å; K105-Y255 HydrophobicContact CG-CD2 4.28Å; K105-Y255 HydrophobicContact CG-CG 4.4Å
106	V	97.9	Very high	94.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.2	175.5	-176	0	0	0	0	108	F84 L88 I104 I108 S116 A242 Y255 L256 N257	F84-V106 HydrophobicContact CE2-CG1 3.85Å; F84-V106 HydrophobicContact CZ-CG1 4Å; L88-V106 HydrophobicContact CD1-CG2 3.58Å; I104-V106 HydrophobicContact CG2-CG2 4.22Å; V106-I108 HydrophobicContact CG1-CD1 4.41Å; V106-I108 HydrophobicContact CG1-CG1 4.15Å; V106-S116 CarbonylContact C-O 3.57Å; V106-S116 WeakPolarHBondContact CA-O 3.27Å; V106-A242 HydrophobicContact CB-CB 4.48Å; V106-A242 HydrophobicContact CG2-CB 4.26Å; V106-Y255 PolarHBondContact N-O 2.84Å; V106-L256 HydrophobicContact CB-CD1 4.17Å; V106-L256 HydrophobicContact CG1-CD1 4.06Å; V106-L256 CarbonylContact O-C 3.16Å; V106-L256 WeakPolarHBondContact O-CA 3.45Å; V106-N257 PolarHBondContact O-N 2.89Å
107	T	97.8	Very high	94.7	Very high	60 Å²	60	50.7 Å²	50.7	37%	0.368	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.9	174	-51.5	0	0	0	0	108.7	I115 S116 N257	T107-I115 CarbonylContact O-C 3.57Å; T107-I115 WeakPolarHBondContact O-CA 3.42Å; T107-S116 PolarHBondContact N-O 3.48Å; T107-S116 PolarHBondContact O-N 3.01Å; T107-N257 VanDerWaalsContact CA-OD1 3.28Å; T107-N257 WeakPolarHBondContact CA-OD1 3.25Å
108	I	96.6	Very high	95.3	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109	177.7	-54.6	171.9	0	0	0	106.4	V106 I115 L230 V235 M238 L256 N257	V106-I108 HydrophobicContact CG1-CD1 4.41Å; V106-I108 HydrophobicContact CG1-CG1 4.15Å; I108-I115 HydrophobicContact CG2-CG1 4.48Å; I108-L230 HydrophobicContact CG2-CD1 4.13Å; I108-V235 HydrophobicContact CG2-CG2 4.1Å; I108-M238 HydrophobicContact CD1-CB 3.58Å; I108-M238 HydrophobicContact CD1-SD 4.41Å; I108-L256 HydrophobicContact CD1-CD1 4.12Å; I108-N257 PolarHBondContact N-OD1 3.47Å; I108-N257 PolarHBondContact O-ND2 3.18Å; I108-N257 PolarHBondContact O-OD1 2.81Å
109	N	95.2	Very high	95.6	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	103.1	179.3	-172.6	-17	0	0	0	109.8	N111 T112 N113 E114	N109-N111 VanDerWaalsContact C-N 3.27Å; N109-N111 PolarHBondContact O-N 3.16Å; N109-N111 WeakPolarHBondContact OD1-CB 3.3Å; N109-N111 PolarHBondContact OD1-N 3Å; N109-T112 WeakPolarHBondContact CB-OG1 3.48Å; N109-T112 PolarHBondContact ND2-OG1 2.88Å; N109-T112 PolarHBondContact O-N 3.19Å; N109-T112 PolarHBondContact OD1-N 3.01Å; N109-N113 VanDerWaalsContact O-CA 3.25Å; N109-N113 WeakPolarHBondContact O-CA 3.2Å; N109-N113 PolarHBondContact O-N 3.13Å; N109-E114 PolarHBondContact N-O 2.64Å; N109-E114 PolarHBondContact O-N 2.89Å
110	Q	93	Very high	95.9	Very high	72 Å²	72	43.8 Å²	43.8	34%	0.336	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.1	179.3	-69.5	179.9	-82.7	0	0	113	N113 L230 N232 V235	Q110-N113 PolarHBondContact O-OD1 3.05Å; Q110-L230 HydrophobicContact CG-CB 4.31Å; Q110-L230 PolarHBondContact NE2-O 3.16Å; Q110-N232 PolarHBondContact NE2-OD1 3.48Å; Q110-V235 HydrophobicContact CG-CG2 3.67Å
111	N	91.3	Very high	96	Very high	157 Å²	157	39.3 Å²	39.3	84%	0.84	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.6	-177.4	-62.8	-20.2	0	0	0	111.6	N109	N109-N111 VanDerWaalsContact C-N 3.27Å; N109-N111 PolarHBondContact O-N 3.16Å; N109-N111 WeakPolarHBondContact OD1-CB 3.3Å; N109-N111 PolarHBondContact OD1-N 3Å
112	T	94.2	Very high	95.8	Very high	73 Å²	73	45.8 Å²	45.8	45%	0.448	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.6	-179.8	62.8	0	0	0	0	113.2	N109 E114	N109-T112 WeakPolarHBondContact CB-OG1 3.48Å; N109-T112 PolarHBondContact ND2-OG1 2.88Å; N109-T112 PolarHBondContact O-N 3.19Å; N109-T112 PolarHBondContact OD1-N 3.01Å; T112-E114 PolarHBondContact O-N 3.29Å; T112-E114 WeakPolarHBondContact OG1-CB 3.24Å; T112-E114 PolarHBondContact OG1-N 3.13Å
113	N	95.2	Very high	95.6	Very high	31 Å²	31	42.7 Å²	42.7	17%	0.166	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	25.2	-168.8	-60.8	-49.1	0	0	0	113.6	N109 Q110 P220 L222 A229 L230	N109-N113 VanDerWaalsContact O-CA 3.25Å; N109-N113 WeakPolarHBondContact O-CA 3.2Å; N109-N113 PolarHBondContact O-N 3.13Å; Q110-N113 PolarHBondContact O-OD1 3.05Å; N113-P220 WeakPolarHBondContact O-CD 3.2Å; N113-L222 HydrophobicContact CB-CD1 4.02Å; N113-A229 WeakPolarHBondContact OD1-CA 3.26Å; N113-L230 HydrophobicContact CB-CG 4.37Å; N113-L230 PolarHBondContact OD1-N 3.27Å
114	E	97.3	Very high	95.4	Very high	71 Å²	71	42.9 Å²	42.9	33%	0.332	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.2	179.3	-172.2	-178.5	91.1	0	0	110.8	N109 T112 I219	N109-E114 PolarHBondContact N-O 2.64Å; N109-E114 PolarHBondContact O-N 2.89Å; T112-E114 PolarHBondContact O-N 3.29Å; T112-E114 WeakPolarHBondContact OG1-CB 3.24Å; T112-E114 PolarHBondContact OG1-N 3.13Å; E114-I219 HydrophobicContact CB-CG1 4.12Å; E114-I219 HydrophobicContact CG-CG1 4.18Å
115	I	98.1	Very high	95.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.2	172.8	-56.8	170.9	0	0	0	108.9	F84 T107 I108 K217 F218 P220 L230 M238	F84-I115 HydrophobicContact CD2-CG2 3.77Å; F84-I115 HydrophobicContact CE2-CG2 4.03Å; T107-I115 CarbonylContact O-C 3.57Å; T107-I115 WeakPolarHBondContact O-CA 3.42Å; I108-I115 HydrophobicContact CG2-CG1 4.48Å; I115-K217 CarbonylContact O-C 3.58Å; I115-K217 WeakPolarHBondContact O-CA 3.23Å; I115-F218 HydrophobicContact CB-CD1 4.27Å; I115-F218 HydrophobicContact CB-CD2 4.5Å; I115-F218 HydrophobicContact CB-CE1 3.77Å; I115-F218 HydrophobicContact CB-CE2 4.03Å; I115-F218 HydrophobicContact CB-CZ 3.63Å; I115-F218 HydrophobicContact CD1-CE2 3.82Å; I115-F218 HydrophobicContact CD1-CZ 3.85Å; I115-F218 HydrophobicContact CG1-CE2 4.42Å; I115-F218 HydrophobicContact CG1-CZ 4.32Å; I115-F218 HydrophobicContact CG2-CE1 3.65Å; I115-F218 HydrophobicContact CG2-CE2 4.49Å; I115-F218 HydrophobicContact CG2-CZ 3.63Å; I115-F218 PolarHBondContact N-O 2.92Å; I115-F218 PolarHBondContact O-N 3.26Å; I115-P220 HydrophobicContact CD1-CG 4.13Å; I115-L230 HydrophobicContact CD1-CD1 4.14Å; I115-L230 HydrophobicContact CG1-CD1 4.05Å; I115-M238 HydrophobicContact CD1-CE 3.8Å; I115-M238 HydrophobicContact CD1-SD 3.78Å
116	S	97.7	Very high	94.9	Very high	12 Å²	12	40.8 Å²	40.8	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.1	178.6	173.6	0	0	0	0	110.8	V106 T107 V216	V106-S116 CarbonylContact C-O 3.57Å; V106-S116 WeakPolarHBondContact CA-O 3.27Å; T107-S116 PolarHBondContact N-O 3.48Å; T107-S116 PolarHBondContact O-N 3.01Å; S116-V216 CarbonylContact C-O 3.57Å; S116-V216 WeakPolarHBondContact CA-O 3.35Å
117	V	98.1	Very high	94.7	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.7	171.8	-176.8	0	0	0	0	108.4	F84 I87 L88 A91 I104 K105 C215 V216	F84-V117 HydrophobicContact CE2-CG2 4.33Å; I87-V117 HydrophobicContact CB-CG2 4.5Å; I87-V117 HydrophobicContact CG2-CB 3.72Å; I87-V117 HydrophobicContact CG2-CG1 4.3Å; I87-V117 HydrophobicContact CG2-CG2 3.78Å; L88-V117 HydrophobicContact CD1-CG1 4.12Å; A91-V117 HydrophobicContact CB-CG1 3.78Å; I104-V117 HydrophobicContact CG2-CG1 4.4Å; K105-V117 WeakPolarHBondContact O-CA 3.41Å; V117-C215 WeakPolarHBondContact O-CA 3.5Å; V117-V216 PolarHBondContact N-O 3.06Å; V117-V216 PolarHBondContact O-N 3.03Å
118	W	97.7	Very high	94.4	Very high	58 Å²	58	45.4 Å²	45.4	22%	0.22	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.7	178.4	-179.4	102.4	0	0	0	109.5	C103 I104 K105 D120 Y213 T214 C215	C103-W118 HydrophobicContact CB-CZ3 4.13Å; I104-W118 CarbonylContact C-O 3.5Å; I104-W118 VanDerWaalsContact CA-O 3.3Å; I104-W118 WeakPolarHBondContact CA-O 3.2Å; K105-W118 HydrophobicContact CB-CB 4.25Å; K105-W118 HydrophobicContact CB-CE3 4.44Å; K105-W118 HydrophobicContact CD-CD2 4.36Å; K105-W118 HydrophobicContact CD-CE3 3.87Å; K105-W118 HydrophobicContact CD-CZ3 4.34Å; K105-W118 HydrophobicContact CG-CE3 3.91Å; K105-W118 HydrophobicContact CG-CZ3 4.47Å; K105-W118 PolarHBondContact N-O 3.46Å; K105-W118 PolarHBondContact O-N 2.84Å; W118-D120 HydrophobicContact CH2-CB 3.64Å; W118-D120 HydrophobicContact CZ3-CB 3.93Å; W118-Y213 AromaticContact CD1-CD2 3.79Å; W118-Y213 HydrophobicContact CZ2-CG 4.17Å; W118-Y213 AromaticContact NE1-CD2 3.18Å; W118-Y213 AromaticContact NE1-CE2 3.9Å; W118-Y213 AromaticContact NE1-CG 3.5Å; W118-T214 CarbonylContact C-O 3.49Å; W118-T214 WeakPolarHBondContact CA-O 3.21Å; W118-C215 HydrophobicContact CB-CB 4.47Å; W118-C215 HydrophobicContact CG-CB 4.43Å
119	N	97.2	Very high	94.2	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.7	171.1	66.8	-90.4	0	0	0	111.2	A91 N94 M101 C103 I104 Y213 T214	A91-N119 HydrophobicContact CB-CB 4.07Å; N94-N119 PolarHBondContact ND2-ND2 2.89Å; N94-N119 VanDerWaalsContact ND2-ND2 3.13Å; M101-N119 HydrophobicContact SD-CB 4.18Å; C103-N119 WeakPolarHBondContact O-CA 3.35Å; I104-N119 HydrophobicContact CG1-CB 4.05Å; N119-Y213 VanDerWaalsContact O-CA 3.31Å; N119-Y213 WeakPolarHBondContact O-CA 3.38Å; N119-Y213 WeakPolarHBondContact O-CB 3.34Å; N119-T214 PolarHBondContact N-O 3.47Å; N119-T214 PolarHBondContact O-N 3.19Å
120	D	95.6	Very high	93.9	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.144	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-167.9	166.2	70	-17.3	0	0	0	110.8	N94 M101 T102 C103 W118	N94-D120 PolarHBondContact ND2-O 3.04Å; M101-D120 VanDerWaalsContact CG-O 3.32Å; M101-D120 WeakPolarHBondContact CG-O 3.42Å; M101-D120 WeakPolarHBondContact CG-OD1 3.48Å; T102-D120 VanDerWaalsContact N-CG 3.32Å; T102-D120 PolarHBondContact N-OD1 3Å; T102-D120 PolarHBondContact N-OD2 3.15Å; T102-D120 PolarHBondContact OG1-OD2 3.29Å; C103-D120 PolarHBondContact N-OD1 2.68Å; C103-D120 PolarHBondContact N-OD2 3.08Å; C103-D120 PolarHBondContact O-N 3.41Å; C103-D120 VanDerWaalsContact O-N 3.14Å; C103-D120 VanDerWaalsContact O-OD1 3.1Å; W118-D120 HydrophobicContact CH2-CB 3.64Å; W118-D120 HydrophobicContact CZ3-CB 3.93Å
121	G	92.2	Very high	93.7	Very high	9 Å²	9	56.1 Å²	56.1	9%	0.093	28%	0.284	C	S	.	.	S	Bend	trans	76.8	177.6	-173.4	0	0	0	0	0	111.8	D98 G123 D212	D98-G121 WeakPolarHBondContact OD2-CA 3.42Å; G121-G123 PolarHBondContact O-N 3.42Å; G121-D212 CarbonylContact O-C 3.27Å; G121-D212 WeakPolarHBondContact O-CB 3.43Å
122	R	91.3	Very high	93.6	Very high	135 Å²	135	53.3 Å²	53.3	51%	0.509	27%	0.266	S	S	.	.	S	Bend	trans	-45.2	122.3	-172.1	-165.8	-179.5	-62.1	-167.9	2.9	111.7	N94 D98	N94-R122 PolarHBondContact ND2-O 3.3Å; D98-R122 HydrophobicContact CB-CB 4.07Å; D98-R122 PolarHBondContact OD2-N 2.98Å
123	G	89.7	Confident	93.5	Very high	6 Å²	6	57 Å²	57	6%	0.062	28%	0.276	C	S	.	.			trans	-73.6	176.8	176.1	0	0	0	0	0	112.4	G121	G121-G123 PolarHBondContact O-N 3.42Å
124	I	92.4	Very high	93.3	Very high	20 Å²	20	58.5 Å²	58.5	10%	0.103	28%	0.283	C	S	.	.			trans	-77.2	135.3	177	-56	148	0	0	0	108.7	V126 V136 P137 I140 F141 V178 T180 C182 T214	I124-V126 WeakPolarHBondContact O-CG2 3.32Å; I124-V126 PolarHBondContact O-N 3.47Å; I124-V126 VanDerWaalsContact O-N 3.08Å; I124-V136 HydrophobicContact CG2-CG1 4.07Å; I124-P137 HydrophobicContact CB-CG 4.25Å; I124-P137 HydrophobicContact CG2-CB 4.35Å; I124-P137 HydrophobicContact CG2-CG 3.74Å; I124-I140 HydrophobicContact CG1-CD1 4.45Å; I124-I140 HydrophobicContact CG2-CD1 3.69Å; I124-F141 HydrophobicContact CD1-CD2 4.49Å; I124-F141 HydrophobicContact CD1-CE2 3.51Å; I124-F141 HydrophobicContact CD1-CZ 4.16Å; I124-V178 HydrophobicContact CD1-CG1 4.26Å; I124-T180 HydrophobicContact CB-CG2 4.14Å; I124-T180 HydrophobicContact CD1-CG2 4.26Å; I124-T180 PolarHBondContact N-OG1 3.49Å; I124-T180 VanDerWaalsContact N-OG1 3.07Å; I124-C182 WeakPolarHBondContact O-CB 3.49Å; I124-T214 HydrophobicContact CD1-CG2 3.69Å; I124-T214 HydrophobicContact CG1-CG2 4.38Å
125	P	92.6	Very high	93.2	Very high	46 Å²	46	58.2 Å²	58.2	30%	0.299	28%	0.279	S	S	.	.			trans	-52.8	114.4	177.5	-30.5	37.5	0	0	0	113	V127 V136 P137 Y185	P125-V127 VanDerWaalsContact C-N 3.25Å; P125-V127 HydrophobicContact CB-CG1 4.01Å; P125-V127 PolarHBondContact O-N 3.49Å; P125-V136 WeakPolarHBondContact O-CB 3.47Å; P125-P137 WeakPolarHBondContact O-CD 3.43Å; P125-Y185 HydrophobicContact CB-CD2 4.13Å; P125-Y185 HydrophobicContact CB-CE2 3.59Å; P125-Y185 HydrophobicContact CG-CE2 4.17Å
126	V	92.6	Very high	93	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.			trans	-88.6	69.1	178.4	-172.4	0	0	0	0	109.7	I124 Y135 T180 C182 K187 F189 V205	I124-V126 WeakPolarHBondContact O-CG2 3.32Å; I124-V126 PolarHBondContact O-N 3.47Å; I124-V126 VanDerWaalsContact O-N 3.08Å; V126-Y135 HydrophobicContact CG1-CD1 4.45Å; V126-T180 HydrophobicContact CG2-CG2 4.09Å; V126-C182 HydrophobicContact CG2-CB 4.11Å; V126-K187 HydrophobicContact CB-CB 3.79Å; V126-K187 HydrophobicContact CG1-CB 3.79Å; V126-K187 HydrophobicContact CG1-CD 4.21Å; V126-K187 HydrophobicContact CG2-CB 4.42Å; V126-F189 HydrophobicContact CB-CB 4.4Å; V126-F189 HydrophobicContact CG1-CB 3.78Å; V126-F189 HydrophobicContact CG1-CD2 4.18Å; V126-F189 HydrophobicContact CG1-CG 4.45Å; V126-F189 HydrophobicContact CG2-CB 3.66Å; V126-V205 HydrophobicContact CG1-CG1 3.87Å; V126-V205 HydrophobicContact CG1-CG2 4.4Å
127	V	92.9	Very high	92.8	Very high	55 Å²	55	58.9 Å²	58.9	33%	0.333	28%	0.283	S	S	.	.	S	Bend	trans	-135.4	151.2	-178.4	65.4	0	0	0	0	110	P125 Y135 V136 Y185	P125-V127 VanDerWaalsContact C-N 3.25Å; P125-V127 HydrophobicContact CB-CG1 4.01Å; P125-V127 PolarHBondContact O-N 3.49Å; V127-Y135 WeakPolarHBondContact O-CA 3.35Å; V127-V136 HydrophobicContact CG1-CG2 4.03Å; V127-V136 WeakPolarHBondContact O-CG2 3.49Å; V127-V136 PolarHBondContact O-N 3.03Å; V127-Y185 HydrophobicContact CB-CD1 3.88Å; V127-Y185 HydrophobicContact CB-CE1 3.74Å; V127-Y185 HydrophobicContact CG1-CD1 4.46Å; V127-Y185 HydrophobicContact CG1-CE1 3.92Å; V127-Y185 HydrophobicContact CG2-CD1 4.44Å; V127-Y185 HydrophobicContact CG2-CE1 4.16Å
128	E	92	Very high	92.6	Very high	101 Å²	101	59.8 Å²	59.8	47%	0.472	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-75	130.1	174.4	-161.4	-175	152.4	0	0	110.3	K130	E128-K130 PolarHBondContact O-N 3.47Å
129	H	91.3	Very high	92.4	Very high	69 Å²	69	57.8 Å²	57.8	32%	0.319	28%	0.282	S	S	.	.			trans	-73.6	122.2	177	-170.5	-105.2	0	0	0	110	V131 E132 K133 M134 V136 L139	H129-V131 PolarHBondContact O-N 3.17Å; H129-V131 VanDerWaalsContact O-N 3.12Å; H129-E132 HydrophobicContact CB-CB 4.31Å; H129-E132 VanDerWaalsContact ND1-CG 3.31Å; H129-E132 WeakPolarHBondContact ND1-CG 3.27Å; H129-E132 PolarHBondContact ND1-N 3.42Å; H129-E132 PolarHBondContact O-N 3.42Å; H129-K133 PolarHBondContact O-N 3.41Å; H129-M134 WeakPolarHBondContact CB-O 3.42Å; H129-M134 PolarHBondContact N-O 2.86Å; H129-V136 HydrophobicContact CB-CG2 4.29Å; H129-L139 HydrophobicContact CB-CD2 4.18Å
130	K	89.6	Confident	92.1	Very high	184 Å²	184	59.7 Å²	59.7	80%	0.8	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.8	-170.8	-68	-176.7	179.2	179.4	0	114	E128 K133	E128-K130 PolarHBondContact O-N 3.47Å; K130-K133 WeakPolarHBondContact O-CE 3.41Å; K130-K133 PolarHBondContact O-NZ 3.47Å
131	V	88.9	Confident	92	Very high	111 Å²	111	59.1 Å²	59.1	67%	0.673	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-47.1	-177.3	-179.1	0	0	0	0	111.6	H129 K133	H129-V131 PolarHBondContact O-N 3.17Å; H129-V131 VanDerWaalsContact O-N 3.12Å; V131-K133 PolarHBondContact O-N 2.97Å
132	E	89.8	Confident	91.9	Very high	98 Å²	98	59.6 Å²	59.6	46%	0.458	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.7	-170.8	-59.8	-61.4	153.5	0	0	113.2	H129 M134 L139	H129-E132 HydrophobicContact CB-CB 4.31Å; H129-E132 VanDerWaalsContact ND1-CG 3.31Å; H129-E132 WeakPolarHBondContact ND1-CG 3.27Å; H129-E132 PolarHBondContact ND1-N 3.42Å; H129-E132 PolarHBondContact O-N 3.42Å; E132-M134 HydrophobicContact CB-CG 4.23Å; E132-M134 PolarHBondContact O-N 2.91Å; E132-M134 VanDerWaalsContact O-N 3.14Å; E132-L139 HydrophobicContact CB-CD1 4.03Å; E132-L139 HydrophobicContact CB-CD2 4.14Å; E132-L139 HydrophobicContact CG-CD1 3.86Å; E132-L139 HydrophobicContact CG-CD2 3.87Å
133	K	90.6	Very high	91.8	Very high	150 Å²	150	55.8 Å²	55.8	65%	0.652	28%	0.284	S	S	*	.			trans	51.9	38.6	175	-55.4	-54.9	-170.8	-168.1	0	114.2	H129 K130 V131	H129-K133 PolarHBondContact O-N 3.41Å; K130-K133 WeakPolarHBondContact O-CE 3.41Å; K130-K133 PolarHBondContact O-NZ 3.47Å; V131-K133 PolarHBondContact O-N 2.97Å
134	M	92	Very high	91.7	Very high	62 Å²	62	56.6 Å²	56.6	31%	0.305	29%	0.287	S	S	.	.	S	Bend	trans	-148	160.9	175.2	64	178.7	66	0	0	110.5	H129 E132 T138 L139	H129-M134 WeakPolarHBondContact CB-O 3.42Å; H129-M134 PolarHBondContact N-O 2.86Å; E132-M134 HydrophobicContact CB-CG 4.23Å; E132-M134 PolarHBondContact O-N 2.91Å; E132-M134 VanDerWaalsContact O-N 3.14Å; M134-T138 HydrophobicContact CB-CG2 4.46Å; M134-T138 HydrophobicContact SD-CG2 4.1Å; M134-L139 HydrophobicContact CG-CB 3.98Å; M134-L139 HydrophobicContact CG-CD1 4.46Å; M134-L139 HydrophobicContact SD-CB 3.9Å; M134-L139 HydrophobicContact SD-CD1 3.92Å
135	Y	94.7	Very high	91.3	Very high	65 Å²	65	59.7 Å²	59.7	26%	0.255	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-60.8	141.1	176.5	-74.2	-73.8	0	0	0	111.6	V126 V127 T138 L139 F189 P203 V205	V126-Y135 HydrophobicContact CG1-CD1 4.45Å; V127-Y135 WeakPolarHBondContact O-CA 3.35Å; Y135-T138 WeakPolarHBondContact O-CA 3.46Å; Y135-T138 VanDerWaalsContact O-CB 3.26Å; Y135-T138 WeakPolarHBondContact O-CB 3.41Å; Y135-T138 PolarHBondContact O-N 3.44Å; Y135-L139 PolarHBondContact O-N 3.45Å; Y135-F189 HydrophobicContact CD2-CE2 4.39Å; Y135-F189 HydrophobicContact CG-CD2 4.49Å; Y135-F189 HydrophobicContact CG-CE2 4.19Å; Y135-P203 HydrophobicContact CD2-CB 4.38Å; Y135-P203 HydrophobicContact CD2-CG 3.9Å; Y135-P203 HydrophobicContact CE2-CG 4.24Å; Y135-V205 HydrophobicContact CD2-CG2 4.26Å; Y135-V205 HydrophobicContact CE1-CG2 4.21Å; Y135-V205 HydrophobicContact CE2-CG2 3.84Å
136	V	93.7	Very high	90.8	Very high	27 Å²	27	58.5 Å²	58.5	16%	0.164	30%	0.295	C	S	.	.	H	α-helix	trans	-54.3	-43.6	179.6	170.6	0	0	0	0	112.6	I124 P125 V127 H129 T138 L139 I140	I124-V136 HydrophobicContact CG2-CG1 4.07Å; P125-V136 WeakPolarHBondContact O-CB 3.47Å; V127-V136 HydrophobicContact CG1-CG2 4.03Å; V127-V136 WeakPolarHBondContact O-CG2 3.49Å; V127-V136 PolarHBondContact O-N 3.03Å; H129-V136 HydrophobicContact CB-CG2 4.29Å; V136-T138 VanDerWaalsContact C-N 3.34Å; V136-T138 PolarHBondContact O-N 3.26Å; V136-L139 WeakPolarHBondContact O-CB 3.46Å; V136-L139 PolarHBondContact O-N 3.26Å; V136-I140 HydrophobicContact CG1-CD1 4.41Å; V136-I140 HydrophobicContact CG1-CG2 4.23Å; V136-I140 WeakPolarHBondContact O-CG1 3.23Å; V136-I140 WeakPolarHBondContact O-CG2 3.33Å; V136-I140 PolarHBondContact O-N 2.89Å
137	P	94.1	Very high	90.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-42.3	172.6	-25.4	32.9	0	0	0	113.3	I124 P125 L139 F141 T180 F189	I124-P137 HydrophobicContact CB-CG 4.25Å; I124-P137 HydrophobicContact CG2-CB 4.35Å; I124-P137 HydrophobicContact CG2-CG 3.74Å; P125-P137 WeakPolarHBondContact O-CD 3.43Å; P137-L139 VanDerWaalsContact C-N 3.33Å; P137-L139 PolarHBondContact O-N 2.94Å; P137-F141 WeakPolarHBondContact O-CB 3.46Å; P137-F141 WeakPolarHBondContact O-CD2 3.36Å; P137-F141 PolarHBondContact O-N 2.99Å; P137-T180 HydrophobicContact CG-CG2 4.33Å; P137-F189 HydrophobicContact CB-CD1 3.6Å; P137-F189 HydrophobicContact CB-CD2 4.22Å; P137-F189 HydrophobicContact CB-CE1 3.41Å; P137-F189 VanDerWaalsContact CB-CE1 3.41Å; P137-F189 HydrophobicContact CB-CE2 4.03Å; P137-F189 HydrophobicContact CB-CG 4.03Å; P137-F189 HydrophobicContact CB-CZ 3.63Å; P137-F189 HydrophobicContact CG-CB 4.48Å; P137-F189 HydrophobicContact CG-CD1 3.98Å; P137-F189 HydrophobicContact CG-CD2 4.07Å; P137-F189 HydrophobicContact CG-CE1 4.22Å; P137-F189 HydrophobicContact CG-CE2 4.28Å; P137-F189 HydrophobicContact CG-CG 3.92Å; P137-F189 HydrophobicContact CG-CZ 4.36Å
138	T	94.5	Very high	89.7	Confident	21 Å²	21	60.6 Å²	60.6	13%	0.129	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-45.4	175.1	-54.3	0	0	0	0	111.1	M134 Y135 V136 G142 F189 Q191 W193	M134-T138 HydrophobicContact CB-CG2 4.46Å; M134-T138 HydrophobicContact SD-CG2 4.1Å; Y135-T138 WeakPolarHBondContact O-CA 3.46Å; Y135-T138 VanDerWaalsContact O-CB 3.26Å; Y135-T138 WeakPolarHBondContact O-CB 3.41Å; Y135-T138 PolarHBondContact O-N 3.44Å; V136-T138 VanDerWaalsContact C-N 3.34Å; V136-T138 PolarHBondContact O-N 3.26Å; T138-G142 WeakPolarHBondContact O-CA 3.33Å; T138-G142 PolarHBondContact O-N 2.62Å; T138-F189 WeakPolarHBondContact OG1-CZ 3.31Å; T138-Q191 VanDerWaalsContact CB-OE1 3.29Å; T138-Q191 PolarHBondContact OG1-OE1 2.81Å; T138-W193 HydrophobicContact CG2-CZ2 4.31Å
139	L	92.3	Very high	88.9	Confident	16 Å²	16	56 Å²	56	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-54	179.9	179.5	61.4	0	0	0	111.8	H129 E132 M134 Y135 V136 P137 F141 T143 T146	H129-L139 HydrophobicContact CB-CD2 4.18Å; E132-L139 HydrophobicContact CB-CD1 4.03Å; E132-L139 HydrophobicContact CB-CD2 4.14Å; E132-L139 HydrophobicContact CG-CD1 3.86Å; E132-L139 HydrophobicContact CG-CD2 3.87Å; M134-L139 HydrophobicContact CG-CB 3.98Å; M134-L139 HydrophobicContact CG-CD1 4.46Å; M134-L139 HydrophobicContact SD-CB 3.9Å; M134-L139 HydrophobicContact SD-CD1 3.92Å; Y135-L139 PolarHBondContact O-N 3.45Å; V136-L139 WeakPolarHBondContact O-CB 3.46Å; V136-L139 PolarHBondContact O-N 3.26Å; P137-L139 VanDerWaalsContact C-N 3.33Å; P137-L139 PolarHBondContact O-N 2.94Å; L139-F141 VanDerWaalsContact C-N 3.32Å; L139-F141 PolarHBondContact O-N 3.22Å; L139-T143 WeakPolarHBondContact O-CB 3.44Å; L139-T143 PolarHBondContact O-N 3.41Å; L139-T143 VanDerWaalsContact O-N 3.09Å; L139-T146 HydrophobicContact CD1-CG2 3.86Å; L139-T146 HydrophobicContact CG-CG2 4Å; L139-T146 PolarHBondContact O-OG1 3.06Å
140	I	91.7	Very high	88.2	Confident	51 Å²	51	58.1 Å²	58.1	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-78.4	-14	-168.8	71.6	-177.6	0	0	0	114.5	I124 V136 T146 K167	I124-I140 HydrophobicContact CG1-CD1 4.45Å; I124-I140 HydrophobicContact CG2-CD1 3.69Å; V136-I140 HydrophobicContact CG1-CD1 4.41Å; V136-I140 HydrophobicContact CG1-CG2 4.23Å; V136-I140 WeakPolarHBondContact O-CG1 3.23Å; V136-I140 WeakPolarHBondContact O-CG2 3.33Å; V136-I140 PolarHBondContact O-N 2.89Å; I140-T146 WeakPolarHBondContact CA-OG1 3.37Å; I140-K167 WeakPolarHBondContact O-CD 3.37Å; I140-K167 PolarHBondContact O-NZ 2.99Å
141	F	93	Very high	87.8	Confident	16 Å²	16	53.5 Å²	53.5	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-111.5	-20.9	176.4	-73.5	-82.9	0	0	0	114.2	I124 P137 L139 A166 N170 F176 V178 W193 V216	I124-F141 HydrophobicContact CD1-CD2 4.49Å; I124-F141 HydrophobicContact CD1-CE2 3.51Å; I124-F141 HydrophobicContact CD1-CZ 4.16Å; P137-F141 WeakPolarHBondContact O-CB 3.46Å; P137-F141 WeakPolarHBondContact O-CD2 3.36Å; P137-F141 PolarHBondContact O-N 2.99Å; L139-F141 VanDerWaalsContact C-N 3.32Å; L139-F141 PolarHBondContact O-N 3.22Å; F141-A166 HydrophobicContact CD1-CB 3.6Å; F141-A166 HydrophobicContact CE1-CB 3.55Å; F141-N170 PolarHBondContact O-ND2 3.43Å; F141-F176 HydrophobicContact CB-CE1 4.19Å; F141-F176 AromaticContact CD1-CE1 3.59Å; F141-F176 HydrophobicContact CD1-CE1 3.59Å; F141-F176 AromaticContact CD1-CZ 3.64Å; F141-F176 HydrophobicContact CD1-CZ 3.64Å; F141-F176 HydrophobicContact CE1-CE1 4.36Å; F141-F176 HydrophobicContact CE1-CZ 4.08Å; F141-F176 HydrophobicContact CG-CE1 4.22Å; F141-V178 HydrophobicContact CB-CG2 4.06Å; F141-V178 HydrophobicContact CD1-CG2 3.73Å; F141-V178 HydrophobicContact CD2-CG1 4.11Å; F141-V178 HydrophobicContact CD2-CG2 3.91Å; F141-V178 HydrophobicContact CE1-CG2 4.1Å; F141-V178 HydrophobicContact CE2-CG1 4.03Å; F141-V178 HydrophobicContact CE2-CG2 4.31Å; F141-V178 HydrophobicContact CG-CG2 3.63Å; F141-V178 HydrophobicContact CZ-CG1 4.45Å; F141-V178 HydrophobicContact CZ-CG2 4.38Å; F141-W193 HydrophobicContact CB-CH2 3.95Å; F141-W193 HydrophobicContact CB-CZ2 4.49Å; F141-W193 HydrophobicContact CB-CZ3 4.22Å; F141-V216 HydrophobicContact CE1-CG2 3.97Å; F141-V216 HydrophobicContact CZ-CG2 4.16Å
142	G	91	Very high	87.2	Confident	18 Å²	18	52 Å²	52	19%	0.186	27%	0.269	C	S	.	.	H	α-helix	trans	-104.7	-12.1	-179	0	0	0	0	0	115.1	T138	T138-G142 WeakPolarHBondContact O-CA 3.33Å; T138-G142 PolarHBondContact O-N 2.62Å
143	T	88.3	Confident	86.5	Confident	56 Å²	56	51.7 Å²	51.7	34%	0.344	28%	0.278	S	S	.	.	S	Bend	trans	-123.3	126.9	-177.4	-48.9	0	0	0	0	111	L139 T146 K167	L139-T143 WeakPolarHBondContact O-CB 3.44Å; L139-T143 PolarHBondContact O-N 3.41Å; L139-T143 VanDerWaalsContact O-N 3.09Å; T143-T146 HydrophobicContact CG2-CG2 4.29Å; T143-T146 WeakPolarHBondContact O-CG2 3.3Å; T143-T146 PolarHBondContact O-OG1 2.93Å; T143-K167 VanDerWaalsContact O-CD 3.28Å; T143-K167 WeakPolarHBondContact O-CD 3.46Å; T143-K167 WeakPolarHBondContact O-CE 3.49Å; T143-K167 WeakPolarHBondContact O-CG 3.31Å
144	L	86.7	Confident	85.9	Confident	22 Å²	22	49.8 Å²	49.8	12%	0.115	27%	0.271	C	S	.	.	S	Bend	trans	-59.8	159.6	173	-74.4	172.8	0	0	0	110.9	Q37 T146 Y164 K167 I171 M197	Q37-L144 HydrophobicContact CB-CD1 4.34Å; Q37-L144 HydrophobicContact CG-CD1 3.9Å; L144-T146 VanDerWaalsContact C-N 3.35Å; L144-T146 PolarHBondContact O-N 3.15Å; L144-Y164 HydrophobicContact CD2-CD1 3.82Å; L144-Y164 HydrophobicContact CD2-CE1 4.13Å; L144-K167 HydrophobicContact CD2-CB 3.72Å; L144-K167 HydrophobicContact CD2-CG 4.36Å; L144-I171 HydrophobicContact CD1-CD1 4.19Å; L144-I171 HydrophobicContact CD2-CD1 3.83Å; L144-I171 HydrophobicContact CG-CD1 4.22Å; L144-M197 HydrophobicContact CG-CE 4.47Å
145	L	84.9	Confident	85.4	Confident	86 Å²	86	52.8 Å²	52.8	45%	0.45	28%	0.283	S	S	.	.	S	Bend	trans	60.2	39.8	177.6	-58.6	171.8	0	0	0	114.2	Y150 G163 Y164	L145-Y150 WeakPolarHBondContact CA-OH 3.26Å; L145-Y150 WeakPolarHBondContact O-CE2 3.4Å; L145-Y150 PolarHBondContact O-OH 2.98Å; L145-G163 PolarHBondContact N-O 3.42Å; L145-Y164 HydrophobicContact CD2-CE1 4.24Å; L145-Y164 HydrophobicContact CD2-CE2 3.8Å; L145-Y164 VanDerWaalsContact CD2-OH 3.3Å; L145-Y164 WeakPolarHBondContact CD2-OH 3.13Å
146	T	82.6	Confident	84.9	Confident	20 Å²	20	51.1 Å²	51.1	12%	0.123	28%	0.276	C	S	.	.			trans	-120	127.1	176.7	52.9	0	0	0	0	110.4	L139 I140 T143 L144 G163 K167	L139-T146 HydrophobicContact CD1-CG2 3.86Å; L139-T146 HydrophobicContact CG-CG2 4Å; L139-T146 PolarHBondContact O-OG1 3.06Å; I140-T146 WeakPolarHBondContact CA-OG1 3.37Å; T143-T146 HydrophobicContact CG2-CG2 4.29Å; T143-T146 WeakPolarHBondContact O-CG2 3.3Å; T143-T146 PolarHBondContact O-OG1 2.93Å; L144-T146 VanDerWaalsContact C-N 3.35Å; L144-T146 PolarHBondContact O-N 3.15Å; T146-G163 PolarHBondContact N-O 2.89Å; T146-G163 WeakPolarHBondContact O-CA 3.28Å; T146-K167 PolarHBondContact O-NZ 3.45Å; T146-K167 WeakPolarHBondContact OG1-CE 3.18Å; T146-K167 PolarHBondContact OG1-NZ 2.9Å
147	S	82	Confident	84.5	Confident	37 Å²	37	50.8 Å²	50.8	26%	0.259	28%	0.275	S	S	.	.			trans	-159.7	148.7	-175.4	-168.9	0	0	0	0	111.7	N149	S147-N149 PolarHBondContact OG-N 3.2Å; S147-N149 VanDerWaalsContact OG-N 3.08Å
148	S	79.4	Confident	83.9	Confident	62 Å²	62	51.3 Å²	51.3	43%	0.434	28%	0.278	S	S	.	.	S	Bend	trans	-81.5	-5	166	59.1	0	0	0	0	113.2	R97 K156	R97-S148 PolarHBondContact NH2-OG 2.85Å; S148-K156 PolarHBondContact O-NZ 2.97Å
149	N	76.4	Confident	83	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.032	27%	0.272	C	S	.	.			trans	-112.5	22.3	-166.6	-60.3	-15.9	0	0	0	112.8	S147 K156 T158 G160	S147-N149 PolarHBondContact OG-N 3.2Å; S147-N149 VanDerWaalsContact OG-N 3.08Å; N149-K156 HydrophobicContact CB-CD 4.33Å; N149-K156 WeakPolarHBondContact OD1-CD 3.28Å; N149-T158 PolarHBondContact ND2-OG1 3.43Å; N149-G160 PolarHBondContact ND2-O 2.87Å
150	Y	77	Confident	82.1	Confident	113 Å²	113	50.1 Å²	50.1	44%	0.443	27%	0.273	S	S	.	.			trans	-79.8	-24.8	175.7	-71.8	-37.2	0	0	0	114.2	L145 D152 N162	L145-Y150 WeakPolarHBondContact CA-OH 3.26Å; L145-Y150 WeakPolarHBondContact O-CE2 3.4Å; L145-Y150 PolarHBondContact O-OH 2.98Å; Y150-D152 PolarHBondContact O-N 3.41Å; Y150-N162 PolarHBondContact OH-O 3.41Å; Y150-N162 VanDerWaalsContact OH-O 3.12Å
151	D	79.9	Confident	81.2	Confident	87 Å²	87	49.4 Å²	49.4	47%	0.465	27%	0.267	S	S	.	.			trans	-79.8	99.6	170.9	-173.3	1.5	0	0	0	110.2	S153	D151-S153 VanDerWaalsContact C-N 3.29Å; D151-S153 WeakPolarHBondContact OD1-CB 3.28Å; D151-S153 PolarHBondContact OD1-N 2.85Å; D151-S153 PolarHBondContact OD1-OG 3.25Å; D151-S153 PolarHBondContact OD2-OG 2.97Å
152	D	75.8	Confident	80.3	Confident	78 Å²	78	52.2 Å²	52.2	42%	0.417	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5	177	-87.4	-14.5	0	0	0	113.8	Y150 R161 N370	Y150-D152 PolarHBondContact O-N 3.41Å; D152-R161 VanDerWaalsContact CG-NH2 3.31Å; D152-R161 IonicContact OD1-CZ 2.8Å; D152-R161 IonicContact OD1-NH1 2.7Å; D152-R161 PolarHBondContact OD1-NH1 3.2Å; D152-R161 IonicContact OD1-NH2 2.66Å; D152-R161 PolarHBondContact OD1-NH2 3.41Å; D152-R161 IonicContact OD2-NH2 2.94Å; D152-R161 PolarHBondContact OD2-NH2 2.61Å; D152-N370 PolarHBondContact O-ND2 2.91Å
153	S	77	Confident	79.6	Confident	92 Å²	92	51.8 Å²	51.8	64%	0.643	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.6	169.3	78.1	0	0	0	0	110.5	D151	D151-S153 VanDerWaalsContact C-N 3.29Å; D151-S153 WeakPolarHBondContact OD1-CB 3.28Å; D151-S153 PolarHBondContact OD1-N 2.85Å; D151-S153 PolarHBondContact OD1-OG 3.25Å; D151-S153 PolarHBondContact OD2-OG 2.97Å
154	E	76.3	Confident	79.2	Confident	110 Å²	110	51.2 Å²	51.2	51%	0.514	27%	0.271	S	S	.	.	S	Bend	trans	-80.3	121.6	172	-158.7	-176.5	168.8	0	0	110.8	K156	E154-K156 HydrophobicContact CB-CG 4.47Å; E154-K156 HydrophobicContact CG-CG 4.31Å; E154-K156 PolarHBondContact O-N 3.38Å; E154-K156 VanDerWaalsContact O-N 3.09Å; E154-K156 WeakPolarHBondContact OE2-CE 3.47Å; E154-K156 IonicContact OE2-NZ 2.88Å; E154-K156 PolarHBondContact OE2-NZ 3.3Å
155	K	82.2	Confident	79	Confident	126 Å²	126	50.6 Å²	50.6	55%	0.548	27%	0.269	S	S	.	.			trans	-81.3	90.3	-177.9	-61.1	-57.2	176.6	-155.4	0	111.3	E369	K155-E369 HydrophobicContact CB-CB 4.38Å; K155-E369 HydrophobicContact CB-CG 3.97Å
156	K	83.9	Confident	79.1	Confident	29 Å²	29	46.9 Å²	46.9	13%	0.126	25%	0.251	C	S	.	.			trans	-94.7	140.1	-174.8	-68.2	168.2	174.1	148.8	0	111.6	S148 N149 E154 E369 N370	S148-K156 PolarHBondContact O-NZ 2.97Å; N149-K156 HydrophobicContact CB-CD 4.33Å; N149-K156 WeakPolarHBondContact OD1-CD 3.28Å; E154-K156 HydrophobicContact CB-CG 4.47Å; E154-K156 HydrophobicContact CG-CG 4.31Å; E154-K156 PolarHBondContact O-N 3.38Å; E154-K156 VanDerWaalsContact O-N 3.09Å; E154-K156 WeakPolarHBondContact OE2-CE 3.47Å; E154-K156 IonicContact OE2-NZ 2.88Å; E154-K156 PolarHBondContact OE2-NZ 3.3Å; K156-E369 WeakPolarHBondContact O-CA 3.31Å; K156-N370 PolarHBondContact N-OD1 2.92Å; K156-N370 VanDerWaalsContact N-OD1 3.16Å; K156-N370 PolarHBondContact O-N 3.38Å; K156-N370 PolarHBondContact O-OD1 2.89Å
157	V	85.9	Confident	79.5	Confident	21 Å²	21	46.3 Å²	46.3	13%	0.127	25%	0.247	C	C	.	.			trans	-104.5	37.9	173.6	-65.5	0	0	0	0	111.7	Q96 N314 L367 E369	Q96-V157 HydrophobicContact CG-CG2 4.35Å; V157-N314 VanDerWaalsContact C-CG 3.46Å; V157-N314 WeakPolarHBondContact O-CB 3.31Å; V157-N314 PolarHBondContact O-ND2 2.9Å; V157-N314 PolarHBondContact O-OD1 2.72Å; V157-L367 HydrophobicContact CB-CB 4.19Å; V157-L367 HydrophobicContact CG1-CB 4.17Å; V157-E369 HydrophobicContact CG1-CG 4.17Å
158	T	81.8	Confident	79.9	Confident	10 Å²	10	44.7 Å²	44.7	6%	0.061	24%	0.235	C	C	.	.			trans	-100.2	156.8	179	54.5	0	0	0	0	111.1	D93 Q96 N149 N314	D93-T158 HydrophobicContact CB-CG2 4.3Å; D93-T158 WeakPolarHBondContact OD1-CA 3.38Å; Q96-T158 HydrophobicContact CB-CG2 4.37Å; N149-T158 PolarHBondContact ND2-OG1 3.43Å; T158-N314 PolarHBondContact O-ND2 2.77Å; T158-N314 VanDerWaalsContact O-ND2 3.1Å
159	G	74.2	Confident	80.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-85.2	-23.6	177.4	0	0	0	0	0	114.2	D93 I316 K378	D93-G159 VanDerWaalsContact CG-N 3.29Å; D93-G159 PolarHBondContact OD1-N 3.38Å; D93-G159 PolarHBondContact OD2-N 3.2Å; G159-I316 VanDerWaalsContact CA-CD1 3.43Å; G159-K378 PolarHBondContact O-NZ 3.15Å; G159-K378 VanDerWaalsContact O-NZ 3.07Å
160	G	74.7	Confident	81.6	Confident	12 Å²	12	41.5 Å²	41.5	12%	0.124	21%	0.213	C	C	.	.			trans	-69.1	124.8	169.8	0	0	0	0	0	111.9	D93 N149	D93-G160 PolarHBondContact OD2-N 3.34Å; N149-G160 PolarHBondContact ND2-O 2.87Å
161	R	72.8	Confident	82.4	Confident	36 Å²	36	36.1 Å²	36.1	14%	0.136	19%	0.192	C	C	.	.			trans	-127.2	-56.2	176.6	-63.7	-70	-70.4	142.1	9.9	111.6	D152 G163 N370	D152-R161 VanDerWaalsContact CG-NH2 3.31Å; D152-R161 IonicContact OD1-CZ 2.8Å; D152-R161 IonicContact OD1-NH1 2.7Å; D152-R161 PolarHBondContact OD1-NH1 3.2Å; D152-R161 IonicContact OD1-NH2 2.66Å; D152-R161 PolarHBondContact OD1-NH2 3.41Å; D152-R161 IonicContact OD2-NH2 2.94Å; D152-R161 PolarHBondContact OD2-NH2 2.61Å; R161-G163 PolarHBondContact O-N 3.44Å; R161-N370 PolarHBondContact NH1-OD1 2.98Å
162	N	74.5	Confident	83.2	Confident	76 Å²	76	32 Å²	32	41%	0.406	17%	0.17	S	C	.	.	S	Bend	trans	-89.5	-8.2	-161.9	-55.6	-23.1	0	0	0	114.9	Y150 Y164 Q376	Y150-N162 PolarHBondContact OH-O 3.41Å; Y150-N162 VanDerWaalsContact OH-O 3.12Å; N162-Y164 HydrophobicContact CB-CD2 3.77Å; N162-Y164 HydrophobicContact CB-CE2 4.35Å; N162-Y164 WeakPolarHBondContact O-CD2 3.49Å; N162-Q376 PolarHBondContact ND2-OE1 2.78Å
163	G	76	Confident	84.2	Confident	8 Å²	8	28.4 Å²	28.4	8%	0.082	15%	0.151	C	C	.	.	S	Bend	trans	75.4	24	-179.3	0	0	0	0	0	115.4	L145 T146 R161 K167	L145-G163 PolarHBondContact N-O 3.42Å; T146-G163 PolarHBondContact N-O 2.89Å; T146-G163 WeakPolarHBondContact O-CA 3.28Å; R161-G163 PolarHBondContact O-N 3.44Å; G163-K167 WeakPolarHBondContact O-CE 3.33Å; G163-K167 PolarHBondContact O-NZ 3.41Å
164	Y	79.3	Confident	85.1	Confident	45 Å²	45	32.2 Å²	32.2	18%	0.176	15%	0.151	C	C	.	.			trans	-105.5	-41.7	179.8	-77.2	-80.4	0	0	0	114.4	Q37 Y48 L144 L145 N162 A166 K167 L168	Q37-Y164 PolarHBondContact NE2-OH 2.91Å; Y48-Y164 HydrophobicContact CD1-CD1 4.5Å; Y48-Y164 HydrophobicContact CD1-CE1 4.42Å; Y48-Y164 HydrophobicContact CE1-CE1 4.19Å; L144-Y164 HydrophobicContact CD2-CD1 3.82Å; L144-Y164 HydrophobicContact CD2-CE1 4.13Å; L145-Y164 HydrophobicContact CD2-CE1 4.24Å; L145-Y164 HydrophobicContact CD2-CE2 3.8Å; L145-Y164 VanDerWaalsContact CD2-OH 3.3Å; L145-Y164 WeakPolarHBondContact CD2-OH 3.13Å; N162-Y164 HydrophobicContact CB-CD2 3.77Å; N162-Y164 HydrophobicContact CB-CE2 4.35Å; N162-Y164 WeakPolarHBondContact O-CD2 3.49Å; Y164-A166 PolarHBondContact O-N 3.04Å; Y164-K167 WeakPolarHBondContact O-CA 3.18Å; Y164-K167 WeakPolarHBondContact O-CB 3.35Å; Y164-K167 PolarHBondContact O-N 3.21Å; Y164-L168 HydrophobicContact CD1-CD2 4.46Å; Y164-L168 PolarHBondContact O-N 3.26Å
165	G	81.6	Confident	86.1	Confident	8 Å²	8	31.1 Å²	31.1	8%	0.082	14%	0.144	C	C	.	.	H	α-helix	trans	-43.7	-60.1	-160.3	0	0	0	0	0	116.5	E86 K167 L168 C169	E86-G165 VanDerWaalsContact OE2-CA 3.28Å; E86-G165 WeakPolarHBondContact OE2-CA 3.26Å; G165-K167 VanDerWaalsContact C-N 3.28Å; G165-K167 PolarHBondContact O-N 2.91Å; G165-L168 PolarHBondContact O-N 3.41Å; G165-C169 PolarHBondContact O-N 3.17Å; G165-C169 VanDerWaalsContact O-N 3.14Å
166	A	87.5	Confident	86.8	Confident	8 Å²	8	25.1 Å²	25.1	7%	0.066	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-33.7	-178.4	0	0	0	0	0	113.7	I87 F141 Y164 C169 N170	I87-A166 HydrophobicContact CD1-CB 4.14Å; F141-A166 HydrophobicContact CD1-CB 3.6Å; F141-A166 HydrophobicContact CE1-CB 3.55Å; Y164-A166 PolarHBondContact O-N 3.04Å; A166-C169 PolarHBondContact O-N 3.49Å; A166-N170 PolarHBondContact O-N 2.86Å; A166-N170 VanDerWaalsContact O-N 3.12Å
167	K	91.3	Very high	87.5	Confident	9 Å²	9	24.4 Å²	24.4	4%	0.039	12%	0.117	C	C	.	.	H	α-helix	trans	-73.6	-36.9	177.1	-76.5	73.6	60.1	167.2	0	111.7	I140 T143 L144 T146 G163 Y164 G165 C169 N170 I171 M197	I140-K167 WeakPolarHBondContact O-CD 3.37Å; I140-K167 PolarHBondContact O-NZ 2.99Å; T143-K167 VanDerWaalsContact O-CD 3.28Å; T143-K167 WeakPolarHBondContact O-CD 3.46Å; T143-K167 WeakPolarHBondContact O-CE 3.49Å; T143-K167 WeakPolarHBondContact O-CG 3.31Å; L144-K167 HydrophobicContact CD2-CB 3.72Å; L144-K167 HydrophobicContact CD2-CG 4.36Å; T146-K167 PolarHBondContact O-NZ 3.45Å; T146-K167 WeakPolarHBondContact OG1-CE 3.18Å; T146-K167 PolarHBondContact OG1-NZ 2.9Å; G163-K167 WeakPolarHBondContact O-CE 3.33Å; G163-K167 PolarHBondContact O-NZ 3.41Å; Y164-K167 WeakPolarHBondContact O-CA 3.18Å; Y164-K167 WeakPolarHBondContact O-CB 3.35Å; Y164-K167 PolarHBondContact O-N 3.21Å; G165-K167 VanDerWaalsContact C-N 3.28Å; G165-K167 PolarHBondContact O-N 2.91Å; K167-C169 VanDerWaalsContact C-N 3.27Å; K167-C169 PolarHBondContact O-N 2.92Å; K167-N170 CarbonylContact O-C 3Å; K167-N170 WeakPolarHBondContact O-CB 3.19Å; K167-N170 PolarHBondContact O-N 2.85Å; K167-N170 VanDerWaalsContact O-N 3.13Å; K167-I171 WeakPolarHBondContact O-CB 3.49Å; K167-I171 VanDerWaalsContact O-CG1 3.28Å; K167-I171 WeakPolarHBondContact O-CG1 3.38Å; K167-I171 PolarHBondContact O-N 2.75Å; K167-M197 HydrophobicContact CB-SD 4.3Å; K167-M197 HydrophobicContact CG-SD 4.21Å
168	L	90.9	Very high	88	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-40.3	174.6	-65.9	177.2	0	0	0	110.6	V41 Y48 I49 Y164 G165 N170 I171 F172	V41-L168 HydrophobicContact CG1-CD2 3.74Å; V41-L168 HydrophobicContact CG2-CD2 4.45Å; Y48-L168 HydrophobicContact CD1-CD2 4.25Å; Y48-L168 HydrophobicContact CG-CD2 4.29Å; Y48-L168 WeakPolarHBondContact O-CD1 3.38Å; I49-L168 HydrophobicContact CG2-CB 3.82Å; I49-L168 HydrophobicContact CG2-CD1 3.87Å; I49-L168 HydrophobicContact CG2-CG 4.27Å; Y164-L168 HydrophobicContact CD1-CD2 4.46Å; Y164-L168 PolarHBondContact O-N 3.26Å; G165-L168 PolarHBondContact O-N 3.41Å; L168-N170 VanDerWaalsContact C-N 3.35Å; L168-N170 PolarHBondContact O-N 2.88Å; L168-I171 PolarHBondContact O-N 3.18Å; L168-F172 WeakPolarHBondContact O-CD2 3.4Å; L168-F172 PolarHBondContact O-N 3.25Å
169	C	94.8	Very high	88.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-45	171.6	-172	0	0	0	0	112	I83 I87 G165 A166 K167 F172 S173 F176 F218	I83-C169 HydrophobicContact CB-CB 4.08Å; I87-C169 HydrophobicContact CD1-CB 3.82Å; I87-C169 HydrophobicContact CG1-CB 3.89Å; G165-C169 PolarHBondContact O-N 3.17Å; G165-C169 VanDerWaalsContact O-N 3.14Å; A166-C169 PolarHBondContact O-N 3.49Å; K167-C169 VanDerWaalsContact C-N 3.27Å; K167-C169 PolarHBondContact O-N 2.92Å; C169-F172 CarbonylContact O-C 3.5Å; C169-F172 PolarHBondContact O-N 2.76Å; C169-S173 VanDerWaalsContact O-CB 3.31Å; C169-S173 WeakPolarHBondContact O-CB 3.44Å; C169-S173 PolarHBondContact O-N 3.48Å; C169-S173 PolarHBondContact O-OG 2.78Å; C169-F176 HydrophobicContact CB-CE2 4.08Å; C169-F218 VanDerWaalsContact SG-CD2 3.54Å; C169-F218 VanDerWaalsContact SG-CG 3.58Å
170	N	95.6	Very high	89.8	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-47.9	176.2	-164.9	-8	0	0	0	112.5	F141 A166 K167 L168 F172 S173 F176 W193 M197	F141-N170 PolarHBondContact O-ND2 3.43Å; A166-N170 PolarHBondContact O-N 2.86Å; A166-N170 VanDerWaalsContact O-N 3.12Å; K167-N170 CarbonylContact O-C 3Å; K167-N170 WeakPolarHBondContact O-CB 3.19Å; K167-N170 PolarHBondContact O-N 2.85Å; K167-N170 VanDerWaalsContact O-N 3.13Å; L168-N170 VanDerWaalsContact C-N 3.35Å; L168-N170 PolarHBondContact O-N 2.88Å; N170-F172 VanDerWaalsContact C-N 3.3Å; N170-F172 PolarHBondContact O-N 3.42Å; N170-S173 PolarHBondContact O-N 3.2Å; N170-F176 HydrophobicContact CB-CB 4.23Å; N170-F176 HydrophobicContact CB-CD1 3.96Å; N170-F176 HydrophobicContact CB-CD2 4Å; N170-F176 HydrophobicContact CB-CE1 4.29Å; N170-F176 HydrophobicContact CB-CE2 4.36Å; N170-F176 HydrophobicContact CB-CG 3.8Å; N170-F176 HydrophobicContact CB-CZ 4.5Å; N170-F176 VanDerWaalsContact OD1-CB 3.25Å; N170-F176 WeakPolarHBondContact OD1-CB 3.4Å; N170-W193 VanDerWaalsContact ND2-CG 3.33Å; N170-W193 VanDerWaalsContact OD1-CB 3.29Å; N170-W193 WeakPolarHBondContact OD1-CB 3.39Å; N170-M197 HydrophobicContact CB-CB 4.42Å; N170-M197 HydrophobicContact CB-CG 4.33Å; N170-M197 HydrophobicContact CB-SD 4.02Å; N170-M197 WeakPolarHBondContact ND2-CG 3.38Å
171	I	94.9	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.9	-38.6	178.2	-69.2	166.4	0	0	0	111.6	V41 L42 L144 K167 L168 S173 N196 M197	V41-I171 HydrophobicContact CG1-CD1 4.18Å; V41-I171 HydrophobicContact CG1-CG2 3.91Å; L42-I171 HydrophobicContact CD2-CG2 3.55Å; L42-I171 HydrophobicContact CG-CG2 3.86Å; L144-I171 HydrophobicContact CD1-CD1 4.19Å; L144-I171 HydrophobicContact CD2-CD1 3.83Å; L144-I171 HydrophobicContact CG-CD1 4.22Å; K167-I171 WeakPolarHBondContact O-CB 3.49Å; K167-I171 VanDerWaalsContact O-CG1 3.28Å; K167-I171 WeakPolarHBondContact O-CG1 3.38Å; K167-I171 PolarHBondContact O-N 2.75Å; L168-I171 PolarHBondContact O-N 3.18Å; I171-S173 VanDerWaalsContact C-N 3.29Å; I171-S173 PolarHBondContact O-N 3.11Å; I171-N196 VanDerWaalsContact O-CA 3.23Å; I171-N196 WeakPolarHBondContact O-CA 3.49Å; I171-N196 WeakPolarHBondContact O-CB 3.48Å; I171-N196 PolarHBondContact O-ND2 3.48Å; I171-M197 HydrophobicContact CD1-CE 3.94Å; I171-M197 HydrophobicContact CG1-CB 4.09Å; I171-M197 HydrophobicContact CG1-CE 3.75Å; I171-M197 HydrophobicContact CG1-SD 4.04Å
172	F	95.7	Very high	91.6	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	19	178.2	-74.8	-85.3	0	0	0	113.8	V41 L42 P45 I49 I83 L168 C169 N170 D221 K224 F225	V41-F172 HydrophobicContact CG1-CE2 3.66Å; V41-F172 HydrophobicContact CG1-CZ 4.24Å; L42-F172 HydrophobicContact CD2-CE1 4.21Å; L42-F172 HydrophobicContact CD2-CZ 4.22Å; P45-F172 HydrophobicContact CB-CE1 4.05Å; P45-F172 HydrophobicContact CB-CZ 3.64Å; I49-F172 HydrophobicContact CD1-CD1 3.8Å; I49-F172 HydrophobicContact CD1-CD2 3.65Å; I49-F172 HydrophobicContact CD1-CE1 3.75Å; I49-F172 HydrophobicContact CD1-CE2 3.58Å; I49-F172 HydrophobicContact CD1-CG 3.77Å; I49-F172 HydrophobicContact CD1-CZ 3.67Å; I49-F172 HydrophobicContact CG1-CD2 4.49Å; I49-F172 HydrophobicContact CG1-CE2 4.12Å; I49-F172 HydrophobicContact CG1-CZ 4.3Å; I49-F172 HydrophobicContact CG2-CD2 4.27Å; I49-F172 HydrophobicContact CG2-CE2 4.28Å; I83-F172 HydrophobicContact CD1-CB 4.11Å; I83-F172 HydrophobicContact CG2-CB 4.2Å; L168-F172 WeakPolarHBondContact O-CD2 3.4Å; L168-F172 PolarHBondContact O-N 3.25Å; C169-F172 CarbonylContact O-C 3.5Å; C169-F172 PolarHBondContact O-N 2.76Å; N170-F172 VanDerWaalsContact C-N 3.3Å; N170-F172 PolarHBondContact O-N 3.42Å; F172-D221 PolarHBondContact O-N 2.68Å; F172-K224 HydrophobicContact CD1-CD 4.23Å; F172-K224 HydrophobicContact CE1-CD 4.4Å; F172-F225 HydrophobicContact CB-CE2 4.2Å; F172-F225 HydrophobicContact CB-CZ 3.8Å; F172-F225 HydrophobicContact CD1-CE1 4.18Å; F172-F225 HydrophobicContact CD1-CE2 4.4Å; F172-F225 AromaticContact CD1-CZ 3.76Å; F172-F225 HydrophobicContact CD1-CZ 3.76Å; F172-F225 HydrophobicContact CG-CZ 4.02Å
173	S	96.5	Very high	92.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.6	175.9	-64.1	0	0	0	0	111.5	C169 N170 I171 K175 N196 I219	C169-S173 VanDerWaalsContact O-CB 3.31Å; C169-S173 WeakPolarHBondContact O-CB 3.44Å; C169-S173 PolarHBondContact O-N 3.48Å; C169-S173 PolarHBondContact O-OG 2.78Å; N170-S173 PolarHBondContact O-N 3.2Å; I171-S173 VanDerWaalsContact C-N 3.29Å; I171-S173 PolarHBondContact O-N 3.11Å; S173-K175 VanDerWaalsContact C-N 3.32Å; S173-N196 PolarHBondContact O-N 3.41Å; S173-I219 CarbonylContact C-O 3.52Å; S173-I219 VanDerWaalsContact CA-O 3.3Å; S173-I219 WeakPolarHBondContact CA-O 3.14Å; S173-I219 WeakPolarHBondContact CB-O 3.12Å
174	R	96.1	Very high	92.8	Very high	173 Å²	173	33.1 Å²	33.1	65%	0.653	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	-33.4	169.2	-172.4	176.4	179.9	-177.9	0.4	111.1	E194 D195 I219	R174-E194 VanDerWaalsContact O-CA 3.31Å; R174-E194 WeakPolarHBondContact O-CA 3.5Å; R174-D195 PolarHBondContact O-N 2.67Å; R174-D195 VanDerWaalsContact O-N 3.11Å; R174-I219 PolarHBondContact N-O 3.05Å
175	K	97.5	Very high	93.3	Very high	86 Å²	86	35.1 Å²	35.1	37%	0.374	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	132.1	177.3	-170.9	172.1	-171.4	167.4	0	109.7	S173 T192 W193 E194 F218 I219	S173-K175 VanDerWaalsContact C-N 3.32Å; K175-T192 HydrophobicContact CD-CG2 4.47Å; K175-T192 HydrophobicContact CG-CG2 3.88Å; K175-W193 CarbonylContact C-O 3.6Å; K175-W193 WeakPolarHBondContact CA-O 3.32Å; K175-E194 HydrophobicContact CG-CG 4.39Å; K175-F218 CarbonylContact O-C 3.5Å; K175-F218 VanDerWaalsContact O-CA 3.25Å; K175-F218 WeakPolarHBondContact O-CA 3.3Å; K175-I219 HydrophobicContact CB-CB 4.36Å; K175-I219 HydrophobicContact CB-CD1 4.26Å; K175-I219 HydrophobicContact CB-CG1 4.44Å; K175-I219 HydrophobicContact CD-CD1 4.4Å; K175-I219 PolarHBondContact O-N 3.17Å
176	F	98	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120.4	179.7	-175	-89	0	0	0	109.3	I87 F141 C169 N170 V178 T192 W193 V216 K217 F218	I87-F176 HydrophobicContact CD1-CE2 4.19Å; I87-F176 HydrophobicContact CD1-CZ 4.31Å; F141-F176 HydrophobicContact CB-CE1 4.19Å; F141-F176 AromaticContact CD1-CE1 3.59Å; F141-F176 HydrophobicContact CD1-CE1 3.59Å; F141-F176 AromaticContact CD1-CZ 3.64Å; F141-F176 HydrophobicContact CD1-CZ 3.64Å; F141-F176 HydrophobicContact CE1-CE1 4.36Å; F141-F176 HydrophobicContact CE1-CZ 4.08Å; F141-F176 HydrophobicContact CG-CE1 4.22Å; C169-F176 HydrophobicContact CB-CE2 4.08Å; N170-F176 HydrophobicContact CB-CB 4.23Å; N170-F176 HydrophobicContact CB-CD1 3.96Å; N170-F176 HydrophobicContact CB-CD2 4Å; N170-F176 HydrophobicContact CB-CE1 4.29Å; N170-F176 HydrophobicContact CB-CE2 4.36Å; N170-F176 HydrophobicContact CB-CG 3.8Å; N170-F176 HydrophobicContact CB-CZ 4.5Å; N170-F176 VanDerWaalsContact OD1-CB 3.25Å; N170-F176 WeakPolarHBondContact OD1-CB 3.4Å; F176-V178 HydrophobicContact CD1-CG2 4.1Å; F176-V178 HydrophobicContact CE1-CG2 3.4Å; F176-V178 VanDerWaalsContact CE1-CG2 3.4Å; F176-V178 HydrophobicContact CZ-CG2 4.2Å; F176-T192 CarbonylContact O-C 3.59Å; F176-T192 WeakPolarHBondContact O-CA 3.08Å; F176-W193 HydrophobicContact CB-CB 4.42Å; F176-W193 AromaticContact CD1-CE3 3.96Å; F176-W193 HydrophobicContact CD1-CE3 3.96Å; F176-W193 HydrophobicContact CD1-CZ3 4.46Å; F176-W193 PolarHBondContact N-O 3.28Å; F176-W193 PolarHBondContact O-N 3.18Å; F176-V216 HydrophobicContact CD2-CG1 4.39Å; F176-V216 HydrophobicContact CE1-CG1 4.23Å; F176-V216 HydrophobicContact CE2-CG1 3.46Å; F176-V216 VanDerWaalsContact CE2-CG1 3.46Å; F176-V216 HydrophobicContact CZ-CG1 3.35Å; F176-K217 CarbonylContact C-O 3.55Å; F176-K217 WeakPolarHBondContact CA-O 3.43Å; F176-F218 HydrophobicContact CD2-CB 3.64Å; F176-F218 HydrophobicContact CD2-CG 4.49Å; F176-F218 HydrophobicContact CE2-CB 4.27Å; F176-F218 HydrophobicContact CG-CB 4.5Å
177	T	97.9	Very high	94	Very high	15 Å²	15	39.4 Å²	39.4	9%	0.092	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.8	-176.5	-58.7	0	0	0	0	110.4	K190 Q191 T192 V216 K217	T177-K190 HydrophobicContact CG2-CG 4.26Å; T177-Q191 WeakPolarHBondContact CA-O 3.06Å; T177-T192 WeakPolarHBondContact CG2-OG1 3.43Å; T177-T192 WeakPolarHBondContact OG1-CG2 3.37Å; T177-T192 PolarHBondContact OG1-OG1 3.45Å; T177-V216 WeakPolarHBondContact O-CA 3.35Å; T177-K217 PolarHBondContact N-O 3.42Å; T177-K217 PolarHBondContact O-N 3.05Å
178	V	97.3	Very high	94.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.8	173.1	-179.2	0	0	0	0	108.7	I124 F141 F176 K190 Q191 W193	I124-V178 HydrophobicContact CD1-CG1 4.26Å; F141-V178 HydrophobicContact CB-CG2 4.06Å; F141-V178 HydrophobicContact CD1-CG2 3.73Å; F141-V178 HydrophobicContact CD2-CG1 4.11Å; F141-V178 HydrophobicContact CD2-CG2 3.91Å; F141-V178 HydrophobicContact CE1-CG2 4.1Å; F141-V178 HydrophobicContact CE2-CG1 4.03Å; F141-V178 HydrophobicContact CE2-CG2 4.31Å; F141-V178 HydrophobicContact CG-CG2 3.63Å; F141-V178 HydrophobicContact CZ-CG1 4.45Å; F141-V178 HydrophobicContact CZ-CG2 4.38Å; F176-V178 HydrophobicContact CD1-CG2 4.1Å; F176-V178 HydrophobicContact CE1-CG2 3.4Å; F176-V178 VanDerWaalsContact CE1-CG2 3.4Å; F176-V178 HydrophobicContact CZ-CG2 4.2Å; V178-K190 VanDerWaalsContact O-CA 3.29Å; V178-K190 WeakPolarHBondContact O-CA 3.35Å; V178-Q191 PolarHBondContact N-O 3.22Å; V178-Q191 PolarHBondContact O-N 3.21Å; V178-W193 HydrophobicContact CB-CZ3 4.33Å; V178-W193 HydrophobicContact CG2-CZ3 3.97Å
179	E	96.4	Very high	94.5	Very high	40 Å²	40	40.1 Å²	40.1	19%	0.187	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.4	176.4	-176.4	178	178.1	0	0	108.6	F188 F189 Y213 T214 C215	E179-F188 HydrophobicContact CG-CD2 4.48Å; E179-F188 HydrophobicContact CG-CE2 3.39Å; E179-F188 HydrophobicContact CG-CZ 3.62Å; E179-F188 VanDerWaalsContact OE1-CE2 3.31Å; E179-F188 WeakPolarHBondContact OE1-CE2 3.34Å; E179-F189 CarbonylContact C-O 3.55Å; E179-F189 VanDerWaalsContact CA-O 3.32Å; E179-F189 WeakPolarHBondContact CA-O 3.24Å; E179-Y213 HydrophobicContact CG-CE2 3.98Å; E179-Y213 PolarHBondContact OE1-OH 2.62Å; E179-T214 CarbonylContact O-C 3.47Å; E179-C215 HydrophobicContact CB-CB 4.21Å; E179-C215 PolarHBondContact N-O 2.59Å; E179-C215 PolarHBondContact O-N 3.11Å
180	T	96.2	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	143.1	-180	-173.2	0	0	0	0	111.5	I124 V126 P137 F188 F189 Y213 T214	I124-T180 HydrophobicContact CB-CG2 4.14Å; I124-T180 HydrophobicContact CD1-CG2 4.26Å; I124-T180 PolarHBondContact N-OG1 3.49Å; I124-T180 VanDerWaalsContact N-OG1 3.07Å; V126-T180 HydrophobicContact CG2-CG2 4.09Å; P137-T180 HydrophobicContact CG-CG2 4.33Å; T180-F188 WeakPolarHBondContact O-CA 3.5Å; T180-F189 HydrophobicContact CG2-CB 3.86Å; T180-F189 HydrophobicContact CG2-CD1 4.36Å; T180-F189 HydrophobicContact CG2-CG 4.48Å; T180-F189 PolarHBondContact N-O 3.11Å; T180-F189 PolarHBondContact O-N 3.14Å; T180-Y213 VanDerWaalsContact CA-O 3.27Å; T180-Y213 WeakPolarHBondContact CA-O 3.33Å; T180-Y213 WeakPolarHBondContact CB-O 3.32Å; T180-Y213 PolarHBondContact OG1-O 3.49Å; T180-T214 PolarHBondContact OG1-OG1 2.91Å
181	S	94.2	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.7	168.5	-175.7	0	0	0	0	108	Q210 A211 D212 Y213	S181-Q210 PolarHBondContact OG-O 3.5Å; S181-A211 WeakPolarHBondContact CB-O 3.46Å; S181-A211 PolarHBondContact OG-O 3.17Å; S181-D212 WeakPolarHBondContact O-CA 3.48Å; S181-Y213 PolarHBondContact N-O 3.13Å; S181-Y213 VanDerWaalsContact N-O 3.11Å; S181-Y213 PolarHBondContact O-N 3.11Å
182	C	91	Very high	94.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	104.7	177.7	-165.6	0	0	0	0	110.5	I124 V126 E184 Y185 G186 K187 D212	I124-C182 WeakPolarHBondContact O-CB 3.49Å; V126-C182 HydrophobicContact CG2-CB 4.11Å; C182-E184 VanDerWaalsContact C-N 3.32Å; C182-E184 PolarHBondContact O-N 3.47Å; C182-Y185 HydrophobicContact CB-CD2 4.45Å; C182-Y185 CarbonylContact O-C 3.49Å; C182-Y185 PolarHBondContact O-N 3.36Å; C182-Y185 VanDerWaalsContact O-N 3.14Å; C182-G186 PolarHBondContact O-N 3.46Å; C182-K187 PolarHBondContact N-O 2.86Å; C182-K187 PolarHBondContact O-N 3.4Å; C182-D212 VanDerWaalsContact CA-OD1 3.27Å; C182-D212 WeakPolarHBondContact CA-OD1 3.24Å
183	R	87.9	Confident	94.9	Very high	187 Å²	187	45.9 Å²	45.9	71%	0.706	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.5	-33.9	-177.3	-170.9	177.1	-178	-176.9	1.4	112.3	Y185 G186 D212	R183-Y185 PolarHBondContact O-N 2.89Å; R183-G186 PolarHBondContact O-N 2.85Å; R183-G186 VanDerWaalsContact O-N 3.16Å; R183-D212 WeakPolarHBondContact CB-OD1 3.49Å; R183-D212 PolarHBondContact N-OD1 2.85Å
184	E	87.9	Confident	94.9	Very high	119 Å²	119	50 Å²	50	56%	0.556	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-55.6	-37.3	173.5	-174.4	-175.3	145.8	0	0	111.6	C182	C182-E184 VanDerWaalsContact C-N 3.32Å; C182-E184 PolarHBondContact O-N 3.47Å
185	Y	89.9	Confident	94.8	Very high	87 Å²	87	44.5 Å²	44.5	34%	0.341	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-103.1	-1	179.5	-63.8	-89.8	0	0	0	113.2	P125 V127 C182 R183 K187	P125-Y185 HydrophobicContact CB-CD2 4.13Å; P125-Y185 HydrophobicContact CB-CE2 3.59Å; P125-Y185 HydrophobicContact CG-CE2 4.17Å; V127-Y185 HydrophobicContact CB-CD1 3.88Å; V127-Y185 HydrophobicContact CB-CE1 3.74Å; V127-Y185 HydrophobicContact CG1-CD1 4.46Å; V127-Y185 HydrophobicContact CG1-CE1 3.92Å; V127-Y185 HydrophobicContact CG2-CD1 4.44Å; V127-Y185 HydrophobicContact CG2-CE1 4.16Å; C182-Y185 HydrophobicContact CB-CD2 4.45Å; C182-Y185 CarbonylContact O-C 3.49Å; C182-Y185 PolarHBondContact O-N 3.36Å; C182-Y185 VanDerWaalsContact O-N 3.14Å; R183-Y185 PolarHBondContact O-N 2.89Å; Y185-K187 WeakPolarHBondContact O-CG 3.47Å; Y185-K187 PolarHBondContact O-N 2.88Å
186	G	90.3	Very high	94.6	Very high	30 Å²	30	41.5 Å²	41.5	31%	0.309	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	31.5	-178.9	0	0	0	0	0	114.1	C182 R183 S207 C208	C182-G186 PolarHBondContact O-N 3.46Å; R183-G186 PolarHBondContact O-N 2.85Å; R183-G186 VanDerWaalsContact O-N 3.16Å; G186-S207 CarbonylContact O-C 3.51Å; G186-S207 WeakPolarHBondContact O-CA 3.44Å; G186-C208 CarbonylContact C-O 3.58Å; G186-C208 VanDerWaalsContact C-O 3.27Å; G186-C208 PolarHBondContact O-N 3.23Å
187	K	93.8	Very high	94.4	Very high	75 Å²	75	42.5 Å²	42.5	33%	0.326	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143	-170	-77.6	174.1	-174.7	-176.5	0	112.6	V126 C182 Y185 V205 V206	V126-K187 HydrophobicContact CB-CB 3.79Å; V126-K187 HydrophobicContact CG1-CB 3.79Å; V126-K187 HydrophobicContact CG1-CD 4.21Å; V126-K187 HydrophobicContact CG2-CB 4.42Å; C182-K187 PolarHBondContact N-O 2.86Å; C182-K187 PolarHBondContact O-N 3.4Å; Y185-K187 WeakPolarHBondContact O-CG 3.47Å; Y185-K187 PolarHBondContact O-N 2.88Å; K187-V205 HydrophobicContact CB-CG1 4.45Å; K187-V205 HydrophobicContact CD-CG1 3.96Å; K187-V205 HydrophobicContact CG-CG1 4.33Å; K187-V206 CarbonylContact C-O 3.59Å; K187-V206 WeakPolarHBondContact CA-O 3.48Å
188	F	95.3	Very high	94.1	Very high	27 Å²	27	48.1 Å²	48.1	12%	0.118	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.9	165.6	169.1	-88.8	0	0	0	109.3	E179 T180 K190 V205 V206 C208 Y213	E179-F188 HydrophobicContact CG-CD2 4.48Å; E179-F188 HydrophobicContact CG-CE2 3.39Å; E179-F188 HydrophobicContact CG-CZ 3.62Å; E179-F188 VanDerWaalsContact OE1-CE2 3.31Å; E179-F188 WeakPolarHBondContact OE1-CE2 3.34Å; T180-F188 WeakPolarHBondContact O-CA 3.5Å; F188-K190 HydrophobicContact CE1-CB 3.62Å; F188-K190 HydrophobicContact CZ-CB 3.82Å; F188-K190 HydrophobicContact CZ-CD 4.44Å; F188-V205 WeakPolarHBondContact O-CA 3.3Å; F188-V206 HydrophobicContact CB-CG2 3.83Å; F188-V206 HydrophobicContact CD1-CG2 3.8Å; F188-V206 HydrophobicContact CG-CG2 4.18Å; F188-V206 PolarHBondContact N-O 3.41Å; F188-V206 PolarHBondContact O-N 2.81Å; F188-V206 VanDerWaalsContact O-N 3.14Å; F188-C208 HydrophobicContact CB-CB 3.56Å; F188-Y213 WeakPolarHBondContact CE2-OH 3.4Å
189	F	96.7	Very high	93.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.4	175.5	176.5	-81.1	0	0	0	110.2	V126 Y135 P137 T138 E179 T180 Q191 P203 T204 V205	V126-F189 HydrophobicContact CB-CB 4.4Å; V126-F189 HydrophobicContact CG1-CB 3.78Å; V126-F189 HydrophobicContact CG1-CD2 4.18Å; V126-F189 HydrophobicContact CG1-CG 4.45Å; V126-F189 HydrophobicContact CG2-CB 3.66Å; Y135-F189 HydrophobicContact CD2-CE2 4.39Å; Y135-F189 HydrophobicContact CG-CD2 4.49Å; Y135-F189 HydrophobicContact CG-CE2 4.19Å; P137-F189 HydrophobicContact CB-CD1 3.6Å; P137-F189 HydrophobicContact CB-CD2 4.22Å; P137-F189 HydrophobicContact CB-CE1 3.41Å; P137-F189 VanDerWaalsContact CB-CE1 3.41Å; P137-F189 HydrophobicContact CB-CE2 4.03Å; P137-F189 HydrophobicContact CB-CG 4.03Å; P137-F189 HydrophobicContact CB-CZ 3.63Å; P137-F189 HydrophobicContact CG-CB 4.48Å; P137-F189 HydrophobicContact CG-CD1 3.98Å; P137-F189 HydrophobicContact CG-CD2 4.07Å; P137-F189 HydrophobicContact CG-CE1 4.22Å; P137-F189 HydrophobicContact CG-CE2 4.28Å; P137-F189 HydrophobicContact CG-CG 3.92Å; P137-F189 HydrophobicContact CG-CZ 4.36Å; T138-F189 WeakPolarHBondContact OG1-CZ 3.31Å; E179-F189 CarbonylContact C-O 3.55Å; E179-F189 VanDerWaalsContact CA-O 3.32Å; E179-F189 WeakPolarHBondContact CA-O 3.24Å; T180-F189 HydrophobicContact CG2-CB 3.86Å; T180-F189 HydrophobicContact CG2-CD1 4.36Å; T180-F189 HydrophobicContact CG2-CG 4.48Å; T180-F189 PolarHBondContact N-O 3.11Å; T180-F189 PolarHBondContact O-N 3.14Å; F189-Q191 HydrophobicContact CE1-CB 3.49Å; F189-Q191 VanDerWaalsContact CE1-CB 3.49Å; F189-Q191 HydrophobicContact CZ-CB 3.5Å; F189-Q191 HydrophobicContact CZ-CG 4.44Å; F189-P203 HydrophobicContact CD2-CB 4.19Å; F189-P203 HydrophobicContact CE2-CB 3.36Å; F189-P203 HydrophobicContact CE2-CG 4.42Å; F189-P203 HydrophobicContact CZ-CB 3.75Å; F189-T204 CarbonylContact C-O 3.51Å; F189-T204 WeakPolarHBondContact CA-O 3.39Å; F189-V205 HydrophobicContact CD2-CG2 3.82Å; F189-V205 HydrophobicContact CE2-CG2 4.41Å
190	K	97.3	Very high	93.6	Very high	86 Å²	86	54.8 Å²	54.8	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.3	167	-177.6	178	178.5	180	0	111	T177 V178 F188 T204	T177-K190 HydrophobicContact CG2-CG 4.26Å; V178-K190 VanDerWaalsContact O-CA 3.29Å; V178-K190 WeakPolarHBondContact O-CA 3.35Å; F188-K190 HydrophobicContact CE1-CB 3.62Å; F188-K190 HydrophobicContact CZ-CB 3.82Å; F188-K190 HydrophobicContact CZ-CD 4.44Å; K190-T204 PolarHBondContact N-O 3.22Å; K190-T204 PolarHBondContact O-N 3.01Å
191	Q	97.3	Very high	93.5	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.033	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144.2	171.8	-170.3	173.1	19.1	0	0	110.8	T138 T177 V178 F189 W193 S201 P203	T138-Q191 VanDerWaalsContact CB-OE1 3.29Å; T138-Q191 PolarHBondContact OG1-OE1 2.81Å; T177-Q191 WeakPolarHBondContact CA-O 3.06Å; V178-Q191 PolarHBondContact N-O 3.22Å; V178-Q191 PolarHBondContact O-N 3.21Å; F189-Q191 HydrophobicContact CE1-CB 3.49Å; F189-Q191 VanDerWaalsContact CE1-CB 3.49Å; F189-Q191 HydrophobicContact CZ-CB 3.5Å; F189-Q191 HydrophobicContact CZ-CG 4.44Å; Q191-W193 HydrophobicContact CB-CH2 3.97Å; Q191-W193 HydrophobicContact CB-CZ3 3.91Å; Q191-W193 HydrophobicContact CG-CE3 4.35Å; Q191-W193 HydrophobicContact CG-CH2 3.88Å; Q191-W193 HydrophobicContact CG-CZ2 4.16Å; Q191-W193 HydrophobicContact CG-CZ3 3.97Å; Q191-W193 VanDerWaalsContact OE1-CZ2 3.3Å; Q191-S201 WeakPolarHBondContact CG-O 3.35Å; Q191-S201 PolarHBondContact NE2-O 3.3Å; Q191-P203 HydrophobicContact CB-CB 4.39Å
192	T	97.4	Very high	93.5	Very high	23 Å²	23	64.2 Å²	64.2	14%	0.141	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.1	179	-62.3	0	0	0	0	110.3	K175 F176 T177 E194 S201	K175-T192 HydrophobicContact CD-CG2 4.47Å; K175-T192 HydrophobicContact CG-CG2 3.88Å; F176-T192 CarbonylContact O-C 3.59Å; F176-T192 WeakPolarHBondContact O-CA 3.08Å; T177-T192 WeakPolarHBondContact CG2-OG1 3.43Å; T177-T192 WeakPolarHBondContact OG1-CG2 3.37Å; T177-T192 PolarHBondContact OG1-OG1 3.45Å; T192-E194 HydrophobicContact CG2-CG 4.21Å; T192-S201 PolarHBondContact N-OG 3.18Å; T192-S201 VanDerWaalsContact N-OG 3.08Å; T192-S201 WeakPolarHBondContact O-CB 3.41Å; T192-S201 PolarHBondContact O-N 3.3Å; T192-S201 PolarHBondContact O-OG 3.15Å
193	W	97.6	Very high	93.6	Very high	7 Å²	7	66.3 Å²	66.3	3%	0.027	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147	168.3	-68.6	-99.5	0	0	0	110	T138 F141 N170 K175 F176 V178 Q191 K199 A200	T138-W193 HydrophobicContact CG2-CZ2 4.31Å; F141-W193 HydrophobicContact CB-CH2 3.95Å; F141-W193 HydrophobicContact CB-CZ2 4.49Å; F141-W193 HydrophobicContact CB-CZ3 4.22Å; N170-W193 VanDerWaalsContact ND2-CG 3.33Å; N170-W193 VanDerWaalsContact OD1-CB 3.29Å; N170-W193 WeakPolarHBondContact OD1-CB 3.39Å; K175-W193 CarbonylContact C-O 3.6Å; K175-W193 WeakPolarHBondContact CA-O 3.32Å; F176-W193 HydrophobicContact CB-CB 4.42Å; F176-W193 AromaticContact CD1-CE3 3.96Å; F176-W193 HydrophobicContact CD1-CE3 3.96Å; F176-W193 HydrophobicContact CD1-CZ3 4.46Å; F176-W193 PolarHBondContact N-O 3.28Å; F176-W193 PolarHBondContact O-N 3.18Å; V178-W193 HydrophobicContact CB-CZ3 4.33Å; V178-W193 HydrophobicContact CG2-CZ3 3.97Å; Q191-W193 HydrophobicContact CB-CH2 3.97Å; Q191-W193 HydrophobicContact CB-CZ3 3.91Å; Q191-W193 HydrophobicContact CG-CE3 4.35Å; Q191-W193 HydrophobicContact CG-CH2 3.88Å; Q191-W193 HydrophobicContact CG-CZ2 4.16Å; Q191-W193 HydrophobicContact CG-CZ3 3.97Å; Q191-W193 VanDerWaalsContact OE1-CZ2 3.3Å; W193-K199 CarbonylContact C-O 3.5Å; W193-K199 WeakPolarHBondContact CA-O 3.34Å; W193-A200 HydrophobicContact CG-CB 4.31Å
194	E	96.2	Very high	93.9	Very high	87 Å²	87	61 Å²	61	41%	0.407	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	163.6	178.6	-62.6	-174	149.7	0	0	110.4	R174 K175 T192 Q198 K199	R174-E194 VanDerWaalsContact O-CA 3.31Å; R174-E194 WeakPolarHBondContact O-CA 3.5Å; K175-E194 HydrophobicContact CG-CG 4.39Å; T192-E194 HydrophobicContact CG2-CG 4.21Å; E194-Q198 PolarHBondContact O-N 3.34Å; E194-K199 HydrophobicContact CB-CB 4.35Å; E194-K199 PolarHBondContact N-O 3.05Å; E194-K199 PolarHBondContact O-N 2.98Å; E194-K199 VanDerWaalsContact O-N 3.07Å
195	D	93.8	Very high	94.2	Very high	59 Å²	59	57.3 Å²	57.3	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	62.2	176.4	-62.9	-21.6	0	0	0	112.8	R174 M197 Q198 K199	R174-D195 PolarHBondContact O-N 2.67Å; R174-D195 VanDerWaalsContact O-N 3.11Å; D195-M197 VanDerWaalsContact C-N 3.33Å; D195-M197 PolarHBondContact O-N 3.25Å; D195-Q198 VanDerWaalsContact O-CB 3.25Å; D195-Q198 WeakPolarHBondContact O-CB 3.38Å; D195-Q198 VanDerWaalsContact O-CG 3.27Å; D195-Q198 WeakPolarHBondContact O-CG 3.29Å; D195-Q198 PolarHBondContact O-N 3.41Å; D195-K199 HydrophobicContact CB-CD 4.47Å; D195-K199 WeakPolarHBondContact OD2-CD 3.44Å; D195-K199 VanDerWaalsContact OD2-CE 3.24Å; D195-K199 WeakPolarHBondContact OD2-CE 3.27Å; D195-K199 IonicContact OD2-NZ 3.93Å; D195-K199 PolarHBondContact OD2-NZ 3.33Å
196	N	94.8	Very high	94.4	Very high	22 Å²	22	56.8 Å²	56.8	12%	0.118	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	41.3	174.7	-51.3	117.1	0	0	0	113.6	L42 I171 S173 Q198 D221 K224	L42-N196 HydrophobicContact CD1-CB 4.3Å; I171-N196 VanDerWaalsContact O-CA 3.23Å; I171-N196 WeakPolarHBondContact O-CA 3.49Å; I171-N196 WeakPolarHBondContact O-CB 3.48Å; I171-N196 PolarHBondContact O-ND2 3.48Å; S173-N196 PolarHBondContact O-N 3.41Å; N196-Q198 PolarHBondContact O-N 2.86Å; N196-D221 PolarHBondContact ND2-OD2 3.31Å; N196-K224 VanDerWaalsContact CG-CE 3.48Å; N196-K224 WeakPolarHBondContact ND2-CE 3.25Å; N196-K224 WeakPolarHBondContact OD1-CE 3.27Å
197	M	93.4	Very high	94.5	Very high	22 Å²	22	60.7 Å²	60.7	11%	0.108	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	8.3	-177.5	-160	175.4	78.2	0	0	114.9	L38 L144 K167 N170 I171 D195	L38-M197 HydrophobicContact CD1-CE 3.93Å; L144-M197 HydrophobicContact CG-CE 4.47Å; K167-M197 HydrophobicContact CB-SD 4.3Å; K167-M197 HydrophobicContact CG-SD 4.21Å; N170-M197 HydrophobicContact CB-CB 4.42Å; N170-M197 HydrophobicContact CB-CG 4.33Å; N170-M197 HydrophobicContact CB-SD 4.02Å; N170-M197 WeakPolarHBondContact ND2-CG 3.38Å; I171-M197 HydrophobicContact CD1-CE 3.94Å; I171-M197 HydrophobicContact CG1-CB 4.09Å; I171-M197 HydrophobicContact CG1-CE 3.75Å; I171-M197 HydrophobicContact CG1-SD 4.04Å; D195-M197 VanDerWaalsContact C-N 3.33Å; D195-M197 PolarHBondContact O-N 3.25Å
198	Q	90.6	Very high	94.2	Very high	133 Å²	133	58.1 Å²	58.1	62%	0.621	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-27.3	-179.7	-63	-177.2	3	0	0	113.2	L38 E194 D195 N196	L38-Q198 HydrophobicContact CD2-CG 4.44Å; E194-Q198 PolarHBondContact O-N 3.34Å; D195-Q198 VanDerWaalsContact O-CB 3.25Å; D195-Q198 WeakPolarHBondContact O-CB 3.38Å; D195-Q198 VanDerWaalsContact O-CG 3.27Å; D195-Q198 WeakPolarHBondContact O-CG 3.29Å; D195-Q198 PolarHBondContact O-N 3.41Å; N196-Q198 PolarHBondContact O-N 2.86Å
199	K	92.2	Very high	93.7	Very high	120 Å²	120	62.5 Å²	62.5	52%	0.522	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.3	176.4	-65.2	177.4	-175.2	160.9	0	109.7	W193 E194 D195	W193-K199 CarbonylContact C-O 3.5Å; W193-K199 WeakPolarHBondContact CA-O 3.34Å; E194-K199 HydrophobicContact CB-CB 4.35Å; E194-K199 PolarHBondContact N-O 3.05Å; E194-K199 PolarHBondContact O-N 2.98Å; E194-K199 VanDerWaalsContact O-N 3.07Å; D195-K199 HydrophobicContact CB-CD 4.47Å; D195-K199 WeakPolarHBondContact OD2-CD 3.44Å; D195-K199 VanDerWaalsContact OD2-CE 3.24Å; D195-K199 WeakPolarHBondContact OD2-CE 3.27Å; D195-K199 IonicContact OD2-NZ 3.93Å; D195-K199 PolarHBondContact OD2-NZ 3.33Å
200	A	92.4	Very high	93.2	Very high	60 Å²	60	67.6 Å²	67.6	50%	0.496	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.5	176.4	0	0	0	0	0	109.9	W193	W193-A200 HydrophobicContact CG-CB 4.31Å
201	S	94.3	Very high	92.9	Very high	51 Å²	51	67.2 Å²	67.2	36%	0.357	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-68.6	158	170	77.9	0	0	0	0	110.3	Q191 T192	Q191-S201 WeakPolarHBondContact CG-O 3.35Å; Q191-S201 PolarHBondContact NE2-O 3.3Å; T192-S201 PolarHBondContact N-OG 3.18Å; T192-S201 VanDerWaalsContact N-OG 3.08Å; T192-S201 WeakPolarHBondContact O-CB 3.41Å; T192-S201 PolarHBondContact O-N 3.3Å; T192-S201 PolarHBondContact O-OG 3.15Å
202	N	93.1	Very high	92.8	Very high	147 Å²	147	68.8 Å²	68.8	79%	0.786	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-61.1	139.2	165.2	-71.4	-28.1	0	0	0	109.5	T204	N202-T204 PolarHBondContact O-N 3.4Å
203	P	93.5	Very high	92.7	Very high	43 Å²	43	69 Å²	69	28%	0.279	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-70.2	127.9	177.9	27.4	-32.6	0	0	0	110.7	Y135 F189 Q191 V205	Y135-P203 HydrophobicContact CD2-CB 4.38Å; Y135-P203 HydrophobicContact CD2-CG 3.9Å; Y135-P203 HydrophobicContact CE2-CG 4.24Å; F189-P203 HydrophobicContact CD2-CB 4.19Å; F189-P203 HydrophobicContact CE2-CB 3.36Å; F189-P203 HydrophobicContact CE2-CG 4.42Å; F189-P203 HydrophobicContact CZ-CB 3.75Å; Q191-P203 HydrophobicContact CB-CB 4.39Å; P203-V205 HydrophobicContact CB-CG2 4.41Å; P203-V205 PolarHBondContact O-N 3.02Å
204	T	94.8	Very high	92.7	Very high	76 Å²	76	69.2 Å²	69.2	47%	0.466	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	112.1	169.7	-53.8	0	0	0	0	108.8	F189 K190 N202 V206	F189-T204 CarbonylContact C-O 3.51Å; F189-T204 WeakPolarHBondContact CA-O 3.39Å; K190-T204 PolarHBondContact N-O 3.22Å; K190-T204 PolarHBondContact O-N 3.01Å; N202-T204 PolarHBondContact O-N 3.4Å; T204-V206 HydrophobicContact CG2-CG1 4.37Å
205	V	93.6	Very high	92.7	Very high	41 Å²	41	65.4 Å²	65.4	25%	0.248	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.2	177.5	-176.7	0	0	0	0	109.5	V126 Y135 K187 F188 F189 P203	V126-V205 HydrophobicContact CG1-CG1 3.87Å; V126-V205 HydrophobicContact CG1-CG2 4.4Å; Y135-V205 HydrophobicContact CD2-CG2 4.26Å; Y135-V205 HydrophobicContact CE1-CG2 4.21Å; Y135-V205 HydrophobicContact CE2-CG2 3.84Å; K187-V205 HydrophobicContact CB-CG1 4.45Å; K187-V205 HydrophobicContact CD-CG1 3.96Å; K187-V205 HydrophobicContact CG-CG1 4.33Å; F188-V205 WeakPolarHBondContact O-CA 3.3Å; F189-V205 HydrophobicContact CD2-CG2 3.82Å; F189-V205 HydrophobicContact CE2-CG2 4.41Å; P203-V205 HydrophobicContact CB-CG2 4.41Å; P203-V205 PolarHBondContact O-N 3.02Å
206	V	94.1	Very high	92.9	Very high	76 Å²	76	63 Å²	63	46%	0.461	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.3	177.8	-60.1	0	0	0	0	110.6	K187 F188 T204 C208	K187-V206 CarbonylContact C-O 3.59Å; K187-V206 WeakPolarHBondContact CA-O 3.48Å; F188-V206 HydrophobicContact CB-CG2 3.83Å; F188-V206 HydrophobicContact CD1-CG2 3.8Å; F188-V206 HydrophobicContact CG-CG2 4.18Å; F188-V206 PolarHBondContact N-O 3.41Å; F188-V206 PolarHBondContact O-N 2.81Å; F188-V206 VanDerWaalsContact O-N 3.14Å; T204-V206 HydrophobicContact CG2-CG1 4.37Å; V206-C208 PolarHBondContact O-N 3.01Å
207	S	92.4	Very high	93.1	Very high	112 Å²	112	65.4 Å²	65.4	78%	0.783	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	134.2	171.8	-59	0	0	0	0	110.1	G186	G186-S207 CarbonylContact O-C 3.51Å; G186-S207 WeakPolarHBondContact O-CA 3.44Å
208	C	86.5	Confident	93.3	Very high	21 Å²	21	64.4 Å²	64.4	14%	0.142	38%	0.379	C	S	.	.			trans	-145.2	136	-173.4	-169.4	0	0	0	0	111.8	G186 F188 V206 Q210	G186-C208 CarbonylContact C-O 3.58Å; G186-C208 VanDerWaalsContact C-O 3.27Å; G186-C208 PolarHBondContact O-N 3.23Å; F188-C208 HydrophobicContact CB-CB 3.56Å; V206-C208 PolarHBondContact O-N 3.01Å; C208-Q210 WeakPolarHBondContact SG-CB 3.49Å; C208-Q210 WeakPolarHBondContact SG-CG 3.36Å; C208-Q210 PolarHBondContact SG-N 3.04Å; C208-Q210 VanDerWaalsContact SG-N 3.41Å
209	S	85.9	Confident	93.6	Very high	120 Å²	120	60.2 Å²	60.2	84%	0.839	36%	0.36	S	S	*	.			trans	-107.8	6.7	174.9	56.8	0	0	0	0	113.2
210	Q	86	Confident	93.8	Very high	106 Å²	106	54.7 Å²	54.7	50%	0.495	34%	0.337	S	S	.	.	S	Bend	trans	-65.3	157.5	178.7	-65.9	176.8	-13.4	0	0	111.4	S181 C208	S181-Q210 PolarHBondContact OG-O 3.5Å; C208-Q210 WeakPolarHBondContact SG-CB 3.49Å; C208-Q210 WeakPolarHBondContact SG-CG 3.36Å; C208-Q210 PolarHBondContact SG-N 3.04Å; C208-Q210 VanDerWaalsContact SG-N 3.41Å
211	A	91.3	Very high	94	Very high	78 Å²	78	53.3 Å²	53.3	65%	0.645	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-56.7	153	172.7	0	0	0	0	0	111.5	S181 Y213	S181-A211 WeakPolarHBondContact CB-O 3.46Å; S181-A211 PolarHBondContact OG-O 3.17Å; A211-Y213 WeakPolarHBondContact O-CD1 3.44Å; A211-Y213 PolarHBondContact O-N 3.46Å
212	D	94.2	Very high	94	Very high	41 Å²	41	51.4 Å²	51.4	22%	0.219	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-64.8	133.4	178	-70.6	-39.2	0	0	0	111.3	G121 S181 C182 R183	G121-D212 CarbonylContact O-C 3.27Å; G121-D212 WeakPolarHBondContact O-CB 3.43Å; S181-D212 WeakPolarHBondContact O-CA 3.48Å; C182-D212 VanDerWaalsContact CA-OD1 3.27Å; C182-D212 WeakPolarHBondContact CA-OD1 3.24Å; R183-D212 WeakPolarHBondContact CB-OD1 3.49Å; R183-D212 PolarHBondContact N-OD1 2.85Å
213	Y	96.1	Very high	94.1	Very high	26 Å²	26	48.3 Å²	48.3	10%	0.102	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	163.5	170.4	72.2	-89.5	0	0	0	111.6	W118 N119 E179 T180 S181 F188 A211 C215	W118-Y213 AromaticContact CD1-CD2 3.79Å; W118-Y213 HydrophobicContact CZ2-CG 4.17Å; W118-Y213 AromaticContact NE1-CD2 3.18Å; W118-Y213 AromaticContact NE1-CE2 3.9Å; W118-Y213 AromaticContact NE1-CG 3.5Å; N119-Y213 VanDerWaalsContact O-CA 3.31Å; N119-Y213 WeakPolarHBondContact O-CA 3.38Å; N119-Y213 WeakPolarHBondContact O-CB 3.34Å; E179-Y213 HydrophobicContact CG-CE2 3.98Å; E179-Y213 PolarHBondContact OE1-OH 2.62Å; T180-Y213 VanDerWaalsContact CA-O 3.27Å; T180-Y213 WeakPolarHBondContact CA-O 3.33Å; T180-Y213 WeakPolarHBondContact CB-O 3.32Å; T180-Y213 PolarHBondContact OG1-O 3.49Å; S181-Y213 PolarHBondContact N-O 3.13Å; S181-Y213 VanDerWaalsContact N-O 3.11Å; S181-Y213 PolarHBondContact O-N 3.11Å; F188-Y213 WeakPolarHBondContact CE2-OH 3.4Å; A211-Y213 WeakPolarHBondContact O-CD1 3.44Å; A211-Y213 PolarHBondContact O-N 3.46Å; Y213-C215 HydrophobicContact CD2-CB 4.33Å; Y213-C215 HydrophobicContact CE2-CB 4.27Å
214	T	96.5	Very high	94	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.08	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135	166.6	-58.3	0	0	0	0	109.5	W118 N119 I124 E179 T180 V216	W118-T214 CarbonylContact C-O 3.49Å; W118-T214 WeakPolarHBondContact CA-O 3.21Å; N119-T214 PolarHBondContact N-O 3.47Å; N119-T214 PolarHBondContact O-N 3.19Å; I124-T214 HydrophobicContact CD1-CG2 3.69Å; I124-T214 HydrophobicContact CG1-CG2 4.38Å; E179-T214 CarbonylContact O-C 3.47Å; T180-T214 PolarHBondContact OG1-OG1 2.91Å; T214-V216 HydrophobicContact CG2-CG2 4.46Å
215	C	97.4	Very high	94	Very high	7 Å²	7	46.3 Å²	46.3	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.7	175.7	-167.2	0	0	0	0	109.7	V117 W118 E179 Y213	V117-C215 WeakPolarHBondContact O-CA 3.5Å; W118-C215 HydrophobicContact CB-CB 4.47Å; W118-C215 HydrophobicContact CG-CB 4.43Å; E179-C215 HydrophobicContact CB-CB 4.21Å; E179-C215 PolarHBondContact N-O 2.59Å; E179-C215 PolarHBondContact O-N 3.11Å; Y213-C215 HydrophobicContact CD2-CB 4.33Å; Y213-C215 HydrophobicContact CE2-CB 4.27Å
216	V	97.8	Very high	93.9	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.4	173.5	179.1	0	0	0	0	108.1	I87 S116 V117 F141 F176 T177 T214 F218	I87-V216 HydrophobicContact CD1-CG1 4.06Å; I87-V216 HydrophobicContact CG1-CG1 4.27Å; I87-V216 HydrophobicContact CG2-CB 3.79Å; I87-V216 HydrophobicContact CG2-CG1 3.88Å; I87-V216 HydrophobicContact CG2-CG2 4.31Å; S116-V216 CarbonylContact C-O 3.57Å; S116-V216 WeakPolarHBondContact CA-O 3.35Å; V117-V216 PolarHBondContact N-O 3.06Å; V117-V216 PolarHBondContact O-N 3.03Å; F141-V216 HydrophobicContact CE1-CG2 3.97Å; F141-V216 HydrophobicContact CZ-CG2 4.16Å; F176-V216 HydrophobicContact CD2-CG1 4.39Å; F176-V216 HydrophobicContact CE1-CG1 4.23Å; F176-V216 HydrophobicContact CE2-CG1 3.46Å; F176-V216 VanDerWaalsContact CE2-CG1 3.46Å; F176-V216 HydrophobicContact CZ-CG1 3.35Å; T177-V216 WeakPolarHBondContact O-CA 3.35Å; T214-V216 HydrophobicContact CG2-CG2 4.46Å; V216-F218 HydrophobicContact CG1-CD1 4.49Å
217	K	98.1	Very high	93.8	Very high	72 Å²	72	45 Å²	45	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.3	176.2	-57.4	-176	-179.1	174.6	0	109.4	I115 F176 T177	I115-K217 CarbonylContact O-C 3.58Å; I115-K217 WeakPolarHBondContact O-CA 3.23Å; F176-K217 CarbonylContact C-O 3.55Å; F176-K217 WeakPolarHBondContact CA-O 3.43Å; T177-K217 PolarHBondContact N-O 3.42Å; T177-K217 PolarHBondContact O-N 3.05Å
218	F	97.8	Very high	93.7	Very high	2 Å²	2	45 Å²	45	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.2	178.7	66.3	-82.4	0	0	0	112.4	I83 F84 I87 I115 C169 K175 F176 V216 P220	I83-F218 HydrophobicContact CD1-CE2 4.31Å; F84-F218 HydrophobicContact CB-CZ 4.2Å; F84-F218 HydrophobicContact CD2-CZ 4.3Å; I87-F218 HydrophobicContact CG1-CE1 4.19Å; I115-F218 HydrophobicContact CB-CD1 4.27Å; I115-F218 HydrophobicContact CB-CD2 4.5Å; I115-F218 HydrophobicContact CB-CE1 3.77Å; I115-F218 HydrophobicContact CB-CE2 4.03Å; I115-F218 HydrophobicContact CB-CZ 3.63Å; I115-F218 HydrophobicContact CD1-CE2 3.82Å; I115-F218 HydrophobicContact CD1-CZ 3.85Å; I115-F218 HydrophobicContact CG1-CE2 4.42Å; I115-F218 HydrophobicContact CG1-CZ 4.32Å; I115-F218 HydrophobicContact CG2-CE1 3.65Å; I115-F218 HydrophobicContact CG2-CE2 4.49Å; I115-F218 HydrophobicContact CG2-CZ 3.63Å; I115-F218 PolarHBondContact N-O 2.92Å; I115-F218 PolarHBondContact O-N 3.26Å; C169-F218 VanDerWaalsContact SG-CD2 3.54Å; C169-F218 VanDerWaalsContact SG-CG 3.58Å; K175-F218 CarbonylContact O-C 3.5Å; K175-F218 VanDerWaalsContact O-CA 3.25Å; K175-F218 WeakPolarHBondContact O-CA 3.3Å; F176-F218 HydrophobicContact CD2-CB 3.64Å; F176-F218 HydrophobicContact CD2-CG 4.49Å; F176-F218 HydrophobicContact CE2-CB 4.27Å; F176-F218 HydrophobicContact CG-CB 4.5Å; V216-F218 HydrophobicContact CG1-CD1 4.49Å; F218-P220 HydrophobicContact CD2-CG 3.88Å; F218-P220 HydrophobicContact CE2-CG 3.83Å
219	I	97.8	Very high	94	Very high	44 Å²	44	46.1 Å²	46.1	23%	0.226	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	104.1	172.2	-58.3	176.5	0	0	0	106.1	E114 S173 R174 K175	E114-I219 HydrophobicContact CB-CG1 4.12Å; E114-I219 HydrophobicContact CG-CG1 4.18Å; S173-I219 CarbonylContact C-O 3.52Å; S173-I219 VanDerWaalsContact CA-O 3.3Å; S173-I219 WeakPolarHBondContact CA-O 3.14Å; S173-I219 WeakPolarHBondContact CB-O 3.12Å; R174-I219 PolarHBondContact N-O 3.05Å; K175-I219 HydrophobicContact CB-CB 4.36Å; K175-I219 HydrophobicContact CB-CD1 4.26Å; K175-I219 HydrophobicContact CB-CG1 4.44Å; K175-I219 HydrophobicContact CD-CD1 4.4Å; K175-I219 PolarHBondContact O-N 3.17Å
220	P	97.1	Very high	94.4	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	142.7	179.1	-23.6	33.7	0	0	0	111.5	L80 I83 N113 I115 F218 L222 F225	L80-P220 HydrophobicContact CD1-CB 3.66Å; L80-P220 HydrophobicContact CD1-CG 3.79Å; I83-P220 HydrophobicContact CD1-CB 4.3Å; N113-P220 WeakPolarHBondContact O-CD 3.2Å; I115-P220 HydrophobicContact CD1-CG 4.13Å; F218-P220 HydrophobicContact CD2-CG 3.88Å; F218-P220 HydrophobicContact CE2-CG 3.83Å; P220-L222 HydrophobicContact CB-CD2 3.93Å; P220-L222 HydrophobicContact CB-CG 4.5Å; P220-L222 PolarHBondContact O-N 3.28Å; P220-F225 HydrophobicContact CB-CE2 4.37Å
221	D	96.1	Very high	94.8	Very high	31 Å²	31	38.2 Å²	38.2	17%	0.166	25%	0.249	C	C	.	.			trans	-78.1	78.7	171.3	-172.6	-2.8	0	0	0	109.5	F172 N196 A223 K224 F225	F172-D221 PolarHBondContact O-N 2.68Å; N196-D221 PolarHBondContact ND2-OD2 3.31Å; D221-A223 PolarHBondContact O-N 3.07Å; D221-A223 VanDerWaalsContact O-N 3.11Å; D221-K224 HydrophobicContact CB-CD 4.33Å; D221-K224 HydrophobicContact CB-CG 4.42Å; D221-K224 WeakPolarHBondContact O-CB 3.38Å; D221-K224 PolarHBondContact O-N 3.24Å; D221-K224 WeakPolarHBondContact OD2-CD 3.35Å; D221-K224 WeakPolarHBondContact OD2-CE 3.4Å; D221-F225 WeakPolarHBondContact O-CD2 3.4Å
222	L	94.8	Very high	94.8	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-58	-26.6	-172.5	-63.6	-177.7	0	0	0	113.5	L80 N113 P220 K224 F225 G226 M227 L230	L80-L222 HydrophobicContact CD1-CD2 4.41Å; L80-L222 HydrophobicContact CD2-CD2 4.01Å; N113-L222 HydrophobicContact CB-CD1 4.02Å; P220-L222 HydrophobicContact CB-CD2 3.93Å; P220-L222 HydrophobicContact CB-CG 4.5Å; P220-L222 PolarHBondContact O-N 3.28Å; L222-K224 PolarHBondContact O-N 3.14Å; L222-F225 CarbonylContact O-C 3.59Å; L222-F225 WeakPolarHBondContact O-CA 3.49Å; L222-F225 PolarHBondContact O-N 3.3Å; L222-G226 PolarHBondContact O-N 3.35Å; L222-M227 CarbonylContact C-O 3.52Å; L222-M227 HydrophobicContact CB-CB 4.13Å; L222-M227 WeakPolarHBondContact CB-O 3.44Å; L222-M227 HydrophobicContact CD2-CB 4.39Å; L222-M227 PolarHBondContact O-N 3.18Å; L222-M227 VanDerWaalsContact O-O 3.06Å; L222-L230 HydrophobicContact CD2-CD2 3.93Å
223	A	93.7	Very high	94.8	Very high	81 Å²	81	39.7 Å²	39.7	67%	0.669	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-60	-35.7	175.1	0	0	0	0	0	111.9	D221 F225 G226	D221-A223 PolarHBondContact O-N 3.07Å; D221-A223 VanDerWaalsContact O-N 3.11Å; A223-F225 PolarHBondContact O-N 3.14Å; A223-G226 PolarHBondContact O-N 3.15Å
224	K	92.7	Very high	94.7	Very high	75 Å²	75	38.4 Å²	38.4	33%	0.326	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-71.4	-14.1	175.2	-66.8	-174.9	-177.8	-64	0	113.7	L42 F172 N196 D221 L222	L42-K224 HydrophobicContact CD2-CD 3.9Å; F172-K224 HydrophobicContact CD1-CD 4.23Å; F172-K224 HydrophobicContact CE1-CD 4.4Å; N196-K224 VanDerWaalsContact CG-CE 3.48Å; N196-K224 WeakPolarHBondContact ND2-CE 3.25Å; N196-K224 WeakPolarHBondContact OD1-CE 3.27Å; D221-K224 HydrophobicContact CB-CD 4.33Å; D221-K224 HydrophobicContact CB-CG 4.42Å; D221-K224 WeakPolarHBondContact O-CB 3.38Å; D221-K224 PolarHBondContact O-N 3.24Å; D221-K224 WeakPolarHBondContact OD2-CD 3.35Å; D221-K224 WeakPolarHBondContact OD2-CE 3.4Å; L222-K224 PolarHBondContact O-N 3.14Å
225	F	93.8	Very high	94.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-105.5	6.3	177.3	-60.8	-66.2	0	0	0	112.6	I49 V52 V77 L80 I83 F172 P220 D221 L222 A223 M227	I49-F225 HydrophobicContact CD1-CE1 3.78Å; I49-F225 HydrophobicContact CD1-CZ 4.13Å; V52-F225 HydrophobicContact CB-CD1 4.25Å; V52-F225 HydrophobicContact CG1-CD1 3.94Å; V52-F225 HydrophobicContact CG1-CE1 4.01Å; V77-F225 HydrophobicContact CG1-CB 4.13Å; V77-F225 HydrophobicContact CG1-CD1 3.66Å; V77-F225 HydrophobicContact CG1-CG 4.3Å; V77-F225 HydrophobicContact CG2-CB 4.41Å; L80-F225 HydrophobicContact CB-CD1 4.05Å; L80-F225 HydrophobicContact CB-CD2 4.28Å; L80-F225 HydrophobicContact CB-CE1 4.13Å; L80-F225 HydrophobicContact CB-CE2 4.38Å; L80-F225 HydrophobicContact CB-CG 4.1Å; L80-F225 HydrophobicContact CB-CZ 4.29Å; L80-F225 HydrophobicContact CD1-CD2 4.2Å; L80-F225 HydrophobicContact CD1-CE2 4.04Å; I83-F225 HydrophobicContact CD1-CE2 4.09Å; I83-F225 HydrophobicContact CD1-CZ 3.94Å; F172-F225 HydrophobicContact CB-CE2 4.2Å; F172-F225 HydrophobicContact CB-CZ 3.8Å; F172-F225 HydrophobicContact CD1-CE1 4.18Å; F172-F225 HydrophobicContact CD1-CE2 4.4Å; F172-F225 AromaticContact CD1-CZ 3.76Å; F172-F225 HydrophobicContact CD1-CZ 3.76Å; F172-F225 HydrophobicContact CG-CZ 4.02Å; P220-F225 HydrophobicContact CB-CE2 4.37Å; D221-F225 WeakPolarHBondContact O-CD2 3.4Å; L222-F225 CarbonylContact O-C 3.59Å; L222-F225 WeakPolarHBondContact O-CA 3.49Å; L222-F225 PolarHBondContact O-N 3.3Å; A223-F225 PolarHBondContact O-N 3.14Å; F225-M227 VanDerWaalsContact C-N 3.25Å; F225-M227 HydrophobicContact CB-CG 4.37Å; F225-M227 HydrophobicContact CB-SD 4.43Å; F225-M227 WeakPolarHBondContact O-CG 3.32Å; F225-M227 PolarHBondContact O-N 3.28Å
226	G	91.3	Very high	94.4	Very high	66 Å²	66	39 Å²	39	68%	0.68	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	27.3	-176.1	0	0	0	0	0	113.7	L222 A223	L222-G226 PolarHBondContact O-N 3.35Å; A223-G226 PolarHBondContact O-N 3.15Å
227	M	92.4	Very high	94.1	Very high	23 Å²	23	38.6 Å²	38.6	11%	0.113	24%	0.243	C	C	.	.			trans	-123	153.4	-176.4	-62.5	178.9	79.1	0	0	111.3	V77 L80 L222 F225 D231 I234	V77-M227 HydrophobicContact CB-SD 4.32Å; V77-M227 HydrophobicContact CG2-CG 4.19Å; V77-M227 HydrophobicContact CG2-SD 3.67Å; L80-M227 HydrophobicContact CD2-CE 4.31Å; L80-M227 HydrophobicContact CD2-SD 3.59Å; L80-M227 VanDerWaalsContact CD2-SD 3.59Å; L222-M227 CarbonylContact C-O 3.52Å; L222-M227 HydrophobicContact CB-CB 4.13Å; L222-M227 WeakPolarHBondContact CB-O 3.44Å; L222-M227 HydrophobicContact CD2-CB 4.39Å; L222-M227 PolarHBondContact O-N 3.18Å; L222-M227 VanDerWaalsContact O-O 3.06Å; F225-M227 VanDerWaalsContact C-N 3.25Å; F225-M227 HydrophobicContact CB-CG 4.37Å; F225-M227 HydrophobicContact CB-SD 4.43Å; F225-M227 WeakPolarHBondContact O-CG 3.32Å; F225-M227 PolarHBondContact O-N 3.28Å; M227-D231 HydrophobicContact CE-CB 4.49Å; M227-D231 WeakPolarHBondContact CE-OD2 3.47Å; M227-I234 HydrophobicContact CE-CG2 4.06Å
228	S	90.6	Very high	94	Very high	113 Å²	113	35.2 Å²	35.2	79%	0.79	23%	0.228	S	C	*	.	S	Bend	trans	-109.2	-25.9	173.9	56.1	0	0	0	0	113.3
229	A	93.6	Very high	93.8	Very high	45 Å²	45	35.9 Å²	35.9	37%	0.372	23%	0.233	S	C	.	.	S	Bend	trans	-146.6	160	177.1	0	0	0	0	0	110.7	N113 D231	N113-A229 WeakPolarHBondContact OD1-CA 3.26Å; A229-D231 PolarHBondContact O-N 2.87Å
230	L	94.6	Very high	93.6	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	22%	0.224	C	C	.	.			trans	-69.8	95.7	168.4	-63	177.3	0	0	0	109.6	L80 I108 Q110 N113 I115 L222 I234 V235	L80-L230 HydrophobicContact CD2-CD2 3.96Å; I108-L230 HydrophobicContact CG2-CD1 4.13Å; Q110-L230 HydrophobicContact CG-CB 4.31Å; Q110-L230 PolarHBondContact NE2-O 3.16Å; N113-L230 HydrophobicContact CB-CG 4.37Å; N113-L230 PolarHBondContact OD1-N 3.27Å; I115-L230 HydrophobicContact CD1-CD1 4.14Å; I115-L230 HydrophobicContact CG1-CD1 4.05Å; L222-L230 HydrophobicContact CD2-CD2 3.93Å; L230-I234 HydrophobicContact CB-CG2 4.33Å; L230-I234 HydrophobicContact CD2-CG2 4.37Å; L230-V235 HydrophobicContact CB-CG2 3.99Å
231	D	92.4	Very high	93.5	Very high	58 Å²	58	34 Å²	34	31%	0.31	22%	0.223	S	C	.	.			trans	-66.6	171.9	179.8	70.7	38.5	0	0	0	113.6	M227 A229 D233 I234 V235	M227-D231 HydrophobicContact CE-CB 4.49Å; M227-D231 WeakPolarHBondContact CE-OD2 3.47Å; A229-D231 PolarHBondContact O-N 2.87Å; D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 2.83Å; D231-D233 WeakPolarHBondContact OD1-CA 3.36Å; D231-D233 PolarHBondContact OD1-N 2.91Å; D231-I234 WeakPolarHBondContact O-CG2 3.43Å; D231-I234 PolarHBondContact OD1-N 3.14Å; D231-V235 WeakPolarHBondContact O-CB 3.33Å; D231-V235 WeakPolarHBondContact O-CG2 3.45Å; D231-V235 PolarHBondContact O-N 3.38Å; D231-V235 VanDerWaalsContact O-N 3.12Å
232	N	92.8	Very high	93.4	Very high	117 Å²	117	32.6 Å²	32.6	63%	0.626	22%	0.215	S	C	*	.	H	α-helix	trans	-66.9	-26.5	-176.5	-67.1	-26.2	0	0	0	113.5	Q110 A236	Q110-N232 PolarHBondContact NE2-OD1 3.48Å; N232-A236 VanDerWaalsContact O-CB 3.23Å; N232-A236 WeakPolarHBondContact O-CB 3.5Å; N232-A236 PolarHBondContact O-N 3.02Å
233	D	93.2	Very high	93.4	Very high	32 Å²	32	32.6 Å²	32.6	17%	0.171	21%	0.214	C	C	.	.	H	α-helix	trans	-76.5	-47.6	-177.5	-84.8	1.7	0	0	0	110.8	R72 I74 T75 D231 V235 A236 L237	R72-D233 IonicContact CZ-OD1 2.97Å; R72-D233 IonicContact NH1-OD1 3.17Å; R72-D233 PolarHBondContact NH1-OD1 3.04Å; R72-D233 IonicContact NH1-OD2 2.71Å; R72-D233 IonicContact NH2-OD1 2.94Å; R72-D233 PolarHBondContact NH2-OD1 3.19Å; I74-D233 WeakPolarHBondContact CA-OD2 3.42Å; I74-D233 HydrophobicContact CB-CB 4.08Å; T75-D233 PolarHBondContact N-OD2 3.39Å; T75-D233 VanDerWaalsContact O-CB 3.23Å; T75-D233 WeakPolarHBondContact O-CB 3.49Å; D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 2.83Å; D231-D233 WeakPolarHBondContact OD1-CA 3.36Å; D231-D233 PolarHBondContact OD1-N 2.91Å; D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 3.46Å; D233-A236 PolarHBondContact O-N 3.06Å; D233-L237 PolarHBondContact O-N 3.16Å
234	I	94	Very high	93.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-38.3	175	-167.9	67.6	0	0	0	111.1	Y76 L80 M227 L230 D231 L237 M238	Y76-I234 HydrophobicContact CD2-CD1 4.32Å; L80-I234 HydrophobicContact CD2-CD1 4.45Å; L80-I234 HydrophobicContact CD2-CG1 3.93Å; L80-I234 HydrophobicContact CG-CD1 4.43Å; L80-I234 HydrophobicContact CG-CG1 4.25Å; M227-I234 HydrophobicContact CE-CG2 4.06Å; L230-I234 HydrophobicContact CB-CG2 4.33Å; L230-I234 HydrophobicContact CD2-CG2 4.37Å; D231-I234 WeakPolarHBondContact O-CG2 3.43Å; D231-I234 PolarHBondContact OD1-N 3.14Å; I234-L237 HydrophobicContact CD1-CD2 4.39Å; I234-L237 WeakPolarHBondContact O-CB 3.37Å; I234-L237 PolarHBondContact O-N 2.89Å; I234-M238 HydrophobicContact CD1-CE 4.29Å; I234-M238 HydrophobicContact CG1-CE 3.8Å; I234-M238 HydrophobicContact CG1-CG 4.42Å; I234-M238 HydrophobicContact CG1-SD 4.31Å; I234-M238 WeakPolarHBondContact O-CG 3.42Å; I234-M238 PolarHBondContact O-N 3.1Å
235	V	94.2	Very high	93.6	Very high	18 Å²	18	25.3 Å²	25.3	11%	0.109	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-40.5	177.7	171.6	0	0	0	0	111.4	I108 Q110 L230 D231 D233 L237 M238 S239	I108-V235 HydrophobicContact CG2-CG2 4.1Å; Q110-V235 HydrophobicContact CG-CG2 3.67Å; L230-V235 HydrophobicContact CB-CG2 3.99Å; D231-V235 WeakPolarHBondContact O-CB 3.33Å; D231-V235 WeakPolarHBondContact O-CG2 3.45Å; D231-V235 PolarHBondContact O-N 3.38Å; D231-V235 VanDerWaalsContact O-N 3.12Å; D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 3.46Å; V235-L237 VanDerWaalsContact C-N 3.28Å; V235-L237 PolarHBondContact O-N 2.96Å; V235-M238 PolarHBondContact O-N 3.42Å; V235-S239 WeakPolarHBondContact O-CB 3.3Å; V235-S239 PolarHBondContact O-N 3.4Å; V235-S239 PolarHBondContact O-OG 2.67Å
236	A	92.8	Very high	93.6	Very high	13 Å²	13	25.2 Å²	25.2	11%	0.107	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-38.3	174.5	0	0	0	0	0	111.8	V61 N232 D233 R240	V61-A236 HydrophobicContact CB-CB 4.2Å; V61-A236 HydrophobicContact CG1-CB 4.3Å; N232-A236 VanDerWaalsContact O-CB 3.23Å; N232-A236 WeakPolarHBondContact O-CB 3.5Å; N232-A236 PolarHBondContact O-N 3.02Å; D233-A236 PolarHBondContact O-N 3.06Å; A236-R240 PolarHBondContact O-N 3.01Å
237	L	92.8	Very high	93.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-68.7	-46.3	177.2	-172.5	66.6	0	0	0	112.5	M59 I74 Y76 Y81 D233 I234 V235 S239 R240 R241	M59-L237 HydrophobicContact CE-CD1 3.68Å; M59-L237 HydrophobicContact CE-CD2 3.74Å; M59-L237 HydrophobicContact CE-CG 4.35Å; M59-L237 HydrophobicContact SD-CD1 3.95Å; I74-L237 HydrophobicContact CD1-CB 4.04Å; I74-L237 HydrophobicContact CD1-CD1 4.13Å; I74-L237 HydrophobicContact CD1-CD2 4.22Å; I74-L237 HydrophobicContact CD1-CG 4.37Å; Y76-L237 HydrophobicContact CD2-CD2 3.39Å; Y76-L237 HydrophobicContact CE2-CD2 3.7Å; Y76-L237 HydrophobicContact CG-CD2 3.91Å; Y81-L237 HydrophobicContact CD1-CD2 4.34Å; Y81-L237 HydrophobicContact CD2-CD2 3.57Å; Y81-L237 HydrophobicContact CD2-CG 3.7Å; Y81-L237 HydrophobicContact CE2-CD2 4.06Å; Y81-L237 HydrophobicContact CE2-CG 3.76Å; Y81-L237 HydrophobicContact CG-CD2 3.73Å; Y81-L237 HydrophobicContact CG-CG 4.35Å; D233-L237 PolarHBondContact O-N 3.16Å; I234-L237 HydrophobicContact CD1-CD2 4.39Å; I234-L237 WeakPolarHBondContact O-CB 3.37Å; I234-L237 PolarHBondContact O-N 2.89Å; V235-L237 VanDerWaalsContact C-N 3.28Å; V235-L237 PolarHBondContact O-N 2.96Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 3.05Å; L237-R240 WeakPolarHBondContact O-CB 3.5Å; L237-R240 PolarHBondContact O-N 3Å; L237-R241 PolarHBondContact O-N 3.05Å
238	M	95	Very high	93.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-39.4	175	-69.9	179.3	172.3	0	0	111.6	L80 F84 I108 I115 I234 V235 R241 A242	L80-M238 HydrophobicContact CD1-CE 4.24Å; L80-M238 HydrophobicContact CG-CE 3.97Å; F84-M238 HydrophobicContact CB-CE 3.83Å; F84-M238 HydrophobicContact CB-SD 4.48Å; F84-M238 HydrophobicContact CD1-CB 4.05Å; F84-M238 HydrophobicContact CD1-CG 3.68Å; F84-M238 HydrophobicContact CD1-SD 4.44Å; F84-M238 HydrophobicContact CE1-CB 3.79Å; F84-M238 HydrophobicContact CE1-CG 3.97Å; F84-M238 HydrophobicContact CG-CE 4.22Å; F84-M238 HydrophobicContact CG-CG 4.08Å; F84-M238 HydrophobicContact CG-SD 4.24Å; F84-M238 HydrophobicContact CZ-CB 4.17Å; I108-M238 HydrophobicContact CD1-CB 3.58Å; I108-M238 HydrophobicContact CD1-SD 4.41Å; I115-M238 HydrophobicContact CD1-CE 3.8Å; I115-M238 HydrophobicContact CD1-SD 3.78Å; I234-M238 HydrophobicContact CD1-CE 4.29Å; I234-M238 HydrophobicContact CG1-CE 3.8Å; I234-M238 HydrophobicContact CG1-CG 4.42Å; I234-M238 HydrophobicContact CG1-SD 4.31Å; I234-M238 WeakPolarHBondContact O-CG 3.42Å; I234-M238 PolarHBondContact O-N 3.1Å; V235-M238 PolarHBondContact O-N 3.42Å; M238-R241 WeakPolarHBondContact O-CB 3.23Å; M238-R241 PolarHBondContact O-N 2.91Å; M238-R241 VanDerWaalsContact O-N 3.16Å; M238-A242 PolarHBondContact O-N 2.87Å; M238-A242 VanDerWaalsContact O-N 3.13Å
239	S	94.2	Very high	93.8	Very high	16 Å²	16	16.1 Å²	16.1	11%	0.112	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-47.9	175.3	-63.1	0	0	0	0	111.1	V235 L237 R241 A242 Y243	V235-S239 WeakPolarHBondContact O-CB 3.3Å; V235-S239 PolarHBondContact O-N 3.4Å; V235-S239 PolarHBondContact O-OG 2.67Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 3.05Å; S239-R241 PolarHBondContact O-N 3.11Å; S239-A242 WeakPolarHBondContact O-CB 3.45Å; S239-A242 PolarHBondContact O-N 2.82Å; S239-A242 VanDerWaalsContact O-N 3.1Å; S239-Y243 WeakPolarHBondContact O-CD2 3.19Å; S239-Y243 PolarHBondContact O-N 2.88Å
240	R	94.1	Very high	93.4	Very high	11 Å²	11	19.9 Å²	19.9	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-53.7	-44.6	172.9	-176.9	-149.8	78.4	-155	-7.9	110.9	W60 M69 Y81 A236 L237 A242 Y243 D244	W60-R240 WeakPolarHBondContact O-CD 3.44Å; W60-R240 PolarHBondContact O-NH1 3.36Å; W60-R240 VanDerWaalsContact O-NH1 3.08Å; M69-R240 HydrophobicContact CE-CG 3.72Å; M69-R240 HydrophobicContact SD-CG 3.78Å; Y81-R240 PolarHBondContact OH-NH2 3.17Å; A236-R240 PolarHBondContact O-N 3.01Å; L237-R240 WeakPolarHBondContact O-CB 3.5Å; L237-R240 PolarHBondContact O-N 3Å; R240-A242 PolarHBondContact O-N 3.21Å; R240-Y243 CarbonylContact O-C 3.51Å; R240-Y243 WeakPolarHBondContact O-CA 3.48Å; R240-Y243 VanDerWaalsContact O-CB 3.25Å; R240-Y243 WeakPolarHBondContact O-CB 3.34Å; R240-Y243 PolarHBondContact O-N 3.26Å; R240-D244 IonicContact CZ-OD2 2.76Å; R240-D244 IonicContact NE-OD1 2.75Å; R240-D244 IonicContact NE-OD2 3.41Å; R240-D244 PolarHBondContact NE-OD2 3.48Å; R240-D244 IonicContact NH2-OD2 3.92Å; R240-D244 PolarHBondContact O-N 3.17Å; R240-D244 VanDerWaalsContact O-OD1 3.05Å
241	R	94.6	Very high	93.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.3	-27.5	-178.3	-174.4	55.5	-179.1	130.6	4.4	113.6	Y81 F84 D85 L88 L237 M238 S239 D244 V245 S315	Y81-R241 HydrophobicContact CE2-CB 3.95Å; Y81-R241 HydrophobicContact CE2-CG 4.13Å; Y81-R241 VanDerWaalsContact OH-CD 3.31Å; Y81-R241 WeakPolarHBondContact OH-CD 3.23Å; Y81-R241 WeakPolarHBondContact OH-CG 3.48Å; F84-R241 HydrophobicContact CE1-CB 4.05Å; F84-R241 HydrophobicContact CE1-CG 4.06Å; D85-R241 IonicContact OD1-CZ 3.94Å; D85-R241 VanDerWaalsContact OD1-CZ 3.26Å; D85-R241 IonicContact OD1-NE 2.67Å; D85-R241 PolarHBondContact OD1-NE 3.41Å; D85-R241 IonicContact OD1-NH2 3.18Å; D85-R241 PolarHBondContact OD1-NH2 3.33Å; L88-R241 HydrophobicContact CD2-CG 3.78Å; L237-R241 PolarHBondContact O-N 3.05Å; M238-R241 WeakPolarHBondContact O-CB 3.23Å; M238-R241 PolarHBondContact O-N 2.91Å; M238-R241 VanDerWaalsContact O-N 3.16Å; S239-R241 PolarHBondContact O-N 3.11Å; R241-D244 VanDerWaalsContact CD-OD2 3.28Å; R241-D244 WeakPolarHBondContact CD-OD2 3.5Å; R241-D244 WeakPolarHBondContact O-CB 3.27Å; R241-D244 PolarHBondContact O-N 2.76Å; R241-V245 PolarHBondContact O-N 2.75Å; R241-S315 PolarHBondContact NH1-O 2.83Å; R241-S315 VanDerWaalsContact NH1-O 3.1Å; R241-S315 PolarHBondContact NH2-O 2.68Å
242	A	94.4	Very high	93.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.1	-39.1	167.5	0	0	0	0	0	112.5	V106 M238 S239 R240 V245 A246 V254 L256 L261	V106-A242 HydrophobicContact CB-CB 4.48Å; V106-A242 HydrophobicContact CG2-CB 4.26Å; M238-A242 PolarHBondContact O-N 2.87Å; M238-A242 VanDerWaalsContact O-N 3.13Å; S239-A242 WeakPolarHBondContact O-CB 3.45Å; S239-A242 PolarHBondContact O-N 2.82Å; S239-A242 VanDerWaalsContact O-N 3.1Å; R240-A242 PolarHBondContact O-N 3.21Å; A242-V245 PolarHBondContact O-N 3.16Å; A242-A246 PolarHBondContact O-N 3.09Å; A242-A246 VanDerWaalsContact O-N 3.1Å; A242-V254 HydrophobicContact CB-CG1 4.3Å; A242-L256 HydrophobicContact CB-CD1 4.26Å; A242-L261 HydrophobicContact CB-CD1 4.21Å
243	Y	94.9	Very high	93.2	Very high	11 Å²	11	18.9 Å²	18.9	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-38.8	171.4	-78.7	-102.3	0	0	0	111.9	V62 D67 S239 R240 V245 A246 G247 L261 V263 Y269 L272	V62-Y243 HydrophobicContact CB-CE2 4.39Å; V62-Y243 HydrophobicContact CG1-CE2 4.06Å; V62-Y243 HydrophobicContact CG2-CD1 4.4Å; V62-Y243 HydrophobicContact CG2-CD2 3.83Å; V62-Y243 HydrophobicContact CG2-CE1 4.39Å; V62-Y243 HydrophobicContact CG2-CE2 3.87Å; V62-Y243 HydrophobicContact CG2-CG 4.1Å; D67-Y243 PolarHBondContact OD1-OH 3.23Å; S239-Y243 WeakPolarHBondContact O-CD2 3.19Å; S239-Y243 PolarHBondContact O-N 2.88Å; R240-Y243 CarbonylContact O-C 3.51Å; R240-Y243 WeakPolarHBondContact O-CA 3.48Å; R240-Y243 VanDerWaalsContact O-CB 3.25Å; R240-Y243 WeakPolarHBondContact O-CB 3.34Å; R240-Y243 PolarHBondContact O-N 3.26Å; Y243-V245 VanDerWaalsContact C-N 3.31Å; Y243-V245 PolarHBondContact O-N 2.91Å; Y243-A246 WeakPolarHBondContact O-CB 3.16Å; Y243-A246 PolarHBondContact O-N 3.31Å; Y243-G247 PolarHBondContact O-N 3.34Å; Y243-L261 HydrophobicContact CD1-CD1 4.22Å; Y243-L261 HydrophobicContact CD2-CD1 3.77Å; Y243-L261 HydrophobicContact CD2-CD2 4.11Å; Y243-L261 HydrophobicContact CE1-CD2 4.19Å; Y243-L261 HydrophobicContact CE2-CD1 4.09Å; Y243-L261 HydrophobicContact CE2-CD2 3.55Å; Y243-L261 HydrophobicContact CE2-CG 4.41Å; Y243-L261 HydrophobicContact CG-CD1 3.85Å; Y243-V263 HydrophobicContact CD1-CG2 3.78Å; Y243-V263 HydrophobicContact CE1-CG2 4.32Å; Y243-Y269 WeakPolarHBondContact O-CD2 3.17Å; Y243-L272 HydrophobicContact CD1-CD1 3.54Å; Y243-L272 HydrophobicContact CE1-CD1 4.08Å; Y243-L272 HydrophobicContact CG-CD1 4.43Å
244	D	94.8	Very high	93.4	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	10%	0.098	C	C	.	.	H	α-helix	trans	-56.4	-47	176.7	-61.6	-5.2	0	0	0	110.6	R240 R241 G247 S248 Y269 F312	R240-D244 IonicContact CZ-OD2 2.76Å; R240-D244 IonicContact NE-OD1 2.75Å; R240-D244 IonicContact NE-OD2 3.41Å; R240-D244 PolarHBondContact NE-OD2 3.48Å; R240-D244 IonicContact NH2-OD2 3.92Å; R240-D244 PolarHBondContact O-N 3.17Å; R240-D244 VanDerWaalsContact O-OD1 3.05Å; R241-D244 VanDerWaalsContact CD-OD2 3.28Å; R241-D244 WeakPolarHBondContact CD-OD2 3.5Å; R241-D244 WeakPolarHBondContact O-CB 3.27Å; R241-D244 PolarHBondContact O-N 2.76Å; D244-G247 PolarHBondContact O-N 3.3Å; D244-S248 WeakPolarHBondContact O-CB 3.49Å; D244-S248 PolarHBondContact O-N 3.48Å; D244-S248 PolarHBondContact O-OG 3.03Å; D244-S248 VanDerWaalsContact O-OG 3.14Å; D244-Y269 HydrophobicContact CB-CE2 4.5Å; D244-Y269 PolarHBondContact OD1-OH 3.46Å; D244-F312 HydrophobicContact CB-CE1 3.6Å; D244-F312 HydrophobicContact CB-CZ 3.7Å
245	V	94.6	Very high	93.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.4	-37.6	177.6	171.3	0	0	0	0	112.2	L88 A92 I104 R241 A242 Y243 G247 S248 T249 V254	L88-V245 HydrophobicContact CD2-CB 4.32Å; L88-V245 HydrophobicContact CD2-CG2 3.5Å; L88-V245 HydrophobicContact CG-CG2 3.8Å; A92-V245 HydrophobicContact CB-CG1 4.21Å; I104-V245 HydrophobicContact CD1-CG1 3.93Å; R241-V245 PolarHBondContact O-N 2.75Å; A242-V245 PolarHBondContact O-N 3.16Å; Y243-V245 VanDerWaalsContact C-N 3.31Å; Y243-V245 PolarHBondContact O-N 2.91Å; V245-G247 PolarHBondContact O-N 3.37Å; V245-S248 PolarHBondContact O-N 3.4Å; V245-T249 VanDerWaalsContact O-CB 3.31Å; V245-T249 WeakPolarHBondContact O-CB 3.25Å; V245-T249 PolarHBondContact O-N 2.89Å; V245-T249 PolarHBondContact O-OG1 3.3Å; V245-V254 HydrophobicContact CG1-CG2 4.29Å
246	A	94.1	Very high	93.5	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-34.3	173	0	0	0	0	0	112.1	A242 Y243 V254 L261 V263	A242-A246 PolarHBondContact O-N 3.09Å; A242-A246 VanDerWaalsContact O-N 3.1Å; Y243-A246 WeakPolarHBondContact O-CB 3.16Å; Y243-A246 PolarHBondContact O-N 3.31Å; A246-V254 HydrophobicContact CB-CB 3.84Å; A246-V254 HydrophobicContact CB-CG2 3.66Å; A246-L261 HydrophobicContact CB-CD1 4.23Å; A246-V263 HydrophobicContact CB-CB 3.96Å; A246-V263 HydrophobicContact CB-CG1 4.04Å
247	G	93.3	Very high	93.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-79	-42.2	176.3	0	0	0	0	0	113.9	Y243 D244 V245 G265 F266	Y243-G247 PolarHBondContact O-N 3.34Å; D244-G247 PolarHBondContact O-N 3.3Å; V245-G247 PolarHBondContact O-N 3.37Å; G247-G265 CarbonylContact O-C 3.52Å; G247-F266 VanDerWaalsContact O-CA 3.29Å; G247-F266 WeakPolarHBondContact O-CA 3.18Å; G247-F266 PolarHBondContact O-N 3.07Å; G247-F266 VanDerWaalsContact O-N 3.12Å
248	S	93.5	Very high	93.6	Very high	7 Å²	7	27.6 Å²	27.6	5%	0.049	16%	0.161	C	C	.	.	H	α-helix	trans	-85	-27.3	-171.8	66.8	0	0	0	0	113.9	D244 V245 S315 N365	D244-S248 WeakPolarHBondContact O-CB 3.49Å; D244-S248 PolarHBondContact O-N 3.48Å; D244-S248 PolarHBondContact O-OG 3.03Å; D244-S248 VanDerWaalsContact O-OG 3.14Å; V245-S248 PolarHBondContact O-N 3.4Å; S248-S315 WeakPolarHBondContact OG-CB 3.28Å; S248-S315 PolarHBondContact OG-OG 3.38Å; S248-N365 PolarHBondContact O-ND2 3.01Å; S248-N365 VanDerWaalsContact O-ND2 3.08Å
249	T	91.5	Very high	93.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	19%	0.187	C	C	.	.	S	Bend	trans	-100.3	95.7	-174	-49.1	0	0	0	0	111.3	K95 V245 G251 V252 S315	K95-T249 HydrophobicContact CB-CG2 3.81Å; K95-T249 HydrophobicContact CG-CG2 3.89Å; V245-T249 VanDerWaalsContact O-CB 3.31Å; V245-T249 WeakPolarHBondContact O-CB 3.25Å; V245-T249 PolarHBondContact O-N 2.89Å; V245-T249 PolarHBondContact O-OG1 3.3Å; T249-G251 PolarHBondContact O-N 3.41Å; T249-V252 HydrophobicContact CG2-CB 4.08Å; T249-V252 HydrophobicContact CG2-CG2 3.58Å; T249-V252 PolarHBondContact O-N 2.76Å; T249-S315 PolarHBondContact OG1-OG 3.3Å; T249-S315 VanDerWaalsContact OG1-OG 3.05Å
250	K	86.5	Confident	93.4	Very high	123 Å²	123	39.2 Å²	39.2	54%	0.535	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	128.5	-174.5	-167.2	169.8	-174.4	167.5	0	112.9	K95	K95-K250 VanDerWaalsContact CE-O 3.29Å; K95-K250 WeakPolarHBondContact CE-O 3.33Å
251	G	87.8	Confident	93.3	Very high	51 Å²	51	39 Å²	39	53%	0.526	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	11.7	174.6	0	0	0	0	0	115.3	T249	T249-G251 PolarHBondContact O-N 3.41Å
252	V	93	Very high	93.1	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	23%	0.226	C	C	.	.			trans	-108.1	128.7	179.1	178.1	0	0	0	0	110.3	K95 M101 T102 I104 T249 V254	K95-V252 HydrophobicContact CB-CG2 4.41Å; K95-V252 HydrophobicContact CD-CG2 3.81Å; K95-V252 HydrophobicContact CG-CG2 4.01Å; M101-V252 HydrophobicContact CE-CG1 4.16Å; M101-V252 HydrophobicContact CE-CG2 3.65Å; T102-V252 WeakPolarHBondContact O-CA 3.42Å; I104-V252 HydrophobicContact CB-CG1 4.24Å; I104-V252 HydrophobicContact CD1-CG1 3.89Å; I104-V252 HydrophobicContact CG1-CG1 3.75Å; T249-V252 HydrophobicContact CG2-CB 4.08Å; T249-V252 HydrophobicContact CG2-CG2 3.58Å; T249-V252 PolarHBondContact O-N 2.76Å; V252-V254 HydrophobicContact CG1-CG2 4.42Å
253	K	94.9	Very high	92.9	Very high	101 Å²	101	43.9 Å²	43.9	44%	0.439	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.5	172.7	-65	169.2	-172.7	166.6	0	108.9	T102 C103 I104 Y255	T102-K253 PolarHBondContact O-N 3.03Å; C103-K253 WeakPolarHBondContact CA-O 3.27Å; I104-K253 PolarHBondContact N-O 2.85Å; K253-Y255 HydrophobicContact CB-CE2 4.19Å
254	V	95.9	Very high	92.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.3	177.7	-174.6	0	0	0	0	110.6	I104 A242 V245 A246 V252 L261	I104-V254 HydrophobicContact CB-CG2 4.42Å; I104-V254 CarbonylContact O-C 3.5Å; I104-V254 VanDerWaalsContact O-CA 3.28Å; I104-V254 WeakPolarHBondContact O-CA 3.39Å; A242-V254 HydrophobicContact CB-CG1 4.3Å; V245-V254 HydrophobicContact CG1-CG2 4.29Å; A246-V254 HydrophobicContact CB-CB 3.84Å; A246-V254 HydrophobicContact CB-CG2 3.66Å; V252-V254 HydrophobicContact CG1-CG2 4.42Å; V254-L261 HydrophobicContact CB-CD1 4.13Å; V254-L261 HydrophobicContact CG1-CD1 3.94Å; V254-L261 PolarHBondContact O-N 2.83Å
255	Y	96.7	Very high	92.2	Very high	69 Å²	69	48.1 Å²	48.1	27%	0.271	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.2	172.8	-67.5	-106.6	0	0	0	109.5	I104 K105 V106 K253 K259 R260	I104-Y255 PolarHBondContact O-N 3.17Å; K105-Y255 HydrophobicContact CG-CD2 4.28Å; K105-Y255 HydrophobicContact CG-CG 4.4Å; V106-Y255 PolarHBondContact N-O 2.84Å; K253-Y255 HydrophobicContact CB-CE2 4.19Å; Y255-K259 CarbonylContact C-O 3.59Å; Y255-K259 VanDerWaalsContact CA-O 3.3Å; Y255-K259 WeakPolarHBondContact CA-O 3.32Å; Y255-R260 HydrophobicContact CD1-CB 3.92Å; Y255-R260 HydrophobicContact CE1-CB 3.61Å; Y255-R260 HydrophobicContact CE1-CG 4.21Å; Y255-R260 HydrophobicContact CE2-CG 4.48Å
256	L	95	Very high	92.2	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.12	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.6	172.8	-179.3	64.8	0	0	0	108.7	V106 I108 A242 G258 K259 L261	V106-L256 HydrophobicContact CB-CD1 4.17Å; V106-L256 HydrophobicContact CG1-CD1 4.06Å; V106-L256 CarbonylContact O-C 3.16Å; V106-L256 WeakPolarHBondContact O-CA 3.45Å; I108-L256 HydrophobicContact CD1-CD1 4.12Å; A242-L256 HydrophobicContact CB-CD1 4.26Å; L256-G258 PolarHBondContact O-N 3.24Å; L256-K259 PolarHBondContact N-O 2.83Å; L256-K259 WeakPolarHBondContact O-CB 3.45Å; L256-K259 PolarHBondContact O-N 3.44Å; L256-L261 HydrophobicContact CB-CD2 3.87Å; L256-L261 HydrophobicContact CB-CG 4.44Å
257	N	94.2	Very high	92.1	Very high	88 Å²	88	51.7 Å²	51.7	47%	0.471	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.1	-177.4	-69.3	-4.2	0	0	0	112.7	V106 T107 I108 K259	V106-N257 PolarHBondContact O-N 2.89Å; T107-N257 VanDerWaalsContact CA-OD1 3.28Å; T107-N257 WeakPolarHBondContact CA-OD1 3.25Å; I108-N257 PolarHBondContact N-OD1 3.47Å; I108-N257 PolarHBondContact O-ND2 3.18Å; I108-N257 PolarHBondContact O-OD1 2.81Å; N257-K259 PolarHBondContact O-N 3.44Å
258	G	92.5	Very high	92.1	Very high	65 Å²	65	54.2 Å²	54.2	67%	0.67	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-13.3	-179	0	0	0	0	0	115.5	L256	L256-G258 PolarHBondContact O-N 3.24Å
259	K	92.6	Very high	92.1	Very high	126 Å²	126	54 Å²	54	55%	0.548	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127	176.2	-174.3	-176.2	175.1	-169.5	0	110.6	Y255 L256 N257 L261	Y255-K259 CarbonylContact C-O 3.59Å; Y255-K259 VanDerWaalsContact CA-O 3.3Å; Y255-K259 WeakPolarHBondContact CA-O 3.32Å; L256-K259 PolarHBondContact N-O 2.83Å; L256-K259 WeakPolarHBondContact O-CB 3.45Å; L256-K259 PolarHBondContact O-N 3.44Å; N257-K259 PolarHBondContact O-N 3.44Å; K259-L261 PolarHBondContact O-N 2.76Å
260	R	93	Very high	92.2	Very high	133 Å²	133	53.8 Å²	53.8	50%	0.502	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.3	172.1	-174.5	177.5	171.2	-166.6	-4.4	110.1	Y255	Y255-R260 HydrophobicContact CD1-CB 3.92Å; Y255-R260 HydrophobicContact CE1-CB 3.61Å; Y255-R260 HydrophobicContact CE1-CG 4.21Å; Y255-R260 HydrophobicContact CE2-CG 4.48Å
261	L	92.3	Very high	92.5	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-72.5	139.7	172.3	-56.6	-172	0	0	0	109.9	A242 Y243 A246 V254 L256 K259 V263	A242-L261 HydrophobicContact CB-CD1 4.21Å; Y243-L261 HydrophobicContact CD1-CD1 4.22Å; Y243-L261 HydrophobicContact CD2-CD1 3.77Å; Y243-L261 HydrophobicContact CD2-CD2 4.11Å; Y243-L261 HydrophobicContact CE1-CD2 4.19Å; Y243-L261 HydrophobicContact CE2-CD1 4.09Å; Y243-L261 HydrophobicContact CE2-CD2 3.55Å; Y243-L261 HydrophobicContact CE2-CG 4.41Å; Y243-L261 HydrophobicContact CG-CD1 3.85Å; A246-L261 HydrophobicContact CB-CD1 4.23Å; V254-L261 HydrophobicContact CB-CD1 4.13Å; V254-L261 HydrophobicContact CG1-CD1 3.94Å; V254-L261 PolarHBondContact O-N 2.83Å; L256-L261 HydrophobicContact CB-CD2 3.87Å; L256-L261 HydrophobicContact CB-CG 4.44Å; K259-L261 PolarHBondContact O-N 2.76Å; L261-V263 PolarHBondContact O-N 2.98Å
262	H	89.2	Confident	92.7	Very high	96 Å²	96	48 Å²	48	44%	0.444	25%	0.248	S	C	.	.	S	Bend	trans	-77.1	-4.6	-176.5	66	-119.5	0	0	0	113.4	D67 L272	D67-H262 IonicContact OD1-CE1 3.48Å; D67-H262 PolarHBondContact OD1-CE1 2.85Å; D67-H262 VanDerWaalsContact OD1-CE1 3.27Å; D67-H262 IonicContact OD1-ND1 2.79Å; D67-H262 IonicContact OD2-CE1 3.37Å; D67-H262 PolarHBondContact OD2-CE1 2.95Å; D67-H262 IonicContact OD2-ND1 2.73Å; D67-H262 PolarHBondContact OD2-ND1 3.31Å; H262-L272 WeakPolarHBondContact NE2-CD2 3.47Å
263	V	90.3	Very high	92.6	Very high	6 Å²	6	48 Å²	48	4%	0.036	25%	0.248	C	C	.	.			trans	-78.1	121.4	179.4	178.6	0	0	0	0	109.7	Y243 A246 L261 D268 L272	Y243-V263 HydrophobicContact CD1-CG2 3.78Å; Y243-V263 HydrophobicContact CE1-CG2 4.32Å; A246-V263 HydrophobicContact CB-CB 3.96Å; A246-V263 HydrophobicContact CB-CG1 4.04Å; L261-V263 PolarHBondContact O-N 2.98Å; V263-D268 HydrophobicContact CG1-CB 4.26Å; V263-L272 HydrophobicContact CG2-CD1 3.63Å; V263-L272 HydrophobicContact CG2-CG 4.38Å
264	S	84.5	Confident	92.3	Very high	86 Å²	86	43.3 Å²	43.3	60%	0.601	23%	0.228	S	C	*	.			trans	-107.9	-4.7	178.3	74.4	0	0	0	0	114.7	D268	S264-D268 WeakPolarHBondContact CB-OD2 3.5Å; S264-D268 PolarHBondContact N-OD2 2.92Å; S264-D268 PolarHBondContact OG-OD2 3.29Å
265	G	90.3	Very high	91.6	Very high	17 Å²	17	49.7 Å²	49.7	18%	0.175	26%	0.255	C	S	.	.	S	Bend	trans	175.7	-171.9	174.7	0	0	0	0	0	112.1	G247 R267 D268 Y269	G247-G265 CarbonylContact O-C 3.52Å; G265-R267 VanDerWaalsContact C-N 3.29Å; G265-R267 PolarHBondContact O-N 3.17Å; G265-D268 PolarHBondContact O-N 2.81Å; G265-Y269 PolarHBondContact O-N 3.12Å; G265-Y269 VanDerWaalsContact O-N 3.14Å
266	F	94.4	Very high	90.7	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-33.1	-170.5	-164.4	-125.7	0	0	0	113.4	G247 Y269 I270 Y289 E297 F312 F363 N365	G247-F266 VanDerWaalsContact O-CA 3.29Å; G247-F266 WeakPolarHBondContact O-CA 3.18Å; G247-F266 PolarHBondContact O-N 3.07Å; G247-F266 VanDerWaalsContact O-N 3.12Å; F266-Y269 HydrophobicContact CD2-CD1 4.17Å; F266-Y269 HydrophobicContact CE2-CD1 4.06Å; F266-Y269 HydrophobicContact CE2-CE1 4.48Å; F266-Y269 WeakPolarHBondContact O-CB 3.47Å; F266-Y269 PolarHBondContact O-N 2.81Å; F266-I270 HydrophobicContact CD1-CD1 3.91Å; F266-I270 HydrophobicContact CE1-CD1 3.94Å; F266-I270 HydrophobicContact CE1-CG1 4.49Å; F266-I270 HydrophobicContact CG-CD1 4.46Å; F266-I270 WeakPolarHBondContact O-CD1 3.35Å; F266-I270 VanDerWaalsContact O-CG1 3.27Å; F266-I270 WeakPolarHBondContact O-CG1 3.49Å; F266-I270 PolarHBondContact O-N 3.38Å; F266-Y289 HydrophobicContact CD1-CE2 4.13Å; F266-E297 WeakPolarHBondContact CB-OE2 3.45Å; F266-E297 HydrophobicContact CD1-CB 3.76Å; F266-E297 HydrophobicContact CE1-CB 4.36Å; F266-F312 AromaticContact CE2-CD2 3.76Å; F266-F312 HydrophobicContact CE2-CD2 3.76Å; F266-F312 AromaticContact CE2-CE2 3.91Å; F266-F312 HydrophobicContact CE2-CE2 3.91Å; F266-F363 HydrophobicContact CE1-CB 3.99Å; F266-F363 HydrophobicContact CZ-CB 3.78Å; F266-N365 HydrophobicContact CD1-CB 3.86Å; F266-N365 HydrophobicContact CD2-CB 3.79Å; F266-N365 HydrophobicContact CE1-CB 3.84Å; F266-N365 HydrophobicContact CE2-CB 3.79Å; F266-N365 HydrophobicContact CG-CB 3.85Å; F266-N365 HydrophobicContact CZ-CB 3.81Å
267	R	93.4	Very high	90	Very high	74 Å²	74	56.3 Å²	56.3	28%	0.279	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-48.5	176.5	177.5	62.8	-154.1	177.2	9.5	112.9	G265 Y269 I270 D271 Y289	G265-R267 VanDerWaalsContact C-N 3.29Å; G265-R267 PolarHBondContact O-N 3.17Å; R267-Y269 PolarHBondContact O-N 3.24Å; R267-I270 PolarHBondContact O-N 3.12Å; R267-D271 IonicContact CZ-OD1 2.79Å; R267-D271 IonicContact NE-OD1 3.38Å; R267-D271 PolarHBondContact NE-OD1 3.42Å; R267-D271 IonicContact NH2-OD1 3.05Å; R267-D271 PolarHBondContact NH2-OD1 3.09Å; R267-D271 PolarHBondContact O-N 3.41Å; R267-Y289 HydrophobicContact CB-CD2 4.34Å; R267-Y289 HydrophobicContact CB-CE2 4.12Å
268	D	91.9	Very high	89	Confident	54 Å²	54	56.7 Å²	56.7	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-35	177.8	-64	-15.2	0	0	0	111	V263 S264 G265 D271 L272	V263-D268 HydrophobicContact CG1-CB 4.26Å; S264-D268 WeakPolarHBondContact CB-OD2 3.5Å; S264-D268 PolarHBondContact N-OD2 2.92Å; S264-D268 PolarHBondContact OG-OD2 3.29Å; G265-D268 PolarHBondContact O-N 2.81Å; D268-D271 WeakPolarHBondContact O-CB 3.37Å; D268-D271 PolarHBondContact O-N 2.87Å; D268-L272 PolarHBondContact O-N 3.04Å
269	Y	94.6	Very high	87.9	Confident	1 Å²	1	56 Å²	56	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-40.4	175.5	178.1	-98.4	0	0	0	112	M69 Y243 D244 G265 F266 R267 D271 L272 Y273 V310 F312	M69-Y269 HydrophobicContact CE-CE2 3.76Å; Y243-Y269 WeakPolarHBondContact O-CD2 3.17Å; D244-Y269 HydrophobicContact CB-CE2 4.5Å; D244-Y269 PolarHBondContact OD1-OH 3.46Å; G265-Y269 PolarHBondContact O-N 3.12Å; G265-Y269 VanDerWaalsContact O-N 3.14Å; F266-Y269 HydrophobicContact CD2-CD1 4.17Å; F266-Y269 HydrophobicContact CE2-CD1 4.06Å; F266-Y269 HydrophobicContact CE2-CE1 4.48Å; F266-Y269 WeakPolarHBondContact O-CB 3.47Å; F266-Y269 PolarHBondContact O-N 2.81Å; R267-Y269 PolarHBondContact O-N 3.24Å; Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 3.43Å; Y269-L272 HydrophobicContact CD2-CD1 4.24Å; Y269-L272 WeakPolarHBondContact O-CB 3.48Å; Y269-L272 PolarHBondContact O-N 3.26Å; Y269-Y273 HydrophobicContact CD1-CE2 4.2Å; Y269-Y273 HydrophobicContact CE1-CD2 4.4Å; Y269-Y273 AromaticContact CE1-CE2 3.54Å; Y269-Y273 HydrophobicContact CE1-CE2 3.54Å; Y269-Y273 HydrophobicContact CE2-CE2 4.09Å; Y269-Y273 AromaticContact CZ-CE2 3.47Å; Y269-Y273 VanDerWaalsContact CZ-CE2 3.47Å; Y269-Y273 AromaticContact CZ-CZ 3.97Å; Y269-Y273 WeakPolarHBondContact O-CD2 3.47Å; Y269-Y273 WeakPolarHBondContact OH-CE2 3.43Å; Y269-Y273 PolarHBondContact OH-OH 3.37Å; Y269-V310 HydrophobicContact CE1-CG1 3.96Å; Y269-F312 HydrophobicContact CD1-CE2 4.3Å; Y269-F312 AromaticContact CE1-CE2 3.58Å; Y269-F312 HydrophobicContact CE1-CE2 3.58Å; Y269-F312 AromaticContact CE1-CZ 3.9Å; Y269-F312 HydrophobicContact CE1-CZ 3.9Å; Y269-F312 AromaticContact CZ-CE2 3.98Å; Y269-F312 AromaticContact CZ-CZ 3.8Å
270	I	94.4	Very high	86.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-36.1	175.6	-65.2	155.8	0	0	0	111.5	F266 R267 L272 Y273 T274 I287 Y289 A299 F363	F266-I270 HydrophobicContact CD1-CD1 3.91Å; F266-I270 HydrophobicContact CE1-CD1 3.94Å; F266-I270 HydrophobicContact CE1-CG1 4.49Å; F266-I270 HydrophobicContact CG-CD1 4.46Å; F266-I270 WeakPolarHBondContact O-CD1 3.35Å; F266-I270 VanDerWaalsContact O-CG1 3.27Å; F266-I270 WeakPolarHBondContact O-CG1 3.49Å; F266-I270 PolarHBondContact O-N 3.38Å; R267-I270 PolarHBondContact O-N 3.12Å; I270-L272 PolarHBondContact O-N 3.29Å; I270-Y273 WeakPolarHBondContact O-CB 3.31Å; I270-Y273 PolarHBondContact O-N 3.02Å; I270-T274 HydrophobicContact CG2-CG2 4.2Å; I270-T274 PolarHBondContact O-N 2.99Å; I270-T274 PolarHBondContact O-OG1 2.98Å; I270-I287 HydrophobicContact CG2-CG2 3.92Å; I270-Y289 HydrophobicContact CD1-CD2 3.88Å; I270-Y289 HydrophobicContact CD1-CE2 4.3Å; I270-A299 HydrophobicContact CD1-CB 3.44Å; I270-A299 VanDerWaalsContact CD1-CB 3.44Å; I270-A299 HydrophobicContact CG1-CB 4.46Å; I270-F363 HydrophobicContact CD1-CB 4.08Å; I270-F363 HydrophobicContact CD1-CG 4.39Å; I270-F363 HydrophobicContact CG1-CB 3.94Å; I270-F363 HydrophobicContact CG1-CD1 3.82Å; I270-F363 HydrophobicContact CG1-CD2 4.39Å; I270-F363 HydrophobicContact CG1-CE1 4.44Å; I270-F363 HydrophobicContact CG1-CG 3.8Å; I270-F363 HydrophobicContact CG2-CD1 4.43Å; I270-F363 HydrophobicContact CG2-CD2 4.1Å; I270-F363 HydrophobicContact CG2-CE1 4.4Å; I270-F363 HydrophobicContact CG2-CE2 4.06Å; I270-F363 HydrophobicContact CG2-CG 4.3Å; I270-F363 HydrophobicContact CG2-CZ 4.21Å
271	D	92.1	Very high	85.2	Confident	41 Å²	41	56.6 Å²	56.6	22%	0.219	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-29.5	178.2	-84.5	12.5	0	0	0	111.7	R267 D268 Y269 Y273 T274 K275	R267-D271 IonicContact CZ-OD1 2.79Å; R267-D271 IonicContact NE-OD1 3.38Å; R267-D271 PolarHBondContact NE-OD1 3.42Å; R267-D271 IonicContact NH2-OD1 3.05Å; R267-D271 PolarHBondContact NH2-OD1 3.09Å; R267-D271 PolarHBondContact O-N 3.41Å; D268-D271 WeakPolarHBondContact O-CB 3.37Å; D268-D271 PolarHBondContact O-N 2.87Å; Y269-D271 VanDerWaalsContact C-N 3.3Å; Y269-D271 PolarHBondContact O-N 3.43Å; D271-Y273 PolarHBondContact O-N 3.5Å; D271-T274 PolarHBondContact O-N 3.27Å; D271-K275 HydrophobicContact CB-CB 4.36Å; D271-K275 HydrophobicContact CB-CD 4.4Å; D271-K275 WeakPolarHBondContact O-CB 3.2Å; D271-K275 PolarHBondContact O-N 3.28Å
272	L	91.5	Very high	84.1	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.052	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-29.5	173.9	-68.7	172.9	0	0	0	113.6	D67 M69 Y243 H262 V263 D268 Y269 I270	D67-L272 VanDerWaalsContact O-CD2 3.29Å; D67-L272 WeakPolarHBondContact O-CD2 3.42Å; M69-L272 HydrophobicContact CB-CB 4.5Å; M69-L272 WeakPolarHBondContact CB-O 3.38Å; M69-L272 HydrophobicContact CE-CD1 4.07Å; M69-L272 HydrophobicContact CG-CB 3.71Å; M69-L272 PolarHBondContact N-O 2.91Å; Y243-L272 HydrophobicContact CD1-CD1 3.54Å; Y243-L272 HydrophobicContact CE1-CD1 4.08Å; Y243-L272 HydrophobicContact CG-CD1 4.43Å; H262-L272 WeakPolarHBondContact NE2-CD2 3.47Å; V263-L272 HydrophobicContact CG2-CD1 3.63Å; V263-L272 HydrophobicContact CG2-CG 4.38Å; D268-L272 PolarHBondContact O-N 3.04Å; Y269-L272 HydrophobicContact CD2-CD1 4.24Å; Y269-L272 WeakPolarHBondContact O-CB 3.48Å; Y269-L272 PolarHBondContact O-N 3.26Å; I270-L272 PolarHBondContact O-N 3.29Å
273	Y	91.7	Very high	83.1	Confident	6 Å²	6	64.6 Å²	64.6	2%	0.024	32%	0.324	C	S	.	.	H	α-helix	trans	-85.9	-32.4	178.8	-70.5	-93.1	0	0	0	112.5	W60 M69 Y269 I270 D271 R277 V310 W361 F363	W60-Y273 HydrophobicContact CB-CE1 4.11Å; W60-Y273 AromaticContact CD2-CD1 3.91Å; W60-Y273 HydrophobicContact CD2-CD1 3.91Å; W60-Y273 AromaticContact CD2-CE1 3.57Å; W60-Y273 HydrophobicContact CD2-CE1 3.57Å; W60-Y273 AromaticContact CE3-CD1 3.76Å; W60-Y273 HydrophobicContact CE3-CD1 3.76Å; W60-Y273 AromaticContact CE3-CE1 3.7Å; W60-Y273 HydrophobicContact CE3-CE1 3.7Å; W60-Y273 AromaticContact CG-CE1 3.74Å; W60-Y273 HydrophobicContact CG-CE1 3.74Å; W60-Y273 AromaticContact CH2-CD1 3.96Å; W60-Y273 HydrophobicContact CH2-CD1 3.96Å; W60-Y273 HydrophobicContact CZ2-CD1 4.18Å; W60-Y273 AromaticContact CZ3-CD1 3.74Å; W60-Y273 HydrophobicContact CZ3-CD1 3.74Å; W60-Y273 HydrophobicContact CZ3-CE1 4.18Å; M69-Y273 HydrophobicContact CB-CD1 3.73Å; M69-Y273 HydrophobicContact CB-CD2 4.28Å; M69-Y273 HydrophobicContact CB-CE1 3.79Å; M69-Y273 HydrophobicContact CB-CE2 4.31Å; M69-Y273 HydrophobicContact CB-CG 3.99Å; M69-Y273 HydrophobicContact CE-CE2 4.1Å; M69-Y273 HydrophobicContact CG-CD1 4.11Å; M69-Y273 HydrophobicContact CG-CD2 3.9Å; M69-Y273 HydrophobicContact CG-CE1 3.87Å; M69-Y273 HydrophobicContact CG-CE2 3.62Å; M69-Y273 HydrophobicContact CG-CG 4.13Å; M69-Y273 HydrophobicContact SD-CE1 4.37Å; M69-Y273 HydrophobicContact SD-CE2 4.28Å; Y269-Y273 HydrophobicContact CD1-CE2 4.2Å; Y269-Y273 HydrophobicContact CE1-CD2 4.4Å; Y269-Y273 AromaticContact CE1-CE2 3.54Å; Y269-Y273 HydrophobicContact CE1-CE2 3.54Å; Y269-Y273 HydrophobicContact CE2-CE2 4.09Å; Y269-Y273 AromaticContact CZ-CE2 3.47Å; Y269-Y273 VanDerWaalsContact CZ-CE2 3.47Å; Y269-Y273 AromaticContact CZ-CZ 3.97Å; Y269-Y273 WeakPolarHBondContact O-CD2 3.47Å; Y269-Y273 WeakPolarHBondContact OH-CE2 3.43Å; Y269-Y273 PolarHBondContact OH-OH 3.37Å; I270-Y273 WeakPolarHBondContact O-CB 3.31Å; I270-Y273 PolarHBondContact O-N 3.02Å; D271-Y273 PolarHBondContact O-N 3.5Å; Y273-R277 WeakPolarHBondContact O-CD 3.05Å; Y273-R277 PolarHBondContact O-NE 2.72Å; Y273-V310 HydrophobicContact CE1-CG2 4.08Å; Y273-W361 HydrophobicContact CD1-CH2 4.42Å; Y273-W361 AromaticContact CD1-CZ2 3.86Å; Y273-W361 HydrophobicContact CD1-CZ2 3.86Å; Y273-W361 HydrophobicContact CG-CZ2 4.3Å; Y273-F363 HydrophobicContact CD1-CE1 4.38Å; Y273-F363 AromaticContact CD2-CE1 3.84Å; Y273-F363 HydrophobicContact CD2-CE1 3.84Å; Y273-F363 HydrophobicContact CE2-CE1 4.43Å; Y273-F363 AromaticContact CG-CE1 3.83Å; Y273-F363 HydrophobicContact CG-CE1 3.83Å; Y273-F363 HydrophobicContact CG-CZ 4.16Å
274	T	88.3	Confident	82.6	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.018	35%	0.349	C	S	.	.	H	α-helix	trans	-116.7	-28	-158.7	53.5	0	0	0	0	113.4	I270 D271 N276 R277 I287 T301 F363	I270-T274 HydrophobicContact CG2-CG2 4.2Å; I270-T274 PolarHBondContact O-N 2.99Å; I270-T274 PolarHBondContact O-OG1 2.98Å; D271-T274 PolarHBondContact O-N 3.27Å; T274-N276 PolarHBondContact O-N 2.92Å; T274-R277 WeakPolarHBondContact O-CB 3.11Å; T274-R277 PolarHBondContact O-N 3.2Å; T274-I287 HydrophobicContact CG2-CD1 4.16Å; T274-I287 HydrophobicContact CG2-CG1 4.14Å; T274-I287 WeakPolarHBondContact OG1-CD1 3.39Å; T274-T301 HydrophobicContact CG2-CG2 4.39Å; T274-F363 HydrophobicContact CG2-CE2 4.35Å; T274-F363 HydrophobicContact CG2-CZ 4.21Å
275	K	81.5	Confident	82.5	Confident	136 Å²	136	65.7 Å²	65.7	59%	0.591	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	129.7	-178.1	-163.7	169.9	-173.3	169.1	0	110.2	D271 R277	D271-K275 HydrophobicContact CB-CB 4.36Å; D271-K275 HydrophobicContact CB-CD 4.4Å; D271-K275 WeakPolarHBondContact O-CB 3.2Å; D271-K275 PolarHBondContact O-N 3.28Å; K275-R277 PolarHBondContact O-N 2.87Å
276	N	76.3	Confident	82.4	Confident	156 Å²	156	71.5 Å²	71.5	83%	0.834	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	11.7	-174.8	-46.8	-48.6	0	0	0	115.8	T274	T274-N276 PolarHBondContact O-N 2.92Å
277	R	80.3	Confident	82.3	Confident	74 Å²	74	73.1 Å²	73.1	28%	0.279	36%	0.356	S	S	.	.			trans	-87.8	137.3	164.8	-67.3	-166	-177.8	-152.7	-1.8	110	M69 Y273 T274 K275 L285	M69-R277 PolarHBondContact O-NH2 2.85Å; Y273-R277 WeakPolarHBondContact O-CD 3.05Å; Y273-R277 PolarHBondContact O-NE 2.72Å; T274-R277 WeakPolarHBondContact O-CB 3.11Å; T274-R277 PolarHBondContact O-N 3.2Å; K275-R277 PolarHBondContact O-N 2.87Å; R277-L285 HydrophobicContact CB-CD1 3.7Å; R277-L285 HydrophobicContact CB-CG 4.33Å; R277-L285 PolarHBondContact O-N 3.14Å
278	L	75.1	Confident	82.2	Confident	97 Å²	97	70 Å²	70	51%	0.508	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-104.1	148.2	176.4	-55	175.4	0	0	0	109.4	Q282 Q283 P284	L278-Q282 HydrophobicContact CD1-CB 4.17Å; L278-Q283 CarbonylContact C-O 3.6Å; L278-Q283 WeakPolarHBondContact CA-O 3.48Å; L278-P284 HydrophobicContact CD2-CG 4.3Å
279	D	68.5	Low	82.4	Confident	51 Å²	51	70.8 Å²	70.8	27%	0.273	35%	0.345	S	S	.	.			trans	-73.8	-178.6	168.2	70.4	7.6	0	0	0	111.6	N281 Q282 Q283 L285	D279-N281 PolarHBondContact O-N 3.28Å; D279-N281 VanDerWaalsContact O-N 3.09Å; D279-N281 VanDerWaalsContact OD1-C 3.3Å; D279-N281 VanDerWaalsContact OD1-CA 3.32Å; D279-N281 WeakPolarHBondContact OD1-CA 3.37Å; D279-N281 WeakPolarHBondContact OD1-CB 3.43Å; D279-N281 PolarHBondContact OD1-N 3.46Å; D279-Q282 PolarHBondContact O-N 3.19Å; D279-Q282 PolarHBondContact OD1-N 2.92Å; D279-Q283 PolarHBondContact N-O 2.64Å; D279-Q283 WeakPolarHBondContact OD1-CB 3.47Å; D279-Q283 PolarHBondContact OD1-N 3.46Å; D279-L285 HydrophobicContact CB-CD2 4.15Å
280	E	63.4	Low	82.3	Confident	155 Å²	155	72.3 Å²	72.3	72%	0.724	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.1	177.7	-67.6	-170.2	161.9	0	0	113.5
281	N	65.1	Low	82.3	Confident	115 Å²	115	76.1 Å²	76.1	62%	0.615	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	14.2	179.6	-60.6	-49.8	0	0	0	113	D279 Q283	D279-N281 PolarHBondContact O-N 3.28Å; D279-N281 VanDerWaalsContact O-N 3.09Å; D279-N281 VanDerWaalsContact OD1-C 3.3Å; D279-N281 VanDerWaalsContact OD1-CA 3.32Å; D279-N281 WeakPolarHBondContact OD1-CA 3.37Å; D279-N281 WeakPolarHBondContact OD1-CB 3.43Å; D279-N281 PolarHBondContact OD1-N 3.46Å; N281-Q283 HydrophobicContact CB-CG 4.46Å; N281-Q283 PolarHBondContact O-N 2.87Å
282	Q	69.4	Low	82.2	Confident	155 Å²	155	75.3 Å²	75.3	72%	0.724	37%	0.367	S	S	*	.	S	Bend	trans	59.2	26.3	-175.2	-57.7	-168.3	14.4	0	0	114.2	L278 D279	L278-Q282 HydrophobicContact CD1-CB 4.17Å; D279-Q282 PolarHBondContact O-N 3.19Å; D279-Q282 PolarHBondContact OD1-N 2.92Å
283	Q	69.1	Low	82.2	Confident	116 Å²	116	76.7 Å²	76.7	54%	0.542	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-99.2	146.3	174.7	-63.5	-62.4	-42	0	0	111.1	L278 D279 N281 L285	L278-Q283 CarbonylContact C-O 3.6Å; L278-Q283 WeakPolarHBondContact CA-O 3.48Å; D279-Q283 PolarHBondContact N-O 2.64Å; D279-Q283 WeakPolarHBondContact OD1-CB 3.47Å; D279-Q283 PolarHBondContact OD1-N 3.46Å; N281-Q283 HydrophobicContact CB-CG 4.46Å; N281-Q283 PolarHBondContact O-N 2.87Å; Q283-L285 PolarHBondContact O-N 2.84Å
284	P	78.7	Confident	82.1	Confident	88 Å²	88	82 Å²	82	57%	0.571	41%	0.41	S	S	*	.	B	Isolated β-bridge	trans	-57.6	136.1	174.5	-21.9	32.3	0	0	0	112	L278 K286	L278-P284 HydrophobicContact CD2-CG 4.3Å; P284-K286 PolarHBondContact O-N 3.26Å
285	L	83.7	Confident	82.3	Confident	28 Å²	28	85.2 Å²	85.2	15%	0.147	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-58	126	176.7	-70.8	174.2	0	0	0	111.3	R277 D279 Q283 V302	R277-L285 HydrophobicContact CB-CD1 3.7Å; R277-L285 HydrophobicContact CB-CG 4.33Å; R277-L285 PolarHBondContact O-N 3.14Å; D279-L285 HydrophobicContact CB-CD2 4.15Å; Q283-L285 PolarHBondContact O-N 2.84Å; L285-V302 HydrophobicContact CD2-CG1 3.61Å
286	K	88.1	Confident	83	Confident	139 Å²	139	78.9 Å²	78.9	60%	0.604	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-83.7	122.2	171.8	-69.6	179.6	-176.8	172.1	0	109.3	P284 T301 C405	P284-K286 PolarHBondContact O-N 3.26Å; K286-T301 WeakPolarHBondContact O-CB 3.34Å; K286-T301 PolarHBondContact O-OG1 3.49Å; K286-C405 HydrophobicContact CB-CB 4.08Å
287	I	90.6	Very high	83.9	Confident	36 Å²	36	72.3 Å²	72.3	19%	0.185	36%	0.359	C	S	.	.			trans	-111.9	124.1	-178.2	-50.6	143.4	0	0	0	108.2	I270 T274 A299	I270-I287 HydrophobicContact CG2-CG2 3.92Å; T274-I287 HydrophobicContact CG2-CD1 4.16Å; T274-I287 HydrophobicContact CG2-CG1 4.14Å; T274-I287 WeakPolarHBondContact OG1-CD1 3.39Å; I287-A299 HydrophobicContact CG2-CB 4.22Å
288	V	92.8	Very high	84.6	Confident	10 Å²	10	68.9 Å²	68.9	6%	0.061	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.6	175.1	-170.3	0	0	0	0	107.8	A299 V300 F398 Q401 V402 C405	V288-A299 CarbonylContact O-C 3.34Å; V288-A299 WeakPolarHBondContact O-CA 3.39Å; V288-A299 WeakPolarHBondContact O-CB 3.17Å; V288-V300 PolarHBondContact N-O 3.11Å; V288-V300 PolarHBondContact O-N 3.38Å; V288-F398 HydrophobicContact CB-CE2 4.17Å; V288-F398 HydrophobicContact CG1-CD2 3.53Å; V288-F398 HydrophobicContact CG1-CE2 3.63Å; V288-F398 HydrophobicContact CG1-CG 4.32Å; V288-F398 HydrophobicContact CG1-CZ 4.45Å; V288-Q401 HydrophobicContact CB-CB 4.47Å; V288-Q401 HydrophobicContact CG1-CB 3.54Å; V288-Q401 HydrophobicContact CG2-CB 4.03Å; V288-V402 HydrophobicContact CB-CG2 4.04Å; V288-V402 HydrophobicContact CG1-CG2 4Å; V288-V402 HydrophobicContact CG2-CG2 4.33Å; V288-C405 HydrophobicContact CG2-CB 3.65Å
289	Y	94.9	Very high	85.6	Confident	69 Å²	69	64.2 Å²	64.2	27%	0.271	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.5	-176.1	169.8	-89.3	0	0	0	110.4	F266 R267 I270 E297 L298 A299	F266-Y289 HydrophobicContact CD1-CE2 4.13Å; R267-Y289 HydrophobicContact CB-CD2 4.34Å; R267-Y289 HydrophobicContact CB-CE2 4.12Å; I270-Y289 HydrophobicContact CD1-CD2 3.88Å; I270-Y289 HydrophobicContact CD1-CE2 4.3Å; Y289-E297 HydrophobicContact CE2-CB 4.49Å; Y289-E297 PolarHBondContact OH-OE1 2.89Å; Y289-L298 WeakPolarHBondContact CA-O 3.33Å; Y289-A299 HydrophobicContact CD2-CB 4.14Å
290	E	93.9	Very high	86.8	Confident	34 Å²	34	61.8 Å²	61.8	16%	0.159	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	138.3	172.9	177	172.8	-115.4	0	0	111.2	L298 P394 S395 F398	E290-L298 PolarHBondContact N-O 3.26Å; E290-L298 PolarHBondContact O-N 3.41Å; E290-P394 VanDerWaalsContact OE2-CA 3.25Å; E290-P394 WeakPolarHBondContact OE2-CA 3.28Å; E290-S395 WeakPolarHBondContact OE1-CB 3.46Å; E290-S395 PolarHBondContact OE1-N 2.95Å; E290-S395 PolarHBondContact OE1-OG 3.17Å; E290-S395 PolarHBondContact OE2-N 2.99Å; E290-F398 HydrophobicContact CB-CB 4.2Å; E290-F398 HydrophobicContact CB-CD2 3.32Å; E290-F398 HydrophobicContact CB-CE2 3.86Å; E290-F398 HydrophobicContact CB-CG 3.94Å; E290-F398 HydrophobicContact CG-CB 4.48Å; E290-F398 HydrophobicContact CG-CD2 4.4Å; E290-F398 WeakPolarHBondContact OE2-CB 3.43Å; E290-F398 WeakPolarHBondContact OE2-CG 3.33Å
291	Q	93.6	Very high	88.2	Confident	79 Å²	79	54.4 Å²	54.4	37%	0.369	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	97.2	161	-177.3	177.9	0.7	0	0	107.9	N293 W296 E297	Q291-N293 VanDerWaalsContact C-N 3.29Å; Q291-N293 WeakPolarHBondContact CG-O 3.3Å; Q291-N293 PolarHBondContact NE2-O 2.88Å; Q291-N293 PolarHBondContact O-N 3.18Å; Q291-W296 CarbonylContact C-O 3.51Å; Q291-E297 HydrophobicContact CB-CG 4.1Å; Q291-E297 HydrophobicContact CG-CG 3.8Å
292	C	90.4	Very high	89.4	Confident	24 Å²	24	49.7 Å²	49.7	16%	0.162	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-35.1	-173.2	-54.4	0	0	0	0	112	W296	C292-W296 HydrophobicContact CB-CB 4.22Å; C292-W296 PolarHBondContact N-O 2.91Å
293	N	91.6	Very high	90.2	Very high	40 Å²	40	42.4 Å²	42.4	21%	0.214	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-178.7	173.8	61.3	51.5	0	0	0	109.5	Q291 R295 W296 K391	Q291-N293 VanDerWaalsContact C-N 3.29Å; Q291-N293 WeakPolarHBondContact CG-O 3.3Å; Q291-N293 PolarHBondContact NE2-O 2.88Å; Q291-N293 PolarHBondContact O-N 3.18Å; N293-R295 PolarHBondContact O-N 3.34Å; N293-R295 WeakPolarHBondContact OD1-CA 3.47Å; N293-R295 PolarHBondContact OD1-N 3.44Å; N293-W296 PolarHBondContact N-O 3.33Å; N293-W296 PolarHBondContact O-N 2.77Å; N293-W296 VanDerWaalsContact OD1-CD1 3.31Å; N293-W296 PolarHBondContact OD1-N 3.21Å; N293-W296 VanDerWaalsContact OD1-N 3.09Å; N293-K391 PolarHBondContact ND2-O 2.87Å
294	P	89.1	Confident	90.5	Very high	117 Å²	117	41.9 Å²	41.9	76%	0.76	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.8	179.7	-28.3	37.4	0	0	0	115.6
295	R	92.9	Very high	90.3	Very high	71 Å²	71	44.2 Å²	44.2	27%	0.268	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-1.5	-177.6	-67.2	-170.1	172.7	179.4	-1.4	114.2	N293 C366 L367 E369 G389	N293-R295 PolarHBondContact O-N 3.34Å; N293-R295 WeakPolarHBondContact OD1-CA 3.47Å; N293-R295 PolarHBondContact OD1-N 3.44Å; R295-C366 CarbonylContact O-C 3.51Å; R295-C366 WeakPolarHBondContact O-CA 3.49Å; R295-C366 WeakPolarHBondContact O-CB 3.47Å; R295-L367 HydrophobicContact CB-CB 4.04Å; R295-L367 HydrophobicContact CG-CB 3.96Å; R295-L367 HydrophobicContact CG-CD1 4.42Å; R295-L367 PolarHBondContact O-N 3.1Å; R295-E369 IonicContact CZ-OE1 2.83Å; R295-E369 IonicContact NH1-OE1 2.7Å; R295-E369 PolarHBondContact NH1-OE1 3.22Å; R295-E369 IonicContact NH2-OE1 3.83Å; R295-E369 PolarHBondContact NH2-OE1 3.27Å; R295-G389 PolarHBondContact NH1-O 3.37Å; R295-G389 VanDerWaalsContact NH1-O 3.13Å
296	W	95.1	Very high	90.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	120.7	-176.3	-69.7	84.1	0	0	0	111.7	Q291 C292 N293 H324 A328 V364 C366 I368 F388 S390 C392	Q291-W296 CarbonylContact C-O 3.51Å; C292-W296 HydrophobicContact CB-CB 4.22Å; C292-W296 PolarHBondContact N-O 2.91Å; N293-W296 PolarHBondContact N-O 3.33Å; N293-W296 PolarHBondContact O-N 2.77Å; N293-W296 VanDerWaalsContact OD1-CD1 3.31Å; N293-W296 PolarHBondContact OD1-N 3.21Å; N293-W296 VanDerWaalsContact OD1-N 3.09Å; W296-H324 HydrophobicContact CH2-CB 3.92Å; W296-H324 HydrophobicContact CZ3-CB 4.28Å; W296-A328 HydrophobicContact CZ3-CB 4.48Å; W296-V364 HydrophobicContact CE3-CG1 4.1Å; W296-V364 HydrophobicContact CZ3-CG1 3.95Å; W296-C366 HydrophobicContact CD2-CB 3.66Å; W296-C366 HydrophobicContact CE3-CB 3.5Å; W296-C366 VanDerWaalsContact CE3-CB 3.5Å; W296-C366 HydrophobicContact CG-CB 4.32Å; W296-C366 HydrophobicContact CH2-CB 4.04Å; W296-C366 HydrophobicContact CZ2-CB 4.17Å; W296-C366 HydrophobicContact CZ3-CB 3.71Å; W296-I368 HydrophobicContact CH2-CD1 4.01Å; W296-I368 HydrophobicContact CZ2-CD1 3.57Å; W296-F388 HydrophobicContact CH2-CD2 4.11Å; W296-F388 HydrophobicContact CH2-CE2 4.11Å; W296-F388 AromaticContact CZ2-CD2 3.8Å; W296-F388 HydrophobicContact CZ2-CD2 3.8Å; W296-F388 HydrophobicContact CZ2-CE2 4.29Å; W296-S390 PolarHBondContact NE1-OG 3.4Å; W296-C392 HydrophobicContact CD2-CB 3.6Å; W296-C392 HydrophobicContact CE3-CB 3.6Å; W296-C392 HydrophobicContact CG-CB 4.06Å; W296-C392 HydrophobicContact CH2-CB 4.39Å; W296-C392 HydrophobicContact CZ2-CB 4.4Å; W296-C392 HydrophobicContact CZ3-CB 4Å
297	E	95.2	Very high	90.4	Very high	19 Å²	19	40.4 Å²	40.4	9%	0.089	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.3	166.2	-61.9	171.6	125.7	0	0	109.1	F266 Y289 Q291 V364 N365	F266-E297 WeakPolarHBondContact CB-OE2 3.45Å; F266-E297 HydrophobicContact CD1-CB 3.76Å; F266-E297 HydrophobicContact CE1-CB 4.36Å; Y289-E297 HydrophobicContact CE2-CB 4.49Å; Y289-E297 PolarHBondContact OH-OE1 2.89Å; Q291-E297 HydrophobicContact CB-CG 4.1Å; Q291-E297 HydrophobicContact CG-CG 3.8Å; E297-V364 WeakPolarHBondContact O-CA 3.27Å; E297-N365 HydrophobicContact CB-CB 4.22Å; E297-N365 PolarHBondContact N-O 2.97Å; E297-N365 PolarHBondContact O-N 2.76Å; E297-N365 PolarHBondContact OE2-ND2 2.87Å
298	L	95.3	Very high	90.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.3	-173.5	-179.6	64.2	0	0	0	109.9	Y289 E290 V300 A328 V332 I362 F363 V364 P394 F398	Y289-L298 WeakPolarHBondContact CA-O 3.33Å; E290-L298 PolarHBondContact N-O 3.26Å; E290-L298 PolarHBondContact O-N 3.41Å; L298-V300 HydrophobicContact CD1-CG2 4.48Å; L298-A328 HydrophobicContact CD1-CB 4.32Å; L298-V332 HydrophobicContact CD2-CG2 4.42Å; L298-I362 HydrophobicContact CD1-CD1 3.62Å; L298-I362 HydrophobicContact CD1-CG1 3.63Å; L298-F363 CarbonylContact C-O 3.52Å; L298-F363 WeakPolarHBondContact CA-O 3.26Å; L298-V364 HydrophobicContact CD1-CG2 3.89Å; L298-P394 HydrophobicContact CD2-CB 4.41Å; L298-P394 HydrophobicContact CD2-CG 3.92Å; L298-F398 HydrophobicContact CB-CZ 4.46Å; L298-F398 HydrophobicContact CD2-CD1 4.44Å; L298-F398 HydrophobicContact CD2-CE1 3.49Å; L298-F398 VanDerWaalsContact CD2-CE1 3.49Å; L298-F398 HydrophobicContact CD2-CZ 3.56Å; L298-F398 HydrophobicContact CG-CE1 4.2Å; L298-F398 HydrophobicContact CG-CZ 3.73Å
299	A	95.3	Very high	90.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.4	161.8	0	0	0	0	0	112.5	I270 I287 V288 Y289 I362 F363	I270-A299 HydrophobicContact CD1-CB 3.44Å; I270-A299 VanDerWaalsContact CD1-CB 3.44Å; I270-A299 HydrophobicContact CG1-CB 4.46Å; I287-A299 HydrophobicContact CG2-CB 4.22Å; V288-A299 CarbonylContact O-C 3.34Å; V288-A299 WeakPolarHBondContact O-CA 3.39Å; V288-A299 WeakPolarHBondContact O-CB 3.17Å; Y289-A299 HydrophobicContact CD2-CB 4.14Å; A299-I362 WeakPolarHBondContact O-CA 3.33Å; A299-F363 HydrophobicContact CB-CB 4.14Å; A299-F363 HydrophobicContact CB-CD2 4.4Å; A299-F363 PolarHBondContact N-O 3.02Å; A299-F363 PolarHBondContact O-N 3.39Å
300	V	94.6	Very high	90.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.1	-179.5	176.3	0	0	0	0	109.5	V288 L298 L360 W361 I362 F398 V402 I407	V288-V300 PolarHBondContact N-O 3.11Å; V288-V300 PolarHBondContact O-N 3.38Å; L298-V300 HydrophobicContact CD1-CG2 4.48Å; V300-L360 HydrophobicContact CG1-CD2 3.94Å; V300-W361 WeakPolarHBondContact CA-O 3.4Å; V300-I362 HydrophobicContact CG2-CG1 4.26Å; V300-F398 HydrophobicContact CB-CZ 4.43Å; V300-F398 HydrophobicContact CG2-CE1 4.5Å; V300-F398 HydrophobicContact CG2-CZ 4Å; V300-V402 HydrophobicContact CB-CG2 4.16Å; V300-V402 HydrophobicContact CG1-CG1 3.94Å; V300-V402 HydrophobicContact CG1-CG2 4.46Å; V300-I407 HydrophobicContact CG1-CD1 3.64Å
301	T	92.8	Very high	90.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	175.6	166.6	-165.3	0	0	0	0	110	T274 K286 W361 F363	T274-T301 HydrophobicContact CG2-CG2 4.39Å; K286-T301 WeakPolarHBondContact O-CB 3.34Å; K286-T301 PolarHBondContact O-OG1 3.49Å; T301-W361 HydrophobicContact CG2-CB 3.83Å; T301-W361 HydrophobicContact CG2-CD2 4.39Å; T301-W361 HydrophobicContact CG2-CE3 4.18Å; T301-W361 HydrophobicContact CG2-CG 4.29Å; T301-W361 PolarHBondContact N-O 3.07Å; T301-W361 PolarHBondContact O-N 3.33Å; T301-F363 HydrophobicContact CG2-CE2 4.48Å
302	V	89.9	Confident	90.7	Very high	15 Å²	15	33.1 Å²	33.1	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143	178.2	69.7	0	0	0	0	110.7	L285 I407 C410	L285-V302 HydrophobicContact CD2-CG1 3.61Å; V302-I407 HydrophobicContact CB-CG1 4.35Å; V302-C410 HydrophobicContact CG2-CB 4.18Å
303	S	86.6	Confident	90.9	Very high	3 Å²	3	32 Å²	32	2%	0.021	17%	0.168	C	C	.	.			trans	-114.4	137.4	168.7	-163.4	0	0	0	0	111.6	K305 G306 Q308 H359	S303-K305 PolarHBondContact OG-N 3.1Å; S303-G306 WeakPolarHBondContact CB-O 3.24Å; S303-G306 PolarHBondContact OG-O 3.41Å; S303-Q308 VanDerWaalsContact OG-CD 3.3Å; S303-Q308 PolarHBondContact OG-OE1 3.17Å; S303-H359 PolarHBondContact N-O 2.99Å
304	D	74.6	Confident	90.9	Very high	105 Å²	105	30.1 Å²	30.1	56%	0.561	16%	0.159	S	C	*	.	S	Bend	trans	-92.8	-14.4	172.2	62.1	-29.3	0	0	0	112.5
305	K	75.4	Confident	91.1	Very high	137 Å²	137	24.9 Å²	24.9	60%	0.596	13%	0.125	S	C	*	.	S	Bend	trans	-111.6	27.7	-172.4	-67.3	-176.9	-174.5	-173.8	0	114.2	S303	S303-K305 PolarHBondContact OG-N 3.1Å
306	G	82.8	Confident	91	Very high	28 Å²	28	21.6 Å²	21.6	29%	0.289	11%	0.112	S	C	.	.	S	Bend	trans	84.7	-169.3	-173.7	0	0	0	0	0	112.2	S303 Q308 N358	S303-G306 WeakPolarHBondContact CB-O 3.24Å; S303-G306 PolarHBondContact OG-O 3.41Å; G306-Q308 PolarHBondContact O-N 3.05Å; G306-N358 CarbonylContact C-O 3.54Å; G306-N358 WeakPolarHBondContact CA-O 3.29Å
307	F	90.1	Very high	90.9	Very high	58 Å²	58	22 Å²	22	25%	0.254	12%	0.117	S	C	.	.			trans	-65.6	126.8	179.3	176.9	-115.7	0	0	0	110.9	Q309 I325 L329 K357 N358 L360 I362	F307-Q309 HydrophobicContact CE1-CB 4.03Å; F307-Q309 HydrophobicContact CE1-CG 4.28Å; F307-Q309 HydrophobicContact CZ-CB 3.87Å; F307-I325 HydrophobicContact CE1-CG2 4.38Å; F307-I325 HydrophobicContact CZ-CG2 3.78Å; F307-L329 HydrophobicContact CE2-CD1 3.69Å; F307-L329 HydrophobicContact CZ-CD1 3.71Å; F307-K357 HydrophobicContact CB-CG 4.37Å; F307-K357 WeakPolarHBondContact CB-O 3.31Å; F307-K357 HydrophobicContact CD1-CG 4.42Å; F307-K357 HydrophobicContact CD2-CG 3.59Å; F307-K357 WeakPolarHBondContact CD2-O 3.41Å; F307-K357 HydrophobicContact CE2-CG 3.9Å; F307-K357 HydrophobicContact CG-CG 3.86Å; F307-K357 HydrophobicContact CZ-CG 4.45Å; F307-N358 PolarHBondContact N-O 3.06Å; F307-L360 HydrophobicContact CD2-CB 4.35Å; F307-L360 WeakPolarHBondContact CD2-O 2.96Å; F307-I362 HydrophobicContact CE2-CG2 3.81Å; F307-I362 HydrophobicContact CZ-CG2 3.82Å
308	Q	91.5	Very high	90.8	Very high	22 Å²	22	21.2 Å²	21.2	10%	0.103	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.4	176.2	-68.7	-176.9	-35.1	0	0	110.4	S303 G306 L360 W361 I362	S303-Q308 VanDerWaalsContact OG-CD 3.3Å; S303-Q308 PolarHBondContact OG-OE1 3.17Å; G306-Q308 PolarHBondContact O-N 3.05Å; Q308-L360 PolarHBondContact N-O 2.91Å; Q308-W361 HydrophobicContact CB-CB 4.16Å; Q308-W361 HydrophobicContact CB-CD2 4.08Å; Q308-W361 HydrophobicContact CB-CG 3.66Å; Q308-W361 VanDerWaalsContact O-CA 3.32Å; Q308-W361 WeakPolarHBondContact O-CA 2.97Å; Q308-W361 VanDerWaalsContact OE1-CD2 3.27Å; Q308-W361 VanDerWaalsContact OE1-CE3 3.25Å; Q308-I362 PolarHBondContact O-N 2.76Å
309	Q	94.3	Very high	90.5	Very high	33 Å²	33	24.4 Å²	24.4	15%	0.154	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.6	-179.7	76.3	85	21.5	0	0	111.3	F307 S311 T318 T319 I362	F307-Q309 HydrophobicContact CE1-CB 4.03Å; F307-Q309 HydrophobicContact CE1-CG 4.28Å; F307-Q309 HydrophobicContact CZ-CB 3.87Å; Q309-S311 VanDerWaalsContact OE1-CB 3.31Å; Q309-S311 PolarHBondContact OE1-OG 3.15Å; Q309-T318 PolarHBondContact NE2-O 2.86Å; Q309-T319 PolarHBondContact NE2-O 3.4Å; Q309-I362 CarbonylContact C-O 3.43Å; Q309-I362 VanDerWaalsContact CA-O 3.31Å; Q309-I362 WeakPolarHBondContact CA-O 3.45Å; Q309-I362 HydrophobicContact CB-CG2 3.7Å
310	V	95.3	Very high	90.2	Very high	13 Å²	13	30.9 Å²	30.9	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	113.2	167.9	179.5	0	0	0	0	107	Y269 Y273 F312 I362 F363 V364	Y269-V310 HydrophobicContact CE1-CG1 3.96Å; Y273-V310 HydrophobicContact CE1-CG2 4.08Å; V310-F312 HydrophobicContact CG1-CE2 4.08Å; V310-F312 HydrophobicContact CG1-CZ 4.25Å; V310-I362 PolarHBondContact N-O 2.82Å; V310-F363 HydrophobicContact CB-CD1 3.67Å; V310-F363 HydrophobicContact CB-CE1 3.92Å; V310-F363 HydrophobicContact CG1-CD1 4.25Å; V310-F363 HydrophobicContact CG2-CD1 4.13Å; V310-F363 HydrophobicContact CG2-CE1 3.83Å; V310-F363 CarbonylContact O-C 3.56Å; V310-F363 VanDerWaalsContact O-CA 3.26Å; V310-F363 WeakPolarHBondContact O-CA 3.21Å; V310-V364 PolarHBondContact O-N 2.84Å
311	S	95.7	Very high	90.1	Very high	4 Å²	4	31 Å²	31	3%	0.028	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.1	-174.2	56.6	0	0	0	0	115.5	Q309 T318 H324 I325 V364	Q309-S311 VanDerWaalsContact OE1-CB 3.31Å; Q309-S311 PolarHBondContact OE1-OG 3.15Å; S311-T318 WeakPolarHBondContact CB-OG1 3.47Å; S311-T318 PolarHBondContact O-N 3.43Å; S311-T318 PolarHBondContact O-OG1 2.92Å; S311-T318 PolarHBondContact OG-O 3.36Å; S311-T318 PolarHBondContact OG-OG1 2.69Å; S311-H324 PolarHBondContact OG-NE2 3.19Å; S311-I325 VanDerWaalsContact CB-CD1 3.46Å; S311-V364 CarbonylContact C-O 3.6Å; S311-V364 WeakPolarHBondContact CA-O 3.33Å
312	F	95.7	Very high	90.2	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.7	178.8	-57.1	-74.5	0	0	0	111.1	D244 F266 Y269 V310 I316 A317 V364 C366	D244-F312 HydrophobicContact CB-CE1 3.6Å; D244-F312 HydrophobicContact CB-CZ 3.7Å; F266-F312 AromaticContact CE2-CD2 3.76Å; F266-F312 HydrophobicContact CE2-CD2 3.76Å; F266-F312 AromaticContact CE2-CE2 3.91Å; F266-F312 HydrophobicContact CE2-CE2 3.91Å; Y269-F312 HydrophobicContact CD1-CE2 4.3Å; Y269-F312 AromaticContact CE1-CE2 3.58Å; Y269-F312 HydrophobicContact CE1-CE2 3.58Å; Y269-F312 AromaticContact CE1-CZ 3.9Å; Y269-F312 HydrophobicContact CE1-CZ 3.9Å; Y269-F312 AromaticContact CZ-CE2 3.98Å; Y269-F312 AromaticContact CZ-CZ 3.8Å; V310-F312 HydrophobicContact CG1-CE2 4.08Å; V310-F312 HydrophobicContact CG1-CZ 4.25Å; F312-I316 CarbonylContact C-O 3.5Å; F312-I316 WeakPolarHBondContact CA-O 3.25Å; F312-A317 HydrophobicContact CD1-CB 4.16Å; F312-A317 HydrophobicContact CE1-CB 3.87Å; F312-V364 PolarHBondContact N-O 2.73Å; F312-C366 PolarHBondContact O-N 3.03Å
313	V	94.8	Very high	90.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.8	171.9	176.6	0	0	0	0	107.7	S315 I316 T318 H324 I368 P371 F373 M381	V313-S315 VanDerWaalsContact C-N 3.26Å; V313-S315 PolarHBondContact O-N 3.05Å; V313-I316 PolarHBondContact N-O 3.08Å; V313-I316 WeakPolarHBondContact O-CB 3.17Å; V313-I316 PolarHBondContact O-N 3.46Å; V313-T318 HydrophobicContact CB-CG2 4.22Å; V313-T318 HydrophobicContact CG2-CG2 3.87Å; V313-H324 WeakPolarHBondContact CG2-NE2 3.35Å; V313-I368 HydrophobicContact CG1-CB 3.82Å; V313-I368 HydrophobicContact CG1-CG1 3.69Å; V313-P371 HydrophobicContact CG1-CB 4.01Å; V313-P371 HydrophobicContact CG1-CG 4.34Å; V313-F373 HydrophobicContact CG1-CZ 4.44Å; V313-M381 HydrophobicContact CG1-SD 4.04Å; V313-M381 HydrophobicContact CG2-SD 3.96Å
314	N	92.8	Very high	90.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	45.3	-175.8	-56.3	-11.8	0	0	0	111.8	V157 T158 I316 C366 L367 I368	V157-N314 VanDerWaalsContact C-CG 3.46Å; V157-N314 WeakPolarHBondContact O-CB 3.31Å; V157-N314 PolarHBondContact O-ND2 2.9Å; V157-N314 PolarHBondContact O-OD1 2.72Å; T158-N314 PolarHBondContact O-ND2 2.77Å; T158-N314 VanDerWaalsContact O-ND2 3.1Å; N314-I316 PolarHBondContact O-N 3.43Å; N314-I316 VanDerWaalsContact O-N 3.11Å; N314-C366 PolarHBondContact N-O 3.27Å; N314-L367 VanDerWaalsContact OD1-CA 3.22Å; N314-L367 WeakPolarHBondContact OD1-CA 3.47Å; N314-I368 PolarHBondContact ND2-O 3.37Å; N314-I368 PolarHBondContact OD1-N 2.96Å; N314-I368 PolarHBondContact OD1-O 3.32Å
315	S	92.4	Very high	91.8	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.049	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	3.8	-173.1	-50.6	0	0	0	0	116.3	R241 S248 T249 V313	R241-S315 PolarHBondContact NH1-O 2.83Å; R241-S315 VanDerWaalsContact NH1-O 3.1Å; R241-S315 PolarHBondContact NH2-O 2.68Å; S248-S315 WeakPolarHBondContact OG-CB 3.28Å; S248-S315 PolarHBondContact OG-OG 3.38Å; T249-S315 PolarHBondContact OG1-OG 3.3Å; T249-S315 VanDerWaalsContact OG1-OG 3.05Å; V313-S315 VanDerWaalsContact C-N 3.26Å; V313-S315 PolarHBondContact O-N 3.05Å
316	I	91.4	Very high	92.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.5	171	-60.6	162.7	0	0	0	109.4	V89 G159 F312 V313 N314 T318 F373 K378	V89-I316 HydrophobicContact CG1-CG1 4.1Å; V89-I316 HydrophobicContact CG2-CG1 4.28Å; G159-I316 VanDerWaalsContact CA-CD1 3.43Å; F312-I316 CarbonylContact C-O 3.5Å; F312-I316 WeakPolarHBondContact CA-O 3.25Å; V313-I316 PolarHBondContact N-O 3.08Å; V313-I316 WeakPolarHBondContact O-CB 3.17Å; V313-I316 PolarHBondContact O-N 3.46Å; N314-I316 PolarHBondContact O-N 3.43Å; N314-I316 VanDerWaalsContact O-N 3.11Å; I316-T318 PolarHBondContact O-N 3.43Å; I316-F373 HydrophobicContact CD1-CE2 4.06Å; I316-F373 HydrophobicContact CD1-CZ 3.76Å; I316-K378 HydrophobicContact CD1-CD 3.72Å; I316-K378 HydrophobicContact CG2-CB 3.73Å; I316-K378 HydrophobicContact CG2-CD 4.44Å
317	A	92.4	Very high	93.2	Very high	12 Å²	12	29.2 Å²	29.2	10%	0.099	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	102.4	177.6	0	0	0	0	0	111.6	F312 T319	F312-A317 HydrophobicContact CD1-CB 4.16Å; F312-A317 HydrophobicContact CE1-CB 3.87Å; A317-T319 VanDerWaalsContact C-N 3.33Å; A317-T319 HydrophobicContact CB-CG2 4.46Å; A317-T319 PolarHBondContact O-N 3.28Å; A317-T319 VanDerWaalsContact O-N 3.1Å
318	T	93.2	Very high	93.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.133	C	C	.	.			trans	-86.1	72.3	176.5	45.8	0	0	0	0	110.6	Q309 S311 V313 I316 K320 G321 H324 F373 E379 M381	Q309-T318 PolarHBondContact NE2-O 2.86Å; S311-T318 WeakPolarHBondContact CB-OG1 3.47Å; S311-T318 PolarHBondContact O-N 3.43Å; S311-T318 PolarHBondContact O-OG1 2.92Å; S311-T318 PolarHBondContact OG-O 3.36Å; S311-T318 PolarHBondContact OG-OG1 2.69Å; V313-T318 HydrophobicContact CB-CG2 4.22Å; V313-T318 HydrophobicContact CG2-CG2 3.87Å; I316-T318 PolarHBondContact O-N 3.43Å; T318-K320 PolarHBondContact O-N 3.01Å; T318-G321 PolarHBondContact O-N 2.84Å; T318-H324 PolarHBondContact OG1-CE1 2.94Å; T318-H324 PolarHBondContact OG1-NE2 3.45Å; T318-F373 HydrophobicContact CG2-CE1 3.88Å; T318-E379 CarbonylContact C-O 3.5Å; T318-E379 WeakPolarHBondContact CA-O 3.4Å; T318-E379 WeakPolarHBondContact CB-O 3.27Å; T318-M381 HydrophobicContact CG2-CB 4.48Å
319	T	89	Confident	93.3	Very high	68 Å²	68	25.7 Å²	25.7	42%	0.417	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.2	-174.8	52.4	0	0	0	0	114.1	Q309 A317 E379	Q309-T319 PolarHBondContact NE2-O 3.4Å; A317-T319 VanDerWaalsContact C-N 3.33Å; A317-T319 HydrophobicContact CB-CG2 4.46Å; A317-T319 PolarHBondContact O-N 3.28Å; A317-T319 VanDerWaalsContact O-N 3.1Å; T319-E379 PolarHBondContact N-O 2.73Å
320	K	89.1	Confident	93.1	Very high	136 Å²	136	30.5 Å²	30.5	59%	0.591	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.9	174.7	-72.3	174.1	177.6	152.7	0	113.3	T318 E379 N380	T318-K320 PolarHBondContact O-N 3.01Å; K320-E379 HydrophobicContact CB-CB 4.26Å; K320-E379 HydrophobicContact CD-CB 4.07Å; K320-E379 WeakPolarHBondContact CD-OE2 3.37Å; K320-E379 VanDerWaalsContact CE-OE2 3.24Å; K320-E379 WeakPolarHBondContact CE-OE2 3.14Å; K320-E379 HydrophobicContact CG-CB 4.22Å; K320-E379 PolarHBondContact N-O 2.85Å; K320-E379 IonicContact NZ-OE2 2.88Å; K320-E379 PolarHBondContact NZ-OE2 3.43Å; K320-N380 HydrophobicContact CB-CB 3.95Å
321	G	92.7	Very high	92.7	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.3	-136.5	177.1	0	0	0	0	0	112.4	T318 H324 E379 N380 M381	T318-G321 PolarHBondContact O-N 2.84Å; G321-H324 VanDerWaalsContact C-CE1 3.5Å; G321-H324 PolarHBondContact O-CE1 2.69Å; G321-E379 PolarHBondContact N-O 3.35Å; G321-N380 VanDerWaalsContact O-CA 3.27Å; G321-N380 WeakPolarHBondContact O-CA 3.42Å; G321-N380 PolarHBondContact O-OD1 3.15Å; G321-M381 PolarHBondContact O-N 3.34Å; G321-M381 VanDerWaalsContact O-N 3.1Å
322	G	93.8	Very high	92.4	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.8	-163.6	179.9	0	0	0	0	0	113.2	H324 I325 D326 N380 M381	G322-H324 VanDerWaalsContact C-N 3.27Å; G322-H324 PolarHBondContact O-N 3.45Å; G322-I325 WeakPolarHBondContact O-CB 3.45Å; G322-I325 PolarHBondContact O-N 3.49Å; G322-I325 VanDerWaalsContact O-N 3.11Å; G322-D326 PolarHBondContact O-N 2.99Å; G322-N380 WeakPolarHBondContact CA-OD1 3.35Å; G322-M381 WeakPolarHBondContact CA-O 3.2Å
323	R	94.8	Very high	92.2	Very high	119 Å²	119	31.6 Å²	31.6	45%	0.449	17%	0.165	S	C	.	.	H	α-helix	trans	-65.3	-25	-171.6	-67.1	-165.3	178.5	179.6	2.4	114.5	H327 M381 T382 L383 F388	R323-H327 WeakPolarHBondContact O-CB 3.46Å; R323-H327 PolarHBondContact O-N 3.18Å; R323-M381 HydrophobicContact CB-CE 4.03Å; R323-M381 PolarHBondContact N-O 2.52Å; R323-T382 WeakPolarHBondContact CD-O 3.01Å; R323-T382 PolarHBondContact NE-O 2.86Å; R323-L383 WeakPolarHBondContact CB-O 3.37Å; R323-L383 VanDerWaalsContact CD-O 3.23Å; R323-L383 WeakPolarHBondContact CD-O 3.42Å; R323-F388 HydrophobicContact CB-CZ 4.14Å
324	H	94.9	Very high	92	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-37.6	174.8	55.9	-58.5	0	0	0	111.9	W296 S311 V313 T318 G321 G322 A328 M381 F388	W296-H324 HydrophobicContact CH2-CB 3.92Å; W296-H324 HydrophobicContact CZ3-CB 4.28Å; S311-H324 PolarHBondContact OG-NE2 3.19Å; V313-H324 WeakPolarHBondContact CG2-NE2 3.35Å; T318-H324 PolarHBondContact OG1-CE1 2.94Å; T318-H324 PolarHBondContact OG1-NE2 3.45Å; G321-H324 VanDerWaalsContact C-CE1 3.5Å; G321-H324 PolarHBondContact O-CE1 2.69Å; G322-H324 VanDerWaalsContact C-N 3.27Å; G322-H324 PolarHBondContact O-N 3.45Å; H324-A328 WeakPolarHBondContact O-CB 3.35Å; H324-A328 PolarHBondContact O-N 3.3Å; H324-M381 HydrophobicContact CB-CE 3.59Å; H324-M381 HydrophobicContact CB-SD 4.28Å; H324-M381 VanDerWaalsContact N-CE 3.27Å; H324-F388 HydrophobicContact CB-CE2 4.42Å; H324-F388 HydrophobicContact CB-CZ 4.36Å
325	I	95.4	Very high	91.8	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-47.1	175.6	-67.7	-59.1	0	0	0	110.2	F307 S311 G322 H327 A328 L329 I362 V364	F307-I325 HydrophobicContact CE1-CG2 4.38Å; F307-I325 HydrophobicContact CZ-CG2 3.78Å; S311-I325 VanDerWaalsContact CB-CD1 3.46Å; G322-I325 WeakPolarHBondContact O-CB 3.45Å; G322-I325 PolarHBondContact O-N 3.49Å; G322-I325 VanDerWaalsContact O-N 3.11Å; I325-H327 VanDerWaalsContact C-N 3.32Å; I325-H327 PolarHBondContact O-N 2.78Å; I325-A328 PolarHBondContact O-N 3.33Å; I325-L329 HydrophobicContact CG2-CD1 3.77Å; I325-L329 HydrophobicContact CG2-CG 4.45Å; I325-L329 WeakPolarHBondContact O-CB 3.37Å; I325-L329 WeakPolarHBondContact O-CG 3.21Å; I325-L329 PolarHBondContact O-N 3.1Å; I325-I362 HydrophobicContact CD1-CG2 4.42Å; I325-I362 HydrophobicContact CG2-CG2 4.41Å; I325-V364 HydrophobicContact CD1-CB 3.91Å; I325-V364 HydrophobicContact CD1-CG2 3.5Å
326	D	92.7	Very high	91.6	Very high	85 Å²	85	35.9 Å²	35.9	46%	0.455	19%	0.194	S	C	.	.	H	α-helix	trans	-63	-40.4	179.5	-68	-33.8	0	0	0	111.4	G322 L329 E330 K357	G322-D326 PolarHBondContact O-N 2.99Å; D326-L329 PolarHBondContact O-N 3.32Å; D326-E330 PolarHBondContact O-N 2.96Å; D326-K357 IonicContact OD1-NZ 2.83Å; D326-K357 PolarHBondContact OD1-NZ 3.48Å
327	H	94.6	Very high	91.4	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.134	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-44.7	173.4	-176.9	67.4	0	0	0	112.7	R323 I325 L329 E330 V385 F388 C392	R323-H327 WeakPolarHBondContact O-CB 3.46Å; R323-H327 PolarHBondContact O-N 3.18Å; I325-H327 VanDerWaalsContact C-N 3.32Å; I325-H327 PolarHBondContact O-N 2.78Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 2.76Å; H327-E330 PolarHBondContact O-N 3.41Å; H327-V385 HydrophobicContact CB-CG1 4.44Å; H327-V385 HydrophobicContact CB-CG2 4.02Å; H327-V385 WeakPolarHBondContact ND1-CG1 3.42Å; H327-F388 HydrophobicContact CB-CE2 4.02Å; H327-C392 PolarHBondContact NE2-N 3.28Å; H327-C392 PolarHBondContact NE2-O 3.13Å
328	A	92.9	Very high	91.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-32.7	178.2	0	0	0	0	0	112.6	W296 L298 H324 I325 I362 V364	W296-A328 HydrophobicContact CZ3-CB 4.48Å; L298-A328 HydrophobicContact CD1-CB 4.32Å; H324-A328 WeakPolarHBondContact O-CB 3.35Å; H324-A328 PolarHBondContact O-N 3.3Å; I325-A328 PolarHBondContact O-N 3.33Å; A328-I362 HydrophobicContact CB-CD1 4.19Å; A328-V364 HydrophobicContact CB-CG2 4.16Å
329	L	92	Very high	90.8	Very high	5 Å²	5	41 Å²	41	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-78	-26.6	179.1	-80.6	170.6	0	0	0	113.9	F307 I325 D326 H327 G331 V332 V333 K357 L360 I362	F307-L329 HydrophobicContact CE2-CD1 3.69Å; F307-L329 HydrophobicContact CZ-CD1 3.71Å; I325-L329 HydrophobicContact CG2-CD1 3.77Å; I325-L329 HydrophobicContact CG2-CG 4.45Å; I325-L329 WeakPolarHBondContact O-CB 3.37Å; I325-L329 WeakPolarHBondContact O-CG 3.21Å; I325-L329 PolarHBondContact O-N 3.1Å; D326-L329 PolarHBondContact O-N 3.32Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 2.76Å; L329-G331 PolarHBondContact O-N 3.23Å; L329-V332 PolarHBondContact O-N 2.95Å; L329-V332 VanDerWaalsContact O-N 3.12Å; L329-V333 HydrophobicContact CB-CG2 4.33Å; L329-V333 HydrophobicContact CD2-CG2 4.34Å; L329-V333 WeakPolarHBondContact O-CB 3.43Å; L329-V333 WeakPolarHBondContact O-CG2 3.11Å; L329-V333 PolarHBondContact O-N 3.48Å; L329-K357 HydrophobicContact CD1-CD 3.97Å; L329-K357 HydrophobicContact CD1-CG 4.08Å; L329-L360 HydrophobicContact CD2-CD1 3.54Å; L329-I362 HydrophobicContact CD2-CD1 3.7Å; L329-I362 HydrophobicContact CG-CD1 3.7Å
330	E	89.6	Confident	90.3	Very high	134 Å²	134	37.8 Å²	37.8	63%	0.626	20%	0.198	S	C	*	.	H	α-helix	trans	-53.2	-52	-171.8	-171.6	176.5	-175.5	0	0	111.9	D326 H327 A334	D326-E330 PolarHBondContact O-N 2.96Å; H327-E330 PolarHBondContact O-N 3.41Å; E330-A334 WeakPolarHBondContact O-CB 3.32Å; E330-A334 PolarHBondContact O-N 3.31Å
331	G	86.1	Confident	89.9	Confident	32 Å²	32	36.2 Å²	36.2	33%	0.33	19%	0.192	S	C	.	.	H	α-helix	trans	-66.3	-38.1	178.4	0	0	0	0	0	113.7	L329 K335	L329-G331 PolarHBondContact O-N 3.23Å; G331-K335 WeakPolarHBondContact O-CB 3.19Å; G331-K335 PolarHBondContact O-N 3.2Å
332	V	90.3	Very high	89.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-51.6	179.2	174	0	0	0	0	110.9	L298 L329 K335 V336 L360 F398 L399 V402	L298-V332 HydrophobicContact CD2-CG2 4.42Å; L329-V332 PolarHBondContact O-N 2.95Å; L329-V332 VanDerWaalsContact O-N 3.12Å; V332-K335 PolarHBondContact O-N 3.07Å; V332-V336 WeakPolarHBondContact O-CG2 3.17Å; V332-V336 PolarHBondContact O-N 3.16Å; V332-L360 HydrophobicContact CG1-CD1 4.38Å; V332-F398 HydrophobicContact CG2-CE1 4.06Å; V332-L399 HydrophobicContact CB-CD2 4.49Å; V332-L399 HydrophobicContact CG2-CD2 4.01Å; V332-V402 HydrophobicContact CG1-CG1 3.82Å
333	V	91.4	Very high	87.9	Confident	12 Å²	12	47.3 Å²	47.3	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-42.2	-179.8	173.3	0	0	0	0	110.2	L329 K335 V336 V337 P353 V356 L360	L329-V333 HydrophobicContact CB-CG2 4.33Å; L329-V333 HydrophobicContact CD2-CG2 4.34Å; L329-V333 WeakPolarHBondContact O-CB 3.43Å; L329-V333 WeakPolarHBondContact O-CG2 3.11Å; L329-V333 PolarHBondContact O-N 3.48Å; V333-K335 PolarHBondContact O-N 3.06Å; V333-V336 PolarHBondContact O-N 3Å; V333-V337 HydrophobicContact CG1-CG2 4.2Å; V333-V337 WeakPolarHBondContact O-CB 3.28Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.33Å; V333-V337 PolarHBondContact O-N 2.91Å; V333-P353 HydrophobicContact CG1-CB 3.76Å; V333-V356 HydrophobicContact CG1-CB 4.17Å; V333-V356 HydrophobicContact CG1-CG1 4.48Å; V333-V356 HydrophobicContact CG2-CG1 4.43Å; V333-L360 HydrophobicContact CG2-CD1 3.93Å
334	A	90	Very high	86.3	Confident	58 Å²	58	42.2 Å²	42.2	48%	0.479	22%	0.222	S	C	.	.	H	α-helix	trans	-58.4	-46.8	176.2	0	0	0	0	0	111.8	E330 V337 E338	E330-A334 WeakPolarHBondContact O-CB 3.32Å; E330-A334 PolarHBondContact O-N 3.31Å; A334-V337 PolarHBondContact O-N 3.32Å; A334-E338 WeakPolarHBondContact O-CB 3.42Å; A334-E338 PolarHBondContact O-N 3.34Å
335	K	89.4	Confident	84.3	Confident	40 Å²	40	51.1 Å²	51.1	17%	0.174	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-45.3	177.8	-167.5	80.4	172	-174.5	0	112.1	G331 V332 V333 V337 E338 V339 E396 L399 V403	G331-K335 WeakPolarHBondContact O-CB 3.19Å; G331-K335 PolarHBondContact O-N 3.2Å; V332-K335 PolarHBondContact O-N 3.07Å; V333-K335 PolarHBondContact O-N 3.06Å; K335-V337 VanDerWaalsContact C-N 3.35Å; K335-V337 PolarHBondContact O-N 3.47Å; K335-E338 WeakPolarHBondContact O-CB 3.29Å; K335-E338 PolarHBondContact O-N 3.38Å; K335-V339 WeakPolarHBondContact O-CG2 3.41Å; K335-V339 PolarHBondContact O-N 2.77Å; K335-E396 IonicContact NZ-OE1 3.71Å; K335-E396 PolarHBondContact NZ-OE1 3.24Å; K335-E396 IonicContact NZ-OE2 3.44Å; K335-L399 HydrophobicContact CB-CB 4.41Å; K335-L399 HydrophobicContact CB-CD1 4.44Å; K335-L399 HydrophobicContact CB-CD2 4.26Å; K335-L399 HydrophobicContact CD-CB 4.41Å; K335-L399 HydrophobicContact CD-CD1 4.44Å; K335-L399 HydrophobicContact CG-CB 4.04Å; K335-V403 HydrophobicContact CG-CG2 4.33Å
336	V	87.2	Confident	82.3	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-43.5	178.7	174.5	0	0	0	0	110.6	V332 V333 E338 V339 I340 V356 V403 I407	V332-V336 WeakPolarHBondContact O-CG2 3.17Å; V332-V336 PolarHBondContact O-N 3.16Å; V333-V336 PolarHBondContact O-N 3Å; V336-E338 VanDerWaalsContact C-N 3.35Å; V336-E338 PolarHBondContact O-N 3.29Å; V336-V339 PolarHBondContact O-N 3.06Å; V336-I340 HydrophobicContact CG1-CD1 3.78Å; V336-I340 HydrophobicContact CG1-CG1 4.39Å; V336-I340 VanDerWaalsContact O-CG1 3.24Å; V336-I340 WeakPolarHBondContact O-CG1 3.5Å; V336-I340 PolarHBondContact O-N 3.1Å; V336-V356 HydrophobicContact CB-CG1 3.95Å; V336-V356 HydrophobicContact CG1-CG1 3.65Å; V336-V356 HydrophobicContact CG1-CG2 4.29Å; V336-V403 HydrophobicContact CG2-CG2 4.3Å; V336-I407 HydrophobicContact CG1-CG2 4.41Å
337	V	88	Confident	80.4	Confident	15 Å²	15	59.8 Å²	59.8	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-40.5	175.2	171.7	0	0	0	0	111.5	V333 A334 K335 I340 K341 V356	V333-V337 HydrophobicContact CG1-CG2 4.2Å; V333-V337 WeakPolarHBondContact O-CB 3.28Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.33Å; V333-V337 PolarHBondContact O-N 2.91Å; A334-V337 PolarHBondContact O-N 3.32Å; K335-V337 VanDerWaalsContact C-N 3.35Å; K335-V337 PolarHBondContact O-N 3.47Å; V337-I340 PolarHBondContact O-N 3.06Å; V337-K341 HydrophobicContact CG1-CD 4.1Å; V337-K341 HydrophobicContact CG1-CG 4.41Å; V337-K341 WeakPolarHBondContact O-CB 3.47Å; V337-K341 WeakPolarHBondContact O-CG 3.43Å; V337-K341 PolarHBondContact O-N 3.06Å; V337-V356 HydrophobicContact CG2-CG2 3.76Å
338	E	87.3	Confident	78.7	Confident	76 Å²	76	61.9 Å²	61.9	36%	0.355	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-48.5	176.1	-170.3	-155.2	149.2	0	0	111.5	A334 K335 V336 K341 K342	A334-E338 WeakPolarHBondContact O-CB 3.42Å; A334-E338 PolarHBondContact O-N 3.34Å; K335-E338 WeakPolarHBondContact O-CB 3.29Å; K335-E338 PolarHBondContact O-N 3.38Å; V336-E338 VanDerWaalsContact C-N 3.35Å; V336-E338 PolarHBondContact O-N 3.29Å; E338-K341 PolarHBondContact O-N 3.19Å; E338-K342 PolarHBondContact O-N 3.36Å; E338-K342 WeakPolarHBondContact OE1-CE 3.33Å; E338-K342 IonicContact OE1-NZ 2.9Å; E338-K342 PolarHBondContact OE1-NZ 3.48Å
339	V	84.9	Confident	77.2	Confident	29 Å²	29	64.4 Å²	64.4	18%	0.176	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-46	178.7	175.1	0	0	0	0	110.8	K335 V336 K341 K342 D343 V403 L408	K335-V339 WeakPolarHBondContact O-CG2 3.41Å; K335-V339 PolarHBondContact O-N 2.77Å; V336-V339 PolarHBondContact O-N 3.06Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 3.12Å; V339-K342 PolarHBondContact O-N 2.82Å; V339-K342 VanDerWaalsContact O-N 3.11Å; V339-D343 PolarHBondContact O-N 3.24Å; V339-V403 HydrophobicContact CB-CG1 4.35Å; V339-V403 HydrophobicContact CG1-CG1 3.87Å; V339-V403 HydrophobicContact CG2-CG1 4.25Å; V339-V403 HydrophobicContact CG2-CG2 4.04Å; V339-L408 HydrophobicContact CB-CD1 4.5Å; V339-L408 HydrophobicContact CG1-CD1 4.01Å; V339-L408 HydrophobicContact CG1-CD2 4.09Å
340	I	79.5	Confident	76.1	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-58	-47.4	175.6	-65.6	166.9	0	0	0	109.9	V336 V337 K342 D343 V344 V351 L408 V411 L415	V336-I340 HydrophobicContact CG1-CD1 3.78Å; V336-I340 HydrophobicContact CG1-CG1 4.39Å; V336-I340 VanDerWaalsContact O-CG1 3.24Å; V336-I340 WeakPolarHBondContact O-CG1 3.5Å; V336-I340 PolarHBondContact O-N 3.1Å; V337-I340 PolarHBondContact O-N 3.06Å; I340-K342 VanDerWaalsContact C-N 3.27Å; I340-K342 PolarHBondContact O-N 3.39Å; I340-D343 PolarHBondContact O-N 2.87Å; I340-V344 HydrophobicContact CG2-CB 4.27Å; I340-V344 HydrophobicContact CG2-CG2 3.72Å; I340-V344 WeakPolarHBondContact O-CA 3.46Å; I340-V344 WeakPolarHBondContact O-CB 3.21Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.16Å; I340-V351 HydrophobicContact CG2-CG2 3.73Å; I340-L408 HydrophobicContact CD1-CD1 4.19Å; I340-L408 HydrophobicContact CG1-CD1 3.34Å; I340-V411 HydrophobicContact CD1-CB 4.25Å; I340-V411 HydrophobicContact CD1-CG1 3.59Å; I340-L415 HydrophobicContact CG2-CD1 4.49Å
341	K	80.1	Confident	75.4	Confident	104 Å²	104	64.3 Å²	64.3	45%	0.452	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-35.5	178.3	-78.6	179	178.5	179.8	0	112.8	V337 E338 V339 K345	V337-K341 HydrophobicContact CG1-CD 4.1Å; V337-K341 HydrophobicContact CG1-CG 4.41Å; V337-K341 WeakPolarHBondContact O-CB 3.47Å; V337-K341 WeakPolarHBondContact O-CG 3.43Å; V337-K341 PolarHBondContact O-N 3.06Å; E338-K341 PolarHBondContact O-N 3.19Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 3.12Å; K341-K345 WeakPolarHBondContact O-CG 3.26Å; K341-K345 PolarHBondContact O-N 3.33Å
342	K	76.9	Confident	75.2	Confident	138 Å²	138	69.2 Å²	69.2	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-68.9	-48.1	175.6	-81.3	175.8	172.6	166.5	0	111.8	E338 V339 I340 V344	E338-K342 PolarHBondContact O-N 3.36Å; E338-K342 WeakPolarHBondContact OE1-CE 3.33Å; E338-K342 IonicContact OE1-NZ 2.9Å; E338-K342 PolarHBondContact OE1-NZ 3.48Å; V339-K342 PolarHBondContact O-N 2.82Å; V339-K342 VanDerWaalsContact O-N 3.11Å; I340-K342 VanDerWaalsContact C-N 3.27Å; I340-K342 PolarHBondContact O-N 3.39Å; K342-V344 VanDerWaalsContact C-N 3.33Å; K342-V344 PolarHBondContact O-N 2.72Å
343	D	67.7	Low	75	Confident	111 Å²	111	73.3 Å²	73.3	59%	0.594	39%	0.386	S	S	*	.	H	α-helix	trans	-71.4	-27.7	-179.3	-74.8	-15.3	0	0	0	112.9	V339 I340	V339-D343 PolarHBondContact O-N 3.24Å; I340-D343 PolarHBondContact O-N 2.87Å
344	V	61.4	Low	74.7	Confident	11 Å²	11	77.8 Å²	77.8	7%	0.067	40%	0.404	C	S	.	.	H	α-helix	trans	-103	1	-170.9	175.9	0	0	0	0	114	I340 K342 K346 S347 G348 F349	I340-V344 HydrophobicContact CG2-CB 4.27Å; I340-V344 HydrophobicContact CG2-CG2 3.72Å; I340-V344 WeakPolarHBondContact O-CA 3.46Å; I340-V344 WeakPolarHBondContact O-CB 3.21Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.16Å; K342-V344 VanDerWaalsContact C-N 3.33Å; K342-V344 PolarHBondContact O-N 2.72Å; V344-K346 PolarHBondContact O-N 3.03Å; V344-S347 PolarHBondContact O-N 3.19Å; V344-G348 PolarHBondContact O-N 3.29Å; V344-F349 HydrophobicContact CB-CD2 4.45Å; V344-F349 HydrophobicContact CG1-CB 3.57Å; V344-F349 HydrophobicContact CG1-CD2 3.2Å; V344-F349 HydrophobicContact CG1-CE2 4.17Å; V344-F349 HydrophobicContact CG1-CG 3.69Å; V344-F349 HydrophobicContact CG2-CD2 4.4Å
345	K	54	Low	74.3	Confident	187 Å²	187	75.7 Å²	75.7	81%	0.813	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-20.6	171.5	-101.1	179.9	-179.8	-174.2	0	113.5	K341	K341-K345 WeakPolarHBondContact O-CG 3.26Å; K341-K345 PolarHBondContact O-N 3.33Å
346	K	52.2	Low	74.3	Confident	210 Å²	210	73.8 Å²	73.8	91%	0.913	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.3	172	-69.5	-175.1	177.7	-179.7	0	115.2	V344	V344-K346 PolarHBondContact O-N 3.03Å
347	S	54	Low	74.4	Confident	61 Å²	61	76.3 Å²	76.3	43%	0.427	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-3.6	-172.3	7.4	0	0	0	0	115.9	V344 F349	V344-S347 PolarHBondContact O-N 3.19Å; S347-F349 VanDerWaalsContact CB-CE2 3.44Å; S347-F349 PolarHBondContact O-N 2.85Å
348	G	57.3	Low	74.3	Confident	73 Å²	73	79 Å²	79	75%	0.753	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	13.9	169.3	0	0	0	0	0	116.8	V344	V344-G348 PolarHBondContact O-N 3.29Å
349	F	61.8	Low	74.3	Confident	54 Å²	54	76.8 Å²	76.8	24%	0.237	39%	0.391	C	S	.	.			trans	-82	133.6	-179.4	-43.5	-56.4	0	0	0	112.7	V344 S347 K416 N419	V344-F349 HydrophobicContact CB-CD2 4.45Å; V344-F349 HydrophobicContact CG1-CB 3.57Å; V344-F349 HydrophobicContact CG1-CD2 3.2Å; V344-F349 HydrophobicContact CG1-CE2 4.17Å; V344-F349 HydrophobicContact CG1-CG 3.69Å; V344-F349 HydrophobicContact CG2-CD2 4.4Å; S347-F349 VanDerWaalsContact CB-CE2 3.44Å; S347-F349 PolarHBondContact O-N 2.85Å; F349-K416 HydrophobicContact CE2-CG 4.2Å; F349-K416 HydrophobicContact CZ-CG 4.39Å; F349-N419 WeakPolarHBondContact CD1-ND2 3.41Å
350	N	68	Low	74.6	Confident	133 Å²	133	75.4 Å²	75.4	71%	0.711	38%	0.382	S	S	*	.			trans	-109.1	117.7	172.9	-157.9	6.6	0	0	0	109.9
351	V	75.5	Confident	75.3	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.03	38%	0.383	C	S	.	.			trans	-102.5	128.8	-173.9	-173.5	0	0	0	0	110.2	I340 Q355 V356 L415	I340-V351 HydrophobicContact CG2-CG2 3.73Å; V351-Q355 HydrophobicContact CG1-CB 4.37Å; V351-V356 HydrophobicContact CG1-CG2 3.79Å; V351-L415 HydrophobicContact CB-CD1 4.26Å; V351-L415 HydrophobicContact CG1-CD1 4.06Å; V351-L415 HydrophobicContact CG1-CD2 4.44Å; V351-L415 HydrophobicContact CG2-CD1 3.21Å; V351-L415 HydrophobicContact CG2-CD2 3.94Å; V351-L415 HydrophobicContact CG2-CG 4.21Å
352	K	83	Confident	76	Confident	134 Å²	134	70.6 Å²	70.6	58%	0.583	36%	0.361	S	S	*	.			trans	-89.2	143.1	175.8	-66.8	-176.5	176.3	-173.5	0	110.4	F354 Q355	K352-F354 VanDerWaalsContact C-N 3.29Å; K352-F354 HydrophobicContact CB-CD1 3.76Å; K352-F354 HydrophobicContact CB-CE1 3.76Å; K352-F354 HydrophobicContact CD-CD1 4.41Å; K352-F354 HydrophobicContact CD-CE1 3.81Å; K352-F354 HydrophobicContact CG-CE1 4.4Å; K352-F354 PolarHBondContact O-N 3.03Å; K352-F354 VanDerWaalsContact O-N 3.15Å; K352-Q355 HydrophobicContact CB-CG 4.23Å; K352-Q355 VanDerWaalsContact O-CB 3.28Å; K352-Q355 WeakPolarHBondContact O-CB 3.46Å; K352-Q355 PolarHBondContact O-N 3.48Å
353	P	85.3	Confident	77	Confident	86 Å²	86	64 Å²	64	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-51.3	-40.6	-177.6	-30.9	36.4	0	0	0	115.1	V333 Q355 V356 K357	V333-P353 HydrophobicContact CG1-CB 3.76Å; P353-Q355 PolarHBondContact O-N 3.3Å; P353-V356 PolarHBondContact O-N 3.03Å; P353-K357 PolarHBondContact O-N 2.87Å; P353-K357 VanDerWaalsContact O-N 3.08Å
354	F	84.1	Confident	78.4	Confident	106 Å²	106	58.8 Å²	58.8	47%	0.465	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-26.7	179.3	85.6	-95	0	0	0	113.3	K352 K357 N358	K352-F354 VanDerWaalsContact C-N 3.29Å; K352-F354 HydrophobicContact CB-CD1 3.76Å; K352-F354 HydrophobicContact CB-CE1 3.76Å; K352-F354 HydrophobicContact CD-CD1 4.41Å; K352-F354 HydrophobicContact CD-CE1 3.81Å; K352-F354 HydrophobicContact CG-CE1 4.4Å; K352-F354 PolarHBondContact O-N 3.03Å; K352-F354 VanDerWaalsContact O-N 3.15Å; F354-K357 PolarHBondContact O-N 3.36Å; F354-N358 PolarHBondContact O-N 3.19Å; F354-N358 VanDerWaalsContact O-N 3.13Å
355	Q	83.5	Confident	80	Confident	15 Å²	15	58.9 Å²	58.9	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-40.4	179.9	-62.9	175.9	-36	0	0	110.4	V351 K352 P353 H359 W414	V351-Q355 HydrophobicContact CG1-CB 4.37Å; K352-Q355 HydrophobicContact CB-CG 4.23Å; K352-Q355 VanDerWaalsContact O-CB 3.28Å; K352-Q355 WeakPolarHBondContact O-CB 3.46Å; K352-Q355 PolarHBondContact O-N 3.48Å; P353-Q355 PolarHBondContact O-N 3.3Å; Q355-H359 PolarHBondContact O-CD2 3.46Å; Q355-H359 VanDerWaalsContact O-CD2 3.24Å; Q355-W414 HydrophobicContact CB-CH2 4.16Å; Q355-W414 HydrophobicContact CB-CZ3 3.75Å; Q355-W414 HydrophobicContact CG-CH2 3.84Å; Q355-W414 HydrophobicContact CG-CZ3 3.79Å
356	V	88.2	Confident	82	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-45.9	172.6	-177.6	0	0	0	0	109.9	V333 V336 V337 V351 P353 N358 H359 L360 V411	V333-V356 HydrophobicContact CG1-CB 4.17Å; V333-V356 HydrophobicContact CG1-CG1 4.48Å; V333-V356 HydrophobicContact CG2-CG1 4.43Å; V336-V356 HydrophobicContact CB-CG1 3.95Å; V336-V356 HydrophobicContact CG1-CG1 3.65Å; V336-V356 HydrophobicContact CG1-CG2 4.29Å; V337-V356 HydrophobicContact CG2-CG2 3.76Å; V351-V356 HydrophobicContact CG1-CG2 3.79Å; P353-V356 PolarHBondContact O-N 3.03Å; V356-N358 PolarHBondContact O-N 3.42Å; V356-N358 VanDerWaalsContact O-N 3.17Å; V356-H359 PolarHBondContact O-N 2.88Å; V356-L360 HydrophobicContact CG1-CD1 4.38Å; V356-V411 HydrophobicContact CG2-CG1 4.29Å
357	K	89.6	Confident	84	Confident	54 Å²	54	41.7 Å²	41.7	24%	0.235	23%	0.232	C	C	.	.	H	α-helix	trans	-52.1	-40.8	179.5	-173.4	171.8	178.6	175.3	0	112.2	F307 D326 L329 P353 F354 H359 L360	F307-K357 HydrophobicContact CB-CG 4.37Å; F307-K357 WeakPolarHBondContact CB-O 3.31Å; F307-K357 HydrophobicContact CD1-CG 4.42Å; F307-K357 HydrophobicContact CD2-CG 3.59Å; F307-K357 WeakPolarHBondContact CD2-O 3.41Å; F307-K357 HydrophobicContact CE2-CG 3.9Å; F307-K357 HydrophobicContact CG-CG 3.86Å; F307-K357 HydrophobicContact CZ-CG 4.45Å; D326-K357 IonicContact OD1-NZ 2.83Å; D326-K357 PolarHBondContact OD1-NZ 3.48Å; L329-K357 HydrophobicContact CD1-CD 3.97Å; L329-K357 HydrophobicContact CD1-CG 4.08Å; P353-K357 PolarHBondContact O-N 2.87Å; P353-K357 VanDerWaalsContact O-N 3.08Å; F354-K357 PolarHBondContact O-N 3.36Å; K357-H359 PolarHBondContact O-N 3.43Å; K357-H359 VanDerWaalsContact O-N 3.1Å; K357-L360 WeakPolarHBondContact O-CB 3.32Å; K357-L360 PolarHBondContact O-N 3.02Å
358	N	85.9	Confident	85.9	Confident	71 Å²	71	38.8 Å²	38.8	38%	0.38	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.1	179.8	-76.8	-10.4	0	0	0	115.8	G306 F307 F354 V356	G306-N358 CarbonylContact C-O 3.54Å; G306-N358 WeakPolarHBondContact CA-O 3.29Å; F307-N358 PolarHBondContact N-O 3.06Å; F354-N358 PolarHBondContact O-N 3.19Å; F354-N358 VanDerWaalsContact O-N 3.13Å; V356-N358 PolarHBondContact O-N 3.42Å; V356-N358 VanDerWaalsContact O-N 3.17Å
359	H	88.2	Confident	87.5	Confident	30 Å²	30	36.9 Å²	36.9	14%	0.139	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	7.5	175.5	-67.1	-77.9	0	0	0	112.7	S303 Q355 V356 K357 V411 W414	S303-H359 PolarHBondContact N-O 2.99Å; Q355-H359 PolarHBondContact O-CD2 3.46Å; Q355-H359 VanDerWaalsContact O-CD2 3.24Å; V356-H359 PolarHBondContact O-N 2.88Å; K357-H359 PolarHBondContact O-N 3.43Å; K357-H359 VanDerWaalsContact O-N 3.1Å; H359-V411 HydrophobicContact CB-CG2 3.87Å; H359-W414 AromaticContact CE1-CD1 3.9Å; H359-W414 AromaticContact CE1-CG 3.76Å; H359-W414 AromaticContact NE2-CD1 3.82Å; H359-W414 AromaticContact NE2-CD2 3.66Å; H359-W414 AromaticContact NE2-CG 3.39Å
360	L	91.4	Very high	88.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.9	-177.2	-63	177	0	0	0	111.3	V300 F307 Q308 L329 V332 V333 V356 K357 I407	V300-L360 HydrophobicContact CG1-CD2 3.94Å; F307-L360 HydrophobicContact CD2-CB 4.35Å; F307-L360 WeakPolarHBondContact CD2-O 2.96Å; Q308-L360 PolarHBondContact N-O 2.91Å; L329-L360 HydrophobicContact CD2-CD1 3.54Å; V332-L360 HydrophobicContact CG1-CD1 4.38Å; V333-L360 HydrophobicContact CG2-CD1 3.93Å; V356-L360 HydrophobicContact CG1-CD1 4.38Å; K357-L360 WeakPolarHBondContact O-CB 3.32Å; K357-L360 PolarHBondContact O-N 3.02Å; L360-I407 HydrophobicContact CD2-CD1 3.33Å; L360-I407 HydrophobicContact CD2-CG1 3.89Å; L360-I407 HydrophobicContact CD2-CG2 3.85Å
361	W	93.7	Very high	89.9	Confident	4 Å²	4	29 Å²	29	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.3	159	-166.7	-9.4	0	0	0	108.9	W60 Y273 V300 T301 Q308 F363	W60-W361 AromaticContact CH2-CH2 3.53Å; W60-W361 HydrophobicContact CH2-CH2 3.53Å; W60-W361 AromaticContact CH2-CZ2 3.77Å; W60-W361 HydrophobicContact CH2-CZ2 3.77Å; W60-W361 AromaticContact CZ2-CH2 3.68Å; W60-W361 HydrophobicContact CZ2-CH2 3.68Å; W60-W361 AromaticContact CZ2-CZ2 3.49Å; W60-W361 HydrophobicContact CZ2-CZ2 3.49Å; W60-W361 VanDerWaalsContact CZ2-CZ2 3.49Å; Y273-W361 HydrophobicContact CD1-CH2 4.42Å; Y273-W361 AromaticContact CD1-CZ2 3.86Å; Y273-W361 HydrophobicContact CD1-CZ2 3.86Å; Y273-W361 HydrophobicContact CG-CZ2 4.3Å; V300-W361 WeakPolarHBondContact CA-O 3.4Å; T301-W361 HydrophobicContact CG2-CB 3.83Å; T301-W361 HydrophobicContact CG2-CD2 4.39Å; T301-W361 HydrophobicContact CG2-CE3 4.18Å; T301-W361 HydrophobicContact CG2-CG 4.29Å; T301-W361 PolarHBondContact N-O 3.07Å; T301-W361 PolarHBondContact O-N 3.33Å; Q308-W361 HydrophobicContact CB-CB 4.16Å; Q308-W361 HydrophobicContact CB-CD2 4.08Å; Q308-W361 HydrophobicContact CB-CG 3.66Å; Q308-W361 VanDerWaalsContact O-CA 3.32Å; Q308-W361 WeakPolarHBondContact O-CA 2.97Å; Q308-W361 VanDerWaalsContact OE1-CD2 3.27Å; Q308-W361 VanDerWaalsContact OE1-CE3 3.25Å; W361-F363 AromaticContact CD1-CE2 3.67Å; W361-F363 AromaticContact CD1-CZ 3.86Å; W361-F363 HydrophobicContact CD2-CE2 4.14Å; W361-F363 HydrophobicContact CD2-CZ 4.09Å; W361-F363 AromaticContact CE2-CE2 3.96Å; W361-F363 AromaticContact CE2-CZ 3.48Å; W361-F363 VanDerWaalsContact CE2-CZ 3.48Å; W361-F363 AromaticContact CG-CE2 3.98Å; W361-F363 HydrophobicContact CG-CE2 3.98Å; W361-F363 HydrophobicContact CG-CZ 4.31Å; W361-F363 AromaticContact CZ2-CZ 3.8Å; W361-F363 HydrophobicContact CZ2-CZ 3.8Å; W361-F363 AromaticContact NE1-CE1 3.92Å; W361-F363 AromaticContact NE1-CE2 3.66Å; W361-F363 AromaticContact NE1-CZ 3.32Å; W361-F363 VanDerWaalsContact NE1-CZ 3.32Å
362	I	95.2	Very high	90.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.3	-176.4	-166.3	175.3	0	0	0	112.1	L298 A299 V300 F307 Q308 Q309 V310 I325 A328 L329 V364	L298-I362 HydrophobicContact CD1-CD1 3.62Å; L298-I362 HydrophobicContact CD1-CG1 3.63Å; A299-I362 WeakPolarHBondContact O-CA 3.33Å; V300-I362 HydrophobicContact CG2-CG1 4.26Å; F307-I362 HydrophobicContact CE2-CG2 3.81Å; F307-I362 HydrophobicContact CZ-CG2 3.82Å; Q308-I362 PolarHBondContact O-N 2.76Å; Q309-I362 CarbonylContact C-O 3.43Å; Q309-I362 VanDerWaalsContact CA-O 3.31Å; Q309-I362 WeakPolarHBondContact CA-O 3.45Å; Q309-I362 HydrophobicContact CB-CG2 3.7Å; V310-I362 PolarHBondContact N-O 2.82Å; I325-I362 HydrophobicContact CD1-CG2 4.42Å; I325-I362 HydrophobicContact CG2-CG2 4.41Å; A328-I362 HydrophobicContact CB-CD1 4.19Å; L329-I362 HydrophobicContact CD2-CD1 3.7Å; L329-I362 HydrophobicContact CG-CD1 3.7Å; I362-V364 HydrophobicContact CD1-CG2 3.78Å; I362-V364 HydrophobicContact CG1-CG2 3.81Å
363	F	96.6	Very high	90.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.9	171.4	-60.8	-99.1	0	0	0	108.9	F266 I270 Y273 T274 L298 A299 T301 V310 W361	F266-F363 HydrophobicContact CE1-CB 3.99Å; F266-F363 HydrophobicContact CZ-CB 3.78Å; I270-F363 HydrophobicContact CD1-CB 4.08Å; I270-F363 HydrophobicContact CD1-CG 4.39Å; I270-F363 HydrophobicContact CG1-CB 3.94Å; I270-F363 HydrophobicContact CG1-CD1 3.82Å; I270-F363 HydrophobicContact CG1-CD2 4.39Å; I270-F363 HydrophobicContact CG1-CE1 4.44Å; I270-F363 HydrophobicContact CG1-CG 3.8Å; I270-F363 HydrophobicContact CG2-CD1 4.43Å; I270-F363 HydrophobicContact CG2-CD2 4.1Å; I270-F363 HydrophobicContact CG2-CE1 4.4Å; I270-F363 HydrophobicContact CG2-CE2 4.06Å; I270-F363 HydrophobicContact CG2-CG 4.3Å; I270-F363 HydrophobicContact CG2-CZ 4.21Å; Y273-F363 HydrophobicContact CD1-CE1 4.38Å; Y273-F363 AromaticContact CD2-CE1 3.84Å; Y273-F363 HydrophobicContact CD2-CE1 3.84Å; Y273-F363 HydrophobicContact CE2-CE1 4.43Å; Y273-F363 AromaticContact CG-CE1 3.83Å; Y273-F363 HydrophobicContact CG-CE1 3.83Å; Y273-F363 HydrophobicContact CG-CZ 4.16Å; T274-F363 HydrophobicContact CG2-CE2 4.35Å; T274-F363 HydrophobicContact CG2-CZ 4.21Å; L298-F363 CarbonylContact C-O 3.52Å; L298-F363 WeakPolarHBondContact CA-O 3.26Å; A299-F363 HydrophobicContact CB-CB 4.14Å; A299-F363 HydrophobicContact CB-CD2 4.4Å; A299-F363 PolarHBondContact N-O 3.02Å; A299-F363 PolarHBondContact O-N 3.39Å; T301-F363 HydrophobicContact CG2-CE2 4.48Å; V310-F363 HydrophobicContact CB-CD1 3.67Å; V310-F363 HydrophobicContact CB-CE1 3.92Å; V310-F363 HydrophobicContact CG1-CD1 4.25Å; V310-F363 HydrophobicContact CG2-CD1 4.13Å; V310-F363 HydrophobicContact CG2-CE1 3.83Å; V310-F363 CarbonylContact O-C 3.56Å; V310-F363 VanDerWaalsContact O-CA 3.26Å; V310-F363 WeakPolarHBondContact O-CA 3.21Å; W361-F363 AromaticContact CD1-CE2 3.67Å; W361-F363 AromaticContact CD1-CZ 3.86Å; W361-F363 HydrophobicContact CD2-CE2 4.14Å; W361-F363 HydrophobicContact CD2-CZ 4.09Å; W361-F363 AromaticContact CE2-CE2 3.96Å; W361-F363 AromaticContact CE2-CZ 3.48Å; W361-F363 VanDerWaalsContact CE2-CZ 3.48Å; W361-F363 AromaticContact CG-CE2 3.98Å; W361-F363 HydrophobicContact CG-CE2 3.98Å; W361-F363 HydrophobicContact CG-CZ 4.31Å; W361-F363 AromaticContact CZ2-CZ 3.8Å; W361-F363 HydrophobicContact CZ2-CZ 3.8Å; W361-F363 AromaticContact NE1-CE1 3.92Å; W361-F363 AromaticContact NE1-CE2 3.66Å; W361-F363 AromaticContact NE1-CZ 3.32Å; W361-F363 VanDerWaalsContact NE1-CZ 3.32Å
364	V	96.7	Very high	90.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.9	-177.6	-176.7	0	0	0	0	110.5	W296 E297 L298 V310 S311 F312 I325 A328 I362 C366	W296-V364 HydrophobicContact CE3-CG1 4.1Å; W296-V364 HydrophobicContact CZ3-CG1 3.95Å; E297-V364 WeakPolarHBondContact O-CA 3.27Å; L298-V364 HydrophobicContact CD1-CG2 3.89Å; V310-V364 PolarHBondContact O-N 2.84Å; S311-V364 CarbonylContact C-O 3.6Å; S311-V364 WeakPolarHBondContact CA-O 3.33Å; F312-V364 PolarHBondContact N-O 2.73Å; I325-V364 HydrophobicContact CD1-CB 3.91Å; I325-V364 HydrophobicContact CD1-CG2 3.5Å; A328-V364 HydrophobicContact CB-CG2 4.16Å; I362-V364 HydrophobicContact CD1-CG2 3.78Å; I362-V364 HydrophobicContact CG1-CG2 3.81Å; V364-C366 HydrophobicContact CG1-CB 4.4Å
365	N	96.4	Very high	90.4	Very high	13 Å²	13	24.1 Å²	24.1	7%	0.07	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.9	166.4	-176.1	31.7	0	0	0	108.2	S248 F266 E297	S248-N365 PolarHBondContact O-ND2 3.01Å; S248-N365 VanDerWaalsContact O-ND2 3.08Å; F266-N365 HydrophobicContact CD1-CB 3.86Å; F266-N365 HydrophobicContact CD2-CB 3.79Å; F266-N365 HydrophobicContact CE1-CB 3.84Å; F266-N365 HydrophobicContact CE2-CB 3.79Å; F266-N365 HydrophobicContact CG-CB 3.85Å; F266-N365 HydrophobicContact CZ-CB 3.81Å; E297-N365 HydrophobicContact CB-CB 4.22Å; E297-N365 PolarHBondContact N-O 2.97Å; E297-N365 PolarHBondContact O-N 2.76Å; E297-N365 PolarHBondContact OE2-ND2 2.87Å
366	C	95.4	Very high	90	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.7	-178	65.3	0	0	0	0	115.5	R295 W296 F312 N314 V364	R295-C366 CarbonylContact O-C 3.51Å; R295-C366 WeakPolarHBondContact O-CA 3.49Å; R295-C366 WeakPolarHBondContact O-CB 3.47Å; W296-C366 HydrophobicContact CD2-CB 3.66Å; W296-C366 HydrophobicContact CE3-CB 3.5Å; W296-C366 VanDerWaalsContact CE3-CB 3.5Å; W296-C366 HydrophobicContact CG-CB 4.32Å; W296-C366 HydrophobicContact CH2-CB 4.04Å; W296-C366 HydrophobicContact CZ2-CB 4.17Å; W296-C366 HydrophobicContact CZ3-CB 3.71Å; F312-C366 PolarHBondContact O-N 3.03Å; N314-C366 PolarHBondContact N-O 3.27Å; V364-C366 HydrophobicContact CG1-CB 4.4Å
367	L	93.8	Very high	89.3	Confident	33 Å²	33	26.5 Å²	26.5	17%	0.173	14%	0.141	C	C	.	.			trans	-109.7	112.8	174.2	-62.8	177.5	0	0	0	110	V157 R295 N314	V157-L367 HydrophobicContact CB-CB 4.19Å; V157-L367 HydrophobicContact CG1-CB 4.17Å; R295-L367 HydrophobicContact CB-CB 4.04Å; R295-L367 HydrophobicContact CG-CB 3.96Å; R295-L367 HydrophobicContact CG-CD1 4.42Å; R295-L367 PolarHBondContact O-N 3.1Å; N314-L367 VanDerWaalsContact OD1-CA 3.22Å; N314-L367 WeakPolarHBondContact OD1-CA 3.47Å
368	I	93.9	Very high	89	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.			trans	-114	133.7	-174.1	-59	-61.8	0	0	0	109.6	W296 V313 N314 N370 P371 M381 L383 F388	W296-I368 HydrophobicContact CH2-CD1 4.01Å; W296-I368 HydrophobicContact CZ2-CD1 3.57Å; V313-I368 HydrophobicContact CG1-CB 3.82Å; V313-I368 HydrophobicContact CG1-CG1 3.69Å; N314-I368 PolarHBondContact ND2-O 3.37Å; N314-I368 PolarHBondContact OD1-N 2.96Å; N314-I368 PolarHBondContact OD1-O 3.32Å; I368-N370 PolarHBondContact O-N 3.38Å; I368-P371 HydrophobicContact CB-CB 4.41Å; I368-P371 HydrophobicContact CG2-CB 4.08Å; I368-M381 HydrophobicContact CG1-SD 4.16Å; I368-M381 HydrophobicContact CG2-SD 4.22Å; I368-L383 HydrophobicContact CG2-CD2 3.64Å; I368-F388 HydrophobicContact CD1-CB 3.9Å; I368-F388 HydrophobicContact CD1-CD1 4.16Å; I368-F388 HydrophobicContact CD1-CD2 3.98Å; I368-F388 HydrophobicContact CD1-CG 3.77Å; I368-F388 HydrophobicContact CG2-CD1 4.09Å
369	E	92.1	Very high	89	Confident	33 Å²	33	22.6 Å²	22.6	15%	0.154	12%	0.121	C	C	.	.	S	Bend	trans	-72.6	124.1	174.8	-70.5	176.6	-171.3	0	0	110.7	K155 K156 V157 R295 L383 F388 G389	K155-E369 HydrophobicContact CB-CB 4.38Å; K155-E369 HydrophobicContact CB-CG 3.97Å; K156-E369 WeakPolarHBondContact O-CA 3.31Å; V157-E369 HydrophobicContact CG1-CG 4.17Å; R295-E369 IonicContact CZ-OE1 2.83Å; R295-E369 IonicContact NH1-OE1 2.7Å; R295-E369 PolarHBondContact NH1-OE1 3.22Å; R295-E369 IonicContact NH2-OE1 3.83Å; R295-E369 PolarHBondContact NH2-OE1 3.27Å; E369-L383 WeakPolarHBondContact O-CD2 3.03Å; E369-F388 PolarHBondContact N-O 3.07Å; E369-G389 VanDerWaalsContact CD-CA 3.48Å; E369-G389 WeakPolarHBondContact OE2-CA 3.35Å
370	N	88.2	Confident	89.2	Confident	18 Å²	18	23.2 Å²	23.2	10%	0.096	13%	0.126	C	C	.	.	S	Bend	trans	46.1	59	174.4	-61.9	-8	0	0	0	113.1	D152 K156 R161 I368	D152-N370 PolarHBondContact O-ND2 2.91Å; K156-N370 PolarHBondContact N-OD1 2.92Å; K156-N370 VanDerWaalsContact N-OD1 3.16Å; K156-N370 PolarHBondContact O-N 3.38Å; K156-N370 PolarHBondContact O-OD1 2.89Å; R161-N370 PolarHBondContact NH1-OD1 2.98Å; I368-N370 PolarHBondContact O-N 3.38Å
371	P	90.2	Very high	89.3	Confident	3 Å²	3	23.3 Å²	23.3	2%	0.019	13%	0.126	C	C	.	.			trans	-62.5	148.6	-175.4	28.7	-36.2	0	0	0	111.9	V313 I368 F373	V313-P371 HydrophobicContact CG1-CB 4.01Å; V313-P371 HydrophobicContact CG1-CG 4.34Å; I368-P371 HydrophobicContact CB-CB 4.41Å; I368-P371 HydrophobicContact CG2-CB 4.08Å; P371-F373 HydrophobicContact CB-CE2 3.85Å; P371-F373 HydrophobicContact CB-CZ 3.88Å; P371-F373 HydrophobicContact CG-CE2 3.94Å; P371-F373 HydrophobicContact CG-CZ 4.12Å
372	T	89.3	Confident	89.3	Confident	58 Å²	58	25.5 Å²	25.5	36%	0.356	14%	0.14	S	C	.	.			trans	-119.4	147.3	172.5	54.7	0	0	0	0	109.7	M381 T382 L383	T372-M381 CarbonylContact O-C 3.55Å; T372-M381 WeakPolarHBondContact O-CA 3.43Å; T372-M381 VanDerWaalsContact O-CG 3.31Å; T372-M381 WeakPolarHBondContact O-CG 3.39Å; T372-T382 VanDerWaalsContact C-OG1 3.28Å; T372-T382 PolarHBondContact O-N 3.31Å; T372-T382 PolarHBondContact O-OG1 3.48Å; T372-T382 PolarHBondContact OG1-OG1 2.91Å; T372-L383 HydrophobicContact CG2-CD1 4.15Å; T372-L383 VanDerWaalsContact OG1-CA 3.23Å; T372-L383 WeakPolarHBondContact OG1-CA 3.32Å; T372-L383 WeakPolarHBondContact OG1-CB 3.09Å; T372-L383 PolarHBondContact OG1-N 3.27Å; T372-L383 VanDerWaalsContact OG1-N 3.16Å
373	F	88.1	Confident	89.2	Confident	36 Å²	36	26.3 Å²	26.3	16%	0.158	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-132.4	159.7	-175.7	-56.8	-88.6	0	0	0	110.3	V313 I316 T318 P371 S375 K378 N380 M381 T382	V313-F373 HydrophobicContact CG1-CZ 4.44Å; I316-F373 HydrophobicContact CD1-CE2 4.06Å; I316-F373 HydrophobicContact CD1-CZ 3.76Å; T318-F373 HydrophobicContact CG2-CE1 3.88Å; P371-F373 HydrophobicContact CB-CE2 3.85Å; P371-F373 HydrophobicContact CB-CZ 3.88Å; P371-F373 HydrophobicContact CG-CE2 3.94Å; P371-F373 HydrophobicContact CG-CZ 4.12Å; F373-S375 VanDerWaalsContact C-N 3.27Å; F373-S375 PolarHBondContact O-N 3.27Å; F373-K378 HydrophobicContact CB-CB 4.33Å; F373-K378 HydrophobicContact CB-CG 4.44Å; F373-K378 HydrophobicContact CD1-CB 3.76Å; F373-K378 HydrophobicContact CD1-CG 4.49Å; F373-K378 HydrophobicContact CD2-CB 3.92Å; F373-K378 HydrophobicContact CD2-CD 4.21Å; F373-K378 HydrophobicContact CD2-CG 3.77Å; F373-K378 HydrophobicContact CE1-CB 3.98Å; F373-K378 HydrophobicContact CE2-CB 4.14Å; F373-K378 HydrophobicContact CE2-CD 4.1Å; F373-K378 HydrophobicContact CE2-CG 4.12Å; F373-K378 HydrophobicContact CG-CB 3.73Å; F373-K378 HydrophobicContact CG-CG 3.99Å; F373-K378 HydrophobicContact CZ-CB 4.17Å; F373-N380 VanDerWaalsContact CA-O 3.27Å; F373-N380 WeakPolarHBondContact CA-O 3.37Å; F373-M381 HydrophobicContact CD1-CB 4.11Å; F373-M381 HydrophobicContact CD1-CG 4.43Å; F373-M381 HydrophobicContact CE1-CB 4.04Å; F373-M381 HydrophobicContact CE1-CG 4.2Å; F373-T382 PolarHBondContact N-OG1 2.9Å
374	D	83.1	Confident	89	Confident	85 Å²	85	28.4 Å²	28.4	46%	0.455	16%	0.158	S	C	.	.	S	Bend	trans	-71	-22.6	179	63.2	-3.5	0	0	0	114	N380 T382	D374-N380 PolarHBondContact N-O 2.94Å; D374-N380 VanDerWaalsContact N-O 3.17Å; D374-N380 VanDerWaalsContact OD2-CB 3.27Å; D374-N380 WeakPolarHBondContact OD2-CB 3.3Å; D374-N380 PolarHBondContact OD2-ND2 3.11Å; D374-T382 HydrophobicContact CB-CG2 3.97Å
375	S	79.5	Confident	88.8	Confident	50 Å²	50	31 Å²	31	35%	0.35	17%	0.174	S	C	.	.	S	Bend	trans	-153.4	165	-172.9	59.3	0	0	0	0	110.8	F373 T377 K378	F373-S375 VanDerWaalsContact C-N 3.27Å; F373-S375 PolarHBondContact O-N 3.27Å; S375-T377 PolarHBondContact O-N 3.07Å; S375-T377 PolarHBondContact OG-OG1 3.35Å; S375-K378 PolarHBondContact O-N 2.8Å; S375-K378 VanDerWaalsContact O-N 3.13Å
376	Q	73.6	Confident	88.6	Confident	36 Å²	36	39.6 Å²	39.6	17%	0.168	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.5	179.6	-174.4	56.1	30.6	0	0	113	Y48 K82 N162 K378	Y48-Q376 WeakPolarHBondContact O-CG 3.1Å; K82-Q376 VanDerWaalsContact CE-O 3.25Å; K82-Q376 WeakPolarHBondContact CE-O 3.42Å; N162-Q376 PolarHBondContact ND2-OE1 2.78Å; Q376-K378 WeakPolarHBondContact O-CG 3.36Å; Q376-K378 PolarHBondContact O-N 2.86Å
377	T	73.8	Confident	88.5	Confident	29 Å²	29	42.1 Å²	42.1	18%	0.178	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.9	173.1	59.7	0	0	0	0	112.1	K82 S375 E379	K82-T377 PolarHBondContact NZ-O 2.95Å; S375-T377 PolarHBondContact O-N 3.07Å; S375-T377 PolarHBondContact OG-OG1 3.35Å; T377-E379 VanDerWaalsContact C-N 3.34Å
378	K	84.1	Confident	88.4	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.026	22%	0.22	C	C	.	.			trans	63.3	33.1	177.1	-50.4	175.8	-164.9	158.9	0	114	E86 G159 I316 F373 S375 Q376	E86-K378 WeakPolarHBondContact OE1-CE 3.32Å; E86-K378 IonicContact OE1-NZ 3.06Å; E86-K378 PolarHBondContact OE1-NZ 3.36Å; E86-K378 IonicContact OE2-NZ 2.74Å; E86-K378 PolarHBondContact OE2-NZ 3.46Å; G159-K378 PolarHBondContact O-NZ 3.15Å; G159-K378 VanDerWaalsContact O-NZ 3.07Å; I316-K378 HydrophobicContact CD1-CD 3.72Å; I316-K378 HydrophobicContact CG2-CB 3.73Å; I316-K378 HydrophobicContact CG2-CD 4.44Å; F373-K378 HydrophobicContact CB-CB 4.33Å; F373-K378 HydrophobicContact CB-CG 4.44Å; F373-K378 HydrophobicContact CD1-CB 3.76Å; F373-K378 HydrophobicContact CD1-CG 4.49Å; F373-K378 HydrophobicContact CD2-CB 3.92Å; F373-K378 HydrophobicContact CD2-CD 4.21Å; F373-K378 HydrophobicContact CD2-CG 3.77Å; F373-K378 HydrophobicContact CE1-CB 3.98Å; F373-K378 HydrophobicContact CE2-CB 4.14Å; F373-K378 HydrophobicContact CE2-CD 4.1Å; F373-K378 HydrophobicContact CE2-CG 4.12Å; F373-K378 HydrophobicContact CG-CB 3.73Å; F373-K378 HydrophobicContact CG-CG 3.99Å; F373-K378 HydrophobicContact CZ-CB 4.17Å; S375-K378 PolarHBondContact O-N 2.8Å; S375-K378 VanDerWaalsContact O-N 3.13Å; Q376-K378 WeakPolarHBondContact O-CG 3.36Å; Q376-K378 PolarHBondContact O-N 2.86Å
379	E	86.3	Confident	88.3	Confident	37 Å²	37	42.6 Å²	42.6	17%	0.173	24%	0.241	C	C	.	.			trans	-81.7	-23.4	-177.9	-65.2	178.3	157.4	0	0	113.6	T318 T319 K320 G321 T377	T318-E379 CarbonylContact C-O 3.5Å; T318-E379 WeakPolarHBondContact CA-O 3.4Å; T318-E379 WeakPolarHBondContact CB-O 3.27Å; T319-E379 PolarHBondContact N-O 2.73Å; K320-E379 HydrophobicContact CB-CB 4.26Å; K320-E379 HydrophobicContact CD-CB 4.07Å; K320-E379 WeakPolarHBondContact CD-OE2 3.37Å; K320-E379 VanDerWaalsContact CE-OE2 3.24Å; K320-E379 WeakPolarHBondContact CE-OE2 3.14Å; K320-E379 HydrophobicContact CG-CB 4.22Å; K320-E379 PolarHBondContact N-O 2.85Å; K320-E379 IonicContact NZ-OE2 2.88Å; K320-E379 PolarHBondContact NZ-OE2 3.43Å; G321-E379 PolarHBondContact N-O 3.35Å; T377-E379 VanDerWaalsContact C-N 3.34Å
380	N	91.1	Very high	88.3	Confident	44 Å²	44	42.2 Å²	42.2	24%	0.235	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.1	-176.6	172.9	35.1	0	0	0	111.8	K320 G321 G322 F373 D374	K320-N380 HydrophobicContact CB-CB 3.95Å; G321-N380 VanDerWaalsContact O-CA 3.27Å; G321-N380 WeakPolarHBondContact O-CA 3.42Å; G321-N380 PolarHBondContact O-OD1 3.15Å; G322-N380 WeakPolarHBondContact CA-OD1 3.35Å; F373-N380 VanDerWaalsContact CA-O 3.27Å; F373-N380 WeakPolarHBondContact CA-O 3.37Å; D374-N380 PolarHBondContact N-O 2.94Å; D374-N380 VanDerWaalsContact N-O 3.17Å; D374-N380 VanDerWaalsContact OD2-CB 3.27Å; D374-N380 WeakPolarHBondContact OD2-CB 3.3Å; D374-N380 PolarHBondContact OD2-ND2 3.11Å
381	M	93.8	Very high	88.5	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.5	-175.7	-168.5	-159	71.8	0	0	112.1	V313 T318 G321 G322 R323 H324 I368 T372 F373 L383 F388	V313-M381 HydrophobicContact CG1-SD 4.04Å; V313-M381 HydrophobicContact CG2-SD 3.96Å; T318-M381 HydrophobicContact CG2-CB 4.48Å; G321-M381 PolarHBondContact O-N 3.34Å; G321-M381 VanDerWaalsContact O-N 3.1Å; G322-M381 WeakPolarHBondContact CA-O 3.2Å; R323-M381 HydrophobicContact CB-CE 4.03Å; R323-M381 PolarHBondContact N-O 2.52Å; H324-M381 HydrophobicContact CB-CE 3.59Å; H324-M381 HydrophobicContact CB-SD 4.28Å; H324-M381 VanDerWaalsContact N-CE 3.27Å; I368-M381 HydrophobicContact CG1-SD 4.16Å; I368-M381 HydrophobicContact CG2-SD 4.22Å; T372-M381 CarbonylContact O-C 3.55Å; T372-M381 WeakPolarHBondContact O-CA 3.43Å; T372-M381 VanDerWaalsContact O-CG 3.31Å; T372-M381 WeakPolarHBondContact O-CG 3.39Å; F373-M381 HydrophobicContact CD1-CB 4.11Å; F373-M381 HydrophobicContact CD1-CG 4.43Å; F373-M381 HydrophobicContact CE1-CB 4.04Å; F373-M381 HydrophobicContact CE1-CG 4.2Å; M381-L383 HydrophobicContact CG-CB 4.5Å; M381-F388 HydrophobicContact CE-CD1 4.4Å; M381-F388 HydrophobicContact CE-CE1 3.33Å; M381-F388 HydrophobicContact CE-CE2 4.44Å; M381-F388 HydrophobicContact CE-CZ 3.37Å; M381-F388 HydrophobicContact SD-CE1 4.36Å
382	T	94.2	Very high	88.5	Confident	50 Å²	50	48.8 Å²	48.8	31%	0.307	27%	0.271	S	S	.	.			trans	-105	-9.6	-173.2	54.8	0	0	0	0	114.4	R323 T372 F373 D374	R323-T382 WeakPolarHBondContact CD-O 3.01Å; R323-T382 PolarHBondContact NE-O 2.86Å; T372-T382 VanDerWaalsContact C-OG1 3.28Å; T372-T382 PolarHBondContact O-N 3.31Å; T372-T382 PolarHBondContact O-OG1 3.48Å; T372-T382 PolarHBondContact OG1-OG1 2.91Å; F373-T382 PolarHBondContact N-OG1 2.9Å; D374-T382 HydrophobicContact CB-CG2 3.97Å
383	L	93.8	Very high	88.6	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.089	28%	0.28	C	S	.	.			trans	-58.5	132.8	-173.8	-170.1	70.4	0	0	0	111.7	R323 I368 E369 T372 M381 F388	R323-L383 WeakPolarHBondContact CB-O 3.37Å; R323-L383 VanDerWaalsContact CD-O 3.23Å; R323-L383 WeakPolarHBondContact CD-O 3.42Å; I368-L383 HydrophobicContact CG2-CD2 3.64Å; E369-L383 WeakPolarHBondContact O-CD2 3.03Å; T372-L383 HydrophobicContact CG2-CD1 4.15Å; T372-L383 VanDerWaalsContact OG1-CA 3.23Å; T372-L383 WeakPolarHBondContact OG1-CA 3.32Å; T372-L383 WeakPolarHBondContact OG1-CB 3.09Å; T372-L383 PolarHBondContact OG1-N 3.27Å; T372-L383 VanDerWaalsContact OG1-N 3.16Å; M381-L383 HydrophobicContact CG-CB 4.5Å; L383-F388 HydrophobicContact CB-CE1 4.19Å; L383-F388 HydrophobicContact CD2-CD1 4.01Å; L383-F388 HydrophobicContact CD2-CE1 4.49Å; L383-F388 HydrophobicContact CG-CD1 4.34Å; L383-F388 HydrophobicContact CG-CE1 4.45Å; L383-F388 WeakPolarHBondContact O-CE1 3.23Å
384	P	92.4	Very high	88.6	Confident	45 Å²	45	49.8 Å²	49.8	29%	0.292	28%	0.28	S	S	.	.			trans	-61.9	140.4	174.3	-20.3	31.5	0	0	0	113	K386 S387	P384-K386 HydrophobicContact CB-CG 4.12Å; P384-K386 PolarHBondContact O-N 3.31Å; P384-K386 VanDerWaalsContact O-N 3.12Å; P384-S387 WeakPolarHBondContact O-CB 3.24Å; P384-S387 PolarHBondContact O-N 3.05Å
385	V	91.7	Very high	89.1	Confident	56 Å²	56	47.7 Å²	47.7	34%	0.339	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-51.5	-39.6	-177.8	177.1	0	0	0	0	113.2	H327 S387 F388	H327-V385 HydrophobicContact CB-CG1 4.44Å; H327-V385 HydrophobicContact CB-CG2 4.02Å; H327-V385 WeakPolarHBondContact ND1-CG1 3.42Å; V385-S387 PolarHBondContact O-N 3.42Å; V385-F388 HydrophobicContact CB-CE2 4.21Å; V385-F388 HydrophobicContact CB-CZ 4.36Å; V385-F388 HydrophobicContact CG1-CD2 4.24Å; V385-F388 HydrophobicContact CG1-CE2 4.2Å; V385-F388 HydrophobicContact CG2-CE2 3.98Å; V385-F388 HydrophobicContact CG2-CZ 3.97Å; V385-F388 WeakPolarHBondContact O-CB 3.33Å; V385-F388 WeakPolarHBondContact O-CG 3.19Å; V385-F388 PolarHBondContact O-N 3.25Å; V385-F388 VanDerWaalsContact O-N 3.15Å
386	K	92.3	Very high	89.6	Confident	192 Å²	192	51.9 Å²	51.9	84%	0.835	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-58.3	-19.4	178	63.9	177.4	-178.8	177.6	0	114.2	P384	P384-K386 HydrophobicContact CB-CG 4.12Å; P384-K386 PolarHBondContact O-N 3.31Å; P384-K386 VanDerWaalsContact O-N 3.12Å
387	S	92.5	Very high	90.5	Very high	56 Å²	56	57.8 Å²	57.8	39%	0.392	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-105.9	6.9	-175.8	-59.5	0	0	0	0	113.2	P384 V385 G389	P384-S387 WeakPolarHBondContact O-CB 3.24Å; P384-S387 PolarHBondContact O-N 3.05Å; V385-S387 PolarHBondContact O-N 3.42Å; S387-G389 PolarHBondContact O-N 2.81Å
388	F	93.4	Very high	91.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-67.1	-17.6	-178.7	-72.8	-3.8	0	0	0	114.5	W296 R323 H324 H327 I368 E369 M381 L383 V385 S390	W296-F388 HydrophobicContact CH2-CD2 4.11Å; W296-F388 HydrophobicContact CH2-CE2 4.11Å; W296-F388 AromaticContact CZ2-CD2 3.8Å; W296-F388 HydrophobicContact CZ2-CD2 3.8Å; W296-F388 HydrophobicContact CZ2-CE2 4.29Å; R323-F388 HydrophobicContact CB-CZ 4.14Å; H324-F388 HydrophobicContact CB-CE2 4.42Å; H324-F388 HydrophobicContact CB-CZ 4.36Å; H327-F388 HydrophobicContact CB-CE2 4.02Å; I368-F388 HydrophobicContact CD1-CB 3.9Å; I368-F388 HydrophobicContact CD1-CD1 4.16Å; I368-F388 HydrophobicContact CD1-CD2 3.98Å; I368-F388 HydrophobicContact CD1-CG 3.77Å; I368-F388 HydrophobicContact CG2-CD1 4.09Å; E369-F388 PolarHBondContact N-O 3.07Å; M381-F388 HydrophobicContact CE-CD1 4.4Å; M381-F388 HydrophobicContact CE-CE1 3.33Å; M381-F388 HydrophobicContact CE-CE2 4.44Å; M381-F388 HydrophobicContact CE-CZ 3.37Å; M381-F388 HydrophobicContact SD-CE1 4.36Å; L383-F388 HydrophobicContact CB-CE1 4.19Å; L383-F388 HydrophobicContact CD2-CD1 4.01Å; L383-F388 HydrophobicContact CD2-CE1 4.49Å; L383-F388 HydrophobicContact CG-CD1 4.34Å; L383-F388 HydrophobicContact CG-CE1 4.45Å; L383-F388 WeakPolarHBondContact O-CE1 3.23Å; V385-F388 HydrophobicContact CB-CE2 4.21Å; V385-F388 HydrophobicContact CB-CZ 4.36Å; V385-F388 HydrophobicContact CG1-CD2 4.24Å; V385-F388 HydrophobicContact CG1-CE2 4.2Å; V385-F388 HydrophobicContact CG2-CE2 3.98Å; V385-F388 HydrophobicContact CG2-CZ 3.97Å; V385-F388 WeakPolarHBondContact O-CB 3.33Å; V385-F388 WeakPolarHBondContact O-CG 3.19Å; V385-F388 PolarHBondContact O-N 3.25Å; V385-F388 VanDerWaalsContact O-N 3.15Å; F388-S390 WeakPolarHBondContact CB-O 3.46Å; F388-S390 PolarHBondContact O-N 3Å; F388-S390 VanDerWaalsContact O-N 3.16Å
389	G	90.8	Very high	91.7	Very high	42 Å²	42	57.3 Å²	57.3	43%	0.433	31%	0.308	S	S	.	.	S	Bend	trans	71.4	-1.7	-171.4	0	0	0	0	0	114	R295 E369 S387	R295-G389 PolarHBondContact NH1-O 3.37Å; R295-G389 VanDerWaalsContact NH1-O 3.13Å; E369-G389 VanDerWaalsContact CD-CA 3.48Å; E369-G389 WeakPolarHBondContact OE2-CA 3.35Å; S387-G389 PolarHBondContact O-N 2.81Å
390	S	92.3	Very high	91.8	Very high	25 Å²	25	57 Å²	57	18%	0.175	31%	0.314	C	S	.	.	S	Bend	trans	-158.7	161.2	176.5	61.1	0	0	0	0	110.5	W296 F388	W296-S390 PolarHBondContact NE1-OG 3.4Å; F388-S390 WeakPolarHBondContact CB-O 3.46Å; F388-S390 PolarHBondContact O-N 3Å; F388-S390 VanDerWaalsContact O-N 3.16Å
391	K	91.6	Very high	91.8	Very high	150 Å²	150	59.3 Å²	59.3	65%	0.652	32%	0.324	S	S	*	.			trans	-115.5	137	174.8	-67.5	-176.2	178.9	-179.4	0	109.9	N293 T393	N293-K391 PolarHBondContact ND2-O 2.87Å; K391-T393 HydrophobicContact CB-CG2 4.26Å; K391-T393 PolarHBondContact O-N 2.9Å
392	C	91.6	Very high	91.6	Very high	10 Å²	10	59.3 Å²	59.3	7%	0.068	32%	0.324	C	S	.	.			trans	-76	116.9	162.7	-169.1	0	0	0	0	108.6	W296 H327	W296-C392 HydrophobicContact CD2-CB 3.6Å; W296-C392 HydrophobicContact CE3-CB 3.6Å; W296-C392 HydrophobicContact CG-CB 4.06Å; W296-C392 HydrophobicContact CH2-CB 4.39Å; W296-C392 HydrophobicContact CZ2-CB 4.4Å; W296-C392 HydrophobicContact CZ3-CB 4Å; H327-C392 PolarHBondContact NE2-N 3.28Å; H327-C392 PolarHBondContact NE2-O 3.13Å
393	T	90	Very high	91.3	Very high	90 Å²	90	57.7 Å²	57.7	55%	0.552	31%	0.314	S	S	*	.			trans	-128.5	86.5	176.7	50.9	0	0	0	0	109.1	K391	K391-T393 HydrophobicContact CB-CG2 4.26Å; K391-T393 PolarHBondContact O-N 2.9Å
394	P	89.8	Confident	90.9	Very high	25 Å²	25	64.6 Å²	64.6	16%	0.162	34%	0.343	C	S	.	.			trans	-62.2	143.2	177.6	-18.8	31	0	0	0	111.3	E290 L298 F398 L399	E290-P394 VanDerWaalsContact OE2-CA 3.25Å; E290-P394 WeakPolarHBondContact OE2-CA 3.28Å; L298-P394 HydrophobicContact CD2-CB 4.41Å; L298-P394 HydrophobicContact CD2-CG 3.92Å; P394-F398 HydrophobicContact CB-CD1 3.62Å; P394-F398 HydrophobicContact CB-CE1 4.14Å; P394-F398 HydrophobicContact CB-CG 4.4Å; P394-L399 HydrophobicContact CB-CD2 4.29Å; P394-L399 HydrophobicContact CB-CG 4.37Å
395	S	92.6	Very high	90.5	Very high	41 Å²	41	62.8 Å²	62.8	29%	0.287	33%	0.332	S	S	.	.			trans	-72.5	156.1	-178.6	72.7	0	0	0	0	112.5	E290 K397 F398 L399	E290-S395 WeakPolarHBondContact OE1-CB 3.46Å; E290-S395 PolarHBondContact OE1-N 2.95Å; E290-S395 PolarHBondContact OE1-OG 3.17Å; E290-S395 PolarHBondContact OE2-N 2.99Å; S395-K397 PolarHBondContact O-N 3.31Å; S395-K397 PolarHBondContact OG-N 2.94Å; S395-F398 WeakPolarHBondContact O-CB 3.47Å; S395-F398 PolarHBondContact O-N 3.14Å; S395-F398 VanDerWaalsContact O-N 3.08Å; S395-F398 PolarHBondContact OG-N 3.34Å; S395-F398 VanDerWaalsContact OG-N 3.08Å; S395-L399 WeakPolarHBondContact O-CG 3.33Å; S395-L399 PolarHBondContact O-N 3.22Å
396	E	90.8	Very high	90	Very high	138 Å²	138	61 Å²	61	65%	0.645	33%	0.325	S	S	*	.	H	α-helix	trans	-52.6	-36.6	169.5	-91.6	-92	134.3	0	0	111.8	K335 G400	K335-E396 IonicContact NZ-OE1 3.71Å; K335-E396 PolarHBondContact NZ-OE1 3.24Å; K335-E396 IonicContact NZ-OE2 3.44Å; E396-G400 PolarHBondContact O-N 3.18Å
397	K	91.3	Very high	89.7	Confident	160 Å²	160	51.9 Å²	51.9	70%	0.696	29%	0.285	S	S	*	.	H	α-helix	trans	-64	-47.1	176.4	-178	-178.1	177.4	-177.8	0	111.5	S395 G400 Q401	S395-K397 PolarHBondContact O-N 3.31Å; S395-K397 PolarHBondContact OG-N 2.94Å; K397-G400 PolarHBondContact O-N 3.09Å; K397-Q401 WeakPolarHBondContact O-CG 3.45Å; K397-Q401 PolarHBondContact O-N 3.15Å
398	F	92.4	Very high	89.2	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.013	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-50.5	176.6	175	-93.5	0	0	0	110.9	V288 E290 L298 V300 V332 P394 S395 G400 Q401 V402	V288-F398 HydrophobicContact CB-CE2 4.17Å; V288-F398 HydrophobicContact CG1-CD2 3.53Å; V288-F398 HydrophobicContact CG1-CE2 3.63Å; V288-F398 HydrophobicContact CG1-CG 4.32Å; V288-F398 HydrophobicContact CG1-CZ 4.45Å; E290-F398 HydrophobicContact CB-CB 4.2Å; E290-F398 HydrophobicContact CB-CD2 3.32Å; E290-F398 HydrophobicContact CB-CE2 3.86Å; E290-F398 HydrophobicContact CB-CG 3.94Å; E290-F398 HydrophobicContact CG-CB 4.48Å; E290-F398 HydrophobicContact CG-CD2 4.4Å; E290-F398 WeakPolarHBondContact OE2-CB 3.43Å; E290-F398 WeakPolarHBondContact OE2-CG 3.33Å; L298-F398 HydrophobicContact CB-CZ 4.46Å; L298-F398 HydrophobicContact CD2-CD1 4.44Å; L298-F398 HydrophobicContact CD2-CE1 3.49Å; L298-F398 VanDerWaalsContact CD2-CE1 3.49Å; L298-F398 HydrophobicContact CD2-CZ 3.56Å; L298-F398 HydrophobicContact CG-CE1 4.2Å; L298-F398 HydrophobicContact CG-CZ 3.73Å; V300-F398 HydrophobicContact CB-CZ 4.43Å; V300-F398 HydrophobicContact CG2-CE1 4.5Å; V300-F398 HydrophobicContact CG2-CZ 4Å; V332-F398 HydrophobicContact CG2-CE1 4.06Å; P394-F398 HydrophobicContact CB-CD1 3.62Å; P394-F398 HydrophobicContact CB-CE1 4.14Å; P394-F398 HydrophobicContact CB-CG 4.4Å; S395-F398 WeakPolarHBondContact O-CB 3.47Å; S395-F398 PolarHBondContact O-N 3.14Å; S395-F398 VanDerWaalsContact O-N 3.08Å; S395-F398 PolarHBondContact OG-N 3.34Å; S395-F398 VanDerWaalsContact OG-N 3.08Å; F398-G400 VanDerWaalsContact C-N 3.29Å; F398-G400 PolarHBondContact O-N 3.1Å; F398-Q401 WeakPolarHBondContact O-CB 3.5Å; F398-Q401 PolarHBondContact O-N 2.89Å; F398-V402 HydrophobicContact CD1-CG2 3.96Å; F398-V402 HydrophobicContact CE1-CG2 3.56Å; F398-V402 HydrophobicContact CE2-CG2 4.29Å; F398-V402 HydrophobicContact CG-CG2 4.47Å; F398-V402 HydrophobicContact CZ-CG2 3.75Å; F398-V402 WeakPolarHBondContact O-CG2 3.37Å; F398-V402 PolarHBondContact O-N 2.87Å
399	L	91.8	Very high	88.5	Confident	22 Å²	22	55.3 Å²	55.3	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-40.9	178.5	-67.5	176.3	0	0	0	112.1	V332 K335 P394 S395 Q401 V402 V403	V332-L399 HydrophobicContact CB-CD2 4.49Å; V332-L399 HydrophobicContact CG2-CD2 4.01Å; K335-L399 HydrophobicContact CB-CB 4.41Å; K335-L399 HydrophobicContact CB-CD1 4.44Å; K335-L399 HydrophobicContact CB-CD2 4.26Å; K335-L399 HydrophobicContact CD-CB 4.41Å; K335-L399 HydrophobicContact CD-CD1 4.44Å; K335-L399 HydrophobicContact CG-CB 4.04Å; P394-L399 HydrophobicContact CB-CD2 4.29Å; P394-L399 HydrophobicContact CB-CG 4.37Å; S395-L399 WeakPolarHBondContact O-CG 3.33Å; S395-L399 PolarHBondContact O-N 3.22Å; L399-Q401 VanDerWaalsContact C-N 3.35Å; L399-Q401 PolarHBondContact O-N 3.06Å; L399-V402 PolarHBondContact O-N 3.32Å; L399-V403 WeakPolarHBondContact O-CG2 3.4Å; L399-V403 PolarHBondContact O-N 2.88Å
400	G	88.5	Confident	87.9	Confident	30 Å²	30	55 Å²	55	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-34.2	174.8	0	0	0	0	0	113.9	E396 K397 F398 K404	E396-G400 PolarHBondContact O-N 3.18Å; K397-G400 PolarHBondContact O-N 3.09Å; F398-G400 VanDerWaalsContact C-N 3.29Å; F398-G400 PolarHBondContact O-N 3.1Å; G400-K404 WeakPolarHBondContact O-CG 3.37Å
401	Q	91.1	Very high	87.3	Confident	92 Å²	92	53.9 Å²	53.9	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-73.3	-38.6	174.1	-73.5	-180	-25.9	0	0	112.2	V288 K397 F398 L399 V403 K404 C405	V288-Q401 HydrophobicContact CB-CB 4.47Å; V288-Q401 HydrophobicContact CG1-CB 3.54Å; V288-Q401 HydrophobicContact CG2-CB 4.03Å; K397-Q401 WeakPolarHBondContact O-CG 3.45Å; K397-Q401 PolarHBondContact O-N 3.15Å; F398-Q401 WeakPolarHBondContact O-CB 3.5Å; F398-Q401 PolarHBondContact O-N 2.89Å; L399-Q401 VanDerWaalsContact C-N 3.35Å; L399-Q401 PolarHBondContact O-N 3.06Å; Q401-V403 VanDerWaalsContact C-N 3.3Å; Q401-V403 PolarHBondContact O-N 3.37Å; Q401-K404 CarbonylContact O-C 3.52Å; Q401-K404 PolarHBondContact O-N 2.99Å; Q401-C405 PolarHBondContact O-N 3.37Å; Q401-C405 VanDerWaalsContact O-N 3.12Å
402	V	89.4	Confident	86.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-42	177.3	173.6	0	0	0	0	111	V288 V300 V332 F398 L399 K404 C405 I407	V288-V402 HydrophobicContact CB-CG2 4.04Å; V288-V402 HydrophobicContact CG1-CG2 4Å; V288-V402 HydrophobicContact CG2-CG2 4.33Å; V300-V402 HydrophobicContact CB-CG2 4.16Å; V300-V402 HydrophobicContact CG1-CG1 3.94Å; V300-V402 HydrophobicContact CG1-CG2 4.46Å; V332-V402 HydrophobicContact CG1-CG1 3.82Å; F398-V402 HydrophobicContact CD1-CG2 3.96Å; F398-V402 HydrophobicContact CE1-CG2 3.56Å; F398-V402 HydrophobicContact CE2-CG2 4.29Å; F398-V402 HydrophobicContact CG-CG2 4.47Å; F398-V402 HydrophobicContact CZ-CG2 3.75Å; F398-V402 WeakPolarHBondContact O-CG2 3.37Å; F398-V402 PolarHBondContact O-N 2.87Å; L399-V402 PolarHBondContact O-N 3.32Å; V402-K404 PolarHBondContact O-N 3.42Å; V402-C405 PolarHBondContact O-N 2.85Å; V402-C405 PolarHBondContact O-SG 3.29Å; V402-I407 HydrophobicContact CG1-CD1 3.69Å
403	V	86.7	Confident	85.7	Confident	17 Å²	17	53.2 Å²	53.2	10%	0.103	28%	0.279	C	S	.	.	I	π-helix	trans	-60.1	-32	175.7	172.9	0	0	0	0	112	K335 V336 V339 L399 Q401 L408	K335-V403 HydrophobicContact CG-CG2 4.33Å; V336-V403 HydrophobicContact CG2-CG2 4.3Å; V339-V403 HydrophobicContact CB-CG1 4.35Å; V339-V403 HydrophobicContact CG1-CG1 3.87Å; V339-V403 HydrophobicContact CG2-CG1 4.25Å; V339-V403 HydrophobicContact CG2-CG2 4.04Å; L399-V403 WeakPolarHBondContact O-CG2 3.4Å; L399-V403 PolarHBondContact O-N 2.88Å; Q401-V403 VanDerWaalsContact C-N 3.3Å; Q401-V403 PolarHBondContact O-N 3.37Å; V403-L408 HydrophobicContact CG1-CB 4.42Å; V403-L408 HydrophobicContact CG1-CD2 4.04Å; V403-L408 WeakPolarHBondContact O-CB 3.28Å
404	K	85.4	Confident	84.9	Confident	161 Å²	161	51.6 Å²	51.6	70%	0.7	26%	0.263	S	S	*	.	I	π-helix	trans	-93.3	1.6	-177.7	-64.8	178.8	-178.9	-177.3	0	114.6	G400 Q401 V402 G406	G400-K404 WeakPolarHBondContact O-CG 3.37Å; Q401-K404 CarbonylContact O-C 3.52Å; Q401-K404 PolarHBondContact O-N 2.99Å; V402-K404 PolarHBondContact O-N 3.42Å; K404-G406 VanDerWaalsContact C-N 3.33Å
405	C	85.1	Confident	84	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.054	26%	0.257	C	S	.	.	I	π-helix	trans	-88.8	6.2	-174.5	79.9	0	0	0	0	114.5	K286 V288 Q401 V402 I407	K286-C405 HydrophobicContact CB-CB 4.08Å; V288-C405 HydrophobicContact CG2-CB 3.65Å; Q401-C405 PolarHBondContact O-N 3.37Å; Q401-C405 VanDerWaalsContact O-N 3.12Å; V402-C405 PolarHBondContact O-N 2.85Å; V402-C405 PolarHBondContact O-SG 3.29Å; C405-I407 WeakPolarHBondContact SG-CD1 3.29Å
406	G	81.8	Confident	82.7	Confident	19 Å²	19	54.1 Å²	54.1	20%	0.196	27%	0.266	C	S	.	.	I	π-helix	trans	112	-14.4	179.4	0	0	0	0	0	114.6	K404 E409 C410	K404-G406 VanDerWaalsContact C-N 3.33Å; G406-E409 WeakPolarHBondContact CA-OE2 3.34Å; G406-C410 WeakPolarHBondContact O-CB 3.31Å; G406-C410 PolarHBondContact O-N 3.48Å; G406-C410 PolarHBondContact O-SG 3.49Å
407	I	85.3	Confident	81.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-67.6	-42.2	-175.7	-65.3	158	0	0	0	111.1	V300 V302 V336 L360 V402 C405 E409 C410 V411	V300-I407 HydrophobicContact CG1-CD1 3.64Å; V302-I407 HydrophobicContact CB-CG1 4.35Å; V336-I407 HydrophobicContact CG1-CG2 4.41Å; L360-I407 HydrophobicContact CD2-CD1 3.33Å; L360-I407 HydrophobicContact CD2-CG1 3.89Å; L360-I407 HydrophobicContact CD2-CG2 3.85Å; V402-I407 HydrophobicContact CG1-CD1 3.69Å; C405-I407 WeakPolarHBondContact SG-CD1 3.29Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.03Å; I407-C410 PolarHBondContact O-N 3.32Å; I407-V411 HydrophobicContact CG2-CG2 3.99Å; I407-V411 WeakPolarHBondContact O-CB 3.32Å; I407-V411 VanDerWaalsContact O-CG2 3.23Å; I407-V411 WeakPolarHBondContact O-CG2 3.27Å; I407-V411 PolarHBondContact O-N 3.36Å
408	L	82.3	Confident	79.9	Confident	26 Å²	26	44.8 Å²	44.8	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-45.4	-178.7	-173.5	74.4	0	0	0	110.5	V339 I340 V403 T412	V339-L408 HydrophobicContact CB-CD1 4.5Å; V339-L408 HydrophobicContact CG1-CD1 4.01Å; V339-L408 HydrophobicContact CG1-CD2 4.09Å; I340-L408 HydrophobicContact CD1-CD1 4.19Å; I340-L408 HydrophobicContact CG1-CD1 3.34Å; V403-L408 HydrophobicContact CG1-CB 4.42Å; V403-L408 HydrophobicContact CG1-CD2 4.04Å; V403-L408 WeakPolarHBondContact O-CB 3.28Å; L408-T412 WeakPolarHBondContact O-CB 3.34Å; L408-T412 PolarHBondContact O-N 2.78Å; L408-T412 PolarHBondContact O-OG1 2.87Å
409	E	78.9	Confident	78.3	Confident	101 Å²	101	48 Å²	48	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-47.8	177.7	-61.4	88.3	169.5	0	0	111.1	G406 I407 T412 Q413	G406-E409 WeakPolarHBondContact CA-OE2 3.34Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.03Å; E409-T412 PolarHBondContact O-N 3.41Å; E409-Q413 VanDerWaalsContact O-CB 3.31Å; E409-Q413 WeakPolarHBondContact O-CB 3.42Å; E409-Q413 WeakPolarHBondContact O-CG 3.46Å; E409-Q413 PolarHBondContact O-N 2.95Å
410	C	77.7	Confident	76.6	Confident	37 Å²	37	51.8 Å²	51.8	25%	0.25	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-47.8	179.6	-71	0	0	0	0	112.2	V302 G406 I407 Q413 W414	V302-C410 HydrophobicContact CG2-CB 4.18Å; G406-C410 WeakPolarHBondContact O-CB 3.31Å; G406-C410 PolarHBondContact O-N 3.48Å; G406-C410 PolarHBondContact O-SG 3.49Å; I407-C410 PolarHBondContact O-N 3.32Å; C410-Q413 PolarHBondContact O-N 3.01Å; C410-W414 VanDerWaalsContact O-CB 3.3Å; C410-W414 WeakPolarHBondContact O-CB 3.49Å; C410-W414 PolarHBondContact O-N 3.29Å
411	V	80	Confident	74.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-42	178.7	174.6	0	0	0	0	110.7	I340 V356 H359 I407 W414 L415	I340-V411 HydrophobicContact CD1-CB 4.25Å; I340-V411 HydrophobicContact CD1-CG1 3.59Å; V356-V411 HydrophobicContact CG2-CG1 4.29Å; H359-V411 HydrophobicContact CB-CG2 3.87Å; I407-V411 HydrophobicContact CG2-CG2 3.99Å; I407-V411 WeakPolarHBondContact O-CB 3.32Å; I407-V411 VanDerWaalsContact O-CG2 3.23Å; I407-V411 WeakPolarHBondContact O-CG2 3.27Å; I407-V411 PolarHBondContact O-N 3.36Å; V411-W414 PolarHBondContact O-N 3.3Å; V411-L415 HydrophobicContact CG1-CD1 3.7Å; V411-L415 HydrophobicContact CG1-CG 4.34Å; V411-L415 WeakPolarHBondContact O-CB 3.19Å; V411-L415 WeakPolarHBondContact O-CD1 3.42Å; V411-L415 VanDerWaalsContact O-CG 3.28Å; V411-L415 WeakPolarHBondContact O-CG 3.41Å; V411-L415 PolarHBondContact O-N 3.45Å
412	T	75.8	Confident	72.8	Confident	29 Å²	29	50.9 Å²	50.9	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-41.1	179.6	-56.4	0	0	0	0	111.6	L408 E409 L415 K416	L408-T412 WeakPolarHBondContact O-CB 3.34Å; L408-T412 PolarHBondContact O-N 2.78Å; L408-T412 PolarHBondContact O-OG1 2.87Å; E409-T412 PolarHBondContact O-N 3.41Å; T412-L415 PolarHBondContact O-N 3.44Å; T412-K416 HydrophobicContact CG2-CD 4.37Å; T412-K416 WeakPolarHBondContact O-CB 3.41Å; T412-K416 VanDerWaalsContact O-CG 3.32Å; T412-K416 WeakPolarHBondContact O-CG 3.42Å; T412-K416 PolarHBondContact O-N 3.21Å
413	Q	73.2	Confident	70.9	Confident	117 Å²	117	55.2 Å²	55.2	55%	0.547	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-46.7	172.1	-79.4	-178.1	-7.7	0	0	110.9	E409 C410 L415 K416 F417	E409-Q413 VanDerWaalsContact O-CB 3.31Å; E409-Q413 WeakPolarHBondContact O-CB 3.42Å; E409-Q413 WeakPolarHBondContact O-CG 3.46Å; E409-Q413 PolarHBondContact O-N 2.95Å; C410-Q413 PolarHBondContact O-N 3.01Å; Q413-L415 VanDerWaalsContact C-N 3.35Å; Q413-L415 PolarHBondContact O-N 3.08Å; Q413-K416 PolarHBondContact O-N 3.2Å; Q413-F417 WeakPolarHBondContact O-CB 3.44Å; Q413-F417 PolarHBondContact O-N 2.91Å
414	W	73	Confident	69	Low	57 Å²	57	56.6 Å²	56.6	22%	0.216	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-37.2	177.4	-179.5	87.1	0	0	0	113	Q355 H359 C410 V411 F417 K418	Q355-W414 HydrophobicContact CB-CH2 4.16Å; Q355-W414 HydrophobicContact CB-CZ3 3.75Å; Q355-W414 HydrophobicContact CG-CH2 3.84Å; Q355-W414 HydrophobicContact CG-CZ3 3.79Å; H359-W414 AromaticContact CE1-CD1 3.9Å; H359-W414 AromaticContact CE1-CG 3.76Å; H359-W414 AromaticContact NE2-CD1 3.82Å; H359-W414 AromaticContact NE2-CD2 3.66Å; H359-W414 AromaticContact NE2-CG 3.39Å; C410-W414 VanDerWaalsContact O-CB 3.3Å; C410-W414 WeakPolarHBondContact O-CB 3.49Å; C410-W414 PolarHBondContact O-N 3.29Å; V411-W414 PolarHBondContact O-N 3.3Å; W414-F417 CarbonylContact O-C 3.51Å; W414-F417 WeakPolarHBondContact O-CB 3.12Å; W414-F417 PolarHBondContact O-N 2.82Å; W414-K418 HydrophobicContact CH2-CD 3.48Å; W414-K418 VanDerWaalsContact CH2-CD 3.48Å; W414-K418 HydrophobicContact CZ2-CD 3.76Å; W414-K418 HydrophobicContact CZ3-CD 4.1Å; W414-K418 WeakPolarHBondContact O-CB 3.45Å; W414-K418 PolarHBondContact O-N 3.01Å
415	L	70.1	Confident	67.3	Low	8 Å²	8	49.3 Å²	49.3	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-68.6	-46.8	176.1	-79.2	159.8	0	0	0	112.3	I340 V351 V411 T412 Q413 F417 K418 N419	I340-L415 HydrophobicContact CG2-CD1 4.49Å; V351-L415 HydrophobicContact CB-CD1 4.26Å; V351-L415 HydrophobicContact CG1-CD1 4.06Å; V351-L415 HydrophobicContact CG1-CD2 4.44Å; V351-L415 HydrophobicContact CG2-CD1 3.21Å; V351-L415 HydrophobicContact CG2-CD2 3.94Å; V351-L415 HydrophobicContact CG2-CG 4.21Å; V411-L415 HydrophobicContact CG1-CD1 3.7Å; V411-L415 HydrophobicContact CG1-CG 4.34Å; V411-L415 WeakPolarHBondContact O-CB 3.19Å; V411-L415 WeakPolarHBondContact O-CD1 3.42Å; V411-L415 VanDerWaalsContact O-CG 3.28Å; V411-L415 WeakPolarHBondContact O-CG 3.41Å; V411-L415 PolarHBondContact O-N 3.45Å; T412-L415 PolarHBondContact O-N 3.44Å; Q413-L415 VanDerWaalsContact C-N 3.35Å; Q413-L415 PolarHBondContact O-N 3.08Å; L415-F417 PolarHBondContact O-N 2.62Å; L415-K418 PolarHBondContact O-N 3.35Å; L415-N419 PolarHBondContact O-N 3.45Å
416	K	67.1	Low	65.6	Low	111 Å²	111	51.7 Å²	51.7	48%	0.483	27%	0.27	S	S	.	.	H	α-helix	trans	-56.4	-44	172.4	-74.8	176.4	179	178.5	0	109.8	F349 T412 Q413 Q420	F349-K416 HydrophobicContact CE2-CG 4.2Å; F349-K416 HydrophobicContact CZ-CG 4.39Å; T412-K416 HydrophobicContact CG2-CD 4.37Å; T412-K416 WeakPolarHBondContact O-CB 3.41Å; T412-K416 VanDerWaalsContact O-CG 3.32Å; T412-K416 WeakPolarHBondContact O-CG 3.42Å; T412-K416 PolarHBondContact O-N 3.21Å; Q413-K416 PolarHBondContact O-N 3.2Å; K416-Q420 VanDerWaalsContact O-CB 3.31Å; K416-Q420 WeakPolarHBondContact O-CB 3.35Å; K416-Q420 WeakPolarHBondContact O-CG 3.24Å; K416-Q420 PolarHBondContact O-N 3.01Å
417	F	59.1	Low	64.1	Low	33 Å²	33	56.9 Å²	56.9	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-49.9	176	167.1	-101.9	0	0	0	113.2	Q413 W414 L415 N419 Q420 L421 H496 C500	Q413-F417 WeakPolarHBondContact O-CB 3.44Å; Q413-F417 PolarHBondContact O-N 2.91Å; W414-F417 CarbonylContact O-C 3.51Å; W414-F417 WeakPolarHBondContact O-CB 3.12Å; W414-F417 PolarHBondContact O-N 2.82Å; L415-F417 PolarHBondContact O-N 2.62Å; F417-N419 PolarHBondContact O-N 2.93Å; F417-Q420 PolarHBondContact O-N 3.45Å; F417-L421 HydrophobicContact CD1-CD1 3.97Å; F417-L421 HydrophobicContact CD2-CD1 4.27Å; F417-L421 HydrophobicContact CD2-CG 4.49Å; F417-L421 HydrophobicContact CE1-CD1 3.29Å; F417-L421 HydrophobicContact CE1-CG 4.42Å; F417-L421 HydrophobicContact CE2-CD1 3.63Å; F417-L421 HydrophobicContact CE2-CG 4.03Å; F417-L421 HydrophobicContact CG-CD1 4.41Å; F417-L421 HydrophobicContact CZ-CD1 3.08Å; F417-L421 HydrophobicContact CZ-CG 3.98Å; F417-L421 WeakPolarHBondContact O-CB 3.12Å; F417-L421 PolarHBondContact O-N 3.39Å; F417-H496 HydrophobicContact CD2-CB 4.19Å; F417-H496 AromaticContact CE1-CD2 3.69Å; F417-H496 HydrophobicContact CE2-CB 3.68Å; F417-H496 AromaticContact CE2-CD2 3.4Å; F417-H496 WeakPolarHBondContact CE2-CD2 3.39Å; F417-H496 AromaticContact CE2-CG 3.74Å; F417-H496 HydrophobicContact CZ-CB 4.2Å; F417-H496 AromaticContact CZ-CD2 2.97Å; F417-H496 WeakPolarHBondContact CZ-CD2 3.36Å; F417-H496 AromaticContact CZ-CG 3.79Å; F417-H496 AromaticContact CZ-NE2 3.58Å; F417-C500 VanDerWaalsContact CE2-SG 3.54Å
418	K	62.9	Low	62.7	Low	69 Å²	69	59.9 Å²	59.9	30%	0.3	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-40.3	-179.1	-178.1	174.3	177.9	173.7	0	112.1	W414 L415 L421 N422	W414-K418 HydrophobicContact CH2-CD 3.48Å; W414-K418 VanDerWaalsContact CH2-CD 3.48Å; W414-K418 HydrophobicContact CZ2-CD 3.76Å; W414-K418 HydrophobicContact CZ3-CD 4.1Å; W414-K418 WeakPolarHBondContact O-CB 3.45Å; W414-K418 PolarHBondContact O-N 3.01Å; L415-K418 PolarHBondContact O-N 3.35Å; K418-L421 WeakPolarHBondContact O-CB 3.38Å; K418-L421 PolarHBondContact O-N 3.11Å; K418-N422 WeakPolarHBondContact O-CB 3.29Å; K418-N422 PolarHBondContact O-N 2.98Å
419	N	58.7	Low	61.9	Low	70 Å²	70	62.2 Å²	62.2	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-71.5	-36.1	176.1	-82.5	-24.4	0	0	0	112	F349 L415 F417 S423	F349-N419 WeakPolarHBondContact CD1-ND2 3.41Å; L415-N419 PolarHBondContact O-N 3.45Å; F417-N419 PolarHBondContact O-N 2.93Å; N419-S423 WeakPolarHBondContact O-CB 3.44Å; N419-S423 PolarHBondContact O-N 3.11Å; N419-S423 PolarHBondContact O-OG 2.95Å
420	Q	56.3	Low	61.5	Low	101 Å²	101	62.1 Å²	62.1	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-43.5	169.5	-82.5	179.7	-31.3	0	0	111.3	K416 F417 S423 Q424	K416-Q420 VanDerWaalsContact O-CB 3.31Å; K416-Q420 WeakPolarHBondContact O-CB 3.35Å; K416-Q420 WeakPolarHBondContact O-CG 3.24Å; K416-Q420 PolarHBondContact O-N 3.01Å; F417-Q420 PolarHBondContact O-N 3.45Å; Q420-S423 WeakPolarHBondContact CA-OG 3.34Å; Q420-S423 PolarHBondContact O-N 2.91Å; Q420-S423 PolarHBondContact O-OG 2.83Å; Q420-S423 VanDerWaalsContact O-OG 3.1Å; Q420-Q424 WeakPolarHBondContact O-CB 3.34Å; Q420-Q424 VanDerWaalsContact O-CG 3.23Å; Q420-Q424 WeakPolarHBondContact O-CG 3.11Å; Q420-Q424 PolarHBondContact O-N 3.35Å
421	L	50.2	Low	61.2	Low	22 Å²	22	63.7 Å²	63.7	12%	0.115	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-48.9	175.7	-95.6	175.3	0	0	0	112.9	F417 K418 Q424 C425 Y516	F417-L421 HydrophobicContact CD1-CD1 3.97Å; F417-L421 HydrophobicContact CD2-CD1 4.27Å; F417-L421 HydrophobicContact CD2-CG 4.49Å; F417-L421 HydrophobicContact CE1-CD1 3.29Å; F417-L421 HydrophobicContact CE1-CG 4.42Å; F417-L421 HydrophobicContact CE2-CD1 3.63Å; F417-L421 HydrophobicContact CE2-CG 4.03Å; F417-L421 HydrophobicContact CG-CD1 4.41Å; F417-L421 HydrophobicContact CZ-CD1 3.08Å; F417-L421 HydrophobicContact CZ-CG 3.98Å; F417-L421 WeakPolarHBondContact O-CB 3.12Å; F417-L421 PolarHBondContact O-N 3.39Å; K418-L421 WeakPolarHBondContact O-CB 3.38Å; K418-L421 PolarHBondContact O-N 3.11Å; L421-Q424 PolarHBondContact O-N 2.9Å; L421-C425 VanDerWaalsContact O-CB 3.31Å; L421-C425 WeakPolarHBondContact O-CB 3.31Å; L421-C425 PolarHBondContact O-N 2.93Å; L421-C425 PolarHBondContact O-SG 3.16Å; L421-Y516 HydrophobicContact CD2-CD2 3.09Å; L421-Y516 HydrophobicContact CD2-CE2 3.39Å; L421-Y516 HydrophobicContact CD2-CG 3.99Å; L421-Y516 HydrophobicContact CG-CD2 4.49Å
422	N	49.5	Very low	61	Low	82 Å²	82	71.8 Å²	71.8	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-75.2	-25.7	-178.5	-78.3	1.2	0	0	0	113	K418 C425	K418-N422 WeakPolarHBondContact O-CB 3.29Å; K418-N422 PolarHBondContact O-N 2.98Å; N422-C425 VanDerWaalsContact O-O 3.13Å
423	S	49.1	Very low	61.3	Low	92 Å²	92	72.8 Å²	72.8	64%	0.643	37%	0.374	S	S	*	.	H	α-helix	trans	-80.9	-23.5	172.8	56.8	0	0	0	0	112.3	N419 Q420	N419-S423 WeakPolarHBondContact O-CB 3.44Å; N419-S423 PolarHBondContact O-N 3.11Å; N419-S423 PolarHBondContact O-OG 2.95Å; Q420-S423 WeakPolarHBondContact CA-OG 3.34Å; Q420-S423 PolarHBondContact O-N 2.91Å; Q420-S423 PolarHBondContact O-OG 2.83Å; Q420-S423 VanDerWaalsContact O-OG 3.1Å
424	Q	48.2	Very low	61.4	Low	46 Å²	46	77.1 Å²	77.1	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-92.8	-28.8	176.4	-70.2	-178.6	-14.6	0	0	113.5	Q420 L421 T506 K510	Q420-Q424 WeakPolarHBondContact O-CB 3.34Å; Q420-Q424 VanDerWaalsContact O-CG 3.23Å; Q420-Q424 WeakPolarHBondContact O-CG 3.11Å; Q420-Q424 PolarHBondContact O-N 3.35Å; L421-Q424 PolarHBondContact O-N 2.9Å; Q424-T506 HydrophobicContact CB-CG2 3.9Å; Q424-T506 HydrophobicContact CG-CG2 3.82Å; Q424-K510 WeakPolarHBondContact O-CE 3.05Å; Q424-K510 WeakPolarHBondContact O-CG 3.38Å
425	C	48.2	Very low	61.5	Low	8 Å²	8	78.1 Å²	78.1	5%	0.054	42%	0.419	C	S	.	.	S	Bend	trans	-100.4	104.2	173	-56.7	0	0	0	0	108.5	L421 N422 N427 Q515	L421-C425 VanDerWaalsContact O-CB 3.31Å; L421-C425 WeakPolarHBondContact O-CB 3.31Å; L421-C425 PolarHBondContact O-N 2.93Å; L421-C425 PolarHBondContact O-SG 3.16Å; N422-C425 VanDerWaalsContact O-O 3.13Å; C425-N427 PolarHBondContact O-N 2.83Å; C425-Q515 HydrophobicContact CB-CG 4.42Å
426	S	49.4	Very low	62.2	Low	57 Å²	57	78.7 Å²	78.7	40%	0.399	42%	0.422	S	S	.	.			trans	-59.2	129.6	177.5	-179	0	0	0	0	110.8	S428 H430 Q515	S426-S428 VanDerWaalsContact C-N 3.28Å; S426-S428 PolarHBondContact OG-N 2.84Å; S426-S428 PolarHBondContact OG-O 2.89Å; S426-H430 PolarHBondContact OG-CD2 3.45Å; S426-H430 PolarHBondContact OG-NE2 3.12Å; S426-Q515 PolarHBondContact O-NE2 3.31Å
427	N	52.1	Low	62.8	Low	128 Å²	128	77.8 Å²	77.8	68%	0.684	43%	0.427	S	S	*	.	S	Bend	trans	-72.8	-23.2	171.4	-86.9	-11.5	0	0	0	112.3	C425	C425-N427 PolarHBondContact O-N 2.83Å
428	S	55.8	Low	64.3	Low	64 Å²	64	81.1 Å²	81.1	45%	0.448	44%	0.442	S	S	.	.	S	Bend	trans	-104.4	132.6	178.4	39.8	0	0	0	0	111.3	S426 H430	S426-S428 VanDerWaalsContact C-N 3.28Å; S426-S428 PolarHBondContact OG-N 2.84Å; S426-S428 PolarHBondContact OG-O 2.89Å; S428-H430 VanDerWaalsContact C-N 3.32Å; S428-H430 PolarHBondContact O-CD2 2.76Å; S428-H430 VanDerWaalsContact O-CD2 3.3Å; S428-H430 PolarHBondContact O-N 2.73Å; S428-H430 PolarHBondContact OG-CE1 3.41Å; S428-H430 VanDerWaalsContact OG-CE1 3.25Å; S428-H430 PolarHBondContact OG-NE2 3.5Å
429	K	65.7	Low	65.8	Low	75 Å²	75	79.2 Å²	79.2	33%	0.326	43%	0.434	S	S	.	.			trans	-68.5	88.8	173.7	-159.5	-172.8	-166.9	-172.5	0	109	G446 T447 S450 R527 S528 L529 R530	K429-G446 WeakPolarHBondContact CD-O 3.37Å; K429-T447 PolarHBondContact NZ-O 3.4Å; K429-S450 VanDerWaalsContact CE-OG 3.29Å; K429-S450 WeakPolarHBondContact CE-OG 3.46Å; K429-S450 PolarHBondContact NZ-OG 3.12Å; K429-R527 WeakPolarHBondContact CE-O 3.46Å; K429-R527 PolarHBondContact NZ-O 3.02Å; K429-S528 WeakPolarHBondContact CE-O 3.38Å; K429-L529 WeakPolarHBondContact CE-O 3.47Å; K429-L529 PolarHBondContact NZ-O 2.88Å; K429-R530 HydrophobicContact CG-CG 4.27Å
430	H	69.6	Low	67.4	Low	99 Å²	99	79.4 Å²	79.4	46%	0.458	43%	0.433	S	S	.	.			trans	-78.2	137.1	175.9	-68.4	-65.5	0	0	0	109.8	S426 S428 K432 R530	S426-H430 PolarHBondContact OG-CD2 3.45Å; S426-H430 PolarHBondContact OG-NE2 3.12Å; S428-H430 VanDerWaalsContact C-N 3.32Å; S428-H430 PolarHBondContact O-CD2 2.76Å; S428-H430 VanDerWaalsContact O-CD2 3.3Å; S428-H430 PolarHBondContact O-N 2.73Å; S428-H430 PolarHBondContact OG-CE1 3.41Å; S428-H430 VanDerWaalsContact OG-CE1 3.25Å; S428-H430 PolarHBondContact OG-NE2 3.5Å; H430-K432 VanDerWaalsContact C-N 3.35Å; H430-R530 WeakPolarHBondContact O-CD 3.13Å; H430-R530 PolarHBondContact O-NH1 2.7Å
431	S	71.5	Confident	69.2	Low	69 Å²	69	76.5 Å²	76.5	48%	0.483	42%	0.421	S	S	.	.	S	Bend	trans	-70.5	-30.1	177.9	65.9	0	0	0	0	112.7	R530	S431-R530 PolarHBondContact O-NH1 3.24Å
432	K	76.3	Confident	71.3	Confident	171 Å²	171	75.6 Å²	75.6	74%	0.743	42%	0.417	S	S	*	.	S	Bend	trans	-126.9	133.3	177.1	-66.7	-165.3	176.8	-171.9	0	112.1	H430	H430-K432 VanDerWaalsContact C-N 3.35Å
433	L	81.9	Confident	73.3	Confident	50 Å²	50	76.4 Å²	76.4	26%	0.262	42%	0.421	S	S	.	.			trans	-94.7	134.4	174.6	-68.5	167.1	0	0	0	110.2	I436 L439 I511 R530	L433-I436 HydrophobicContact CB-CD1 4.47Å; L433-I436 HydrophobicContact CD1-CD1 4.11Å; L433-L439 HydrophobicContact CB-CD2 4.45Å; L433-L439 HydrophobicContact CD1-CD2 4.21Å; L433-I511 HydrophobicContact CD1-CB 4.48Å; L433-I511 HydrophobicContact CD1-CG1 4.36Å; L433-R530 VanDerWaalsContact CD1-NH2 3.34Å
434	K	74.2	Confident	75.4	Confident	207 Å²	207	74.5 Å²	74.5	90%	0.9	40%	0.402	S	S	*	.			trans	-110.1	142.6	171.3	-74	-173.4	177.1	-177.3	0	109.9
435	G	75.9	Confident	77.4	Confident	79 Å²	79	72.3 Å²	72.3	81%	0.814	39%	0.392	S	S	*	.	S	Bend	trans	87.1	15.9	170.4	0	0	0	0	0	116.4	P437	G435-P437 WeakPolarHBondContact O-CD 3.35Å
436	I	84.2	Confident	79.3	Confident	20 Å²	20	72.3 Å²	72.3	10%	0.103	39%	0.393	C	S	.	.			trans	-103.6	104.5	169.9	-57.5	-177.7	0	0	0	108.1	L433 L439 F482 N507 K510 I511	L433-I436 HydrophobicContact CB-CD1 4.47Å; L433-I436 HydrophobicContact CD1-CD1 4.11Å; I436-L439 HydrophobicContact CB-CB 4.34Å; I436-L439 HydrophobicContact CB-CD2 4.41Å; I436-L439 HydrophobicContact CG2-CB 4Å; I436-F482 HydrophobicContact CG2-CD2 4.3Å; I436-F482 HydrophobicContact CG2-CE2 3.73Å; I436-F482 HydrophobicContact CG2-CZ 4.48Å; I436-N507 HydrophobicContact CG2-CB 4.06Å; I436-K510 HydrophobicContact CD1-CB 3.76Å; I436-K510 HydrophobicContact CD1-CD 4.25Å; I436-I511 HydrophobicContact CD1-CD1 4.4Å; I436-I511 HydrophobicContact CD1-CG1 3.69Å; I436-I511 HydrophobicContact CG2-CD1 4.12Å; I436-I511 HydrophobicContact CG2-CG1 4.43Å
437	P	80.9	Confident	81.2	Confident	91 Å²	91	71.4 Å²	71.4	59%	0.591	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	144.5	-179.9	-18.2	30.1	0	0	0	110.8	G435 L439	G435-P437 WeakPolarHBondContact O-CD 3.35Å; P437-L439 PolarHBondContact O-N 3.46Å; P437-L439 VanDerWaalsContact O-N 3.12Å
438	K	90.3	Very high	82.9	Confident	104 Å²	104	74.2 Å²	74.2	45%	0.452	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-2.9	174.1	-50.8	178	170.3	-168.8	0	117.2	E440 D461 K464 P483	K438-E440 PolarHBondContact O-N 3.28Å; K438-D461 WeakPolarHBondContact CD-OD1 3.36Å; K438-D461 WeakPolarHBondContact CE-OD1 3.28Å; K438-D461 IonicContact NZ-OD1 3.4Å; K438-D461 PolarHBondContact NZ-OD1 2.75Å; K438-D461 IonicContact NZ-OD2 2.74Å; K438-D461 PolarHBondContact NZ-OD2 3Å; K438-K464 WeakPolarHBondContact O-CE 3.3Å; K438-K464 PolarHBondContact O-NZ 2.84Å; K438-P483 HydrophobicContact CB-CG 3.79Å; K438-P483 HydrophobicContact CD-CG 3.86Å
439	L	93.5	Very high	84.6	Confident	28 Å²	28	73.8 Å²	73.8	15%	0.147	38%	0.384	C	S	.	.			trans	-66.6	126.7	171.2	171.7	65.9	0	0	0	110.4	L433 I436 P437 D441 L455 F482 I511	L433-L439 HydrophobicContact CB-CD2 4.45Å; L433-L439 HydrophobicContact CD1-CD2 4.21Å; I436-L439 HydrophobicContact CB-CB 4.34Å; I436-L439 HydrophobicContact CB-CD2 4.41Å; I436-L439 HydrophobicContact CG2-CB 4Å; P437-L439 PolarHBondContact O-N 3.46Å; P437-L439 VanDerWaalsContact O-N 3.12Å; L439-D441 HydrophobicContact CD2-CB 4.16Å; L439-D441 HydrophobicContact CG-CB 4.15Å; L439-L455 HydrophobicContact CD1-CD1 4.44Å; L439-F482 HydrophobicContact CB-CD2 4.17Å; L439-F482 HydrophobicContact CD1-CB 4.3Å; L439-I511 HydrophobicContact CD1-CD1 4.12Å; L439-I511 HydrophobicContact CD1-CG1 4.16Å; L439-I511 HydrophobicContact CD1-CG2 3.83Å; L439-I511 HydrophobicContact CD2-CG1 3.98Å; L439-I511 HydrophobicContact CD2-CG2 4.5Å
440	E	93	Very high	85.8	Confident	74 Å²	74	70.2 Å²	70.2	35%	0.346	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-102.7	105.8	160.1	-61.9	-65.8	153.9	0	0	107.3	K438 K464 V468 F471 G480 V481	K438-E440 PolarHBondContact O-N 3.28Å; E440-K464 IonicContact OE1-NZ 2.76Å; E440-K464 PolarHBondContact OE1-NZ 3.38Å; E440-V468 HydrophobicContact CG-CG2 4.19Å; E440-F471 HydrophobicContact CB-CE2 4.39Å; E440-G480 CarbonylContact O-C 3.58Å; E440-G480 WeakPolarHBondContact O-CA 3.27Å; E440-V481 HydrophobicContact CB-CG1 3.74Å; E440-V481 HydrophobicContact CG-CG1 3.97Å; E440-V481 PolarHBondContact N-O 3.45Å; E440-V481 PolarHBondContact O-N 2.92Å
441	D	93.3	Very high	86.8	Confident	41 Å²	41	70 Å²	70	22%	0.219	37%	0.368	C	S	.	.			trans	-86.8	139.5	-172.5	-154.6	23.6	0	0	0	110.9	L439 A445 R530 Y531	L439-D441 HydrophobicContact CD2-CB 4.16Å; L439-D441 HydrophobicContact CG-CB 4.15Å; D441-A445 WeakPolarHBondContact OD1-CB 3.41Å; D441-R530 IonicContact OD1-NH2 3.27Å; D441-R530 PolarHBondContact OD1-NH2 2.81Å; D441-R530 IonicContact OD2-CZ 3.86Å; D441-R530 IonicContact OD2-NH1 2.75Å; D441-R530 IonicContact OD2-NH2 3.38Å; D441-R530 PolarHBondContact OD2-NH2 3.11Å; D441-Y531 PolarHBondContact OD1-OH 3.22Å
442	A	93.9	Very high	87.8	Confident	3 Å²	3	69.6 Å²	69.6	3%	0.025	36%	0.364	C	S	.	.			trans	-65.6	141.6	173.7	0	0	0	0	0	110.1	E444 A445 R476 D477 Y531	A442-E444 PolarHBondContact O-N 3.45Å; A442-A445 HydrophobicContact CB-CB 4.1Å; A442-A445 VanDerWaalsContact O-CB 3.23Å; A442-A445 WeakPolarHBondContact O-CB 3.49Å; A442-A445 PolarHBondContact O-N 2.86Å; A442-R476 CarbonylContact C-O 3.58Å; A442-R476 VanDerWaalsContact CA-O 3.3Å; A442-R476 WeakPolarHBondContact CA-O 3.41Å; A442-D477 WeakPolarHBondContact CB-O 3.47Å; A442-Y531 HydrophobicContact CB-CE1 3.89Å; A442-Y531 PolarHBondContact N-OH 2.91Å
443	N	92.5	Very high	88.7	Confident	99 Å²	99	61.4 Å²	61.4	53%	0.529	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.4	-176	-61.4	-39.6	0	0	0	112.5	R476 D477	N443-R476 PolarHBondContact N-O 2.95Å; N443-D477 PolarHBondContact N-O 3.39Å; N443-D477 PolarHBondContact ND2-OD1 3.34Å
444	E	93.4	Very high	89.4	Confident	52 Å²	52	59.3 Å²	59.3	24%	0.243	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3	178	-66.5	-67.2	151.6	0	0	113.5	A442 G446 T447 N449 C453 D477 Y478	A442-E444 PolarHBondContact O-N 3.45Å; E444-G446 PolarHBondContact O-N 2.93Å; E444-T447 PolarHBondContact O-N 2.75Å; E444-T447 VanDerWaalsContact O-N 3.14Å; E444-T447 PolarHBondContact O-OG1 3.07Å; E444-T447 PolarHBondContact OE2-OG1 2.82Å; E444-N449 HydrophobicContact CB-CB 4.09Å; E444-N449 HydrophobicContact CG-CB 4.3Å; E444-N449 WeakPolarHBondContact OE2-CB 3.31Å; E444-N449 PolarHBondContact OE2-ND2 3.12Å; E444-C453 VanDerWaalsContact C-SG 3.54Å; E444-D477 VanDerWaalsContact CB-O 3.29Å; E444-D477 WeakPolarHBondContact CB-O 3.23Å; E444-D477 HydrophobicContact CG-CB 4.36Å; E444-D477 PolarHBondContact N-O 2.94Å; E444-Y478 HydrophobicContact CB-CD1 4.38Å; E444-Y478 HydrophobicContact CB-CE1 4.36Å; E444-Y478 HydrophobicContact CG-CD1 4.49Å; E444-Y478 HydrophobicContact CG-CE1 4.1Å
445	A	90.8	Very high	90.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	131.1	175.9	0	0	0	0	0	110.6	D441 A442 T447 Y531	D441-A445 WeakPolarHBondContact OD1-CB 3.41Å; A442-A445 HydrophobicContact CB-CB 4.1Å; A442-A445 VanDerWaalsContact O-CB 3.23Å; A442-A445 WeakPolarHBondContact O-CB 3.49Å; A442-A445 PolarHBondContact O-N 2.86Å; A445-T447 VanDerWaalsContact C-N 3.27Å; A445-T447 PolarHBondContact O-N 2.74Å; A445-Y531 HydrophobicContact CB-CD2 4.47Å; A445-Y531 HydrophobicContact CB-CE1 4.21Å; A445-Y531 HydrophobicContact CB-CE2 3.75Å
446	G	86.5	Confident	91.5	Very high	8 Å²	8	45.7 Å²	45.7	8%	0.082	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-5.4	-176.5	0	0	0	0	0	116.4	K429 E444 S450 R530	K429-G446 WeakPolarHBondContact CD-O 3.37Å; E444-G446 PolarHBondContact O-N 2.93Å; G446-S450 VanDerWaalsContact C-OG 3.25Å; G446-S450 VanDerWaalsContact CA-OG 3.27Å; G446-S450 WeakPolarHBondContact CA-OG 3.44Å; G446-S450 PolarHBondContact N-OG 3.3Å; G446-R530 PolarHBondContact N-O 3.48Å
447	T	90.3	Very high	92.1	Very high	38 Å²	38	44.9 Å²	44.9	23%	0.233	23%	0.232	C	C	.	.	S	Bend	trans	-84.3	-164.8	176.4	80.5	0	0	0	0	112.2	K429 E444 A445 N449 S450	K429-T447 PolarHBondContact NZ-O 3.4Å; E444-T447 PolarHBondContact O-N 2.75Å; E444-T447 VanDerWaalsContact O-N 3.14Å; E444-T447 PolarHBondContact O-OG1 3.07Å; E444-T447 PolarHBondContact OE2-OG1 2.82Å; A445-T447 VanDerWaalsContact C-N 3.27Å; A445-T447 PolarHBondContact O-N 2.74Å; T447-N449 PolarHBondContact O-N 2.92Å; T447-N449 PolarHBondContact OG1-N 3.46Å; T447-S450 PolarHBondContact N-OG 3.35Å; T447-S450 VanDerWaalsContact N-OG 3.07Å; T447-S450 PolarHBondContact O-OG 3.43Å
448	K	88.1	Confident	92.7	Very high	186 Å²	186	40.6 Å²	40.6	81%	0.809	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.7	169.4	28	-179.8	174.1	177.3	0	112.4	H451	K448-H451 PolarHBondContact O-ND1 2.99Å
449	N	91.2	Very high	92.7	Very high	55 Å²	55	37.7 Å²	37.7	29%	0.294	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	9.5	-178.4	-60.3	-35.3	0	0	0	113.8	E444 T447 H451 S452 Y478	E444-N449 HydrophobicContact CB-CB 4.09Å; E444-N449 HydrophobicContact CG-CB 4.3Å; E444-N449 WeakPolarHBondContact OE2-CB 3.31Å; E444-N449 PolarHBondContact OE2-ND2 3.12Å; T447-N449 PolarHBondContact O-N 2.92Å; T447-N449 PolarHBondContact OG1-N 3.46Å; N449-H451 PolarHBondContact O-N 3.37Å; N449-H451 VanDerWaalsContact O-N 3.09Å; N449-S452 PolarHBondContact O-N 2.94Å; N449-Y478 HydrophobicContact CB-CE1 4.29Å
450	S	91	Very high	92.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56	-30.1	-178.7	-59.8	0	0	0	0	114.8	K429 G446 T447 S452 C453 L529 R530 G532	K429-S450 VanDerWaalsContact CE-OG 3.29Å; K429-S450 WeakPolarHBondContact CE-OG 3.46Å; K429-S450 PolarHBondContact NZ-OG 3.12Å; G446-S450 VanDerWaalsContact C-OG 3.25Å; G446-S450 VanDerWaalsContact CA-OG 3.27Å; G446-S450 WeakPolarHBondContact CA-OG 3.44Å; G446-S450 PolarHBondContact N-OG 3.3Å; T447-S450 PolarHBondContact N-OG 3.35Å; T447-S450 VanDerWaalsContact N-OG 3.07Å; T447-S450 PolarHBondContact O-OG 3.43Å; S450-S452 PolarHBondContact O-N 3.34Å; S450-C453 WeakPolarHBondContact O-CB 3.25Å; S450-C453 PolarHBondContact O-N 2.67Å; S450-L529 VanDerWaalsContact CB-O 3.23Å; S450-L529 WeakPolarHBondContact CB-O 3.37Å; S450-R530 WeakPolarHBondContact CB-O 3.49Å; S450-R530 PolarHBondContact OG-O 3.27Å; S450-G532 PolarHBondContact O-N 2.92Å
451	H	89.9	Confident	92.2	Very high	96 Å²	96	37.6 Å²	37.6	44%	0.444	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-63.1	-23.3	178.6	67.4	-80.1	0	0	0	112.8	K448 N449	K448-H451 PolarHBondContact O-ND1 2.99Å; N449-H451 PolarHBondContact O-N 3.37Å; N449-H451 VanDerWaalsContact O-N 3.09Å
452	S	92.7	Very high	91.8	Very high	59 Å²	59	39 Å²	39	41%	0.413	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-89.6	-10.7	174.4	-55.2	0	0	0	0	113	N449 S450	N449-S452 PolarHBondContact O-N 2.94Å; S450-S452 PolarHBondContact O-N 3.34Å
453	C	95.6	Very high	91.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.			trans	-81	139.3	-177.3	-61.6	0	0	0	0	111.5	E444 S450 Y478 Y531 G532 K533	E444-C453 VanDerWaalsContact C-SG 3.54Å; S450-C453 WeakPolarHBondContact O-CB 3.25Å; S450-C453 PolarHBondContact O-N 2.67Å; C453-Y478 CarbonylContact C-O 3.55Å; C453-Y478 VanDerWaalsContact CA-O 3.26Å; C453-Y478 WeakPolarHBondContact CA-O 3.49Å; C453-Y531 HydrophobicContact CB-CD1 3.68Å; C453-Y531 HydrophobicContact CB-CE1 4.1Å; C453-Y531 HydrophobicContact CB-CG 4.45Å; C453-G532 PolarHBondContact O-N 2.88Å; C453-K533 PolarHBondContact O-N 3.36Å
454	T	96.2	Very high	91.4	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.5	176.9	-54.8	0	0	0	0	110.3	Y478 Y479 G480 Y531 K533 M535	T454-Y478 PolarHBondContact N-O 3.02Å; T454-Y479 HydrophobicContact CG2-CD1 4.43Å; T454-Y479 HydrophobicContact CG2-CE1 4.32Å; T454-Y479 WeakPolarHBondContact O-CA 3.41Å; T454-G480 PolarHBondContact O-N 2.81Å; T454-Y531 VanDerWaalsContact C-CD1 3.41Å; T454-K533 WeakPolarHBondContact CA-O 3.43Å; T454-K533 HydrophobicContact CG2-CB 4.03Å; T454-M535 HydrophobicContact CG2-CB 3.71Å; T454-M535 HydrophobicContact CG2-CE 4.27Å
455	L	96.9	Very high	91.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.1	172.5	178.9	67.7	0	0	0	109.2	L439 L457 F482 I511 I512 Y531 K533 V534 M535	L439-L455 HydrophobicContact CD1-CD1 4.44Å; L455-L457 HydrophobicContact CD2-CD2 3.87Å; L455-L457 HydrophobicContact CD2-CG 4.46Å; L455-L457 HydrophobicContact CG-CD2 4.21Å; L455-F482 HydrophobicContact CD1-CB 4.35Å; L455-I511 HydrophobicContact CD1-CG2 3.66Å; L455-I511 HydrophobicContact CD2-CB 4.29Å; L455-I511 HydrophobicContact CD2-CG2 3.54Å; L455-I511 HydrophobicContact CG-CG2 4.23Å; L455-I512 HydrophobicContact CD2-CD1 4.25Å; L455-I512 HydrophobicContact CD2-CG1 3.65Å; L455-Y531 HydrophobicContact CB-CD1 3.64Å; L455-Y531 HydrophobicContact CB-CD2 4.14Å; L455-Y531 HydrophobicContact CB-CE1 3.93Å; L455-Y531 HydrophobicContact CB-CE2 4.43Å; L455-Y531 HydrophobicContact CB-CG 3.74Å; L455-Y531 HydrophobicContact CD1-CE1 4.35Å; L455-Y531 HydrophobicContact CD1-CE2 4.27Å; L455-Y531 VanDerWaalsContact N-CD1 3.28Å; L455-K533 PolarHBondContact N-O 2.92Å; L455-V534 CarbonylContact O-C 3.56Å; L455-V534 WeakPolarHBondContact O-CA 3.45Å; L455-M535 PolarHBondContact O-N 3.5Å
456	I	97	Very high	91.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117	173.2	-51.8	-179.4	0	0	0	108.7	T458 A467 F471 Y479 G480 V481 F482 M535 M537 F626	I456-T458 HydrophobicContact CG2-CG2 3.85Å; I456-A467 HydrophobicContact CD1-CB 4.43Å; I456-A467 HydrophobicContact CG2-CB 4.5Å; I456-F471 HydrophobicContact CD1-CE1 3.96Å; I456-Y479 HydrophobicContact CD1-CD1 4.35Å; I456-G480 PolarHBondContact N-O 3.42Å; I456-V481 HydrophobicContact CB-CB 4.3Å; I456-V481 HydrophobicContact CB-CG2 4.2Å; I456-V481 HydrophobicContact CG2-CG2 4.43Å; I456-V481 CarbonylContact O-C 3.59Å; I456-V481 VanDerWaalsContact O-CA 3.27Å; I456-V481 WeakPolarHBondContact O-CA 3.15Å; I456-V481 WeakPolarHBondContact O-CG2 3.23Å; I456-F482 PolarHBondContact O-N 3.26Å; I456-M535 CarbonylContact C-O 3.24Å; I456-M535 VanDerWaalsContact CA-O 3.27Å; I456-M535 WeakPolarHBondContact CA-O 3.47Å; I456-M535 HydrophobicContact CG1-CB 4.38Å; I456-M535 HydrophobicContact CG1-SD 4.45Å; I456-M537 HydrophobicContact CG2-CB 3.69Å; I456-M537 HydrophobicContact CG2-SD 4.19Å; I456-F626 HydrophobicContact CD1-CE1 4.09Å; I456-F626 HydrophobicContact CD1-CZ 4.19Å
457	L	96.5	Very high	91.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.4	171	-65.1	179.4	0	0	0	108.8	L455 F482 I508 V534 M535 M537 V551	L455-L457 HydrophobicContact CD2-CD2 3.87Å; L455-L457 HydrophobicContact CD2-CG 4.46Å; L455-L457 HydrophobicContact CG-CD2 4.21Å; L457-F482 WeakPolarHBondContact CA-O 3.11Å; L457-F482 HydrophobicContact CD2-CB 4.17Å; L457-F482 HydrophobicContact CD2-CD1 4.13Å; L457-I508 HydrophobicContact CD2-CG1 4.41Å; L457-V534 HydrophobicContact CD1-CG1 3.6Å; L457-V534 HydrophobicContact CG-CG1 3.92Å; L457-M535 PolarHBondContact N-O 3.44Å; L457-M537 PolarHBondContact O-N 2.91Å; L457-V551 HydrophobicContact CD1-CG1 4.04Å
458	T	94.1	Very high	91.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.9	-174.5	61.5	0	0	0	0	113.1	I456 G460 A463 K464 A467 V481 F482 P483 L484 M537	I456-T458 HydrophobicContact CG2-CG2 3.85Å; T458-G460 PolarHBondContact O-N 3.1Å; T458-G460 PolarHBondContact OG1-O 3.5Å; T458-A463 HydrophobicContact CG2-CB 4.29Å; T458-K464 PolarHBondContact OG1-N 2.92Å; T458-A467 HydrophobicContact CG2-CB 4.26Å; T458-V481 HydrophobicContact CG2-CG2 3.49Å; T458-V481 VanDerWaalsContact CG2-CG2 3.49Å; T458-F482 PolarHBondContact N-O 2.93Å; T458-P483 WeakPolarHBondContact O-CA 3.39Å; T458-P483 WeakPolarHBondContact OG1-CA 3.49Å; T458-L484 PolarHBondContact O-N 3.43Å; T458-M537 VanDerWaalsContact CA-O 3.3Å; T458-M537 WeakPolarHBondContact CA-O 3.46Å; T458-M537 HydrophobicContact CG2-CB 4.2Å; T458-M537 HydrophobicContact CG2-CE 3.98Å
459	E	90.4	Very high	91.6	Very high	42 Å²	42	30.3 Å²	30.3	20%	0.196	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	99.3	169.9	-177.9	170.9	-168.5	0	0	110.8	A463 M537 A538 D539 G544 I547	E459-A463 VanDerWaalsContact O-CB 3.3Å; E459-A463 WeakPolarHBondContact O-CB 3.45Å; E459-M537 PolarHBondContact N-O 3.05Å; E459-A538 HydrophobicContact CB-CB 4.34Å; E459-D539 PolarHBondContact OE2-N 3.46Å; E459-G544 WeakPolarHBondContact OE2-CA 3.42Å; E459-I547 HydrophobicContact CB-CD1 4.21Å; E459-I547 HydrophobicContact CG-CD1 3.61Å; E459-I547 WeakPolarHBondContact OE1-CD1 3Å
460	G	88.4	Confident	91.5	Very high	25 Å²	25	27.7 Å²	27.7	26%	0.258	17%	0.166	S	C	.	.	H	α-helix	trans	71.3	-178.8	179.9	0	0	0	0	0	115.1	T458 S462 K464 P483 L484	T458-G460 PolarHBondContact O-N 3.1Å; T458-G460 PolarHBondContact OG1-O 3.5Å; G460-S462 VanDerWaalsContact C-N 3.35Å; G460-K464 PolarHBondContact O-N 3.44Å; G460-P483 WeakPolarHBondContact O-CB 3.35Å; G460-L484 VanDerWaalsContact CA-O 3.26Å; G460-L484 WeakPolarHBondContact CA-O 3.19Å; G460-L484 PolarHBondContact N-O 3.23Å
461	D	88.1	Confident	91.5	Very high	75 Å²	75	28.2 Å²	28.2	40%	0.401	17%	0.168	S	C	.	.	H	α-helix	trans	-76.3	-23.1	-177.2	-65.8	-38.3	0	0	0	112.9	K438 K464 T465	K438-D461 WeakPolarHBondContact CD-OD1 3.36Å; K438-D461 WeakPolarHBondContact CE-OD1 3.28Å; K438-D461 IonicContact NZ-OD1 3.4Å; K438-D461 PolarHBondContact NZ-OD1 2.75Å; K438-D461 IonicContact NZ-OD2 2.74Å; K438-D461 PolarHBondContact NZ-OD2 3Å; D461-K464 WeakPolarHBondContact O-CB 3.49Å; D461-K464 PolarHBondContact O-N 2.81Å; D461-T465 PolarHBondContact O-N 2.98Å; D461-T465 VanDerWaalsContact O-N 3.15Å; D461-T465 PolarHBondContact O-OG1 3.44Å
462	S	84.8	Confident	91.5	Very high	71 Å²	71	27.5 Å²	27.5	50%	0.497	17%	0.174	S	C	.	.	H	α-helix	trans	-66.3	-51.5	179	-160.7	0	0	0	0	110.8	G460 K464 T465 L466 G615	G460-S462 VanDerWaalsContact C-N 3.35Å; S462-K464 VanDerWaalsContact C-N 3.31Å; S462-K464 PolarHBondContact O-N 3.4Å; S462-T465 WeakPolarHBondContact O-CB 3.3Å; S462-T465 PolarHBondContact O-N 2.87Å; S462-T465 VanDerWaalsContact O-N 3.11Å; S462-L466 PolarHBondContact O-N 3.18Å; S462-G615 WeakPolarHBondContact OG-CA 3.45Å
463	A	87.1	Confident	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-36.2	173.5	0	0	0	0	0	112.4	T458 E459 T465 L466 A467 M537 L614	T458-A463 HydrophobicContact CG2-CB 4.29Å; E459-A463 VanDerWaalsContact O-CB 3.3Å; E459-A463 WeakPolarHBondContact O-CB 3.45Å; A463-T465 VanDerWaalsContact C-N 3.27Å; A463-T465 PolarHBondContact O-N 3.49Å; A463-L466 WeakPolarHBondContact O-CB 3.2Å; A463-L466 PolarHBondContact O-N 2.96Å; A463-A467 PolarHBondContact O-N 3.4Å; A463-A467 VanDerWaalsContact O-N 3.12Å; A463-M537 HydrophobicContact CB-CE 4.14Å; A463-M537 WeakPolarHBondContact O-CE 3.5Å; A463-L614 HydrophobicContact CB-CB 4.05Å; A463-L614 HydrophobicContact CB-CD1 3.51Å; A463-L614 HydrophobicContact CB-CG 4.44Å
464	K	91	Very high	91.2	Very high	28 Å²	28	29.9 Å²	29.9	12%	0.122	19%	0.186	C	C	.	.	H	α-helix	trans	-54.9	-44.4	173	-178.6	-169.3	168.6	-179.9	0	111.6	K438 E440 T458 G460 D461 S462 L466 A467 V468 V481 P483	K438-K464 WeakPolarHBondContact O-CE 3.3Å; K438-K464 PolarHBondContact O-NZ 2.84Å; E440-K464 IonicContact OE1-NZ 2.76Å; E440-K464 PolarHBondContact OE1-NZ 3.38Å; T458-K464 PolarHBondContact OG1-N 2.92Å; G460-K464 PolarHBondContact O-N 3.44Å; D461-K464 WeakPolarHBondContact O-CB 3.49Å; D461-K464 PolarHBondContact O-N 2.81Å; S462-K464 VanDerWaalsContact C-N 3.31Å; S462-K464 PolarHBondContact O-N 3.4Å; K464-L466 VanDerWaalsContact C-N 3.27Å; K464-L466 PolarHBondContact O-N 2.87Å; K464-A467 PolarHBondContact O-N 2.95Å; K464-A467 VanDerWaalsContact O-N 3.15Å; K464-V468 HydrophobicContact CG-CG2 4.24Å; K464-V468 WeakPolarHBondContact O-CG2 3.47Å; K464-V468 PolarHBondContact O-N 3.28Å; K464-V481 HydrophobicContact CG-CG1 3.99Å; K464-V481 HydrophobicContact CG-CG2 4.08Å; K464-P483 HydrophobicContact CB-CB 4.21Å; K464-P483 HydrophobicContact CD-CG 3.98Å
465	T	89.9	Confident	90.9	Very high	90 Å²	90	31 Å²	31	55%	0.552	20%	0.199	S	C	*	.	H	α-helix	trans	-64.8	-34.9	-176.2	-53.4	0	0	0	0	111.5	D461 S462 A463 S469	D461-T465 PolarHBondContact O-N 2.98Å; D461-T465 VanDerWaalsContact O-N 3.15Å; D461-T465 PolarHBondContact O-OG1 3.44Å; S462-T465 WeakPolarHBondContact O-CB 3.3Å; S462-T465 PolarHBondContact O-N 2.87Å; S462-T465 VanDerWaalsContact O-N 3.11Å; A463-T465 VanDerWaalsContact C-N 3.27Å; A463-T465 PolarHBondContact O-N 3.49Å; T465-S469 PolarHBondContact O-N 2.79Å; T465-S469 PolarHBondContact O-OG 2.92Å
466	L	90.6	Very high	90.7	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-45.9	172.3	-172.1	127.9	0	0	0	111.7	S462 A463 K464 S469 G470 M537 L614 S617 A622 F626	S462-L466 PolarHBondContact O-N 3.18Å; A463-L466 WeakPolarHBondContact O-CB 3.2Å; A463-L466 PolarHBondContact O-N 2.96Å; K464-L466 VanDerWaalsContact C-N 3.27Å; K464-L466 PolarHBondContact O-N 2.87Å; L466-S469 WeakPolarHBondContact O-CB 3.4Å; L466-S469 PolarHBondContact O-N 2.88Å; L466-G470 PolarHBondContact O-N 3.03Å; L466-M537 HydrophobicContact CB-CE 3.99Å; L466-M537 HydrophobicContact CD2-CE 3.4Å; L466-M537 VanDerWaalsContact CD2-CE 3.4Å; L466-M537 HydrophobicContact CD2-SD 4.02Å; L466-M537 HydrophobicContact CG-CE 4.3Å; L466-L614 WeakPolarHBondContact CD1-O 3.29Å; L466-S617 VanDerWaalsContact CD1-CB 3.44Å; L466-A622 HydrophobicContact CD1-CB 4.08Å; L466-A622 HydrophobicContact CD2-CB 4.47Å; L466-A622 HydrophobicContact CG-CB 3.74Å; L466-F626 HydrophobicContact CD2-CE2 4.27Å
467	A	91.4	Very high	90.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-43.8	177.1	0	0	0	0	0	112.3	I456 T458 A463 K464 S469 G470 F471 V481 M537 F626	I456-A467 HydrophobicContact CD1-CB 4.43Å; I456-A467 HydrophobicContact CG2-CB 4.5Å; T458-A467 HydrophobicContact CG2-CB 4.26Å; A463-A467 PolarHBondContact O-N 3.4Å; A463-A467 VanDerWaalsContact O-N 3.12Å; K464-A467 PolarHBondContact O-N 2.95Å; K464-A467 VanDerWaalsContact O-N 3.15Å; A467-S469 VanDerWaalsContact C-N 3.27Å; A467-S469 PolarHBondContact O-N 2.88Å; A467-G470 CarbonylContact O-C 3.47Å; A467-G470 WeakPolarHBondContact O-CA 3.22Å; A467-G470 PolarHBondContact O-N 3.16Å; A467-F471 VanDerWaalsContact O-CD1 3.27Å; A467-F471 WeakPolarHBondContact O-CD1 3.42Å; A467-F471 PolarHBondContact O-N 2.99Å; A467-V481 HydrophobicContact CB-CB 4.29Å; A467-V481 HydrophobicContact CB-CG2 3.86Å; A467-M537 HydrophobicContact CB-CE 3.92Å; A467-M537 HydrophobicContact CB-SD 4.24Å; A467-F626 HydrophobicContact CB-CZ 4.4Å
468	V	91.4	Very high	90.5	Very high	44 Å²	44	45.9 Å²	45.9	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-37.1	176.6	174.4	0	0	0	0	111.4	E440 K464 G470 F471 V481	E440-V468 HydrophobicContact CG-CG2 4.19Å; K464-V468 HydrophobicContact CG-CG2 4.24Å; K464-V468 WeakPolarHBondContact O-CG2 3.47Å; K464-V468 PolarHBondContact O-N 3.28Å; V468-G470 VanDerWaalsContact C-N 3.33Å; V468-F471 WeakPolarHBondContact O-CB 3.26Å; V468-F471 PolarHBondContact O-N 3.4Å; V468-V481 HydrophobicContact CG2-CG1 3.89Å
469	S	89.7	Confident	90.5	Very high	32 Å²	32	47.6 Å²	47.6	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-40.2	173.1	-60	0	0	0	0	111.4	T465 L466 A467 F471 S472	T465-S469 PolarHBondContact O-N 2.79Å; T465-S469 PolarHBondContact O-OG 2.92Å; L466-S469 WeakPolarHBondContact O-CB 3.4Å; L466-S469 PolarHBondContact O-N 2.88Å; A467-S469 VanDerWaalsContact C-N 3.27Å; A467-S469 PolarHBondContact O-N 2.88Å; S469-F471 VanDerWaalsContact C-N 3.28Å; S469-F471 PolarHBondContact O-N 3.29Å; S469-S472 WeakPolarHBondContact O-CB 3.35Å; S469-S472 PolarHBondContact O-N 3.31Å; S469-S472 PolarHBondContact O-OG 2.93Å
470	G	89.7	Confident	90.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-30.7	174.1	0	0	0	0	0	114.5	L466 A467 V468 S472 V473 V474	L466-G470 PolarHBondContact O-N 3.03Å; A467-G470 CarbonylContact O-C 3.47Å; A467-G470 WeakPolarHBondContact O-CA 3.22Å; A467-G470 PolarHBondContact O-N 3.16Å; V468-G470 VanDerWaalsContact C-N 3.33Å; G470-S472 PolarHBondContact O-N 2.92Å; G470-S472 VanDerWaalsContact O-N 3.12Å; G470-V473 WeakPolarHBondContact O-CB 3.44Å; G470-V473 PolarHBondContact O-N 3.3Å; G470-V474 PolarHBondContact O-N 3.49Å
471	F	91.2	Very high	91.1	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.044	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-19.6	177	-64.2	-12	0	0	0	113.9	E440 I456 A467 V468 S469 V473 V474 G475 R476 V481	E440-F471 HydrophobicContact CB-CE2 4.39Å; I456-F471 HydrophobicContact CD1-CE1 3.96Å; A467-F471 VanDerWaalsContact O-CD1 3.27Å; A467-F471 WeakPolarHBondContact O-CD1 3.42Å; A467-F471 PolarHBondContact O-N 2.99Å; V468-F471 WeakPolarHBondContact O-CB 3.26Å; V468-F471 PolarHBondContact O-N 3.4Å; S469-F471 VanDerWaalsContact C-N 3.28Å; S469-F471 PolarHBondContact O-N 3.29Å; F471-V473 PolarHBondContact O-N 2.96Å; F471-V474 HydrophobicContact CD1-CG2 4.15Å; F471-G475 VanDerWaalsContact O-CA 3.25Å; F471-G475 WeakPolarHBondContact O-CA 3.38Å; F471-G475 PolarHBondContact O-N 3.43Å; F471-R476 HydrophobicContact CB-CG 4.16Å; F471-R476 HydrophobicContact CD2-CG 4.27Å; F471-V481 HydrophobicContact CE2-CB 4.29Å; F471-V481 HydrophobicContact CE2-CG1 3.76Å; F471-V481 HydrophobicContact CZ-CB 3.81Å; F471-V481 HydrophobicContact CZ-CG1 3.79Å
472	S	88.6	Confident	91.5	Very high	82 Å²	82	41.2 Å²	41.2	57%	0.573	23%	0.229	S	C	*	.	H	α-helix	trans	-66.9	-14.9	171.2	65.2	0	0	0	0	113.6	S469 G470 K623	S469-S472 WeakPolarHBondContact O-CB 3.35Å; S469-S472 PolarHBondContact O-N 3.31Å; S469-S472 PolarHBondContact O-OG 2.93Å; G470-S472 PolarHBondContact O-N 2.92Å; G470-S472 VanDerWaalsContact O-N 3.12Å; S472-K623 WeakPolarHBondContact OG-CE 3.3Å
473	V	90.8	Very high	92	Very high	66 Å²	66	38.1 Å²	38.1	40%	0.4	21%	0.207	S	C	.	.	H	α-helix	trans	-103.5	-50	178.5	-177.5	0	0	0	0	111.3	G470 F471 K623 F626	G470-V473 WeakPolarHBondContact O-CB 3.44Å; G470-V473 PolarHBondContact O-N 3.3Å; F471-V473 PolarHBondContact O-N 2.96Å; V473-K623 HydrophobicContact CG2-CB 3.8Å; V473-K623 HydrophobicContact CG2-CG 3.91Å; V473-F626 HydrophobicContact CB-CB 4.18Å
474	V	90.8	Very high	92.3	Very high	42 Å²	42	38.3 Å²	38.3	26%	0.255	21%	0.208	S	C	.	.	H	α-helix	trans	-88.1	-10.7	-175.8	-64.3	0	0	0	0	114.6	G470 F471 Y479 F626 M629	G470-V474 PolarHBondContact O-N 3.49Å; F471-V474 HydrophobicContact CD1-CG2 4.15Å; V474-Y479 HydrophobicContact CB-CD2 3.84Å; V474-Y479 HydrophobicContact CB-CE2 3.76Å; V474-Y479 HydrophobicContact CG1-CE2 4.4Å; V474-Y479 HydrophobicContact CG2-CD2 3.61Å; V474-Y479 HydrophobicContact CG2-CE2 3.99Å; V474-Y479 HydrophobicContact CG2-CG 4.04Å; V474-F626 HydrophobicContact CG1-CB 4.36Å; V474-F626 HydrophobicContact CG1-CD1 3.95Å; V474-F626 HydrophobicContact CG2-CD1 3.86Å; V474-F626 HydrophobicContact CG2-CE1 4.33Å; V474-M629 HydrophobicContact CG1-CE 3.77Å
475	G	90	Very high	92	Very high	30 Å²	30	44.4 Å²	44.4	31%	0.309	23%	0.234	S	C	.	.			trans	80.5	167.3	-174.9	0	0	0	0	0	113.8	F471	F471-G475 VanDerWaalsContact O-CA 3.25Å; F471-G475 WeakPolarHBondContact O-CA 3.38Å; F471-G475 PolarHBondContact O-N 3.43Å
476	R	92.9	Very high	91.6	Very high	136 Å²	136	41.5 Å²	41.5	51%	0.513	22%	0.222	S	C	.	.	S	Bend	trans	-98.2	-5	-179.8	-68.8	-177.7	174.7	-174.2	-4.5	114	A442 N443 F471	A442-R476 CarbonylContact C-O 3.58Å; A442-R476 VanDerWaalsContact CA-O 3.3Å; A442-R476 WeakPolarHBondContact CA-O 3.41Å; N443-R476 PolarHBondContact N-O 2.95Å; F471-R476 HydrophobicContact CB-CG 4.16Å; F471-R476 HydrophobicContact CD2-CG 4.27Å
477	D	93.4	Very high	91.4	Very high	78 Å²	78	46.4 Å²	46.4	42%	0.417	24%	0.243	S	C	.	.	S	Bend	trans	-69.7	-42.5	-172.8	-66.5	-16.2	0	0	0	111.8	A442 N443 E444	A442-D477 WeakPolarHBondContact CB-O 3.47Å; N443-D477 PolarHBondContact N-O 3.39Å; N443-D477 PolarHBondContact ND2-OD1 3.34Å; E444-D477 VanDerWaalsContact CB-O 3.29Å; E444-D477 WeakPolarHBondContact CB-O 3.23Å; E444-D477 HydrophobicContact CG-CB 4.36Å; E444-D477 PolarHBondContact N-O 2.94Å
478	Y	95.6	Very high	91.2	Very high	101 Å²	101	46.7 Å²	46.7	40%	0.396	25%	0.245	S	C	.	.	S	Bend	trans	-112.7	0.6	-174.5	-56	-70.7	0	0	0	114.2	E444 N449 C453 T454	E444-Y478 HydrophobicContact CB-CD1 4.38Å; E444-Y478 HydrophobicContact CB-CE1 4.36Å; E444-Y478 HydrophobicContact CG-CD1 4.49Å; E444-Y478 HydrophobicContact CG-CE1 4.1Å; N449-Y478 HydrophobicContact CB-CE1 4.29Å; C453-Y478 CarbonylContact C-O 3.55Å; C453-Y478 VanDerWaalsContact CA-O 3.26Å; C453-Y478 WeakPolarHBondContact CA-O 3.49Å; T454-Y478 PolarHBondContact N-O 3.02Å
479	Y	95.8	Very high	91.2	Very high	37 Å²	37	47.1 Å²	47.1	15%	0.145	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128	-178.7	-69	-84.1	0	0	0	111.3	T454 I456 V474	T454-Y479 HydrophobicContact CG2-CD1 4.43Å; T454-Y479 HydrophobicContact CG2-CE1 4.32Å; T454-Y479 WeakPolarHBondContact O-CA 3.41Å; I456-Y479 HydrophobicContact CD1-CD1 4.35Å; V474-Y479 HydrophobicContact CB-CD2 3.84Å; V474-Y479 HydrophobicContact CB-CE2 3.76Å; V474-Y479 HydrophobicContact CG1-CE2 4.4Å; V474-Y479 HydrophobicContact CG2-CD2 3.61Å; V474-Y479 HydrophobicContact CG2-CE2 3.99Å; V474-Y479 HydrophobicContact CG2-CG 4.04Å
480	G	95.5	Very high	91.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	161.7	171.3	0	0	0	0	0	110.7	E440 T454 I456	E440-G480 CarbonylContact O-C 3.58Å; E440-G480 WeakPolarHBondContact O-CA 3.27Å; T454-G480 PolarHBondContact O-N 2.81Å; I456-G480 PolarHBondContact N-O 3.42Å
481	V	96.1	Very high	91.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.5	176.6	64.2	0	0	0	0	112.6	E440 I456 T458 K464 A467 V468 F471	E440-V481 HydrophobicContact CB-CG1 3.74Å; E440-V481 HydrophobicContact CG-CG1 3.97Å; E440-V481 PolarHBondContact N-O 3.45Å; E440-V481 PolarHBondContact O-N 2.92Å; I456-V481 HydrophobicContact CB-CB 4.3Å; I456-V481 HydrophobicContact CB-CG2 4.2Å; I456-V481 HydrophobicContact CG2-CG2 4.43Å; I456-V481 CarbonylContact O-C 3.59Å; I456-V481 VanDerWaalsContact O-CA 3.27Å; I456-V481 WeakPolarHBondContact O-CA 3.15Å; I456-V481 WeakPolarHBondContact O-CG2 3.23Å; T458-V481 HydrophobicContact CG2-CG2 3.49Å; T458-V481 VanDerWaalsContact CG2-CG2 3.49Å; K464-V481 HydrophobicContact CG-CG1 3.99Å; K464-V481 HydrophobicContact CG-CG2 4.08Å; A467-V481 HydrophobicContact CB-CB 4.29Å; A467-V481 HydrophobicContact CB-CG2 3.86Å; V468-V481 HydrophobicContact CG2-CG1 3.89Å; F471-V481 HydrophobicContact CE2-CB 4.29Å; F471-V481 HydrophobicContact CE2-CG1 3.76Å; F471-V481 HydrophobicContact CZ-CB 3.81Å; F471-V481 HydrophobicContact CZ-CG1 3.79Å
482	F	96	Very high	91	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.039	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	124.7	174.2	-177.5	-106.3	0	0	0	111.8	I436 L439 L455 I456 L457 T458 N507 I508 I511	I436-F482 HydrophobicContact CG2-CD2 4.3Å; I436-F482 HydrophobicContact CG2-CE2 3.73Å; I436-F482 HydrophobicContact CG2-CZ 4.48Å; L439-F482 HydrophobicContact CB-CD2 4.17Å; L439-F482 HydrophobicContact CD1-CB 4.3Å; L455-F482 HydrophobicContact CD1-CB 4.35Å; I456-F482 PolarHBondContact O-N 3.26Å; L457-F482 WeakPolarHBondContact CA-O 3.11Å; L457-F482 HydrophobicContact CD2-CB 4.17Å; L457-F482 HydrophobicContact CD2-CD1 4.13Å; T458-F482 PolarHBondContact N-O 2.93Å; F482-N507 HydrophobicContact CE1-CB 4.37Å; F482-N507 HydrophobicContact CE2-CB 4.45Å; F482-N507 HydrophobicContact CZ-CB 3.83Å; F482-I508 HydrophobicContact CD1-CG1 4.22Å; F482-I508 HydrophobicContact CE1-CG1 4.1Å; F482-I511 HydrophobicContact CB-CD1 4.02Å; F482-I511 HydrophobicContact CD1-CD1 3.89Å; F482-I511 HydrophobicContact CD2-CD1 3.58Å; F482-I511 HydrophobicContact CE1-CD1 4.24Å; F482-I511 HydrophobicContact CE2-CD1 3.97Å; F482-I511 HydrophobicContact CG-CD1 3.54Å; F482-I511 HydrophobicContact CZ-CD1 4.28Å
483	P	95.1	Very high	90.6	Very high	6 Å²	6	48 Å²	48	4%	0.039	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.9	179.4	32	-32.2	0	0	0	112.6	K438 T458 G460 K464	K438-P483 HydrophobicContact CB-CG 3.79Å; K438-P483 HydrophobicContact CD-CG 3.86Å; T458-P483 WeakPolarHBondContact O-CA 3.39Å; T458-P483 WeakPolarHBondContact OG1-CA 3.49Å; G460-P483 WeakPolarHBondContact O-CB 3.35Å; K464-P483 HydrophobicContact CB-CB 4.21Å; K464-P483 HydrophobicContact CD-CG 3.98Å
484	L	92.7	Very high	90	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.4	166.8	-57.2	178.9	0	0	0	109.4	T458 G460 G486 E504 I508 I547 V551	T458-L484 PolarHBondContact O-N 3.43Å; G460-L484 VanDerWaalsContact CA-O 3.26Å; G460-L484 WeakPolarHBondContact CA-O 3.19Å; G460-L484 PolarHBondContact N-O 3.23Å; L484-G486 VanDerWaalsContact C-N 3.25Å; L484-G486 PolarHBondContact O-N 2.89Å; L484-E504 VanDerWaalsContact C-OE1 3.25Å; L484-E504 WeakPolarHBondContact CA-OE1 3.39Å; L484-E504 WeakPolarHBondContact CB-OE1 3.47Å; L484-E504 HydrophobicContact CD2-CG 4.4Å; L484-I508 HydrophobicContact CD2-CD1 3.71Å; L484-I547 HydrophobicContact CD1-CG2 3.75Å; L484-V551 HydrophobicContact CD1-CG2 4.24Å
485	K	84.3	Confident	89.3	Confident	157 Å²	157	47.5 Å²	47.5	68%	0.683	24%	0.235	S	C	*	.			trans	-68.1	-22.5	174.4	-70.7	-178.7	-179.5	172.8	0	112.2	E503 E504	K485-E503 IonicContact NZ-OE2 3.74Å; K485-E503 PolarHBondContact NZ-OE2 3.29Å; K485-E504 PolarHBondContact N-OE1 3.41Å
486	G	82.4	Confident	88.2	Confident	29 Å²	29	50.8 Å²	50.8	30%	0.299	24%	0.242	S	C	.	.	S	Bend	trans	171.1	-148.1	177.9	0	0	0	0	0	113.2	L484 M488	L484-G486 VanDerWaalsContact C-N 3.25Å; L484-G486 PolarHBondContact O-N 2.89Å; G486-M488 PolarHBondContact O-N 3.41Å
487	K	85.5	Confident	87.2	Confident	112 Å²	112	47.3 Å²	47.3	49%	0.487	24%	0.242	S	C	.	.	S	Bend	trans	-63.8	120	177.2	-66.2	-175.9	179	-175.5	0	110.3	D543 L550	K487-D543 VanDerWaalsContact CE-OD1 3.23Å; K487-D543 WeakPolarHBondContact CE-OD1 3.35Å; K487-D543 IonicContact NZ-OD1 3.61Å; K487-D543 PolarHBondContact NZ-OD1 3.37Å; K487-L550 HydrophobicContact CB-CD1 4.44Å
488	M	87.8	Confident	86.5	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.034	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66	148.4	179.5	-163.2	178.3	-172.5	0	0	111.3	G486 N490 I505 I508 L550 V551 F554	G486-M488 PolarHBondContact O-N 3.41Å; M488-N490 PolarHBondContact O-N 2.84Å; M488-I505 HydrophobicContact CE-CG1 3.75Å; M488-I508 HydrophobicContact CE-CD1 3.62Å; M488-I508 HydrophobicContact SD-CD1 4.47Å; M488-L550 HydrophobicContact CB-CB 4.07Å; M488-L550 HydrophobicContact CB-CD1 4.41Å; M488-L550 VanDerWaalsContact O-CD1 3.31Å; M488-L550 WeakPolarHBondContact O-CD1 3.33Å; M488-V551 HydrophobicContact SD-CG2 3.95Å; M488-F554 HydrophobicContact CE-CB 3.98Å; M488-F554 HydrophobicContact CE-CD1 3.61Å; M488-F554 HydrophobicContact CE-CD2 4.12Å; M488-F554 HydrophobicContact CE-CE1 4.08Å; M488-F554 HydrophobicContact CE-CG 3.61Å; M488-F554 HydrophobicContact SD-CB 4.23Å; M488-F554 HydrophobicContact SD-CG 4.48Å
489	L	90.5	Very high	85.8	Confident	52 Å²	52	43.9 Å²	43.9	27%	0.272	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-66.9	130.7	177.1	178	69	0	0	0	110.6	V491 A494 Q498 I499 N502 I505	L489-V491 PolarHBondContact O-N 2.88Å; L489-A494 HydrophobicContact CD1-CB 4.18Å; L489-A494 HydrophobicContact CD2-CB 3.66Å; L489-A494 HydrophobicContact CG-CB 3.89Å; L489-Q498 HydrophobicContact CD2-CB 4.21Å; L489-I499 HydrophobicContact CD2-CG1 4.35Å; L489-N502 HydrophobicContact CD2-CB 4.48Å; L489-I505 HydrophobicContact CB-CD1 4.09Å; L489-I505 HydrophobicContact CD2-CD1 4.27Å
490	N	91	Very high	84.7	Confident	42 Å²	42	42.9 Å²	42.9	23%	0.225	23%	0.226	C	C	.	.			trans	-68.6	98.1	170.9	-179.1	0.1	0	0	0	110.4	M488 R492 E493 A494 L550 N553 F651	M488-N490 PolarHBondContact O-N 2.84Å; N490-R492 VanDerWaalsContact C-N 3.3Å; N490-R492 PolarHBondContact O-N 3.13Å; N490-R492 PolarHBondContact OD1-N 2.73Å; N490-E493 PolarHBondContact O-N 2.99Å; N490-A494 PolarHBondContact O-N 3.39Å; N490-L550 HydrophobicContact CB-CD2 4.04Å; N490-N553 PolarHBondContact OD1-ND2 3.2Å; N490-F651 PolarHBondContact ND2-O 3.25Å
491	V	88.2	Confident	84	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-66.9	-22.9	-172.5	-63.5	0	0	0	0	115.1	L489 E493 I499 I505 F554 H557	L489-V491 PolarHBondContact O-N 2.88Å; V491-E493 PolarHBondContact O-N 3.38Å; V491-I499 HydrophobicContact CB-CD1 4.07Å; V491-I499 HydrophobicContact CB-CG1 4.5Å; V491-I499 HydrophobicContact CG1-CD1 4.4Å; V491-I499 HydrophobicContact CG1-CG1 4.38Å; V491-I505 HydrophobicContact CG1-CD1 3.52Å; V491-F554 HydrophobicContact CB-CD2 4.47Å; V491-F554 HydrophobicContact CG1-CD2 3.75Å; V491-F554 HydrophobicContact CG1-CE2 4.46Å; V491-F554 HydrophobicContact CG2-CB 4.28Å; V491-F554 HydrophobicContact CG2-CD2 4.08Å; V491-H557 HydrophobicContact CG2-CB 4.17Å
492	R	87.1	Confident	83.5	Confident	41 Å²	41	53.3 Å²	53.3	16%	0.155	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-63	-30.1	179	-75.6	177.9	171.9	-112.6	14.8	113.2	N490 N553 H556 H557 D648	N490-R492 VanDerWaalsContact C-N 3.3Å; N490-R492 PolarHBondContact O-N 3.13Å; N490-R492 PolarHBondContact OD1-N 2.73Å; R492-N553 WeakPolarHBondContact CD-OD1 3.3Å; R492-N553 PolarHBondContact NE-OD1 2.78Å; R492-H556 PolarHBondContact NH2-CE1 3.16Å; R492-H556 PolarHBondContact NH2-ND1 3.37Å; R492-H557 HydrophobicContact CG-CB 3.68Å; R492-H557 VanDerWaalsContact CG-CG 3.44Å; R492-D648 IonicContact CZ-OD1 2.66Å; R492-D648 IonicContact NH1-OD1 3.57Å; R492-D648 PolarHBondContact NH1-OD1 2.74Å; R492-D648 IonicContact NH1-OD2 3.81Å; R492-D648 IonicContact NH2-OD1 2.79Å; R492-D648 PolarHBondContact NH2-OD1 3.17Å
493	E	81.4	Confident	83.1	Confident	59 Å²	59	58.6 Å²	58.6	28%	0.276	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-117.7	2.5	-168.8	-55.3	-63.1	161.1	0	0	111.7	N490 V491 S652 K653	N490-E493 PolarHBondContact O-N 2.99Å; V491-E493 PolarHBondContact O-N 3.38Å; E493-S652 WeakPolarHBondContact OE1-CA 3.27Å; E493-S652 PolarHBondContact OE1-OG 3.24Å; E493-K653 HydrophobicContact CB-CD 4.08Å; E493-K653 HydrophobicContact CB-CG 4.42Å; E493-K653 HydrophobicContact CG-CB 4.34Å; E493-K653 HydrophobicContact CG-CD 4.03Å; E493-K653 HydrophobicContact CG-CG 3.85Å; E493-K653 PolarHBondContact OE1-N 2.9Å; E493-K653 WeakPolarHBondContact OE2-CB 3.21Å; E493-K653 WeakPolarHBondContact OE2-CD 3.39Å
494	A	78	Confident	82.8	Confident	14 Å²	14	59.3 Å²	59.3	12%	0.116	30%	0.301	C	S	.	.	S	Bend	trans	-93.9	139.2	177.3	0	0	0	0	0	109.8	L489 N490 Q498 I499	L489-A494 HydrophobicContact CD1-CB 4.18Å; L489-A494 HydrophobicContact CD2-CB 3.66Å; L489-A494 HydrophobicContact CG-CB 3.89Å; N490-A494 PolarHBondContact O-N 3.39Å; A494-Q498 HydrophobicContact CB-CB 4.21Å; A494-I499 HydrophobicContact CB-CD1 4.24Å; A494-I499 HydrophobicContact CB-CG1 3.76Å
495	T	75.1	Confident	82.7	Confident	83 Å²	83	59.2 Å²	59.2	51%	0.509	30%	0.3	S	S	.	.			trans	-65.2	150.6	171.7	63.7	0	0	0	0	109.4	A497 Q498 I499	T495-A497 PolarHBondContact O-N 3.03Å; T495-A497 VanDerWaalsContact O-N 3.08Å; T495-Q498 VanDerWaalsContact N-OE1 3.15Å; T495-Q498 WeakPolarHBondContact O-CA 3.49Å; T495-Q498 WeakPolarHBondContact O-CB 3.42Å; T495-Q498 PolarHBondContact O-N 2.67Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.39Å; T495-Q498 PolarHBondContact OG1-N 3.39Å; T495-I499 PolarHBondContact O-N 2.92Å
496	H	68.7	Low	82.8	Confident	99 Å²	99	52 Å²	52	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-53	-33.4	175.6	-90.6	15.3	0	0	0	112.8	F417 I499 C500	F417-H496 HydrophobicContact CD2-CB 4.19Å; F417-H496 AromaticContact CE1-CD2 3.69Å; F417-H496 HydrophobicContact CE2-CB 3.68Å; F417-H496 AromaticContact CE2-CD2 3.4Å; F417-H496 WeakPolarHBondContact CE2-CD2 3.39Å; F417-H496 AromaticContact CE2-CG 3.74Å; F417-H496 HydrophobicContact CZ-CB 4.2Å; F417-H496 AromaticContact CZ-CD2 2.97Å; F417-H496 WeakPolarHBondContact CZ-CD2 3.36Å; F417-H496 AromaticContact CZ-CG 3.79Å; F417-H496 AromaticContact CZ-NE2 3.58Å; H496-I499 PolarHBondContact O-N 3.15Å; H496-C500 PolarHBondContact O-N 3.36Å; H496-C500 PolarHBondContact O-SG 3.28Å
497	A	71.8	Confident	83.2	Confident	62 Å²	62	51.8 Å²	51.8	51%	0.512	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-39.9	173.9	0	0	0	0	0	113.1	T495 K501	T495-A497 PolarHBondContact O-N 3.03Å; T495-A497 VanDerWaalsContact O-N 3.08Å; A497-K501 WeakPolarHBondContact O-CB 3.34Å; A497-K501 WeakPolarHBondContact O-CG 3.37Å; A497-K501 PolarHBondContact O-N 2.83Å; A497-K501 VanDerWaalsContact O-N 3.13Å
498	Q	78.3	Confident	83.6	Confident	102 Å²	102	46.5 Å²	46.5	48%	0.477	24%	0.239	S	C	.	.	H	α-helix	trans	-67	-40.9	174.9	-75.2	174.2	-35	0	0	111.6	L489 A494 T495 K501 N502	L489-Q498 HydrophobicContact CD2-CB 4.21Å; A494-Q498 HydrophobicContact CB-CB 4.21Å; T495-Q498 VanDerWaalsContact N-OE1 3.15Å; T495-Q498 WeakPolarHBondContact O-CA 3.49Å; T495-Q498 WeakPolarHBondContact O-CB 3.42Å; T495-Q498 PolarHBondContact O-N 2.67Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.39Å; T495-Q498 PolarHBondContact OG1-N 3.39Å; Q498-K501 PolarHBondContact O-N 3.11Å; Q498-N502 PolarHBondContact O-N 2.89Å; Q498-N502 VanDerWaalsContact O-N 3.16Å
499	I	80.5	Confident	83.7	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-48.5	179	-61.4	172.3	0	0	0	110.8	L489 V491 A494 T495 H496 K501 N502 I505 Y516	L489-I499 HydrophobicContact CD2-CG1 4.35Å; V491-I499 HydrophobicContact CB-CD1 4.07Å; V491-I499 HydrophobicContact CB-CG1 4.5Å; V491-I499 HydrophobicContact CG1-CD1 4.4Å; V491-I499 HydrophobicContact CG1-CG1 4.38Å; A494-I499 HydrophobicContact CB-CD1 4.24Å; A494-I499 HydrophobicContact CB-CG1 3.76Å; T495-I499 PolarHBondContact O-N 2.92Å; H496-I499 PolarHBondContact O-N 3.15Å; I499-K501 VanDerWaalsContact C-N 3.34Å; I499-K501 PolarHBondContact O-N 2.8Å; I499-N502 WeakPolarHBondContact O-CB 2.97Å; I499-N502 PolarHBondContact O-N 3.19Å; I499-N502 VanDerWaalsContact O-N 3.13Å; I499-I505 HydrophobicContact CG2-CD1 4.18Å; I499-I505 HydrophobicContact CG2-CG2 4.02Å; I499-Y516 VanDerWaalsContact CG2-OH 3.26Å; I499-Y516 WeakPolarHBondContact CG2-OH 3.47Å
500	C	71.9	Confident	83.5	Confident	16 Å²	16	47 Å²	47	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-28.8	-179.9	-69.5	0	0	0	0	113.8	F417 H496 N502	F417-C500 VanDerWaalsContact CE2-SG 3.54Å; H496-C500 PolarHBondContact O-N 3.36Å; H496-C500 PolarHBondContact O-SG 3.28Å; C500-N502 VanDerWaalsContact C-N 3.26Å
501	K	81.2	Confident	83.6	Confident	182 Å²	182	45 Å²	45	79%	0.791	23%	0.228	S	C	*	.	H	α-helix	trans	-75.7	-16.8	173.2	-79.2	-175.3	177.9	-175.9	0	112.7	A497 Q498 I499 E503	A497-K501 WeakPolarHBondContact O-CB 3.34Å; A497-K501 WeakPolarHBondContact O-CG 3.37Å; A497-K501 PolarHBondContact O-N 2.83Å; A497-K501 VanDerWaalsContact O-N 3.13Å; Q498-K501 PolarHBondContact O-N 3.11Å; I499-K501 VanDerWaalsContact C-N 3.34Å; I499-K501 PolarHBondContact O-N 2.8Å; K501-E503 PolarHBondContact O-N 2.9Å
502	N	86.9	Confident	83.9	Confident	36 Å²	36	45 Å²	45	19%	0.193	23%	0.228	C	C	.	.			trans	-77.7	105	177.9	-170.9	-52.9	0	0	0	109.7	L489 Q498 I499 C500 E504 I505 T506	L489-N502 HydrophobicContact CD2-CB 4.48Å; Q498-N502 PolarHBondContact O-N 2.89Å; Q498-N502 VanDerWaalsContact O-N 3.16Å; I499-N502 WeakPolarHBondContact O-CB 2.97Å; I499-N502 PolarHBondContact O-N 3.19Å; I499-N502 VanDerWaalsContact O-N 3.13Å; C500-N502 VanDerWaalsContact C-N 3.26Å; N502-E504 PolarHBondContact O-N 3.46Å; N502-E504 WeakPolarHBondContact OD1-CA 3.39Å; N502-E504 WeakPolarHBondContact OD1-CB 3.49Å; N502-E504 PolarHBondContact OD1-N 3Å; N502-I505 HydrophobicContact CB-CB 4.41Å; N502-I505 HydrophobicContact CB-CD1 4.18Å; N502-I505 HydrophobicContact CB-CG1 4.35Å; N502-I505 PolarHBondContact O-N 3.38Å; N502-I505 PolarHBondContact OD1-N 3.15Å; N502-I505 VanDerWaalsContact OD1-N 3.13Å; N502-T506 PolarHBondContact O-N 3.44Å; N502-T506 VanDerWaalsContact O-N 3.15Å; N502-T506 PolarHBondContact O-OG1 3.37Å
503	E	87.4	Confident	83.9	Confident	121 Å²	121	44 Å²	44	57%	0.565	23%	0.231	S	C	*	.	H	α-helix	trans	-55.6	-36	177.5	-82.2	-169.5	149.7	0	0	113	K485 K501 T506 N507	K485-E503 IonicContact NZ-OE2 3.74Å; K485-E503 PolarHBondContact NZ-OE2 3.29Å; K501-E503 PolarHBondContact O-N 2.9Å; E503-T506 WeakPolarHBondContact O-CB 3.42Å; E503-T506 PolarHBondContact O-N 3.29Å; E503-N507 WeakPolarHBondContact O-CB 3.22Å; E503-N507 PolarHBondContact O-N 3.5Å; E503-N507 PolarHBondContact O-ND2 2.73Å
504	E	89.1	Confident	84.3	Confident	21 Å²	21	41.3 Å²	41.3	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-51.4	-175	-129.5	174.5	163.4	0	0	111.1	L484 K485 N502 T506 N507 I508	L484-E504 VanDerWaalsContact C-OE1 3.25Å; L484-E504 WeakPolarHBondContact CA-OE1 3.39Å; L484-E504 WeakPolarHBondContact CB-OE1 3.47Å; L484-E504 HydrophobicContact CD2-CG 4.4Å; K485-E504 PolarHBondContact N-OE1 3.41Å; N502-E504 PolarHBondContact O-N 3.46Å; N502-E504 WeakPolarHBondContact OD1-CA 3.39Å; N502-E504 WeakPolarHBondContact OD1-CB 3.49Å; N502-E504 PolarHBondContact OD1-N 3Å; E504-T506 VanDerWaalsContact C-N 3.28Å; E504-T506 PolarHBondContact O-N 3.38Å; E504-N507 PolarHBondContact O-N 3.02Å; E504-I508 VanDerWaalsContact O-CG1 3.31Å; E504-I508 WeakPolarHBondContact O-CG1 3.46Å; E504-I508 PolarHBondContact O-N 2.91Å
505	I	90.1	Very high	84.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-44.3	174.9	-66.1	175.7	0	0	0	110.1	M488 L489 V491 I499 N502 N507 I508 L509 F554	M488-I505 HydrophobicContact CE-CG1 3.75Å; L489-I505 HydrophobicContact CB-CD1 4.09Å; L489-I505 HydrophobicContact CD2-CD1 4.27Å; V491-I505 HydrophobicContact CG1-CD1 3.52Å; I499-I505 HydrophobicContact CG2-CD1 4.18Å; I499-I505 HydrophobicContact CG2-CG2 4.02Å; N502-I505 HydrophobicContact CB-CB 4.41Å; N502-I505 HydrophobicContact CB-CD1 4.18Å; N502-I505 HydrophobicContact CB-CG1 4.35Å; N502-I505 PolarHBondContact O-N 3.38Å; N502-I505 PolarHBondContact OD1-N 3.15Å; N502-I505 VanDerWaalsContact OD1-N 3.13Å; I505-N507 VanDerWaalsContact C-N 3.31Å; I505-N507 PolarHBondContact O-N 3.49Å; I505-I508 PolarHBondContact O-N 3.2Å; I505-L509 HydrophobicContact CG2-CD1 4.04Å; I505-L509 HydrophobicContact CG2-CG 4.42Å; I505-L509 VanDerWaalsContact O-CG 3.29Å; I505-L509 WeakPolarHBondContact O-CG 3.41Å; I505-L509 PolarHBondContact O-N 3.04Å; I505-F554 HydrophobicContact CG2-CE2 3.75Å; I505-F554 HydrophobicContact CG2-CZ 4.07Å
506	T	86.4	Confident	84.6	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.043	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-42.1	179.8	-54.6	0	0	0	0	112.1	Q424 N502 E503 E504 K510	Q424-T506 HydrophobicContact CB-CG2 3.9Å; Q424-T506 HydrophobicContact CG-CG2 3.82Å; N502-T506 PolarHBondContact O-N 3.44Å; N502-T506 VanDerWaalsContact O-N 3.15Å; N502-T506 PolarHBondContact O-OG1 3.37Å; E503-T506 WeakPolarHBondContact O-CB 3.42Å; E503-T506 PolarHBondContact O-N 3.29Å; E504-T506 VanDerWaalsContact C-N 3.28Å; E504-T506 PolarHBondContact O-N 3.38Å; T506-K510 WeakPolarHBondContact O-CG 3.33Å; T506-K510 PolarHBondContact O-N 3.12Å
507	N	91	Very high	84.8	Confident	23 Å²	23	44.7 Å²	44.7	12%	0.123	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-45.4	178	-71.5	-24.8	0	0	0	111	I436 F482 E503 E504 I505 L509 K510 I511	I436-N507 HydrophobicContact CG2-CB 4.06Å; F482-N507 HydrophobicContact CE1-CB 4.37Å; F482-N507 HydrophobicContact CE2-CB 4.45Å; F482-N507 HydrophobicContact CZ-CB 3.83Å; E503-N507 WeakPolarHBondContact O-CB 3.22Å; E503-N507 PolarHBondContact O-N 3.5Å; E503-N507 PolarHBondContact O-ND2 2.73Å; E504-N507 PolarHBondContact O-N 3.02Å; I505-N507 VanDerWaalsContact C-N 3.31Å; I505-N507 PolarHBondContact O-N 3.49Å; N507-L509 VanDerWaalsContact C-N 3.31Å; N507-L509 PolarHBondContact O-N 3.1Å; N507-K510 WeakPolarHBondContact O-CB 3.44Å; N507-K510 PolarHBondContact O-N 3.41Å; N507-K510 VanDerWaalsContact O-N 3.11Å; N507-I511 HydrophobicContact CB-CD1 4.45Å; N507-I511 WeakPolarHBondContact O-CD1 3.45Å; N507-I511 WeakPolarHBondContact O-CG1 3.39Å; N507-I511 PolarHBondContact O-N 3.42Å
508	I	92.6	Very high	85.2	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-57.3	-45.1	177.7	-68.1	165	0	0	0	111.3	L457 F482 L484 M488 E504 I505 K510 I511 I512 F554	L457-I508 HydrophobicContact CD2-CG1 4.41Å; F482-I508 HydrophobicContact CD1-CG1 4.22Å; F482-I508 HydrophobicContact CE1-CG1 4.1Å; L484-I508 HydrophobicContact CD2-CD1 3.71Å; M488-I508 HydrophobicContact CE-CD1 3.62Å; M488-I508 HydrophobicContact SD-CD1 4.47Å; E504-I508 VanDerWaalsContact O-CG1 3.31Å; E504-I508 WeakPolarHBondContact O-CG1 3.46Å; E504-I508 PolarHBondContact O-N 2.91Å; I505-I508 PolarHBondContact O-N 3.2Å; I508-K510 VanDerWaalsContact C-N 3.34Å; I508-K510 PolarHBondContact O-N 3.34Å; I508-I511 PolarHBondContact O-N 2.88Å; I508-I512 HydrophobicContact CG2-CD1 3.58Å; I508-I512 HydrophobicContact CG2-CG1 4.4Å; I508-I512 WeakPolarHBondContact O-CG1 3.23Å; I508-I512 PolarHBondContact O-N 2.93Å; I508-F554 HydrophobicContact CG2-CE1 3.96Å
509	L	90.1	Very high	85.4	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-48.6	175	-75.5	166.4	0	0	0	112.2	I505 N507 G513 L514 Y516 F554 W559	I505-L509 HydrophobicContact CG2-CD1 4.04Å; I505-L509 HydrophobicContact CG2-CG 4.42Å; I505-L509 VanDerWaalsContact O-CG 3.29Å; I505-L509 WeakPolarHBondContact O-CG 3.41Å; I505-L509 PolarHBondContact O-N 3.04Å; N507-L509 VanDerWaalsContact C-N 3.31Å; N507-L509 PolarHBondContact O-N 3.1Å; L509-G513 CarbonylContact O-C 3.59Å; L509-G513 WeakPolarHBondContact O-CA 3.49Å; L509-G513 PolarHBondContact O-N 3.11Å; L509-L514 HydrophobicContact CD2-CB 3.66Å; L509-L514 PolarHBondContact O-N 2.99Å; L509-Y516 HydrophobicContact CD1-CD2 4.37Å; L509-Y516 HydrophobicContact CD1-CE2 3.38Å; L509-Y516 HydrophobicContact CD2-CD2 4.49Å; L509-Y516 HydrophobicContact CD2-CE2 4.02Å; L509-Y516 HydrophobicContact CG-CE2 4.36Å; L509-F554 HydrophobicContact CD2-CZ 4.19Å; L509-F554 HydrophobicContact CG-CZ 4.34Å; L509-W559 HydrophobicContact CD2-CH2 3.33Å; L509-W559 HydrophobicContact CD2-CZ2 3.73Å; L509-W559 HydrophobicContact CD2-CZ3 4.37Å
510	K	88	Confident	85.8	Confident	65 Å²	65	46.9 Å²	46.9	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-43.7	178.9	-74.3	170.7	-178.6	178.2	0	112.4	Q424 I436 T506 N507 I508 G513	Q424-K510 WeakPolarHBondContact O-CE 3.05Å; Q424-K510 WeakPolarHBondContact O-CG 3.38Å; I436-K510 HydrophobicContact CD1-CB 3.76Å; I436-K510 HydrophobicContact CD1-CD 4.25Å; T506-K510 WeakPolarHBondContact O-CG 3.33Å; T506-K510 PolarHBondContact O-N 3.12Å; N507-K510 WeakPolarHBondContact O-CB 3.44Å; N507-K510 PolarHBondContact O-N 3.41Å; N507-K510 VanDerWaalsContact O-N 3.11Å; I508-K510 VanDerWaalsContact C-N 3.34Å; I508-K510 PolarHBondContact O-N 3.34Å; K510-G513 PolarHBondContact O-N 3.03Å
511	I	92.5	Very high	86.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-50.5	-175.8	-62.9	159.9	0	0	0	110.2	L433 I436 L439 L455 F482 N507 I508 R530 Y531	L433-I511 HydrophobicContact CD1-CB 4.48Å; L433-I511 HydrophobicContact CD1-CG1 4.36Å; I436-I511 HydrophobicContact CD1-CD1 4.4Å; I436-I511 HydrophobicContact CD1-CG1 3.69Å; I436-I511 HydrophobicContact CG2-CD1 4.12Å; I436-I511 HydrophobicContact CG2-CG1 4.43Å; L439-I511 HydrophobicContact CD1-CD1 4.12Å; L439-I511 HydrophobicContact CD1-CG1 4.16Å; L439-I511 HydrophobicContact CD1-CG2 3.83Å; L439-I511 HydrophobicContact CD2-CG1 3.98Å; L439-I511 HydrophobicContact CD2-CG2 4.5Å; L455-I511 HydrophobicContact CD1-CG2 3.66Å; L455-I511 HydrophobicContact CD2-CB 4.29Å; L455-I511 HydrophobicContact CD2-CG2 3.54Å; L455-I511 HydrophobicContact CG-CG2 4.23Å; F482-I511 HydrophobicContact CB-CD1 4.02Å; F482-I511 HydrophobicContact CD1-CD1 3.89Å; F482-I511 HydrophobicContact CD2-CD1 3.58Å; F482-I511 HydrophobicContact CE1-CD1 4.24Å; F482-I511 HydrophobicContact CE2-CD1 3.97Å; F482-I511 HydrophobicContact CG-CD1 3.54Å; F482-I511 HydrophobicContact CZ-CD1 4.28Å; N507-I511 HydrophobicContact CB-CD1 4.45Å; N507-I511 WeakPolarHBondContact O-CD1 3.45Å; N507-I511 WeakPolarHBondContact O-CG1 3.39Å; N507-I511 PolarHBondContact O-N 3.42Å; I508-I511 PolarHBondContact O-N 2.88Å; I511-R530 WeakPolarHBondContact O-CB 3.41Å; I511-R530 PolarHBondContact O-NE 2.94Å; I511-Y531 HydrophobicContact CG2-CD2 4.24Å; I511-Y531 HydrophobicContact CG2-CE2 3.75Å; I511-Y531 WeakPolarHBondContact O-CD2 3.32Å
512	I	93.1	Very high	86.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-73.8	-30.2	-179.4	-57.8	171.5	0	0	0	111	L455 I508 L514 L529 R530 V534 F567	L455-I512 HydrophobicContact CD2-CD1 4.25Å; L455-I512 HydrophobicContact CD2-CG1 3.65Å; I508-I512 HydrophobicContact CG2-CD1 3.58Å; I508-I512 HydrophobicContact CG2-CG1 4.4Å; I508-I512 WeakPolarHBondContact O-CG1 3.23Å; I508-I512 PolarHBondContact O-N 2.93Å; I512-L514 HydrophobicContact CB-CD1 4.13Å; I512-L514 HydrophobicContact CB-CG 4.07Å; I512-L514 HydrophobicContact CD1-CD1 3.94Å; I512-L514 HydrophobicContact CG2-CD1 3.92Å; I512-L514 HydrophobicContact CG2-CD2 4.37Å; I512-L514 HydrophobicContact CG2-CG 3.68Å; I512-L529 HydrophobicContact CG2-CD2 4.41Å; I512-R530 PolarHBondContact O-N 3.25Å; I512-V534 HydrophobicContact CD1-CG2 3.64Å; I512-V534 HydrophobicContact CG1-CG2 4.17Å; I512-F567 HydrophobicContact CG2-CZ 3.86Å
513	G	88.3	Confident	86.5	Confident	21 Å²	21	47.9 Å²	47.9	22%	0.216	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	29.7	-172.7	0	0	0	0	0	112.9	L509 K510	L509-G513 CarbonylContact O-C 3.59Å; L509-G513 WeakPolarHBondContact O-CA 3.49Å; L509-G513 PolarHBondContact O-N 3.11Å; K510-G513 PolarHBondContact O-N 3.03Å
514	L	89.1	Confident	86.4	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	23%	0.231	C	C	.	.			trans	-76.4	147.7	178.1	-73.5	166.2	0	0	0	111.2	L509 I512 Y520 L529 I555 W559 L562	L509-L514 HydrophobicContact CD2-CB 3.66Å; L509-L514 PolarHBondContact O-N 2.99Å; I512-L514 HydrophobicContact CB-CD1 4.13Å; I512-L514 HydrophobicContact CB-CG 4.07Å; I512-L514 HydrophobicContact CD1-CD1 3.94Å; I512-L514 HydrophobicContact CG2-CD1 3.92Å; I512-L514 HydrophobicContact CG2-CD2 4.37Å; I512-L514 HydrophobicContact CG2-CG 3.68Å; L514-Y520 HydrophobicContact CD2-CD2 4.45Å; L514-Y520 HydrophobicContact CD2-CE2 3.95Å; L514-L529 HydrophobicContact CD2-CD2 3.8Å; L514-L529 HydrophobicContact CG-CD2 4.3Å; L514-I555 HydrophobicContact CD1-CD1 3.95Å; L514-W559 HydrophobicContact CB-CH2 4.05Å; L514-W559 HydrophobicContact CB-CZ2 3.85Å; L514-W559 HydrophobicContact CD1-CE3 3.98Å; L514-W559 HydrophobicContact CD1-CH2 4.1Å; L514-W559 HydrophobicContact CD1-CZ3 3.76Å; L514-W559 HydrophobicContact CD2-CD2 4.01Å; L514-W559 HydrophobicContact CD2-CE3 4.24Å; L514-W559 HydrophobicContact CD2-CG 4.42Å; L514-L562 HydrophobicContact CD2-CD1 3.61Å
515	Q	81.8	Confident	86.2	Confident	32 Å²	32	49.5 Å²	49.5	15%	0.15	24%	0.237	C	C	.	.			trans	-134	127	-178.8	-66.5	178.8	-18.9	0	0	108.6	C425 S426 R518 Y520 W559	C425-Q515 HydrophobicContact CB-CG 4.42Å; S426-Q515 PolarHBondContact O-NE2 3.31Å; Q515-R518 HydrophobicContact CB-CB 4.14Å; Q515-R518 PolarHBondContact O-N 3.42Å; Q515-Y520 PolarHBondContact N-OH 3.47Å; Q515-Y520 VanDerWaalsContact N-OH 3.14Å; Q515-W559 PolarHBondContact O-NE1 2.89Å
516	Y	78.4	Confident	86	Confident	47 Å²	47	51.6 Å²	51.6	18%	0.184	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	147.1	177.2	-71.3	-85.3	0	0	0	111.6	L421 I499 L509 R518 N558 W559	L421-Y516 HydrophobicContact CD2-CD2 3.09Å; L421-Y516 HydrophobicContact CD2-CE2 3.39Å; L421-Y516 HydrophobicContact CD2-CG 3.99Å; L421-Y516 HydrophobicContact CG-CD2 4.49Å; I499-Y516 VanDerWaalsContact CG2-OH 3.26Å; I499-Y516 WeakPolarHBondContact CG2-OH 3.47Å; L509-Y516 HydrophobicContact CD1-CD2 4.37Å; L509-Y516 HydrophobicContact CD1-CE2 3.38Å; L509-Y516 HydrophobicContact CD2-CD2 4.49Å; L509-Y516 HydrophobicContact CD2-CE2 4.02Å; L509-Y516 HydrophobicContact CG-CE2 4.36Å; Y516-R518 PolarHBondContact O-N 2.95Å; Y516-R518 VanDerWaalsContact O-N 3.07Å; Y516-N558 HydrophobicContact CE1-CB 4.49Å; Y516-N558 WeakPolarHBondContact CE1-OD1 3.11Å; Y516-W559 HydrophobicContact CD1-CH2 4.5Å; Y516-W559 HydrophobicContact CD1-CZ2 4.14Å; Y516-W559 HydrophobicContact CE1-CH2 4.26Å; Y516-W559 HydrophobicContact CE1-CZ2 4.34Å; Y516-W559 HydrophobicContact CG-CZ2 4.35Å
517	K	72.6	Confident	86	Confident	188 Å²	188	57.9 Å²	57.9	82%	0.817	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-4.6	-177.9	-53.6	-172.6	176.2	-169.3	0	116
518	R	80.4	Confident	85.9	Confident	84 Å²	84	58.2 Å²	58.2	32%	0.317	28%	0.275	S	S	.	.			trans	-79.3	132.2	170.3	-170.1	165.8	-176.6	-174	-3.8	109.2	Q515 Y516 Y520 S528 W559	Q515-R518 HydrophobicContact CB-CB 4.14Å; Q515-R518 PolarHBondContact O-N 3.42Å; Y516-R518 PolarHBondContact O-N 2.95Å; Y516-R518 VanDerWaalsContact O-N 3.07Å; R518-Y520 HydrophobicContact CB-CE2 4.03Å; R518-Y520 HydrophobicContact CG-CE1 4.41Å; R518-Y520 HydrophobicContact CG-CE2 4.2Å; R518-S528 PolarHBondContact NH1-OG 3.02Å; R518-S528 PolarHBondContact NH2-OG 3.3Å; R518-W559 VanDerWaalsContact O-CD1 3.27Å
519	K	82.7	Confident	85.9	Confident	133 Å²	133	58.2 Å²	58.2	58%	0.578	28%	0.275	S	S	*	.			trans	-86.9	142.4	169.3	-65.4	-176	171.9	-165.8	0	108.4	E521	K519-E521 HydrophobicContact CB-CG 4.36Å
520	Y	88.4	Confident	86	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.275	C	S	.	.			trans	-120	80.6	177.5	-65.8	-87.8	0	0	0	106.9	L514 Q515 R518 E525 L529 W559 S561 L562	L514-Y520 HydrophobicContact CD2-CD2 4.45Å; L514-Y520 HydrophobicContact CD2-CE2 3.95Å; Q515-Y520 PolarHBondContact N-OH 3.47Å; Q515-Y520 VanDerWaalsContact N-OH 3.14Å; R518-Y520 HydrophobicContact CB-CE2 4.03Å; R518-Y520 HydrophobicContact CG-CE1 4.41Å; R518-Y520 HydrophobicContact CG-CE2 4.2Å; Y520-E525 HydrophobicContact CD1-CB 4.11Å; Y520-E525 WeakPolarHBondContact CD1-O 3.14Å; Y520-L529 HydrophobicContact CD1-CD1 4.28Å; Y520-L529 HydrophobicContact CD1-CD2 4.03Å; Y520-L529 HydrophobicContact CD1-CG 4.09Å; Y520-L529 HydrophobicContact CE1-CD1 4.49Å; Y520-L529 HydrophobicContact CE1-CD2 3.42Å; Y520-L529 VanDerWaalsContact CE1-CD2 3.42Å; Y520-L529 HydrophobicContact CE1-CG 3.9Å; Y520-W559 AromaticContact CD2-CD1 3.71Å; Y520-W559 HydrophobicContact CD2-CG 4.28Å; Y520-W559 AromaticContact CE2-CD1 3.6Å; Y520-W559 HydrophobicContact CE2-CG 4.36Å; Y520-W559 AromaticContact CE2-NE1 3.77Å; Y520-S561 PolarHBondContact N-OG 3Å; Y520-S561 WeakPolarHBondContact O-CB 3.26Å; Y520-S561 PolarHBondContact O-OG 3.23Å; Y520-L562 HydrophobicContact CD2-CD1 4.33Å; Y520-L562 HydrophobicContact CD2-CG 4.43Å; Y520-L562 HydrophobicContact CG-CD2 4.14Å; Y520-L562 HydrophobicContact CG-CG 4.48Å
521	E	85.6	Confident	86.3	Confident	108 Å²	108	55.1 Å²	55.1	51%	0.505	26%	0.261	S	S	.	.			trans	-115.3	-31.6	-175.2	-70	173.8	-177.8	0	0	110.9	K519 E525	K519-E521 HydrophobicContact CB-CG 4.36Å; E521-E525 PolarHBondContact N-OE2 2.79Å
522	T	85.3	Confident	86.3	Confident	63 Å²	63	56 Å²	56	39%	0.387	27%	0.27	S	S	.	.	S	Bend	trans	-95.2	159.1	-179	62	0	0	0	0	112.8	E524 E525 L526	T522-E524 VanDerWaalsContact C-N 3.29Å; T522-E524 PolarHBondContact O-N 2.8Å; T522-E525 PolarHBondContact N-OE2 2.8Å; T522-E525 PolarHBondContact O-N 2.97Å; T522-E525 WeakPolarHBondContact OG1-CB 3.33Å; T522-E525 WeakPolarHBondContact OG1-CG 3.46Å; T522-E525 PolarHBondContact OG1-N 3.4Å; T522-E525 PolarHBondContact OG1-OE2 3.29Å; T522-L526 PolarHBondContact O-N 2.66Å
523	V	84.2	Confident	86.5	Confident	83 Å²	83	58.5 Å²	58.5	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-38.2	177.5	179.5	0	0	0	0	111.1	L526 R527	V523-L526 PolarHBondContact O-N 2.85Å; V523-R527 WeakPolarHBondContact O-CB 3.37Å; V523-R527 WeakPolarHBondContact O-CG 3.48Å; V523-R527 PolarHBondContact O-N 2.82Å
524	E	84.2	Confident	86.9	Confident	129 Å²	129	57.6 Å²	57.6	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-63.2	-40.4	176.3	-70.6	67.9	-145.7	0	0	112	T522 R527 S528	T522-E524 VanDerWaalsContact C-N 3.29Å; T522-E524 PolarHBondContact O-N 2.8Å; E524-R527 PolarHBondContact O-N 3.47Å; E524-S528 PolarHBondContact O-N 3.19Å
525	E	85.3	Confident	87.2	Confident	48 Å²	48	57.6 Å²	57.6	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-44.4	176.5	-73.9	166	158.6	0	0	111.5	Y520 E521 T522 R527 S528	Y520-E525 HydrophobicContact CD1-CB 4.11Å; Y520-E525 WeakPolarHBondContact CD1-O 3.14Å; E521-E525 PolarHBondContact N-OE2 2.79Å; T522-E525 PolarHBondContact N-OE2 2.8Å; T522-E525 PolarHBondContact O-N 2.97Å; T522-E525 WeakPolarHBondContact OG1-CB 3.33Å; T522-E525 WeakPolarHBondContact OG1-CG 3.46Å; T522-E525 PolarHBondContact OG1-N 3.4Å; T522-E525 PolarHBondContact OG1-OE2 3.29Å; E525-R527 VanDerWaalsContact C-N 3.29Å; E525-R527 PolarHBondContact O-N 2.91Å; E525-S528 VanDerWaalsContact O-CB 3.28Å; E525-S528 WeakPolarHBondContact O-CB 3.28Å; E525-S528 PolarHBondContact O-N 3.49Å; E525-S528 PolarHBondContact O-OG 3.25Å
526	L	86.5	Confident	87.9	Confident	44 Å²	44	56.1 Å²	56.1	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-39.1	174.8	-72.1	168.7	0	0	0	111.6	T522 V523 S528 L529 L562	T522-L526 PolarHBondContact O-N 2.66Å; V523-L526 PolarHBondContact O-N 2.85Å; L526-S528 PolarHBondContact O-N 3.47Å; L526-L529 HydrophobicContact CD2-CD1 4.28Å; L526-L529 WeakPolarHBondContact O-CB 3.49Å; L526-L529 PolarHBondContact O-N 3Å; L526-L529 VanDerWaalsContact O-N 3.11Å; L526-L562 HydrophobicContact CD2-CD2 3.66Å
527	R	86.8	Confident	88.6	Confident	139 Å²	139	53.9 Å²	53.9	53%	0.525	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-16.2	173.6	-79.3	179.9	-179.8	158.6	0.7	113.6	K429 V523 E524 E525 L529	K429-R527 WeakPolarHBondContact CE-O 3.46Å; K429-R527 PolarHBondContact NZ-O 3.02Å; V523-R527 WeakPolarHBondContact O-CB 3.37Å; V523-R527 WeakPolarHBondContact O-CG 3.48Å; V523-R527 PolarHBondContact O-N 2.82Å; E524-R527 PolarHBondContact O-N 3.47Å; E525-R527 VanDerWaalsContact C-N 3.29Å; E525-R527 PolarHBondContact O-N 2.91Å; R527-L529 VanDerWaalsContact C-N 3.31Å
528	S	87.7	Confident	89.5	Confident	30 Å²	30	45 Å²	45	21%	0.21	22%	0.217	C	C	.	.	H	α-helix	trans	-75.2	-21.4	174.6	79	0	0	0	0	113.1	K429 R518 E524 E525 L526	K429-S528 WeakPolarHBondContact CE-O 3.38Å; R518-S528 PolarHBondContact NH1-OG 3.02Å; R518-S528 PolarHBondContact NH2-OG 3.3Å; E524-S528 PolarHBondContact O-N 3.19Å; E525-S528 VanDerWaalsContact O-CB 3.28Å; E525-S528 WeakPolarHBondContact O-CB 3.28Å; E525-S528 PolarHBondContact O-N 3.49Å; E525-S528 PolarHBondContact O-OG 3.25Å; L526-S528 PolarHBondContact O-N 3.47Å
529	L	92	Very high	89.8	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.21	C	C	.	.	S	Bend	trans	-69.7	147.8	174.6	-58	175.5	0	0	0	111.3	K429 S450 I512 L514 Y520 L526 R527 Y531 L562 F567	K429-L529 WeakPolarHBondContact CE-O 3.47Å; K429-L529 PolarHBondContact NZ-O 2.88Å; S450-L529 VanDerWaalsContact CB-O 3.23Å; S450-L529 WeakPolarHBondContact CB-O 3.37Å; I512-L529 HydrophobicContact CG2-CD2 4.41Å; L514-L529 HydrophobicContact CD2-CD2 3.8Å; L514-L529 HydrophobicContact CG-CD2 4.3Å; Y520-L529 HydrophobicContact CD1-CD1 4.28Å; Y520-L529 HydrophobicContact CD1-CD2 4.03Å; Y520-L529 HydrophobicContact CD1-CG 4.09Å; Y520-L529 HydrophobicContact CE1-CD1 4.49Å; Y520-L529 HydrophobicContact CE1-CD2 3.42Å; Y520-L529 VanDerWaalsContact CE1-CD2 3.42Å; Y520-L529 HydrophobicContact CE1-CG 3.9Å; L526-L529 HydrophobicContact CD2-CD1 4.28Å; L526-L529 WeakPolarHBondContact O-CB 3.49Å; L526-L529 PolarHBondContact O-N 3Å; L526-L529 VanDerWaalsContact O-N 3.11Å; R527-L529 VanDerWaalsContact C-N 3.31Å; L529-Y531 VanDerWaalsContact C-N 3.34Å; L529-Y531 WeakPolarHBondContact CB-O 3.49Å; L529-L562 HydrophobicContact CD1-CD2 4.27Å; L529-F567 HydrophobicContact CD1-CE2 3.82Å; L529-F567 HydrophobicContact CD1-CZ 4.38Å
530	R	93.5	Very high	89.8	Confident	6 Å²	6	37.3 Å²	37.3	2%	0.023	19%	0.188	C	C	.	.	S	Bend	trans	-76.9	-24.8	175.6	-60.3	-131.2	-44.9	153.1	19.4	113.1	K429 H430 S431 L433 D441 G446 S450 I511 I512	K429-R530 HydrophobicContact CG-CG 4.27Å; H430-R530 WeakPolarHBondContact O-CD 3.13Å; H430-R530 PolarHBondContact O-NH1 2.7Å; S431-R530 PolarHBondContact O-NH1 3.24Å; L433-R530 VanDerWaalsContact CD1-NH2 3.34Å; D441-R530 IonicContact OD1-NH2 3.27Å; D441-R530 PolarHBondContact OD1-NH2 2.81Å; D441-R530 IonicContact OD2-CZ 3.86Å; D441-R530 IonicContact OD2-NH1 2.75Å; D441-R530 IonicContact OD2-NH2 3.38Å; D441-R530 PolarHBondContact OD2-NH2 3.11Å; G446-R530 PolarHBondContact N-O 3.48Å; S450-R530 WeakPolarHBondContact CB-O 3.49Å; S450-R530 PolarHBondContact OG-O 3.27Å; I511-R530 WeakPolarHBondContact O-CB 3.41Å; I511-R530 PolarHBondContact O-NE 2.94Å; I512-R530 PolarHBondContact O-N 3.25Å
531	Y	94.7	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.			trans	-127.3	130.1	174.2	-72.3	-90	0	0	0	109	D441 A442 A445 C453 T454 L455 I511 L529 K533	D441-Y531 PolarHBondContact OD1-OH 3.22Å; A442-Y531 HydrophobicContact CB-CE1 3.89Å; A442-Y531 PolarHBondContact N-OH 2.91Å; A445-Y531 HydrophobicContact CB-CD2 4.47Å; A445-Y531 HydrophobicContact CB-CE1 4.21Å; A445-Y531 HydrophobicContact CB-CE2 3.75Å; C453-Y531 HydrophobicContact CB-CD1 3.68Å; C453-Y531 HydrophobicContact CB-CE1 4.1Å; C453-Y531 HydrophobicContact CB-CG 4.45Å; T454-Y531 VanDerWaalsContact C-CD1 3.41Å; L455-Y531 HydrophobicContact CB-CD1 3.64Å; L455-Y531 HydrophobicContact CB-CD2 4.14Å; L455-Y531 HydrophobicContact CB-CE1 3.93Å; L455-Y531 HydrophobicContact CB-CE2 4.43Å; L455-Y531 HydrophobicContact CB-CG 3.74Å; L455-Y531 HydrophobicContact CD1-CE1 4.35Å; L455-Y531 HydrophobicContact CD1-CE2 4.27Å; L455-Y531 VanDerWaalsContact N-CD1 3.28Å; I511-Y531 HydrophobicContact CG2-CD2 4.24Å; I511-Y531 HydrophobicContact CG2-CE2 3.75Å; I511-Y531 WeakPolarHBondContact O-CD2 3.32Å; L529-Y531 VanDerWaalsContact C-N 3.34Å; L529-Y531 WeakPolarHBondContact CB-O 3.49Å; Y531-K533 VanDerWaalsContact C-N 3.31Å
532	G	92.6	Very high	89.6	Confident	18 Å²	18	38.1 Å²	38.1	19%	0.186	19%	0.193	C	C	.	.	S	Bend	trans	-78.7	-18.4	176.2	0	0	0	0	0	113.1	S450 C453 F567	S450-G532 PolarHBondContact O-N 2.92Å; C453-G532 PolarHBondContact O-N 2.88Å; G532-F567 WeakPolarHBondContact O-CD2 3.45Å
533	K	95.6	Very high	89.7	Confident	54 Å²	54	36.1 Å²	36.1	24%	0.235	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153	-179.2	-62.5	-178	173.7	-168.5	0	112.4	C453 T454 L455 Y531 F567 E569	C453-K533 PolarHBondContact O-N 3.36Å; T454-K533 WeakPolarHBondContact CA-O 3.43Å; T454-K533 HydrophobicContact CG2-CB 4.03Å; L455-K533 PolarHBondContact N-O 2.92Å; Y531-K533 VanDerWaalsContact C-N 3.31Å; K533-F567 CarbonylContact C-O 3.52Å; K533-F567 WeakPolarHBondContact CA-O 3.49Å; K533-E569 WeakPolarHBondContact CD-OE1 3.42Å; K533-E569 IonicContact NZ-OE1 3.7Å; K533-E569 PolarHBondContact NZ-OE1 3Å
534	V	96.8	Very high	89.9	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.4	171	176.1	0	0	0	0	108.3	L455 L457 I512 F567 L568 E569	L455-V534 CarbonylContact O-C 3.56Å; L455-V534 WeakPolarHBondContact O-CA 3.45Å; L457-V534 HydrophobicContact CD1-CG1 3.6Å; L457-V534 HydrophobicContact CG-CG1 3.92Å; I512-V534 HydrophobicContact CD1-CG2 3.64Å; I512-V534 HydrophobicContact CG1-CG2 4.17Å; V534-F567 HydrophobicContact CB-CE1 4.24Å; V534-F567 HydrophobicContact CG2-CE1 3.62Å; V534-F567 HydrophobicContact CG2-CE2 4.47Å; V534-F567 HydrophobicContact CG2-CZ 3.58Å; V534-F567 PolarHBondContact N-O 2.9Å; V534-L568 HydrophobicContact CB-CD2 4.09Å; V534-L568 HydrophobicContact CG1-CD2 4.19Å; V534-L568 CarbonylContact O-C 3.59Å; V534-L568 WeakPolarHBondContact O-CA 3.48Å; V534-E569 PolarHBondContact O-N 3.49Å
535	M	96.9	Very high	90.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125	176.3	-176.8	179.5	-68.2	0	0	109.1	T454 L455 I456 L457 E569 F571 R633	T454-M535 HydrophobicContact CG2-CB 3.71Å; T454-M535 HydrophobicContact CG2-CE 4.27Å; L455-M535 PolarHBondContact O-N 3.5Å; I456-M535 CarbonylContact C-O 3.24Å; I456-M535 VanDerWaalsContact CA-O 3.27Å; I456-M535 WeakPolarHBondContact CA-O 3.47Å; I456-M535 HydrophobicContact CG1-CB 4.38Å; I456-M535 HydrophobicContact CG1-SD 4.45Å; L457-M535 PolarHBondContact N-O 3.44Å; M535-E569 CarbonylContact C-O 3.3Å; M535-E569 VanDerWaalsContact CA-O 3.29Å; M535-E569 WeakPolarHBondContact CA-O 3.28Å; M535-E569 HydrophobicContact CB-CB 4.33Å; M535-E569 HydrophobicContact CE-CB 4.41Å; M535-E569 WeakPolarHBondContact CE-OE2 3.34Å; M535-E569 HydrophobicContact CG-CB 4.35Å; M535-F571 HydrophobicContact CG-CB 4.05Å; M535-F571 HydrophobicContact SD-CB 3.87Å; M535-F571 HydrophobicContact SD-CD2 3.85Å; M535-F571 HydrophobicContact SD-CG 4.34Å; M535-R633 HydrophobicContact CE-CB 4.45Å; M535-R633 HydrophobicContact CE-CG 3.87Å
536	I	96	Very high	90.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.9	178.5	-52.4	168.7	0	0	0	108.2	A538 K548 V551 I552 L568 E569 E570 F571	I536-A538 HydrophobicContact CG2-CB 4.46Å; I536-K548 HydrophobicContact CG2-CB 4.49Å; I536-K548 HydrophobicContact CG2-CG 3.83Å; I536-V551 HydrophobicContact CD1-CB 3.84Å; I536-V551 HydrophobicContact CD1-CG1 3.7Å; I536-V551 HydrophobicContact CG1-CB 4.46Å; I536-V551 HydrophobicContact CG1-CG1 4.04Å; I536-I552 HydrophobicContact CD1-CG1 4.3Å; I536-L568 HydrophobicContact CD1-CD2 4.38Å; I536-E569 PolarHBondContact N-O 2.87Å; I536-E570 WeakPolarHBondContact O-CA 3.38Å; I536-F571 PolarHBondContact O-N 3.4Å
537	M	93.8	Very high	91	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	85.9	177.9	-170.5	177.7	110.8	0	0	108.6	I456 L457 T458 E459 A463 L466 A467 F571 L614 F626	I456-M537 HydrophobicContact CG2-CB 3.69Å; I456-M537 HydrophobicContact CG2-SD 4.19Å; L457-M537 PolarHBondContact O-N 2.91Å; T458-M537 VanDerWaalsContact CA-O 3.3Å; T458-M537 WeakPolarHBondContact CA-O 3.46Å; T458-M537 HydrophobicContact CG2-CB 4.2Å; T458-M537 HydrophobicContact CG2-CE 3.98Å; E459-M537 PolarHBondContact N-O 3.05Å; A463-M537 HydrophobicContact CB-CE 4.14Å; A463-M537 WeakPolarHBondContact O-CE 3.5Å; L466-M537 HydrophobicContact CB-CE 3.99Å; L466-M537 HydrophobicContact CD2-CE 3.4Å; L466-M537 VanDerWaalsContact CD2-CE 3.4Å; L466-M537 HydrophobicContact CD2-SD 4.02Å; L466-M537 HydrophobicContact CG-CE 4.3Å; A467-M537 HydrophobicContact CB-CE 3.92Å; A467-M537 HydrophobicContact CB-SD 4.24Å; M537-F571 HydrophobicContact CB-CB 4.02Å; M537-F571 HydrophobicContact CG-CB 3.95Å; M537-F571 HydrophobicContact CG-CD1 3.85Å; M537-F571 HydrophobicContact CG-CG 4.14Å; M537-F571 HydrophobicContact SD-CB 4.5Å; M537-F571 HydrophobicContact SD-CD1 3.9Å; M537-F571 HydrophobicContact SD-CE1 4.3Å; M537-F571 HydrophobicContact SD-CG 4.18Å; M537-L614 HydrophobicContact CE-CD1 4.04Å; M537-L614 HydrophobicContact CG-CD1 3.85Å; M537-F626 HydrophobicContact SD-CZ 4.49Å
538	A	90.8	Very high	91.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	9%	0.092	C	C	.	.			trans	-105.9	164.5	179.4	0	0	0	0	0	110.4	E459 I536 K548 L614	E459-A538 HydrophobicContact CB-CB 4.34Å; I536-A538 HydrophobicContact CG2-CB 4.46Å; A538-K548 HydrophobicContact CB-CG 4.27Å; A538-L614 WeakPolarHBondContact O-CD1 3.27Å
539	D	86.3	Confident	91.8	Very high	34 Å²	34	15.9 Å²	15.9	18%	0.182	8%	0.082	C	C	.	.			trans	-60.6	144.8	174.6	-74.7	-11	0	0	0	109.7	E459 D541 L614	E459-D539 PolarHBondContact OE2-N 3.46Å; D539-D541 PolarHBondContact O-N 3.34Å; D539-L614 VanDerWaalsContact OD1-CB 3.27Å; D539-L614 WeakPolarHBondContact OD1-CB 3.32Å; D539-L614 VanDerWaalsContact OD1-CG 3.22Å; D539-L614 WeakPolarHBondContact OD1-CG 3.39Å; D539-L614 PolarHBondContact OD1-N 3.23Å
540	Q	83.4	Confident	91.9	Very high	22 Å²	22	16.1 Å²	16.1	10%	0.103	8%	0.084	C	C	.	.	S	Bend	trans	-83.4	43.4	-175.1	-150.8	65.8	11.2	0	0	111.2	I575	Q540-I575 HydrophobicContact CB-CG1 4.32Å; Q540-I575 HydrophobicContact CG-CD1 4.03Å; Q540-I575 HydrophobicContact CG-CG1 3.83Å
541	D	83.6	Confident	92	Very high	51 Å²	51	16 Å²	16	27%	0.273	8%	0.084	S	C	.	.	S	Bend	trans	-116.6	-176.3	174.9	79.2	0.7	0	0	0	110.5	D539 D543 G544 S545	D539-D541 PolarHBondContact O-N 3.34Å; D541-D543 PolarHBondContact OD1-N 2.93Å; D541-G544 PolarHBondContact OD1-N 2.96Å; D541-S545 PolarHBondContact O-N 3.15Å; D541-S545 VanDerWaalsContact O-N 3.15Å; D541-S545 PolarHBondContact O-OG 3.08Å
542	Q	85	Confident	92.1	Very high	75 Å²	75	16 Å²	16	35%	0.35	8%	0.084	S	C	.	.	H	α-helix	trans	-74.5	-31.5	-177.3	-66.8	151.2	-13.8	0	0	112	S545 H546 L703 F704 M707	Q542-S545 VanDerWaalsContact O-CB 3.3Å; Q542-S545 WeakPolarHBondContact O-CB 3.37Å; Q542-S545 PolarHBondContact O-N 3.3Å; Q542-H546 PolarHBondContact O-N 3.43Å; Q542-L703 HydrophobicContact CG-CB 4.49Å; Q542-F704 HydrophobicContact CB-CB 4.33Å; Q542-F704 WeakPolarHBondContact O-CB 3.34Å; Q542-F704 WeakPolarHBondContact O-CD2 3.13Å; Q542-M707 HydrophobicContact CB-CE 3.34Å; Q542-M707 HydrophobicContact CG-CE 4.36Å; Q542-M707 VanDerWaalsContact OE1-CB 3.31Å
543	D	87.4	Confident	92.2	Very high	20 Å²	20	15.1 Å²	15.1	11%	0.107	8%	0.075	C	C	.	.	H	α-helix	trans	-71.1	-37.7	177.6	-79.9	-73.3	0	0	0	111	K487 D541 S545 H546 I547 R711	K487-D543 VanDerWaalsContact CE-OD1 3.23Å; K487-D543 WeakPolarHBondContact CE-OD1 3.35Å; K487-D543 IonicContact NZ-OD1 3.61Å; K487-D543 PolarHBondContact NZ-OD1 3.37Å; D541-D543 PolarHBondContact OD1-N 2.93Å; D543-S545 VanDerWaalsContact C-N 3.31Å; D543-S545 PolarHBondContact O-N 3.19Å; D543-H546 WeakPolarHBondContact O-CB 3.29Å; D543-H546 PolarHBondContact O-N 2.78Å; D543-H546 VanDerWaalsContact O-N 3.1Å; D543-I547 PolarHBondContact O-N 3.39Å; D543-I547 VanDerWaalsContact O-N 3.08Å; D543-R711 IonicContact OD2-CZ 3.05Å; D543-R711 IonicContact OD2-NH1 3.23Å; D543-R711 PolarHBondContact OD2-NH1 2.8Å; D543-R711 IonicContact OD2-NH2 3.87Å
544	G	90	Very high	92.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-38.9	169.7	0	0	0	0	0	112.1	E459 D541 H546 I547 K548	E459-G544 WeakPolarHBondContact OE2-CA 3.42Å; D541-G544 PolarHBondContact OD1-N 2.96Å; G544-H546 VanDerWaalsContact C-N 3.28Å; G544-H546 PolarHBondContact O-N 3.24Å; G544-I547 PolarHBondContact O-N 2.82Å; G544-I547 VanDerWaalsContact O-N 3.12Å; G544-K548 WeakPolarHBondContact O-CG 3.19Å; G544-K548 PolarHBondContact O-N 3.11Å
545	S	91.8	Very high	92	Very high	7 Å²	7	12.7 Å²	12.7	5%	0.049	6%	0.064	C	C	.	.	H	α-helix	trans	-58.3	-38.6	172.1	-56	0	0	0	0	112.4	D541 Q542 D543 K548 G549 F696 E700	D541-S545 PolarHBondContact O-N 3.15Å; D541-S545 VanDerWaalsContact O-N 3.15Å; D541-S545 PolarHBondContact O-OG 3.08Å; Q542-S545 VanDerWaalsContact O-CB 3.3Å; Q542-S545 WeakPolarHBondContact O-CB 3.37Å; Q542-S545 PolarHBondContact O-N 3.3Å; D543-S545 VanDerWaalsContact C-N 3.31Å; D543-S545 PolarHBondContact O-N 3.19Å; S545-K548 PolarHBondContact O-N 3.06Å; S545-G549 PolarHBondContact O-N 3.44Å; S545-F696 WeakPolarHBondContact O-CZ 3.33Å; S545-E700 WeakPolarHBondContact OG-CG 3.4Å; S545-E700 PolarHBondContact OG-OE1 2.99Å
546	H	93.4	Very high	91.9	Very high	37 Å²	37	13.1 Å²	13.1	17%	0.171	7%	0.066	C	C	.	.	H	α-helix	trans	-67.7	-40.3	174.5	-176.7	-146.3	0	0	0	112.6	Q542 D543 G544 G549 L550 F704	Q542-H546 PolarHBondContact O-N 3.43Å; D543-H546 WeakPolarHBondContact O-CB 3.29Å; D543-H546 PolarHBondContact O-N 2.78Å; D543-H546 VanDerWaalsContact O-N 3.1Å; G544-H546 VanDerWaalsContact C-N 3.28Å; G544-H546 PolarHBondContact O-N 3.24Å; H546-G549 PolarHBondContact O-N 3.08Å; H546-L550 WeakPolarHBondContact O-CG 3.31Å; H546-L550 PolarHBondContact O-N 3.11Å; H546-F704 HydrophobicContact CB-CD1 3.66Å; H546-F704 HydrophobicContact CB-CD2 3.61Å; H546-F704 HydrophobicContact CB-CE1 3.64Å; H546-F704 HydrophobicContact CB-CE2 3.58Å; H546-F704 HydrophobicContact CB-CG 3.65Å; H546-F704 HydrophobicContact CB-CZ 3.61Å; H546-F704 AromaticContact CD2-CD1 3.96Å; H546-F704 AromaticContact CD2-CE1 3.44Å; H546-F704 VanDerWaalsContact CD2-CE1 3.44Å; H546-F704 WeakPolarHBondContact CD2-CE1 3.41Å; H546-F704 AromaticContact CD2-CZ 3.9Å; H546-F704 AromaticContact CE1-CE1 3.94Å; H546-F704 AromaticContact CE1-CZ 3.75Å; H546-F704 AromaticContact CG-CD1 3.82Å; H546-F704 AromaticContact CG-CE1 3.32Å; H546-F704 AromaticContact CG-CE2 3.84Å; H546-F704 AromaticContact CG-CZ 3.34Å; H546-F704 AromaticContact ND1-CE1 3.66Å; H546-F704 AromaticContact ND1-CE2 3.84Å; H546-F704 AromaticContact ND1-CZ 3.25Å; H546-F704 WeakPolarHBondContact ND1-CZ 3.35Å; H546-F704 AromaticContact NE2-CE1 3.86Å
547	I	93.5	Very high	91.7	Very high	3 Å²	3	17 Å²	17	2%	0.015	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-45.7	175.4	-67.2	178.2	0	0	0	110.4	E459 L484 D543 G544 G549 L550 V551	E459-I547 HydrophobicContact CB-CD1 4.21Å; E459-I547 HydrophobicContact CG-CD1 3.61Å; E459-I547 WeakPolarHBondContact OE1-CD1 3Å; L484-I547 HydrophobicContact CD1-CG2 3.75Å; D543-I547 PolarHBondContact O-N 3.39Å; D543-I547 VanDerWaalsContact O-N 3.08Å; G544-I547 PolarHBondContact O-N 2.82Å; G544-I547 VanDerWaalsContact O-N 3.12Å; I547-G549 VanDerWaalsContact C-N 3.28Å; I547-G549 PolarHBondContact O-N 3.5Å; I547-L550 PolarHBondContact O-N 3.4Å; I547-L550 VanDerWaalsContact O-N 3.17Å; I547-V551 WeakPolarHBondContact O-CG2 3.42Å; I547-V551 PolarHBondContact O-N 3.02Å
548	K	94.6	Very high	91.5	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-52.6	-50.6	173	-65.1	170.1	-160	177	0	110.3	I536 A538 G544 S545 L550 V551 I552 E570 F696 E700	I536-K548 HydrophobicContact CG2-CB 4.49Å; I536-K548 HydrophobicContact CG2-CG 3.83Å; A538-K548 HydrophobicContact CB-CG 4.27Å; G544-K548 WeakPolarHBondContact O-CG 3.19Å; G544-K548 PolarHBondContact O-N 3.11Å; S545-K548 PolarHBondContact O-N 3.06Å; K548-L550 PolarHBondContact O-N 2.62Å; K548-V551 PolarHBondContact O-N 2.97Å; K548-I552 WeakPolarHBondContact O-CD1 3.35Å; K548-I552 VanDerWaalsContact O-CG1 3.25Å; K548-I552 WeakPolarHBondContact O-CG1 3.14Å; K548-I552 PolarHBondContact O-N 3.21Å; K548-E570 HydrophobicContact CD-CG 4.47Å; K548-E570 VanDerWaalsContact CE-OE1 3.28Å; K548-E570 WeakPolarHBondContact CE-OE1 3.3Å; K548-E570 IonicContact NZ-OE1 2.77Å; K548-E570 PolarHBondContact NZ-OE1 3.2Å; K548-F696 HydrophobicContact CB-CE2 3.93Å; K548-F696 HydrophobicContact CB-CZ 3.75Å; K548-F696 HydrophobicContact CD-CE2 4.16Å; K548-E700 IonicContact NZ-OE1 3.56Å; K548-E700 PolarHBondContact NZ-OE1 3.24Å
549	G	95.1	Very high	91.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-43	178.1	0	0	0	0	0	113.8	S545 H546 I547 I552 N553 F651	S545-G549 PolarHBondContact O-N 3.44Å; H546-G549 PolarHBondContact O-N 3.08Å; I547-G549 VanDerWaalsContact C-N 3.28Å; I547-G549 PolarHBondContact O-N 3.5Å; G549-I552 PolarHBondContact O-N 3.42Å; G549-N553 WeakPolarHBondContact O-CB 3.25Å; G549-N553 PolarHBondContact O-N 2.99Å; G549-F651 WeakPolarHBondContact O-CE2 3.45Å; G549-F651 WeakPolarHBondContact O-CZ 3.48Å
550	L	95.2	Very high	91.8	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.037	10%	0.101	C	C	.	.	H	α-helix	trans	-67.5	-38.4	179.1	-72.2	164.1	0	0	0	112.8	K487 M488 N490 H546 I547 K548 N553 F554 F651	K487-L550 HydrophobicContact CB-CD1 4.44Å; M488-L550 HydrophobicContact CB-CB 4.07Å; M488-L550 HydrophobicContact CB-CD1 4.41Å; M488-L550 VanDerWaalsContact O-CD1 3.31Å; M488-L550 WeakPolarHBondContact O-CD1 3.33Å; N490-L550 HydrophobicContact CB-CD2 4.04Å; H546-L550 WeakPolarHBondContact O-CG 3.31Å; H546-L550 PolarHBondContact O-N 3.11Å; I547-L550 PolarHBondContact O-N 3.4Å; I547-L550 VanDerWaalsContact O-N 3.17Å; K548-L550 PolarHBondContact O-N 2.62Å; L550-N553 PolarHBondContact O-N 3.06Å; L550-F554 WeakPolarHBondContact O-CB 3.13Å; L550-F554 PolarHBondContact O-N 3.12Å; L550-F651 HydrophobicContact CD2-CD1 4.38Å; L550-F651 HydrophobicContact CD2-CE1 4.17Å; L550-F651 HydrophobicContact CG-CE1 4.43Å
551	V	95.4	Very high	92.1	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-66.8	-46.3	175	174.2	0	0	0	0	110.5	L457 L484 M488 I536 I547 K548 N553 F554 I555 L568	L457-V551 HydrophobicContact CD1-CG1 4.04Å; L484-V551 HydrophobicContact CD1-CG2 4.24Å; M488-V551 HydrophobicContact SD-CG2 3.95Å; I536-V551 HydrophobicContact CD1-CB 3.84Å; I536-V551 HydrophobicContact CD1-CG1 3.7Å; I536-V551 HydrophobicContact CG1-CB 4.46Å; I536-V551 HydrophobicContact CG1-CG1 4.04Å; I547-V551 WeakPolarHBondContact O-CG2 3.42Å; I547-V551 PolarHBondContact O-N 3.02Å; K548-V551 PolarHBondContact O-N 2.97Å; V551-N553 VanDerWaalsContact C-N 3.31Å; V551-N553 PolarHBondContact O-N 3Å; V551-F554 WeakPolarHBondContact O-CB 3.3Å; V551-F554 PolarHBondContact O-N 3.39Å; V551-I555 PolarHBondContact O-N 3.18Å; V551-I555 VanDerWaalsContact O-N 3.12Å; V551-L568 HydrophobicContact CG1-CD2 4.47Å
552	I	96	Very high	92.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.1	-48.3	175.2	-67.5	164.2	0	0	0	109.7	I536 K548 G549 F554 I555 H556 I563 L568 F636 L647 F693 F696	I536-I552 HydrophobicContact CD1-CG1 4.3Å; K548-I552 WeakPolarHBondContact O-CD1 3.35Å; K548-I552 VanDerWaalsContact O-CG1 3.25Å; K548-I552 WeakPolarHBondContact O-CG1 3.14Å; K548-I552 PolarHBondContact O-N 3.21Å; G549-I552 PolarHBondContact O-N 3.42Å; I552-F554 VanDerWaalsContact C-N 3.32Å; I552-F554 PolarHBondContact O-N 3.07Å; I552-I555 PolarHBondContact O-N 3.08Å; I552-H556 VanDerWaalsContact O-CB 3.28Å; I552-H556 WeakPolarHBondContact O-CB 3.43Å; I552-H556 PolarHBondContact O-N 3.15Å; I552-I563 HydrophobicContact CG2-CD1 4.24Å; I552-L568 HydrophobicContact CG1-CD1 4.22Å; I552-F636 HydrophobicContact CD1-CE1 3.98Å; I552-F636 HydrophobicContact CD1-CE2 4.22Å; I552-F636 HydrophobicContact CD1-CZ 3.8Å; I552-L647 HydrophobicContact CG2-CD1 3.95Å; I552-L647 HydrophobicContact CG2-CD2 3.62Å; I552-L647 HydrophobicContact CG2-CG 4.47Å; I552-F693 HydrophobicContact CD1-CD1 4.46Å; I552-F693 HydrophobicContact CG1-CE1 4.47Å; I552-F693 HydrophobicContact CG2-CD1 3.64Å; I552-F693 HydrophobicContact CG2-CE1 3.81Å; I552-F696 HydrophobicContact CD1-CD1 3.91Å; I552-F696 HydrophobicContact CD1-CE1 3.74Å; I552-F696 HydrophobicContact CD1-CG 4.45Å; I552-F696 HydrophobicContact CD1-CZ 4.13Å
553	N	95.5	Very high	92.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-39	177.6	178.5	52.9	0	0	0	113.2	N490 R492 G549 L550 V551 H556 H557 F651	N490-N553 PolarHBondContact OD1-ND2 3.2Å; R492-N553 WeakPolarHBondContact CD-OD1 3.3Å; R492-N553 PolarHBondContact NE-OD1 2.78Å; G549-N553 WeakPolarHBondContact O-CB 3.25Å; G549-N553 PolarHBondContact O-N 2.99Å; L550-N553 PolarHBondContact O-N 3.06Å; V551-N553 VanDerWaalsContact C-N 3.31Å; V551-N553 PolarHBondContact O-N 3Å; N553-H556 PolarHBondContact O-N 3.29Å; N553-H557 WeakPolarHBondContact O-CB 3.5Å; N553-H557 PolarHBondContact O-N 3.28Å; N553-F651 HydrophobicContact CB-CB 4.37Å; N553-F651 HydrophobicContact CB-CD1 4.07Å; N553-F651 HydrophobicContact CB-CD2 3.58Å; N553-F651 HydrophobicContact CB-CE1 4.31Å; N553-F651 HydrophobicContact CB-CE2 3.86Å; N553-F651 HydrophobicContact CB-CG 3.72Å; N553-F651 HydrophobicContact CB-CZ 4.23Å; N553-F651 VanDerWaalsContact OD1-CB 3.32Å; N553-F651 WeakPolarHBondContact OD1-CB 3.49Å
554	F	94.5	Very high	93.1	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-45.9	176.4	163.4	-113.8	0	0	0	112.1	M488 V491 I505 I508 L509 L550 V551 I552 N558 W559	M488-F554 HydrophobicContact CE-CB 3.98Å; M488-F554 HydrophobicContact CE-CD1 3.61Å; M488-F554 HydrophobicContact CE-CD2 4.12Å; M488-F554 HydrophobicContact CE-CE1 4.08Å; M488-F554 HydrophobicContact CE-CG 3.61Å; M488-F554 HydrophobicContact SD-CB 4.23Å; M488-F554 HydrophobicContact SD-CG 4.48Å; V491-F554 HydrophobicContact CB-CD2 4.47Å; V491-F554 HydrophobicContact CG1-CD2 3.75Å; V491-F554 HydrophobicContact CG1-CE2 4.46Å; V491-F554 HydrophobicContact CG2-CB 4.28Å; V491-F554 HydrophobicContact CG2-CD2 4.08Å; I505-F554 HydrophobicContact CG2-CE2 3.75Å; I505-F554 HydrophobicContact CG2-CZ 4.07Å; I508-F554 HydrophobicContact CG2-CE1 3.96Å; L509-F554 HydrophobicContact CD2-CZ 4.19Å; L509-F554 HydrophobicContact CG-CZ 4.34Å; L550-F554 WeakPolarHBondContact O-CB 3.13Å; L550-F554 PolarHBondContact O-N 3.12Å; V551-F554 WeakPolarHBondContact O-CB 3.3Å; V551-F554 PolarHBondContact O-N 3.39Å; I552-F554 VanDerWaalsContact C-N 3.32Å; I552-F554 PolarHBondContact O-N 3.07Å; F554-N558 WeakPolarHBondContact CD2-ND2 3.39Å; F554-N558 PolarHBondContact O-ND2 3.08Å; F554-W559 AromaticContact CE1-CZ3 3.95Å; F554-W559 HydrophobicContact CE1-CZ3 3.95Å; F554-W559 HydrophobicContact CE2-CH2 4.06Å; F554-W559 AromaticContact CE2-CZ3 3.86Å; F554-W559 HydrophobicContact CE2-CZ3 3.86Å; F554-W559 AromaticContact CZ-CH2 3.79Å; F554-W559 HydrophobicContact CZ-CH2 3.79Å; F554-W559 AromaticContact CZ-CZ3 3.54Å; F554-W559 HydrophobicContact CZ-CZ3 3.54Å
555	I	94.6	Very high	93	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-69.4	-42.4	176.6	-58.5	-59.7	0	0	0	110.4	L514 V551 I552 H557 N558 W559 L562 I563 F567 L568	L514-I555 HydrophobicContact CD1-CD1 3.95Å; V551-I555 PolarHBondContact O-N 3.18Å; V551-I555 VanDerWaalsContact O-N 3.12Å; I552-I555 PolarHBondContact O-N 3.08Å; I555-H557 PolarHBondContact O-N 2.86Å; I555-N558 PolarHBondContact O-N 3.27Å; I555-W559 HydrophobicContact CD1-CE3 4.17Å; I555-W559 HydrophobicContact CD1-CZ3 4.27Å; I555-W559 CarbonylContact O-C 3.59Å; I555-W559 WeakPolarHBondContact O-CA 3.43Å; I555-W559 PolarHBondContact O-N 3.44Å; I555-L562 HydrophobicContact CG2-CB 3.81Å; I555-L562 HydrophobicContact CG2-CD1 4.16Å; I555-I563 HydrophobicContact CB-CD1 4.25Å; I555-I563 HydrophobicContact CG2-CD1 4.18Å; I555-I563 HydrophobicContact CG2-CG1 3.97Å; I555-F567 HydrophobicContact CD1-CE1 4.42Å; I555-F567 HydrophobicContact CG2-CD1 4.49Å; I555-L568 HydrophobicContact CB-CD1 4.28Å; I555-L568 HydrophobicContact CG1-CD1 4.41Å; I555-L568 HydrophobicContact CG1-CD2 4.41Å; I555-L568 HydrophobicContact CG2-CD1 4.44Å
556	H	94.4	Very high	92.7	Very high	11 Å²	11	26.9 Å²	26.9	5%	0.051	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-46.7	-175.8	-173.4	-120.5	0	0	0	112.6	R492 I552 N553 P560 I563 D644 L647	R492-H556 PolarHBondContact NH2-CE1 3.16Å; R492-H556 PolarHBondContact NH2-ND1 3.37Å; I552-H556 VanDerWaalsContact O-CB 3.28Å; I552-H556 WeakPolarHBondContact O-CB 3.43Å; I552-H556 PolarHBondContact O-N 3.15Å; N553-H556 PolarHBondContact O-N 3.29Å; H556-P560 WeakPolarHBondContact O-CA 3.34Å; H556-P560 WeakPolarHBondContact O-CB 3.41Å; H556-P560 WeakPolarHBondContact O-CD 3.25Å; H556-I563 HydrophobicContact CB-CD1 3.37Å; H556-I563 HydrophobicContact CB-CG1 4.16Å; H556-D644 IonicContact CD2-OD1 3.56Å; H556-D644 IonicContact CE1-OD1 2.7Å; H556-D644 IonicContact NE2-OD1 2.97Å; H556-D644 PolarHBondContact NE2-OD1 3.45Å; H556-L647 HydrophobicContact CB-CD1 4.09Å
557	H	91.7	Very high	92.8	Very high	83 Å²	83	25.2 Å²	25.2	38%	0.384	12%	0.122	S	C	.	.	H	α-helix	trans	-68.7	-40.1	-176.4	-177.6	54.3	0	0	0	112.5	V491 R492 N553 I555	V491-H557 HydrophobicContact CG2-CB 4.17Å; R492-H557 HydrophobicContact CG-CB 3.68Å; R492-H557 VanDerWaalsContact CG-CG 3.44Å; N553-H557 WeakPolarHBondContact O-CB 3.5Å; N553-H557 PolarHBondContact O-N 3.28Å; I555-H557 PolarHBondContact O-N 2.86Å
558	N	89.4	Confident	92.9	Very high	31 Å²	31	25.2 Å²	25.2	17%	0.166	12%	0.122	C	C	.	.	H	α-helix	trans	-92.4	-34.2	-172.6	-66.5	-63.3	0	0	0	113.1	Y516 F554 I555	Y516-N558 HydrophobicContact CE1-CB 4.49Å; Y516-N558 WeakPolarHBondContact CE1-OD1 3.11Å; F554-N558 WeakPolarHBondContact CD2-ND2 3.39Å; F554-N558 PolarHBondContact O-ND2 3.08Å; I555-N558 PolarHBondContact O-N 3.27Å
559	W	92.7	Very high	92.9	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.011	12%	0.122	C	C	.	.			trans	-139.9	67.9	-177.8	-53.2	-78.2	0	0	0	111.3	L509 L514 Q515 Y516 R518 Y520 F554 I555 S561 L562	L509-W559 HydrophobicContact CD2-CH2 3.33Å; L509-W559 HydrophobicContact CD2-CZ2 3.73Å; L509-W559 HydrophobicContact CD2-CZ3 4.37Å; L514-W559 HydrophobicContact CB-CH2 4.05Å; L514-W559 HydrophobicContact CB-CZ2 3.85Å; L514-W559 HydrophobicContact CD1-CE3 3.98Å; L514-W559 HydrophobicContact CD1-CH2 4.1Å; L514-W559 HydrophobicContact CD1-CZ3 3.76Å; L514-W559 HydrophobicContact CD2-CD2 4.01Å; L514-W559 HydrophobicContact CD2-CE3 4.24Å; L514-W559 HydrophobicContact CD2-CG 4.42Å; Q515-W559 PolarHBondContact O-NE1 2.89Å; Y516-W559 HydrophobicContact CD1-CH2 4.5Å; Y516-W559 HydrophobicContact CD1-CZ2 4.14Å; Y516-W559 HydrophobicContact CE1-CH2 4.26Å; Y516-W559 HydrophobicContact CE1-CZ2 4.34Å; Y516-W559 HydrophobicContact CG-CZ2 4.35Å; R518-W559 VanDerWaalsContact O-CD1 3.27Å; Y520-W559 AromaticContact CD2-CD1 3.71Å; Y520-W559 HydrophobicContact CD2-CG 4.28Å; Y520-W559 AromaticContact CE2-CD1 3.6Å; Y520-W559 HydrophobicContact CE2-CG 4.36Å; Y520-W559 AromaticContact CE2-NE1 3.77Å; F554-W559 AromaticContact CE1-CZ3 3.95Å; F554-W559 HydrophobicContact CE1-CZ3 3.95Å; F554-W559 HydrophobicContact CE2-CH2 4.06Å; F554-W559 AromaticContact CE2-CZ3 3.86Å; F554-W559 HydrophobicContact CE2-CZ3 3.86Å; F554-W559 AromaticContact CZ-CH2 3.79Å; F554-W559 HydrophobicContact CZ-CH2 3.79Å; F554-W559 AromaticContact CZ-CZ3 3.54Å; F554-W559 HydrophobicContact CZ-CZ3 3.54Å; I555-W559 HydrophobicContact CD1-CE3 4.17Å; I555-W559 HydrophobicContact CD1-CZ3 4.27Å; I555-W559 CarbonylContact O-C 3.59Å; I555-W559 WeakPolarHBondContact O-CA 3.43Å; I555-W559 PolarHBondContact O-N 3.44Å; W559-S561 PolarHBondContact O-N 3.29Å; W559-L562 HydrophobicContact CB-CB 4.4Å; W559-L562 HydrophobicContact CB-CD1 3.68Å; W559-L562 HydrophobicContact CB-CG 3.97Å; W559-L562 HydrophobicContact CG-CD1 4.12Å; W559-L562 WeakPolarHBondContact O-CB 3.36Å; W559-L562 PolarHBondContact O-N 2.94Å
560	P	90.4	Very high	92.9	Very high	58 Å²	58	25.2 Å²	25.2	38%	0.377	12%	0.122	S	C	.	.	H	α-helix	trans	-57.2	-24.8	-178.6	19.8	-30.7	0	0	0	113.4	H556 L562 I563	H556-P560 WeakPolarHBondContact O-CA 3.34Å; H556-P560 WeakPolarHBondContact O-CB 3.41Å; H556-P560 WeakPolarHBondContact O-CD 3.25Å; P560-L562 VanDerWaalsContact C-N 3.28Å; P560-L562 PolarHBondContact O-N 2.91Å; P560-I563 PolarHBondContact O-N 2.88Å
561	S	91	Very high	92.8	Very high	13 Å²	13	24.9 Å²	24.9	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-29.8	175.3	68.2	0	0	0	0	113.7	Y520 W559 I563 R564	Y520-S561 PolarHBondContact N-OG 3Å; Y520-S561 WeakPolarHBondContact O-CB 3.26Å; Y520-S561 PolarHBondContact O-OG 3.23Å; W559-S561 PolarHBondContact O-N 3.29Å; S561-I563 VanDerWaalsContact C-N 3.33Å; S561-R564 PolarHBondContact O-N 3.44Å
562	L	92.9	Very high	92.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-71.4	-29.8	179.5	-71.7	176.6	0	0	0	112.5	L514 Y520 L526 L529 I555 W559 P560 R564 Q565 F567	L514-L562 HydrophobicContact CD2-CD1 3.61Å; Y520-L562 HydrophobicContact CD2-CD1 4.33Å; Y520-L562 HydrophobicContact CD2-CG 4.43Å; Y520-L562 HydrophobicContact CG-CD2 4.14Å; Y520-L562 HydrophobicContact CG-CG 4.48Å; L526-L562 HydrophobicContact CD2-CD2 3.66Å; L529-L562 HydrophobicContact CD1-CD2 4.27Å; I555-L562 HydrophobicContact CG2-CB 3.81Å; I555-L562 HydrophobicContact CG2-CD1 4.16Å; W559-L562 HydrophobicContact CB-CB 4.4Å; W559-L562 HydrophobicContact CB-CD1 3.68Å; W559-L562 HydrophobicContact CB-CG 3.97Å; W559-L562 HydrophobicContact CG-CD1 4.12Å; W559-L562 WeakPolarHBondContact O-CB 3.36Å; W559-L562 PolarHBondContact O-N 2.94Å; P560-L562 VanDerWaalsContact C-N 3.28Å; P560-L562 PolarHBondContact O-N 2.91Å; L562-R564 VanDerWaalsContact C-N 3.28Å; L562-R564 PolarHBondContact O-N 2.9Å; L562-Q565 PolarHBondContact O-N 2.9Å; L562-Q565 VanDerWaalsContact O-O 3.13Å; L562-F567 HydrophobicContact CB-CB 4.42Å; L562-F567 HydrophobicContact CB-CD1 4.18Å; L562-F567 HydrophobicContact CB-CG 4.33Å; L562-F567 HydrophobicContact CD1-CD1 4.3Å; L562-F567 HydrophobicContact CD1-CE1 4.18Å; L562-F567 HydrophobicContact CD1-CZ 4.5Å; L562-F567 HydrophobicContact CD2-CD2 4.26Å; L562-F567 HydrophobicContact CD2-CG 4.26Å; L562-F567 WeakPolarHBondContact O-CB 3.18Å
563	I	92.2	Very high	92.3	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-72.3	-29.6	-178.6	-55.7	-120.7	0	0	0	110.6	I552 I555 H556 P560 S561 Q565 L568 Y638 F693	I552-I563 HydrophobicContact CG2-CD1 4.24Å; I555-I563 HydrophobicContact CB-CD1 4.25Å; I555-I563 HydrophobicContact CG2-CD1 4.18Å; I555-I563 HydrophobicContact CG2-CG1 3.97Å; H556-I563 HydrophobicContact CB-CD1 3.37Å; H556-I563 HydrophobicContact CB-CG1 4.16Å; P560-I563 PolarHBondContact O-N 2.88Å; S561-I563 VanDerWaalsContact C-N 3.33Å; I563-Q565 PolarHBondContact O-N 3.21Å; I563-L568 HydrophobicContact CD1-CD1 4.14Å; I563-Y638 HydrophobicContact CG2-CD2 4.37Å; I563-F693 HydrophobicContact CB-CZ 4.45Å; I563-F693 HydrophobicContact CG2-CD1 4.38Å; I563-F693 HydrophobicContact CG2-CD2 3.82Å; I563-F693 HydrophobicContact CG2-CE1 3.91Å; I563-F693 HydrophobicContact CG2-CE2 3.29Å; I563-F693 HydrophobicContact CG2-CG 4.34Å; I563-F693 HydrophobicContact CG2-CZ 3.35Å
564	R	90.8	Very high	91.9	Very high	136 Å²	136	25.1 Å²	25.1	51%	0.513	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.8	174.2	-59.5	179.1	-179.3	171.6	-1.5	112.9	S561 L562 Y638	S561-R564 PolarHBondContact O-N 3.44Å; L562-R564 VanDerWaalsContact C-N 3.28Å; L562-R564 PolarHBondContact O-N 2.9Å; R564-Y638 HydrophobicContact CB-CD1 4.29Å; R564-Y638 HydrophobicContact CB-CG 4.47Å; R564-Y638 HydrophobicContact CG-CD1 3.91Å; R564-Y638 HydrophobicContact CG-CD2 4.35Å; R564-Y638 HydrophobicContact CG-CE1 3.9Å; R564-Y638 HydrophobicContact CG-CE2 4.33Å; R564-Y638 HydrophobicContact CG-CG 4.13Å
565	Q	87.3	Confident	91.6	Very high	89 Å²	89	26.8 Å²	26.8	42%	0.416	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	163.9	175.6	-60	-68	-16.3	0	0	109.7	L562 I563 F567	L562-Q565 PolarHBondContact O-N 2.9Å; L562-Q565 VanDerWaalsContact O-O 3.13Å; I563-Q565 PolarHBondContact O-N 3.21Å; Q565-F567 PolarHBondContact O-N 3.43Å
566	N	87.3	Confident	91.2	Very high	84 Å²	84	26.7 Å²	26.7	45%	0.449	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	50.5	173.3	-73.4	-22.4	0	0	0	112	F636	N566-F636 PolarHBondContact OD1-O 3.32Å
567	F	94	Very high	91	Very high	3 Å²	3	27 Å²	27	1%	0.013	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-34.2	-178.1	-176.2	-105.6	0	0	0	112.5	I512 L529 G532 K533 V534 I555 L562 Q565	I512-F567 HydrophobicContact CG2-CZ 3.86Å; L529-F567 HydrophobicContact CD1-CE2 3.82Å; L529-F567 HydrophobicContact CD1-CZ 4.38Å; G532-F567 WeakPolarHBondContact O-CD2 3.45Å; K533-F567 CarbonylContact C-O 3.52Å; K533-F567 WeakPolarHBondContact CA-O 3.49Å; V534-F567 HydrophobicContact CB-CE1 4.24Å; V534-F567 HydrophobicContact CG2-CE1 3.62Å; V534-F567 HydrophobicContact CG2-CE2 4.47Å; V534-F567 HydrophobicContact CG2-CZ 3.58Å; V534-F567 PolarHBondContact N-O 2.9Å; I555-F567 HydrophobicContact CD1-CE1 4.42Å; I555-F567 HydrophobicContact CG2-CD1 4.49Å; L562-F567 HydrophobicContact CB-CB 4.42Å; L562-F567 HydrophobicContact CB-CD1 4.18Å; L562-F567 HydrophobicContact CB-CG 4.33Å; L562-F567 HydrophobicContact CD1-CD1 4.3Å; L562-F567 HydrophobicContact CD1-CE1 4.18Å; L562-F567 HydrophobicContact CD1-CZ 4.5Å; L562-F567 HydrophobicContact CD2-CD2 4.26Å; L562-F567 HydrophobicContact CD2-CG 4.26Å; L562-F567 WeakPolarHBondContact O-CB 3.18Å; Q565-F567 PolarHBondContact O-N 3.43Å
568	L	96	Very high	91	Very high	3 Å²	3	23 Å²	23	2%	0.016	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.8	-179.6	-73.5	164.7	0	0	0	111.2	V534 I536 V551 I552 I555 I563 F636 F693	V534-L568 HydrophobicContact CB-CD2 4.09Å; V534-L568 HydrophobicContact CG1-CD2 4.19Å; V534-L568 CarbonylContact O-C 3.59Å; V534-L568 WeakPolarHBondContact O-CA 3.48Å; I536-L568 HydrophobicContact CD1-CD2 4.38Å; V551-L568 HydrophobicContact CG1-CD2 4.47Å; I552-L568 HydrophobicContact CG1-CD1 4.22Å; I555-L568 HydrophobicContact CB-CD1 4.28Å; I555-L568 HydrophobicContact CG1-CD1 4.41Å; I555-L568 HydrophobicContact CG1-CD2 4.41Å; I555-L568 HydrophobicContact CG2-CD1 4.44Å; I563-L568 HydrophobicContact CD1-CD1 4.14Å; L568-F636 HydrophobicContact CB-CD2 4Å; L568-F636 PolarHBondContact O-N 2.74Å; L568-F693 HydrophobicContact CD1-CE1 4.37Å
569	E	95.8	Very high	91.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	162.2	174.2	-62.1	-176.5	159.6	0	0	109.5	K533 V534 M535 I536 R633 I634 R635	K533-E569 WeakPolarHBondContact CD-OE1 3.42Å; K533-E569 IonicContact NZ-OE1 3.7Å; K533-E569 PolarHBondContact NZ-OE1 3Å; V534-E569 PolarHBondContact O-N 3.49Å; M535-E569 CarbonylContact C-O 3.3Å; M535-E569 VanDerWaalsContact CA-O 3.29Å; M535-E569 WeakPolarHBondContact CA-O 3.28Å; M535-E569 HydrophobicContact CB-CB 4.33Å; M535-E569 HydrophobicContact CE-CB 4.41Å; M535-E569 WeakPolarHBondContact CE-OE2 3.34Å; M535-E569 HydrophobicContact CG-CB 4.35Å; I536-E569 PolarHBondContact N-O 2.87Å; E569-R633 VanDerWaalsContact OE2-CD 3.27Å; E569-R633 WeakPolarHBondContact OE2-CD 3.36Å; E569-I634 CarbonylContact C-O 3.58Å; E569-I634 WeakPolarHBondContact CA-O 3.4Å; E569-R635 HydrophobicContact CG-CG 4.31Å; E569-R635 IonicContact OE1-NE 2.8Å
570	E	94.4	Very high	91	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.8	175.9	177.2	177.2	162.9	0	0	109.9	I536 K548 I572 R633 I634 F636 Y684	I536-E570 WeakPolarHBondContact O-CA 3.38Å; K548-E570 HydrophobicContact CD-CG 4.47Å; K548-E570 VanDerWaalsContact CE-OE1 3.28Å; K548-E570 WeakPolarHBondContact CE-OE1 3.3Å; K548-E570 IonicContact NZ-OE1 2.77Å; K548-E570 PolarHBondContact NZ-OE1 3.2Å; E570-I572 HydrophobicContact CG-CG2 4Å; E570-I572 VanDerWaalsContact OE1-CG2 3.25Å; E570-I572 WeakPolarHBondContact OE1-CG2 3.44Å; E570-R633 WeakPolarHBondContact O-CA 3.23Å; E570-I634 HydrophobicContact CB-CB 4.4Å; E570-I634 PolarHBondContact N-O 2.61Å; E570-I634 PolarHBondContact O-N 3.48Å; E570-F636 HydrophobicContact CB-CE2 3.91Å; E570-F636 HydrophobicContact CB-CZ 4.3Å; E570-F636 WeakPolarHBondContact OE2-CZ 3.35Å; E570-Y684 VanDerWaalsContact CD-OH 3.32Å; E570-Y684 PolarHBondContact OE1-OH 2.86Å; E570-Y684 VanDerWaalsContact OE1-OH 3.11Å; E570-Y684 PolarHBondContact OE2-OH 3.43Å
571	F	93.2	Very high	90.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111	170.1	-168.2	-83.9	0	0	0	109.7	M535 I536 M537 T573 F626 M629 H632	M535-F571 HydrophobicContact CG-CB 4.05Å; M535-F571 HydrophobicContact SD-CB 3.87Å; M535-F571 HydrophobicContact SD-CD2 3.85Å; M535-F571 HydrophobicContact SD-CG 4.34Å; I536-F571 PolarHBondContact O-N 3.4Å; M537-F571 HydrophobicContact CB-CB 4.02Å; M537-F571 HydrophobicContact CG-CB 3.95Å; M537-F571 HydrophobicContact CG-CD1 3.85Å; M537-F571 HydrophobicContact CG-CG 4.14Å; M537-F571 HydrophobicContact SD-CB 4.5Å; M537-F571 HydrophobicContact SD-CD1 3.9Å; M537-F571 HydrophobicContact SD-CE1 4.3Å; M537-F571 HydrophobicContact SD-CG 4.18Å; F571-T573 HydrophobicContact CD1-CG2 4.1Å; F571-T573 HydrophobicContact CE1-CG2 3.77Å; F571-F626 HydrophobicContact CE1-CE2 4.43Å; F571-F626 HydrophobicContact CE2-CD2 4.24Å; F571-F626 HydrophobicContact CE2-CE2 4Å; F571-F626 HydrophobicContact CE2-CZ 4.14Å; F571-F626 AromaticContact CZ-CD2 3.93Å; F571-F626 HydrophobicContact CZ-CD2 3.93Å; F571-F626 AromaticContact CZ-CE2 3.72Å; F571-F626 HydrophobicContact CZ-CE2 3.72Å; F571-F626 HydrophobicContact CZ-CZ 4.29Å; F571-M629 HydrophobicContact CD2-SD 4.07Å; F571-M629 HydrophobicContact CE2-CE 4.24Å; F571-M629 HydrophobicContact CE2-SD 3.68Å; F571-H632 WeakPolarHBondContact CA-O 3.36Å; F571-H632 HydrophobicContact CD2-CB 4.26Å; F571-H632 HydrophobicContact CE1-CB 4.37Å; F571-H632 HydrophobicContact CE2-CB 3.84Å; F571-H632 HydrophobicContact CZ-CB 3.92Å
572	I	90.9	Very high	90.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.			trans	-95.6	147.9	178	61.1	172.6	0	0	0	111.2	E570 F588 H632 I634 Y684	E570-I572 HydrophobicContact CG-CG2 4Å; E570-I572 VanDerWaalsContact OE1-CG2 3.25Å; E570-I572 WeakPolarHBondContact OE1-CG2 3.44Å; I572-F588 HydrophobicContact CB-CD1 4.34Å; I572-F588 HydrophobicContact CD1-CD1 3.65Å; I572-F588 HydrophobicContact CD1-CE1 4.03Å; I572-F588 HydrophobicContact CD1-CG 4.46Å; I572-F588 HydrophobicContact CG1-CD1 3.91Å; I572-F588 HydrophobicContact CG1-CE1 3.94Å; I572-H632 WeakPolarHBondContact CG1-O 3.4Å; I572-H632 PolarHBondContact N-O 2.95Å; I572-H632 PolarHBondContact O-CD2 3.38Å; I572-I634 HydrophobicContact CD1-CD1 3.88Å; I572-I634 HydrophobicContact CD1-CG1 3.71Å; I572-I634 HydrophobicContact CG1-CG1 3.98Å; I572-I634 HydrophobicContact CG2-CG1 4Å; I572-Y684 HydrophobicContact CD1-CD1 4.27Å; I572-Y684 HydrophobicContact CG2-CD1 4.39Å; I572-Y684 HydrophobicContact CG2-CE1 4.02Å; I572-Y684 HydrophobicContact CG2-CE2 4.47Å
573	T	89.3	Confident	90.6	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.037	22%	0.222	C	C	.	.			trans	-122.6	157.3	173.1	53.7	0	0	0	0	111.5	F571 F588 L614 Y625	F571-T573 HydrophobicContact CD1-CG2 4.1Å; F571-T573 HydrophobicContact CE1-CG2 3.77Å; T573-F588 WeakPolarHBondContact O-CD1 3.3Å; T573-L614 HydrophobicContact CG2-CD2 3.44Å; T573-L614 VanDerWaalsContact CG2-CD2 3.44Å; T573-Y625 HydrophobicContact CG2-CD2 4.06Å; T573-Y625 HydrophobicContact CG2-CE2 4.03Å
574	P	87.9	Confident	90.4	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.013	25%	0.249	C	C	.	.			trans	-60.8	139.3	174.8	-21.3	32.4	0	0	0	111.9	K577 A586 F587 F588 Y611 Y625	P574-K577 HydrophobicContact CB-CG 4.33Å; P574-A586 HydrophobicContact CB-CB 3.97Å; P574-A586 HydrophobicContact CG-CB 3.92Å; P574-F587 CarbonylContact C-O 3.49Å; P574-F587 WeakPolarHBondContact CA-O 3.33Å; P574-F588 HydrophobicContact CG-CE1 4.1Å; P574-F588 HydrophobicContact CG-CE2 4.11Å; P574-F588 HydrophobicContact CG-CZ 3.77Å; P574-Y611 VanDerWaalsContact O-CB 3.28Å; P574-Y611 WeakPolarHBondContact O-CB 3.47Å; P574-Y625 HydrophobicContact CG-CE1 4.01Å
575	I	86.6	Confident	90.4	Very high	35 Å²	35	45.3 Å²	45.3	18%	0.179	24%	0.239	C	C	.	.	S	Bend	trans	-91.3	-31.3	176.8	-51	-179.5	0	0	0	110.6	Q540 F587 F588 Y611	Q540-I575 HydrophobicContact CB-CG1 4.32Å; Q540-I575 HydrophobicContact CG-CD1 4.03Å; Q540-I575 HydrophobicContact CG-CG1 3.83Å; I575-F587 PolarHBondContact N-O 3.38Å; I575-F588 VanDerWaalsContact CD1-O 3.29Å; I575-F588 WeakPolarHBondContact CD1-O 3.32Å; I575-Y611 PolarHBondContact O-N 3.12Å
576	V	87.6	Confident	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.4	176.9	-172.9	0	0	0	0	109.4	V578 F587 L590 Y593 I608 Y610	V576-V578 HydrophobicContact CG1-CG1 4.29Å; V576-F587 HydrophobicContact CB-CB 4.34Å; V576-F587 HydrophobicContact CB-CD2 4.29Å; V576-F587 HydrophobicContact CG1-CD2 4.43Å; V576-F587 PolarHBondContact N-O 2.89Å; V576-F587 PolarHBondContact O-N 2.95Å; V576-L590 HydrophobicContact CG2-CD2 4.15Å; V576-Y593 HydrophobicContact CB-CD2 4.35Å; V576-Y593 HydrophobicContact CB-CG 4.28Å; V576-Y593 HydrophobicContact CG1-CD2 3.74Å; V576-Y593 HydrophobicContact CG1-CE2 3.96Å; V576-Y593 HydrophobicContact CG1-CG 4.07Å; V576-Y593 HydrophobicContact CG2-CD1 4.36Å; V576-Y593 HydrophobicContact CG2-CG 4.2Å; V576-I608 HydrophobicContact CG1-CG2 3.89Å; V576-Y610 HydrophobicContact CG1-CE1 4.44Å; V576-Y610 HydrophobicContact CG2-CD1 3.66Å; V576-Y610 HydrophobicContact CG2-CE1 3.79Å
577	K	89.7	Confident	90.5	Very high	18 Å²	18	39.5 Å²	39.5	8%	0.078	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.8	163.1	-68.5	-173.9	-178.1	172.4	0	110.1	P574 I584 K585 A586 K609 Y611 E621 Y625	P574-K577 HydrophobicContact CB-CG 4.33Å; K577-I584 HydrophobicContact CD-CG2 4.45Å; K577-K585 CarbonylContact C-O 3.59Å; K577-K585 VanDerWaalsContact CA-O 3.3Å; K577-K585 WeakPolarHBondContact CA-O 3.47Å; K577-A586 HydrophobicContact CG-CB 4.02Å; K577-K609 PolarHBondContact N-O 3.41Å; K577-K609 PolarHBondContact O-N 3.4Å; K577-Y611 HydrophobicContact CB-CE2 3.86Å; K577-Y611 HydrophobicContact CD-CE2 3.97Å; K577-Y611 HydrophobicContact CG-CD2 4.39Å; K577-Y611 HydrophobicContact CG-CE2 3.86Å; K577-E621 IonicContact NZ-OE1 3.37Å; K577-E621 PolarHBondContact NZ-OE1 2.92Å; K577-Y625 WeakPolarHBondContact CE-OH 3.47Å; K577-Y625 PolarHBondContact NZ-OH 2.66Å
578	V	91.3	Very high	90.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.3	171.5	-59.4	0	0	0	0	109.3	V576 I584 K585 F587 Y593 W596 W606 K607 I608	V576-V578 HydrophobicContact CG1-CG1 4.29Å; V578-I584 WeakPolarHBondContact O-CA 3.4Å; V578-K585 HydrophobicContact CG2-CB 3.7Å; V578-K585 PolarHBondContact N-O 3.45Å; V578-K585 PolarHBondContact O-N 3Å; V578-F587 HydrophobicContact CG1-CE2 4.11Å; V578-F587 HydrophobicContact CG2-CE2 3.68Å; V578-F587 HydrophobicContact CG2-CZ 4.35Å; V578-Y593 HydrophobicContact CG1-CD2 4.25Å; V578-Y593 HydrophobicContact CG1-CE2 3.88Å; V578-W596 HydrophobicContact CB-CH2 4.09Å; V578-W596 HydrophobicContact CB-CZ3 4.22Å; V578-W596 HydrophobicContact CG1-CE3 4.45Å; V578-W596 HydrophobicContact CG1-CH2 4.18Å; V578-W596 HydrophobicContact CG1-CZ3 3.8Å; V578-W596 HydrophobicContact CG2-CE3 4.45Å; V578-W596 HydrophobicContact CG2-CH2 3.77Å; V578-W596 HydrophobicContact CG2-CZ2 4.01Å; V578-W596 HydrophobicContact CG2-CZ3 4.01Å; V578-W606 HydrophobicContact CB-CE3 3.9Å; V578-W606 HydrophobicContact CG2-CE3 3.74Å; V578-W606 HydrophobicContact CG2-CZ3 4.04Å; V578-K607 WeakPolarHBondContact CA-O 3.14Å; V578-I608 HydrophobicContact CG1-CB 4.4Å; V578-I608 HydrophobicContact CG1-CG1 3.89Å; V578-I608 HydrophobicContact CG1-CG2 4.33Å
579	S	91.2	Very high	89.5	Confident	41 Å²	41	40.2 Å²	40.2	29%	0.287	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.4	-177.6	57.7	0	0	0	0	112	E583 K607	S579-E583 WeakPolarHBondContact CA-O 3.34Å; S579-K607 PolarHBondContact N-O 2.81Å; S579-K607 PolarHBondContact O-N 2.88Å; S579-K607 PolarHBondContact OG-O 3.33Å
580	K	90.6	Very high	88.8	Confident	84 Å²	84	44.5 Å²	44.5	37%	0.365	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	104.2	173	-174.2	168.3	-179.3	167.2	0	109.1	K582 E583 N602 S605 W606	K580-K582 PolarHBondContact O-N 2.76Å; K580-K582 VanDerWaalsContact O-N 3.1Å; K580-E583 PolarHBondContact N-O 2.9Å; K580-E583 PolarHBondContact O-N 2.86Å; K580-N602 PolarHBondContact NZ-ND2 2.83Å; K580-S605 PolarHBondContact NZ-OG 3.01Å; K580-W606 HydrophobicContact CB-CD2 3.62Å; K580-W606 HydrophobicContact CB-CE3 3.59Å; K580-W606 HydrophobicContact CB-CG 4.21Å; K580-W606 HydrophobicContact CB-CH2 4.05Å; K580-W606 HydrophobicContact CB-CZ2 4.1Å; K580-W606 HydrophobicContact CB-CZ3 3.81Å; K580-W606 HydrophobicContact CD-CD2 4.12Å; K580-W606 HydrophobicContact CD-CG 4.29Å; K580-W606 HydrophobicContact CD-CZ2 4.13Å
581	G	89.1	Confident	88.1	Confident	85 Å²	85	46.4 Å²	46.4	88%	0.876	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-112	-173.2	0	0	0	0	0	111.8
582	K	86.3	Confident	87.6	Confident	213 Å²	213	47.1 Å²	47.1	93%	0.926	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-14	177.6	-65.7	-175.5	-179	178.5	0	113.6	K580	K580-K582 PolarHBondContact O-N 2.76Å; K580-K582 VanDerWaalsContact O-N 3.1Å
583	E	90.3	Very high	87.3	Confident	103 Å²	103	47.1 Å²	47.1	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.2	-178.2	-146.5	-173.6	158.6	0	0	109.3	S579 K580 K585 W606	S579-E583 WeakPolarHBondContact CA-O 3.34Å; K580-E583 PolarHBondContact N-O 2.9Å; K580-E583 PolarHBondContact O-N 2.86Å; E583-K585 WeakPolarHBondContact OE1-CE 3.3Å; E583-K585 IonicContact OE1-NZ 3.95Å; E583-K585 PolarHBondContact OE1-NZ 3.39Å; E583-K585 VanDerWaalsContact OE1-NZ 3.16Å; E583-W606 HydrophobicContact CB-CH2 4.2Å; E583-W606 HydrophobicContact CB-CZ3 4.45Å; E583-W606 HydrophobicContact CG-CH2 4.3Å
584	I	89.3	Confident	87	Confident	112 Å²	112	50.9 Å²	50.9	57%	0.574	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.9	179	-57.2	175.3	0	0	0	107.7	K577 V578	K577-I584 HydrophobicContact CD-CG2 4.45Å; V578-I584 WeakPolarHBondContact O-CA 3.4Å
585	K	89.6	Confident	86.8	Confident	72 Å²	72	55.4 Å²	55.4	31%	0.313	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.4	172.9	-64	175	-178.7	166	0	109	K577 V578 E583 F587 W606	K577-K585 CarbonylContact C-O 3.59Å; K577-K585 VanDerWaalsContact CA-O 3.3Å; K577-K585 WeakPolarHBondContact CA-O 3.47Å; V578-K585 HydrophobicContact CG2-CB 3.7Å; V578-K585 PolarHBondContact N-O 3.45Å; V578-K585 PolarHBondContact O-N 3Å; E583-K585 WeakPolarHBondContact OE1-CE 3.3Å; E583-K585 IonicContact OE1-NZ 3.95Å; E583-K585 PolarHBondContact OE1-NZ 3.39Å; E583-K585 VanDerWaalsContact OE1-NZ 3.16Å; K585-F587 HydrophobicContact CB-CE2 4.23Å; K585-F587 HydrophobicContact CB-CZ 4.11Å; K585-W606 HydrophobicContact CD-CH2 4.38Å
586	A	89.2	Confident	86.9	Confident	41 Å²	41	55 Å²	55	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.5	-177.9	0	0	0	0	0	109.4	P574 K577	P574-A586 HydrophobicContact CB-CB 3.97Å; P574-A586 HydrophobicContact CG-CB 3.92Å; K577-A586 HydrophobicContact CG-CB 4.02Å
587	F	88.5	Confident	86.9	Confident	11 Å²	11	55.8 Å²	55.8	5%	0.048	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.8	-178.2	-57.3	-75.3	0	0	0	109.7	P574 I575 V576 V578 K585 E592 Y593 W596	P574-F587 CarbonylContact C-O 3.49Å; P574-F587 WeakPolarHBondContact CA-O 3.33Å; I575-F587 PolarHBondContact N-O 3.38Å; V576-F587 HydrophobicContact CB-CB 4.34Å; V576-F587 HydrophobicContact CB-CD2 4.29Å; V576-F587 HydrophobicContact CG1-CD2 4.43Å; V576-F587 PolarHBondContact N-O 2.89Å; V576-F587 PolarHBondContact O-N 2.95Å; V578-F587 HydrophobicContact CG1-CE2 4.11Å; V578-F587 HydrophobicContact CG2-CE2 3.68Å; V578-F587 HydrophobicContact CG2-CZ 4.35Å; K585-F587 HydrophobicContact CB-CE2 4.23Å; K585-F587 HydrophobicContact CB-CZ 4.11Å; F587-E592 HydrophobicContact CD1-CB 4.3Å; F587-E592 HydrophobicContact CD1-CG 3.79Å; F587-E592 HydrophobicContact CE1-CG 4.47Å; F587-Y593 AromaticContact CD2-CD2 3.88Å; F587-Y593 HydrophobicContact CD2-CD2 3.88Å; F587-Y593 HydrophobicContact CD2-CG 4.38Å; F587-Y593 AromaticContact CE2-CD2 3.93Å; F587-Y593 HydrophobicContact CE2-CD2 3.93Å; F587-W596 HydrophobicContact CE1-CB 3.72Å; F587-W596 HydrophobicContact CE1-CG 4Å; F587-W596 HydrophobicContact CE2-CD2 4.18Å; F587-W596 HydrophobicContact CE2-CE3 4.1Å; F587-W596 HydrophobicContact CE2-CG 4.41Å; F587-W596 HydrophobicContact CZ-CB 3.6Å; F587-W596 AromaticContact CZ-CD2 3.62Å; F587-W596 HydrophobicContact CZ-CD2 3.62Å; F587-W596 AromaticContact CZ-CE3 3.98Å; F587-W596 HydrophobicContact CZ-CE3 3.98Å; F587-W596 AromaticContact CZ-CG 3.44Å; F587-W596 HydrophobicContact CZ-CG 3.44Å; F587-W596 VanDerWaalsContact CZ-CG 3.44Å
588	F	86.5	Confident	86.6	Confident	13 Å²	13	59.3 Å²	59.3	6%	0.057	33%	0.329	C	S	.	.	S	Bend	trans	-104.7	0.7	-176.8	-71.8	-102.4	0	0	0	112.6	I572 T573 P574 I575 E592 R631 H632	I572-F588 HydrophobicContact CB-CD1 4.34Å; I572-F588 HydrophobicContact CD1-CD1 3.65Å; I572-F588 HydrophobicContact CD1-CE1 4.03Å; I572-F588 HydrophobicContact CD1-CG 4.46Å; I572-F588 HydrophobicContact CG1-CD1 3.91Å; I572-F588 HydrophobicContact CG1-CE1 3.94Å; T573-F588 WeakPolarHBondContact O-CD1 3.3Å; P574-F588 HydrophobicContact CG-CE1 4.1Å; P574-F588 HydrophobicContact CG-CE2 4.11Å; P574-F588 HydrophobicContact CG-CZ 3.77Å; I575-F588 VanDerWaalsContact CD1-O 3.29Å; I575-F588 WeakPolarHBondContact CD1-O 3.32Å; F588-E592 PolarHBondContact N-OE2 3.22Å; F588-E592 VanDerWaalsContact N-OE2 3.16Å; F588-R631 HydrophobicContact CE2-CG 4.2Å; F588-R631 HydrophobicContact CZ-CG 3.94Å; F588-H632 AromaticContact CZ-NE2 3.89Å
589	S	82.2	Confident	86.4	Confident	8 Å²	8	66.1 Å²	66.1	6%	0.056	36%	0.361	C	S	.	.	S	Bend	trans	-148.6	149.8	173.3	70.8	0	0	0	0	109.7	E592 Y593 Y682	S589-E592 PolarHBondContact O-N 2.61Å; S589-E592 VanDerWaalsContact OG-CB 3.27Å; S589-E592 WeakPolarHBondContact OG-CB 3.35Å; S589-E592 PolarHBondContact OG-N 2.68Å; S589-Y593 PolarHBondContact O-N 3.26Å; S589-Y682 WeakPolarHBondContact OG-CD2 3.21Å; S589-Y682 WeakPolarHBondContact OG-CE2 3.23Å
590	L	80.6	Confident	86.2	Confident	90 Å²	90	65.2 Å²	65.2	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-43	175.1	-73.8	167.8	0	0	0	112.5	V576 E592 Y593 E594 Y610	V576-L590 HydrophobicContact CG2-CD2 4.15Å; L590-E592 VanDerWaalsContact C-N 3.29Å; L590-E592 PolarHBondContact O-N 2.69Å; L590-Y593 WeakPolarHBondContact O-CB 3.09Å; L590-Y593 PolarHBondContact O-N 2.91Å; L590-E594 WeakPolarHBondContact O-CG 3.49Å; L590-E594 PolarHBondContact O-N 3.47Å; L590-Y610 HydrophobicContact CD2-CE1 4.46Å
591	P	80	Confident	85.8	Confident	41 Å²	41	69.6 Å²	69.6	27%	0.266	38%	0.375	S	S	.	.	H	α-helix	trans	-58.8	-37.2	176.7	-28.1	37.8	0	0	0	113.9	Y593 E594 E595 Y682	P591-Y593 VanDerWaalsContact C-N 3.31Å; P591-Y593 PolarHBondContact O-N 3.45Å; P591-E594 PolarHBondContact O-N 3.07Å; P591-E595 WeakPolarHBondContact O-CB 3.41Å; P591-E595 PolarHBondContact O-N 2.91Å; P591-Y682 HydrophobicContact CB-CD1 3.58Å; P591-Y682 HydrophobicContact CB-CE1 3.61Å; P591-Y682 HydrophobicContact CB-CG 4.27Å; P591-Y682 HydrophobicContact CG-CD1 3.63Å; P591-Y682 HydrophobicContact CG-CE1 4.21Å; P591-Y682 HydrophobicContact CG-CG 4.04Å
592	E	82.3	Confident	85.7	Confident	14 Å²	14	68.8 Å²	68.8	7%	0.065	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-37.3	176	-168.4	-168.1	-176	0	0	112	F587 F588 S589 L590 W596 K686	F587-E592 HydrophobicContact CD1-CB 4.3Å; F587-E592 HydrophobicContact CD1-CG 3.79Å; F587-E592 HydrophobicContact CE1-CG 4.47Å; F588-E592 PolarHBondContact N-OE2 3.22Å; F588-E592 VanDerWaalsContact N-OE2 3.16Å; S589-E592 PolarHBondContact O-N 2.61Å; S589-E592 VanDerWaalsContact OG-CB 3.27Å; S589-E592 WeakPolarHBondContact OG-CB 3.35Å; S589-E592 PolarHBondContact OG-N 2.68Å; L590-E592 VanDerWaalsContact C-N 3.29Å; L590-E592 PolarHBondContact O-N 2.69Å; E592-W596 PolarHBondContact O-N 2.92Å; E592-K686 WeakPolarHBondContact OE1-CE 3.37Å; E592-K686 WeakPolarHBondContact OE1-CG 3.27Å
593	Y	86.1	Confident	85.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-69.6	-45.4	174.5	162.5	-107.7	0	0	0	111.8	V576 V578 F587 S589 L590 P591 E595 W596 K597 I608 Y610	V576-Y593 HydrophobicContact CB-CD2 4.35Å; V576-Y593 HydrophobicContact CB-CG 4.28Å; V576-Y593 HydrophobicContact CG1-CD2 3.74Å; V576-Y593 HydrophobicContact CG1-CE2 3.96Å; V576-Y593 HydrophobicContact CG1-CG 4.07Å; V576-Y593 HydrophobicContact CG2-CD1 4.36Å; V576-Y593 HydrophobicContact CG2-CG 4.2Å; V578-Y593 HydrophobicContact CG1-CD2 4.25Å; V578-Y593 HydrophobicContact CG1-CE2 3.88Å; F587-Y593 AromaticContact CD2-CD2 3.88Å; F587-Y593 HydrophobicContact CD2-CD2 3.88Å; F587-Y593 HydrophobicContact CD2-CG 4.38Å; F587-Y593 AromaticContact CE2-CD2 3.93Å; F587-Y593 HydrophobicContact CE2-CD2 3.93Å; S589-Y593 PolarHBondContact O-N 3.26Å; L590-Y593 WeakPolarHBondContact O-CB 3.09Å; L590-Y593 PolarHBondContact O-N 2.91Å; P591-Y593 VanDerWaalsContact C-N 3.31Å; P591-Y593 PolarHBondContact O-N 3.45Å; Y593-E595 VanDerWaalsContact C-N 3.34Å; Y593-E595 PolarHBondContact O-N 2.99Å; Y593-W596 HydrophobicContact CD2-CE3 4.18Å; Y593-W596 HydrophobicContact CE2-CE3 4.19Å; Y593-W596 HydrophobicContact CE2-CZ3 4.21Å; Y593-W596 WeakPolarHBondContact O-CB 3.48Å; Y593-W596 PolarHBondContact O-N 2.81Å; Y593-K597 HydrophobicContact CE1-CD 4.44Å; Y593-K597 WeakPolarHBondContact O-CB 3.44Å; Y593-K597 PolarHBondContact O-N 3.12Å; Y593-I608 HydrophobicContact CE2-CG2 4.28Å; Y593-I608 WeakPolarHBondContact OH-CD1 3.49Å; Y593-Y610 HydrophobicContact CE1-CE1 4.47Å
594	E	82.6	Confident	85.1	Confident	85 Å²	85	62.9 Å²	62.9	40%	0.397	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-38.4	179.3	-68.5	-59	164.4	0	0	112	L590 P591 W596 K597 A598	L590-E594 WeakPolarHBondContact O-CG 3.49Å; L590-E594 PolarHBondContact O-N 3.47Å; P591-E594 PolarHBondContact O-N 3.07Å; E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 3.38Å; E594-K597 PolarHBondContact O-N 3.31Å; E594-K597 WeakPolarHBondContact OE2-CD 2.88Å; E594-A598 WeakPolarHBondContact O-CB 3.32Å; E594-A598 PolarHBondContact O-N 3.34Å
595	E	83.9	Confident	84.9	Confident	97 Å²	97	60.2 Å²	60.2	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-43	173.8	-172.7	-179.8	-160.4	0	0	111.2	P591 Y593 Q599	P591-E595 WeakPolarHBondContact O-CB 3.41Å; P591-E595 PolarHBondContact O-N 2.91Å; Y593-E595 VanDerWaalsContact C-N 3.34Å; Y593-E595 PolarHBondContact O-N 2.99Å; E595-Q599 WeakPolarHBondContact O-CB 3.36Å; E595-Q599 VanDerWaalsContact O-CG 3.24Å; E595-Q599 WeakPolarHBondContact O-CG 3.38Å; E595-Q599 PolarHBondContact O-N 3.28Å
596	W	88.7	Confident	84.9	Confident	28 Å²	28	57.8 Å²	57.8	11%	0.106	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-42.2	174.7	173	77.9	0	0	0	112.3	V578 F587 E592 Y593 E594 Q599 T600 W603 W606	V578-W596 HydrophobicContact CB-CH2 4.09Å; V578-W596 HydrophobicContact CB-CZ3 4.22Å; V578-W596 HydrophobicContact CG1-CE3 4.45Å; V578-W596 HydrophobicContact CG1-CH2 4.18Å; V578-W596 HydrophobicContact CG1-CZ3 3.8Å; V578-W596 HydrophobicContact CG2-CE3 4.45Å; V578-W596 HydrophobicContact CG2-CH2 3.77Å; V578-W596 HydrophobicContact CG2-CZ2 4.01Å; V578-W596 HydrophobicContact CG2-CZ3 4.01Å; F587-W596 HydrophobicContact CE1-CB 3.72Å; F587-W596 HydrophobicContact CE1-CG 4Å; F587-W596 HydrophobicContact CE2-CD2 4.18Å; F587-W596 HydrophobicContact CE2-CE3 4.1Å; F587-W596 HydrophobicContact CE2-CG 4.41Å; F587-W596 HydrophobicContact CZ-CB 3.6Å; F587-W596 AromaticContact CZ-CD2 3.62Å; F587-W596 HydrophobicContact CZ-CD2 3.62Å; F587-W596 AromaticContact CZ-CE3 3.98Å; F587-W596 HydrophobicContact CZ-CE3 3.98Å; F587-W596 AromaticContact CZ-CG 3.44Å; F587-W596 HydrophobicContact CZ-CG 3.44Å; F587-W596 VanDerWaalsContact CZ-CG 3.44Å; E592-W596 PolarHBondContact O-N 2.92Å; Y593-W596 HydrophobicContact CD2-CE3 4.18Å; Y593-W596 HydrophobicContact CE2-CE3 4.19Å; Y593-W596 HydrophobicContact CE2-CZ3 4.21Å; Y593-W596 WeakPolarHBondContact O-CB 3.48Å; Y593-W596 PolarHBondContact O-N 2.81Å; E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 3.38Å; W596-Q599 PolarHBondContact O-N 3.42Å; W596-T600 HydrophobicContact CH2-CG2 4.37Å; W596-T600 HydrophobicContact CZ2-CG2 3.89Å; W596-T600 PolarHBondContact NE1-OG1 3.29Å; W596-T600 VanDerWaalsContact NE1-OG1 3.14Å; W596-T600 VanDerWaalsContact O-CB 3.26Å; W596-T600 WeakPolarHBondContact O-CB 3.48Å; W596-T600 PolarHBondContact O-N 3.38Å; W596-T600 PolarHBondContact O-OG1 2.99Å; W596-W603 HydrophobicContact CH2-CB 4.46Å; W596-W603 HydrophobicContact CZ3-CB 4.37Å; W596-W606 HydrophobicContact CH2-CB 4.22Å; W596-W606 AromaticContact CH2-CD2 3.73Å; W596-W606 HydrophobicContact CH2-CD2 3.73Å; W596-W606 HydrophobicContact CH2-CE3 4.15Å; W596-W606 AromaticContact CH2-CG 3.76Å; W596-W606 HydrophobicContact CH2-CG 3.76Å; W596-W606 AromaticContact CZ2-CD2 3.82Å; W596-W606 HydrophobicContact CZ2-CD2 3.82Å; W596-W606 AromaticContact CZ2-CE2 3.76Å; W596-W606 HydrophobicContact CZ2-CE3 4.15Å; W596-W606 HydrophobicContact CZ2-CG 4.27Å; W596-W606 HydrophobicContact CZ2-CH2 4.4Å; W596-W606 HydrophobicContact CZ2-CZ2 4.07Å; W596-W606 HydrophobicContact CZ2-CZ3 4.43Å
597	K	86.5	Confident	84.8	Confident	15 Å²	15	63.2 Å²	63.2	7%	0.065	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-47.9	179.2	-171	-167.7	177.1	-155.2	0	110.6	Y593 E594 Q599 T600 W603 D1100	Y593-K597 HydrophobicContact CE1-CD 4.44Å; Y593-K597 WeakPolarHBondContact O-CB 3.44Å; Y593-K597 PolarHBondContact O-N 3.12Å; E594-K597 PolarHBondContact O-N 3.31Å; E594-K597 WeakPolarHBondContact OE2-CD 2.88Å; K597-Q599 VanDerWaalsContact C-N 3.26Å; K597-Q599 PolarHBondContact O-N 3.39Å; K597-T600 PolarHBondContact O-N 3.01Å; K597-T600 VanDerWaalsContact O-N 3.17Å; K597-W603 HydrophobicContact CD-CD2 4.41Å; K597-W603 HydrophobicContact CD-CE3 4.46Å; K597-W603 HydrophobicContact CG-CB 4.16Å; K597-W603 HydrophobicContact CG-CD2 3.84Å; K597-W603 HydrophobicContact CG-CE3 4.22Å; K597-W603 HydrophobicContact CG-CG 3.8Å; K597-D1100 IonicContact NZ-OD2 2.74Å; K597-D1100 PolarHBondContact NZ-OD2 3.37Å; K597-D1100 VanDerWaalsContact NZ-OD2 3.15Å
598	A	84.2	Confident	84.8	Confident	92 Å²	92	64.4 Å²	64.4	76%	0.76	32%	0.322	S	S	*	.	H	α-helix	trans	-61.5	-32.6	177.5	0	0	0	0	0	113	E594	E594-A598 WeakPolarHBondContact O-CB 3.32Å; E594-A598 PolarHBondContact O-N 3.34Å
599	Q	87.4	Confident	84.7	Confident	144 Å²	144	67.7 Å²	67.7	67%	0.673	34%	0.336	S	S	*	.	H	α-helix	trans	-85.6	-12.6	179	-68.7	173	11.4	0	0	113.8	E595 W596 K597	E595-Q599 WeakPolarHBondContact O-CB 3.36Å; E595-Q599 VanDerWaalsContact O-CG 3.24Å; E595-Q599 WeakPolarHBondContact O-CG 3.38Å; E595-Q599 PolarHBondContact O-N 3.28Å; W596-Q599 PolarHBondContact O-N 3.42Å; K597-Q599 VanDerWaalsContact C-N 3.26Å; K597-Q599 PolarHBondContact O-N 3.39Å
600	T	85.8	Confident	84.7	Confident	22 Å²	22	69.3 Å²	69.3	14%	0.135	34%	0.341	C	S	.	.			trans	-108.4	98.1	-172.3	-57.3	0	0	0	0	110.9	W596 K597 N602 W603	W596-T600 HydrophobicContact CH2-CG2 4.37Å; W596-T600 HydrophobicContact CZ2-CG2 3.89Å; W596-T600 PolarHBondContact NE1-OG1 3.29Å; W596-T600 VanDerWaalsContact NE1-OG1 3.14Å; W596-T600 VanDerWaalsContact O-CB 3.26Å; W596-T600 WeakPolarHBondContact O-CB 3.48Å; W596-T600 PolarHBondContact O-N 3.38Å; W596-T600 PolarHBondContact O-OG1 2.99Å; K597-T600 PolarHBondContact O-N 3.01Å; K597-T600 VanDerWaalsContact O-N 3.17Å; T600-N602 WeakPolarHBondContact CG2-OD1 3.26Å; T600-N602 PolarHBondContact O-N 3.09Å; T600-W603 HydrophobicContact CG2-CB 4.34Å; T600-W603 WeakPolarHBondContact O-CB 3.44Å; T600-W603 PolarHBondContact O-N 3.4Å; T600-W603 VanDerWaalsContact O-N 3.07Å
601	H	82.6	Confident	84.7	Confident	175 Å²	175	65.6 Å²	65.6	81%	0.81	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.1	-173.4	-147.2	72.3	0	0	0	114.8	Y604	H601-Y604 WeakPolarHBondContact O-CE1 3.33Å
602	N	87.6	Confident	84.2	Confident	68 Å²	68	66.7 Å²	66.7	36%	0.364	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	27	-179.9	67.7	-7.8	0	0	0	113.3	K580 T600 Y604 S605	K580-N602 PolarHBondContact NZ-ND2 2.83Å; T600-N602 WeakPolarHBondContact CG2-OD1 3.26Å; T600-N602 PolarHBondContact O-N 3.09Å; N602-Y604 PolarHBondContact O-N 2.85Å; N602-S605 WeakPolarHBondContact O-CB 3.43Å; N602-S605 PolarHBondContact O-N 2.95Å; N602-S605 PolarHBondContact O-OG 2.97Å
603	W	81.1	Confident	83.7	Confident	45 Å²	45	66.8 Å²	66.8	17%	0.17	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-54.8	-34	-176.7	65.2	-99.1	0	0	0	113	W596 K597 T600 S605 W606 I608	W596-W603 HydrophobicContact CH2-CB 4.46Å; W596-W603 HydrophobicContact CZ3-CB 4.37Å; K597-W603 HydrophobicContact CD-CD2 4.41Å; K597-W603 HydrophobicContact CD-CE3 4.46Å; K597-W603 HydrophobicContact CG-CB 4.16Å; K597-W603 HydrophobicContact CG-CD2 3.84Å; K597-W603 HydrophobicContact CG-CE3 4.22Å; K597-W603 HydrophobicContact CG-CG 3.8Å; T600-W603 HydrophobicContact CG2-CB 4.34Å; T600-W603 WeakPolarHBondContact O-CB 3.44Å; T600-W603 PolarHBondContact O-N 3.4Å; T600-W603 VanDerWaalsContact O-N 3.07Å; W603-S605 PolarHBondContact O-N 2.92Å; W603-S605 VanDerWaalsContact O-N 3.17Å; W603-W606 VanDerWaalsContact O-CB 3.3Å; W603-W606 WeakPolarHBondContact O-CB 3.29Å; W603-W606 PolarHBondContact O-N 3.15Å; W603-I608 HydrophobicContact CE3-CD1 4.24Å; W603-I608 HydrophobicContact CZ3-CD1 4.41Å
604	Y	82.5	Confident	83.2	Confident	147 Å²	147	66.9 Å²	66.9	58%	0.576	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.6	-20	177.3	49	-96.2	0	0	0	113.9	H601 N602 W606	H601-Y604 WeakPolarHBondContact O-CE1 3.33Å; N602-Y604 PolarHBondContact O-N 2.85Å; Y604-W606 VanDerWaalsContact C-N 3.28Å
605	S	85.8	Confident	82.8	Confident	57 Å²	57	65 Å²	65	40%	0.399	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-81.3	-5.8	173.4	69.9	0	0	0	0	113.7	K580 N602 W603	K580-S605 PolarHBondContact NZ-OG 3.01Å; N602-S605 WeakPolarHBondContact O-CB 3.43Å; N602-S605 PolarHBondContact O-N 2.95Å; N602-S605 PolarHBondContact O-OG 2.97Å; W603-S605 PolarHBondContact O-N 2.92Å; W603-S605 VanDerWaalsContact O-N 3.17Å
606	W	89	Confident	82.3	Confident	21 Å²	21	63.7 Å²	63.7	8%	0.08	33%	0.329	C	S	.	.	S	Bend	trans	-92.4	141.3	178.2	-67.9	67.9	0	0	0	110.4	V578 K580 E583 K585 W596 W603 Y604 I608	V578-W606 HydrophobicContact CB-CE3 3.9Å; V578-W606 HydrophobicContact CG2-CE3 3.74Å; V578-W606 HydrophobicContact CG2-CZ3 4.04Å; K580-W606 HydrophobicContact CB-CD2 3.62Å; K580-W606 HydrophobicContact CB-CE3 3.59Å; K580-W606 HydrophobicContact CB-CG 4.21Å; K580-W606 HydrophobicContact CB-CH2 4.05Å; K580-W606 HydrophobicContact CB-CZ2 4.1Å; K580-W606 HydrophobicContact CB-CZ3 3.81Å; K580-W606 HydrophobicContact CD-CD2 4.12Å; K580-W606 HydrophobicContact CD-CG 4.29Å; K580-W606 HydrophobicContact CD-CZ2 4.13Å; E583-W606 HydrophobicContact CB-CH2 4.2Å; E583-W606 HydrophobicContact CB-CZ3 4.45Å; E583-W606 HydrophobicContact CG-CH2 4.3Å; K585-W606 HydrophobicContact CD-CH2 4.38Å; W596-W606 HydrophobicContact CH2-CB 4.22Å; W596-W606 AromaticContact CH2-CD2 3.73Å; W596-W606 HydrophobicContact CH2-CD2 3.73Å; W596-W606 HydrophobicContact CH2-CE3 4.15Å; W596-W606 AromaticContact CH2-CG 3.76Å; W596-W606 HydrophobicContact CH2-CG 3.76Å; W596-W606 AromaticContact CZ2-CD2 3.82Å; W596-W606 HydrophobicContact CZ2-CD2 3.82Å; W596-W606 AromaticContact CZ2-CE2 3.76Å; W596-W606 HydrophobicContact CZ2-CE3 4.15Å; W596-W606 HydrophobicContact CZ2-CG 4.27Å; W596-W606 HydrophobicContact CZ2-CH2 4.4Å; W596-W606 HydrophobicContact CZ2-CZ2 4.07Å; W596-W606 HydrophobicContact CZ2-CZ3 4.43Å; W603-W606 VanDerWaalsContact O-CB 3.3Å; W603-W606 WeakPolarHBondContact O-CB 3.29Å; W603-W606 PolarHBondContact O-N 3.15Å; Y604-W606 VanDerWaalsContact C-N 3.28Å; W606-I608 PolarHBondContact O-N 3.17Å
607	K	87.6	Confident	82	Confident	154 Å²	154	63.1 Å²	63.1	67%	0.67	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.8	170.2	-176.6	178.7	-174.7	172.2	0	109.1	V578 S579	V578-K607 WeakPolarHBondContact CA-O 3.14Å; S579-K607 PolarHBondContact N-O 2.81Å; S579-K607 PolarHBondContact O-N 2.88Å; S579-K607 PolarHBondContact OG-O 3.33Å
608	I	87.9	Confident	82	Confident	36 Å²	36	65.9 Å²	65.9	19%	0.185	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.6	179.8	-57.7	151.8	0	0	0	108.9	V576 V578 Y593 W603 W606 Y610	V576-I608 HydrophobicContact CG1-CG2 3.89Å; V578-I608 HydrophobicContact CG1-CB 4.4Å; V578-I608 HydrophobicContact CG1-CG1 3.89Å; V578-I608 HydrophobicContact CG1-CG2 4.33Å; Y593-I608 HydrophobicContact CE2-CG2 4.28Å; Y593-I608 WeakPolarHBondContact OH-CD1 3.49Å; W603-I608 HydrophobicContact CE3-CD1 4.24Å; W603-I608 HydrophobicContact CZ3-CD1 4.41Å; W606-I608 PolarHBondContact O-N 3.17Å; I608-Y610 HydrophobicContact CG2-CD2 4.24Å; I608-Y610 HydrophobicContact CG2-CE2 3.67Å
609	K	84.9	Confident	82.1	Confident	82 Å²	82	64 Å²	64	36%	0.357	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.5	175.7	-172.7	178.1	172.5	-160.7	0	110.1	K577 Y611	K577-K609 PolarHBondContact N-O 3.41Å; K577-K609 PolarHBondContact O-N 3.4Å; K609-Y611 HydrophobicContact CB-CE2 4.04Å; K609-Y611 HydrophobicContact CD-CE2 3.78Å; K609-Y611 HydrophobicContact CG-CD2 4.33Å; K609-Y611 HydrophobicContact CG-CE2 3.73Å; K609-Y611 PolarHBondContact NZ-OH 2.96Å; K609-Y611 WeakPolarHBondContact O-CD2 3Å
610	Y	81.9	Confident	82.2	Confident	43 Å²	43	65 Å²	65	17%	0.169	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.4	176.5	-63.2	-88.4	0	0	0	110.7	V576 L590 Y593 I608 D830 N831	V576-Y610 HydrophobicContact CG1-CE1 4.44Å; V576-Y610 HydrophobicContact CG2-CD1 3.66Å; V576-Y610 HydrophobicContact CG2-CE1 3.79Å; L590-Y610 HydrophobicContact CD2-CE1 4.46Å; Y593-Y610 HydrophobicContact CE1-CE1 4.47Å; I608-Y610 HydrophobicContact CG2-CD2 4.24Å; I608-Y610 HydrophobicContact CG2-CE2 3.67Å; Y610-D830 WeakPolarHBondContact CB-OD1 3.39Å; Y610-D830 HydrophobicContact CD2-CB 3.83Å; Y610-D830 WeakPolarHBondContact CD2-OD1 3.1Å; Y610-D830 HydrophobicContact CE2-CB 4.17Å; Y610-D830 HydrophobicContact CG-CB 4.45Å; Y610-N831 PolarHBondContact OH-OD1 2.65Å; Y610-N831 VanDerWaalsContact OH-OD1 3.06Å
611	Y	79.5	Confident	82.3	Confident	12 Å²	12	64.9 Å²	64.9	5%	0.047	33%	0.332	C	S	.	.			trans	-125.5	101.9	-177.7	-73.5	-102.8	0	0	0	108.1	P574 I575 K577 K609 E621	P574-Y611 VanDerWaalsContact O-CB 3.28Å; P574-Y611 WeakPolarHBondContact O-CB 3.47Å; I575-Y611 PolarHBondContact O-N 3.12Å; K577-Y611 HydrophobicContact CB-CE2 3.86Å; K577-Y611 HydrophobicContact CD-CE2 3.97Å; K577-Y611 HydrophobicContact CG-CD2 4.39Å; K577-Y611 HydrophobicContact CG-CE2 3.86Å; K609-Y611 HydrophobicContact CB-CE2 4.04Å; K609-Y611 HydrophobicContact CD-CE2 3.78Å; K609-Y611 HydrophobicContact CG-CD2 4.33Å; K609-Y611 HydrophobicContact CG-CE2 3.73Å; K609-Y611 PolarHBondContact NZ-OH 2.96Å; K609-Y611 WeakPolarHBondContact O-CD2 3Å; Y611-E621 PolarHBondContact OH-OE1 2.65Å
612	K	70.5	Confident	82.5	Confident	64 Å²	64	56.6 Å²	56.6	28%	0.278	29%	0.294	S	S	.	.			trans	-97.6	-42.9	178.3	-58.2	-166.5	-174	-163.5	0	111.9	H756 D829 D830	K612-H756 PolarHBondContact NZ-CD2 3Å; K612-H756 VanDerWaalsContact NZ-CD2 3.27Å; K612-H756 PolarHBondContact NZ-CE1 3.3Å; K612-H756 PolarHBondContact NZ-NE2 2.87Å; K612-D829 IonicContact NZ-OD1 2.69Å; K612-D829 PolarHBondContact NZ-OD1 2.72Å; K612-D829 IonicContact NZ-OD2 2.72Å; K612-D829 PolarHBondContact NZ-OD2 3.04Å; K612-D830 IonicContact NZ-OD1 3.2Å
613	G	71.2	Confident	82.7	Confident	16 Å²	16	58.3 Å²	58.3	17%	0.165	30%	0.298	C	S	.	.	S	Bend	trans	-107.2	149.5	178.3	0	0	0	0	0	113.3	G615 T616	G613-G615 PolarHBondContact O-N 3.01Å; G613-T616 PolarHBondContact O-N 3.3Å; G613-T616 PolarHBondContact O-OG1 3.09Å
614	L	76.5	Confident	83.1	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-64.1	-28.4	174.3	-69.8	167.6	0	0	0	111.7	A463 L466 M537 A538 D539 T573 T616 S617	A463-L614 HydrophobicContact CB-CB 4.05Å; A463-L614 HydrophobicContact CB-CD1 3.51Å; A463-L614 HydrophobicContact CB-CG 4.44Å; L466-L614 WeakPolarHBondContact CD1-O 3.29Å; M537-L614 HydrophobicContact CE-CD1 4.04Å; M537-L614 HydrophobicContact CG-CD1 3.85Å; A538-L614 WeakPolarHBondContact O-CD1 3.27Å; D539-L614 VanDerWaalsContact OD1-CB 3.27Å; D539-L614 WeakPolarHBondContact OD1-CB 3.32Å; D539-L614 VanDerWaalsContact OD1-CG 3.22Å; D539-L614 WeakPolarHBondContact OD1-CG 3.39Å; D539-L614 PolarHBondContact OD1-N 3.23Å; T573-L614 HydrophobicContact CG2-CD2 3.44Å; T573-L614 VanDerWaalsContact CG2-CD2 3.44Å; L614-T616 PolarHBondContact O-N 3.29Å; L614-S617 PolarHBondContact O-N 3.44Å
615	G	72.8	Confident	83.6	Confident	45 Å²	45	54.5 Å²	54.5	46%	0.464	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-63.1	-18.4	176.1	0	0	0	0	0	114.9	S462 G613 S617	S462-G615 WeakPolarHBondContact OG-CA 3.45Å; G613-G615 PolarHBondContact O-N 3.01Å; G615-S617 VanDerWaalsContact C-N 3.31Å
616	T	74	Confident	83.8	Confident	71 Å²	71	52 Å²	52	44%	0.436	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-79.6	-16.9	178.9	-23.3	0	0	0	0	112.6	G613 L614	G613-T616 PolarHBondContact O-N 3.3Å; G613-T616 PolarHBondContact O-OG1 3.09Å; L614-T616 PolarHBondContact O-N 3.29Å
617	S	83.7	Confident	83.9	Confident	16 Å²	16	55 Å²	55	11%	0.112	29%	0.293	C	S	.	.	S	Bend	trans	-80.3	135.6	178.8	-68.2	0	0	0	0	111.1	L466 L614 G615	L466-S617 VanDerWaalsContact CD1-CB 3.44Å; L614-S617 PolarHBondContact O-N 3.44Å; G615-S617 VanDerWaalsContact C-N 3.31Å
618	T	86.4	Confident	84	Confident	72 Å²	72	51.1 Å²	51.1	44%	0.442	28%	0.28	S	S	.	.			trans	-75.2	159.2	177.6	62.3	0	0	0	0	111.6	K620 E621 A622	T618-K620 PolarHBondContact O-N 2.75Å; T618-K620 VanDerWaalsContact O-N 3.15Å; T618-E621 PolarHBondContact N-OE2 3.17Å; T618-E621 PolarHBondContact O-N 2.88Å; T618-E621 VanDerWaalsContact O-N 3.08Å; T618-E621 WeakPolarHBondContact OG1-CG 3.44Å; T618-E621 PolarHBondContact OG1-N 3.32Å; T618-E621 PolarHBondContact OG1-OE2 3.14Å; T618-A622 PolarHBondContact O-N 3.38Å
619	A	85.9	Confident	84.1	Confident	54 Å²	54	50.4 Å²	50.4	45%	0.446	28%	0.276	S	S	.	.	H	α-helix	trans	-59.2	-26.9	174.4	0	0	0	0	0	113.2	K623	A619-K623 WeakPolarHBondContact O-CG 3.41Å; A619-K623 PolarHBondContact O-N 3.2Å; A619-K623 VanDerWaalsContact O-N 3.17Å
620	K	88.7	Confident	84.2	Confident	164 Å²	164	54.3 Å²	54.3	71%	0.713	29%	0.29	S	S	*	.	H	α-helix	trans	-67.7	-47.2	174.1	-175.6	-177.5	175.5	-173.9	0	111	T618 A622 K623 E624	T618-K620 PolarHBondContact O-N 2.75Å; T618-K620 VanDerWaalsContact O-N 3.15Å; K620-A622 VanDerWaalsContact C-N 3.31Å; K620-A622 PolarHBondContact O-N 3.15Å; K620-K623 PolarHBondContact O-N 3.1Å; K620-E624 PolarHBondContact O-N 3.2Å; K620-E624 VanDerWaalsContact O-N 3.08Å
621	E	88.4	Confident	84.6	Confident	20 Å²	20	53.7 Å²	53.7	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-38.9	176.4	-68.6	169	120.9	0	0	111.2	K577 Y611 T618 K623 E624 Y625	K577-E621 IonicContact NZ-OE1 3.37Å; K577-E621 PolarHBondContact NZ-OE1 2.92Å; Y611-E621 PolarHBondContact OH-OE1 2.65Å; T618-E621 PolarHBondContact N-OE2 3.17Å; T618-E621 PolarHBondContact O-N 2.88Å; T618-E621 VanDerWaalsContact O-N 3.08Å; T618-E621 WeakPolarHBondContact OG1-CG 3.44Å; T618-E621 PolarHBondContact OG1-N 3.32Å; T618-E621 PolarHBondContact OG1-OE2 3.14Å; E621-K623 VanDerWaalsContact C-N 3.32Å; E621-K623 PolarHBondContact O-N 3.08Å; E621-E624 WeakPolarHBondContact O-CA 3.4Å; E621-E624 WeakPolarHBondContact O-CB 3.37Å; E621-E624 PolarHBondContact O-N 2.91Å; E621-E624 VanDerWaalsContact O-N 3.08Å; E621-Y625 HydrophobicContact CB-CE1 4.36Å; E621-Y625 HydrophobicContact CB-CE2 4.15Å; E621-Y625 WeakPolarHBondContact O-CD1 3.5Å; E621-Y625 WeakPolarHBondContact O-CD2 3.42Å; E621-Y625 PolarHBondContact O-N 3.34Å
622	A	87.4	Confident	85.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.4	-47.3	173	0	0	0	0	0	111.6	L466 T618 K620 E624 Y625 F626	L466-A622 HydrophobicContact CD1-CB 4.08Å; L466-A622 HydrophobicContact CD2-CB 4.47Å; L466-A622 HydrophobicContact CG-CB 3.74Å; T618-A622 PolarHBondContact O-N 3.38Å; K620-A622 VanDerWaalsContact C-N 3.31Å; K620-A622 PolarHBondContact O-N 3.15Å; A622-E624 VanDerWaalsContact C-N 3.28Å; A622-E624 PolarHBondContact O-N 3.38Å; A622-Y625 PolarHBondContact O-N 2.92Å; A622-F626 WeakPolarHBondContact O-CB 3.38Å; A622-F626 WeakPolarHBondContact O-CD2 3.49Å; A622-F626 PolarHBondContact O-N 3.39Å
623	K	90.7	Very high	86.2	Confident	104 Å²	104	53.3 Å²	53.3	45%	0.452	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-39	176.3	-69	175.7	-177	-173.4	0	111.9	S472 V473 A619 K620 E621 F626 S627	S472-K623 WeakPolarHBondContact OG-CE 3.3Å; V473-K623 HydrophobicContact CG2-CB 3.8Å; V473-K623 HydrophobicContact CG2-CG 3.91Å; A619-K623 WeakPolarHBondContact O-CG 3.41Å; A619-K623 PolarHBondContact O-N 3.2Å; A619-K623 VanDerWaalsContact O-N 3.17Å; K620-K623 PolarHBondContact O-N 3.1Å; E621-K623 VanDerWaalsContact C-N 3.32Å; E621-K623 PolarHBondContact O-N 3.08Å; K623-F626 PolarHBondContact O-N 3.1Å; K623-S627 WeakPolarHBondContact O-CB 3.41Å; K623-S627 PolarHBondContact O-N 3.11Å; K623-S627 PolarHBondContact O-OG 2.94Å
624	E	90.2	Very high	87.3	Confident	106 Å²	106	52.6 Å²	52.6	50%	0.495	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-46.9	178.6	-154.7	170.6	-143.6	0	0	111.4	K620 E621 A622 F626 S627 D628	K620-E624 PolarHBondContact O-N 3.2Å; K620-E624 VanDerWaalsContact O-N 3.08Å; E621-E624 WeakPolarHBondContact O-CA 3.4Å; E621-E624 WeakPolarHBondContact O-CB 3.37Å; E621-E624 PolarHBondContact O-N 2.91Å; E621-E624 VanDerWaalsContact O-N 3.08Å; A622-E624 VanDerWaalsContact C-N 3.28Å; A622-E624 PolarHBondContact O-N 3.38Å; E624-F626 VanDerWaalsContact C-N 3.3Å; E624-F626 PolarHBondContact O-N 2.84Å; E624-S627 VanDerWaalsContact C-OG 3.31Å; E624-S627 VanDerWaalsContact CA-OG 3.3Å; E624-S627 WeakPolarHBondContact CA-OG 3.37Å; E624-S627 PolarHBondContact O-N 2.62Å; E624-S627 PolarHBondContact O-OG 3.38Å; E624-D628 PolarHBondContact O-N 3.08Å; E624-D628 VanDerWaalsContact O-N 3.08Å
625	Y	91.8	Very high	88.1	Confident	7 Å²	7	57.2 Å²	57.2	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-42.3	174.5	-56.4	-22.1	0	0	0	111.5	T573 P574 K577 E621 A622 S627 D628 H632	T573-Y625 HydrophobicContact CG2-CD2 4.06Å; T573-Y625 HydrophobicContact CG2-CE2 4.03Å; P574-Y625 HydrophobicContact CG-CE1 4.01Å; K577-Y625 WeakPolarHBondContact CE-OH 3.47Å; K577-Y625 PolarHBondContact NZ-OH 2.66Å; E621-Y625 HydrophobicContact CB-CE1 4.36Å; E621-Y625 HydrophobicContact CB-CE2 4.15Å; E621-Y625 WeakPolarHBondContact O-CD1 3.5Å; E621-Y625 WeakPolarHBondContact O-CD2 3.42Å; E621-Y625 PolarHBondContact O-N 3.34Å; A622-Y625 PolarHBondContact O-N 2.92Å; Y625-S627 VanDerWaalsContact C-N 3.33Å; Y625-S627 PolarHBondContact O-N 2.87Å; Y625-D628 CarbonylContact O-C 3.54Å; Y625-D628 VanDerWaalsContact O-C 3.24Å; Y625-D628 PolarHBondContact O-N 3.19Å; Y625-H632 AromaticContact CD1-CD2 3.83Å; Y625-H632 AromaticContact CD1-CE1 3.93Å; Y625-H632 AromaticContact CD1-NE2 3.11Å; Y625-H632 WeakPolarHBondContact CD1-NE2 3.44Å; Y625-H632 AromaticContact CE1-NE2 3.86Å; Y625-H632 AromaticContact CG-CD2 3.73Å; Y625-H632 AromaticContact CG-NE2 3.52Å
626	F	91.1	Very high	89.2	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-74.1	-23.2	179.8	-83.4	-104.2	0	0	0	113.5	I456 L466 A467 V473 V474 M537 F571 A622 K623 E624 M629	I456-F626 HydrophobicContact CD1-CE1 4.09Å; I456-F626 HydrophobicContact CD1-CZ 4.19Å; L466-F626 HydrophobicContact CD2-CE2 4.27Å; A467-F626 HydrophobicContact CB-CZ 4.4Å; V473-F626 HydrophobicContact CB-CB 4.18Å; V474-F626 HydrophobicContact CG1-CB 4.36Å; V474-F626 HydrophobicContact CG1-CD1 3.95Å; V474-F626 HydrophobicContact CG2-CD1 3.86Å; V474-F626 HydrophobicContact CG2-CE1 4.33Å; M537-F626 HydrophobicContact SD-CZ 4.49Å; F571-F626 HydrophobicContact CE1-CE2 4.43Å; F571-F626 HydrophobicContact CE2-CD2 4.24Å; F571-F626 HydrophobicContact CE2-CE2 4Å; F571-F626 HydrophobicContact CE2-CZ 4.14Å; F571-F626 AromaticContact CZ-CD2 3.93Å; F571-F626 HydrophobicContact CZ-CD2 3.93Å; F571-F626 AromaticContact CZ-CE2 3.72Å; F571-F626 HydrophobicContact CZ-CE2 3.72Å; F571-F626 HydrophobicContact CZ-CZ 4.29Å; A622-F626 WeakPolarHBondContact O-CB 3.38Å; A622-F626 WeakPolarHBondContact O-CD2 3.49Å; A622-F626 PolarHBondContact O-N 3.39Å; K623-F626 PolarHBondContact O-N 3.1Å; E624-F626 VanDerWaalsContact C-N 3.3Å; E624-F626 PolarHBondContact O-N 2.84Å; F626-M629 HydrophobicContact CB-CE 3.83Å; F626-M629 HydrophobicContact CD1-CE 3.5Å; F626-M629 VanDerWaalsContact CD1-CE 3.5Å; F626-M629 HydrophobicContact CE1-CE 4.23Å; F626-M629 HydrophobicContact CG-CE 3.78Å; F626-M629 WeakPolarHBondContact O-CE 3.5Å
627	S	91.5	Very high	90.1	Very high	83 Å²	83	55.4 Å²	55.4	58%	0.58	27%	0.268	S	S	*	.	H	α-helix	trans	-73.9	-32.8	169.9	53.6	0	0	0	0	112.7	K623 E624 Y625	K623-S627 WeakPolarHBondContact O-CB 3.41Å; K623-S627 PolarHBondContact O-N 3.11Å; K623-S627 PolarHBondContact O-OG 2.94Å; E624-S627 VanDerWaalsContact C-OG 3.31Å; E624-S627 VanDerWaalsContact CA-OG 3.3Å; E624-S627 WeakPolarHBondContact CA-OG 3.37Å; E624-S627 PolarHBondContact O-N 2.62Å; E624-S627 PolarHBondContact O-OG 3.38Å; Y625-S627 VanDerWaalsContact C-N 3.33Å; Y625-S627 PolarHBondContact O-N 2.87Å
628	D	90.2	Very high	90.6	Very high	73 Å²	73	57.4 Å²	57.4	39%	0.39	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	58.2	174	-172.4	10.2	0	0	0	112.1	E624 Y625 Y630 R631 H632	E624-D628 PolarHBondContact O-N 3.08Å; E624-D628 VanDerWaalsContact O-N 3.08Å; Y625-D628 CarbonylContact O-C 3.54Å; Y625-D628 VanDerWaalsContact O-C 3.24Å; Y625-D628 PolarHBondContact O-N 3.19Å; D628-Y630 PolarHBondContact O-N 3.06Å; D628-Y630 VanDerWaalsContact O-N 3.1Å; D628-R631 PolarHBondContact O-N 3.44Å; D628-R631 VanDerWaalsContact O-N 3.15Å; D628-R631 PolarHBondContact OD1-N 3.42Å; D628-R631 VanDerWaalsContact OD1-N 3.14Å; D628-R631 WeakPolarHBondContact OD2-CB 3.42Å; D628-H632 PolarHBondContact O-N 2.79Å; D628-H632 PolarHBondContact O-ND1 2.78Å
629	M	89.4	Confident	90.8	Very high	22 Å²	22	57.3 Å²	57.3	11%	0.108	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-23	175.2	-152.2	58.1	51.4	0	0	112.3	V474 F571 F626 R631 R633	V474-M629 HydrophobicContact CG1-CE 3.77Å; F571-M629 HydrophobicContact CD2-SD 4.07Å; F571-M629 HydrophobicContact CE2-CE 4.24Å; F571-M629 HydrophobicContact CE2-SD 3.68Å; F626-M629 HydrophobicContact CB-CE 3.83Å; F626-M629 HydrophobicContact CD1-CE 3.5Å; F626-M629 VanDerWaalsContact CD1-CE 3.5Å; F626-M629 HydrophobicContact CE1-CE 4.23Å; F626-M629 HydrophobicContact CG-CE 3.78Å; F626-M629 WeakPolarHBondContact O-CE 3.5Å; M629-R631 VanDerWaalsContact C-N 3.34Å; M629-R633 HydrophobicContact CG-CB 4.26Å; M629-R633 WeakPolarHBondContact O-CB 3.45Å; M629-R633 PolarHBondContact O-N 3.37Å
630	Y	87.3	Confident	91.1	Very high	163 Å²	163	55.7 Å²	55.7	64%	0.639	27%	0.269	S	S	*	.	H	α-helix	trans	-67.7	-34.2	179.7	-176.1	-103.3	0	0	0	112.1	D628 K689	D628-Y630 PolarHBondContact O-N 3.06Å; D628-Y630 VanDerWaalsContact O-N 3.1Å; Y630-K689 HydrophobicContact CE1-CD 4.31Å; Y630-K689 PolarHBondContact O-NZ 3.39Å
631	R	88.9	Confident	91.3	Very high	30 Å²	30	53.5 Å²	53.5	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-82.6	-36.1	174.9	179.2	61.6	-176.8	107.2	-10.9	113.7	F588 D628 M629	F588-R631 HydrophobicContact CE2-CG 4.2Å; F588-R631 HydrophobicContact CZ-CG 3.94Å; D628-R631 PolarHBondContact O-N 3.44Å; D628-R631 VanDerWaalsContact O-N 3.15Å; D628-R631 PolarHBondContact OD1-N 3.42Å; D628-R631 VanDerWaalsContact OD1-N 3.14Å; D628-R631 WeakPolarHBondContact OD2-CB 3.42Å; M629-R631 VanDerWaalsContact C-N 3.34Å
632	H	91.3	Very high	91.5	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-89.8	-23.7	-169.1	-64.5	65.5	0	0	0	113.2	F571 I572 F588 Y625 D628	F571-H632 WeakPolarHBondContact CA-O 3.36Å; F571-H632 HydrophobicContact CD2-CB 4.26Å; F571-H632 HydrophobicContact CE1-CB 4.37Å; F571-H632 HydrophobicContact CE2-CB 3.84Å; F571-H632 HydrophobicContact CZ-CB 3.92Å; I572-H632 WeakPolarHBondContact CG1-O 3.4Å; I572-H632 PolarHBondContact N-O 2.95Å; I572-H632 PolarHBondContact O-CD2 3.38Å; F588-H632 AromaticContact CZ-NE2 3.89Å; Y625-H632 AromaticContact CD1-CD2 3.83Å; Y625-H632 AromaticContact CD1-CE1 3.93Å; Y625-H632 AromaticContact CD1-NE2 3.11Å; Y625-H632 WeakPolarHBondContact CD1-NE2 3.44Å; Y625-H632 AromaticContact CE1-NE2 3.86Å; Y625-H632 AromaticContact CG-CD2 3.73Å; Y625-H632 AromaticContact CG-NE2 3.52Å; D628-H632 PolarHBondContact O-N 2.79Å; D628-H632 PolarHBondContact O-ND1 2.78Å
633	R	93.2	Very high	91.8	Very high	59 Å²	59	59 Å²	59	22%	0.223	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.3	176.7	-178	-178.1	65.3	-170.3	-2.1	111.3	M535 E569 E570 M629	M535-R633 HydrophobicContact CE-CB 4.45Å; M535-R633 HydrophobicContact CE-CG 3.87Å; E569-R633 VanDerWaalsContact OE2-CD 3.27Å; E569-R633 WeakPolarHBondContact OE2-CD 3.36Å; E570-R633 WeakPolarHBondContact O-CA 3.23Å; M629-R633 HydrophobicContact CG-CB 4.26Å; M629-R633 WeakPolarHBondContact O-CB 3.45Å; M629-R633 PolarHBondContact O-N 3.37Å
634	I	93.5	Very high	92	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135	171.9	-55.6	-60.3	0	0	0	109.3	E569 E570 I572 Y684 T688 V691	E569-I634 CarbonylContact C-O 3.58Å; E569-I634 WeakPolarHBondContact CA-O 3.4Å; E570-I634 HydrophobicContact CB-CB 4.4Å; E570-I634 PolarHBondContact N-O 2.61Å; E570-I634 PolarHBondContact O-N 3.48Å; I572-I634 HydrophobicContact CD1-CD1 3.88Å; I572-I634 HydrophobicContact CD1-CG1 3.71Å; I572-I634 HydrophobicContact CG1-CG1 3.98Å; I572-I634 HydrophobicContact CG2-CG1 4Å; I634-Y684 HydrophobicContact CG1-CD1 4.45Å; I634-Y684 HydrophobicContact CG1-CE1 4.21Å; I634-Y684 HydrophobicContact CG2-CE1 4.35Å; I634-T688 HydrophobicContact CD1-CG2 4.35Å; I634-T688 WeakPolarHBondContact CD1-O 3.25Å; I634-V691 HydrophobicContact CG2-CG2 3.46Å; I634-V691 VanDerWaalsContact CG2-CG2 3.46Å
635	R	94.7	Very high	92.1	Very high	98 Å²	98	53 Å²	53	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	139.5	177.9	-62	179.1	-176.5	163.4	4.1	110.8	E569 K689 A690 V691	E569-R635 HydrophobicContact CG-CG 4.31Å; E569-R635 IonicContact OE1-NE 2.8Å; R635-K689 PolarHBondContact N-O 2.87Å; R635-K689 VanDerWaalsContact N-O 3.1Å; R635-A690 HydrophobicContact CB-CB 4.44Å; R635-A690 CarbonylContact O-C 3.58Å; R635-A690 WeakPolarHBondContact O-CA 3.37Å; R635-V691 PolarHBondContact O-N 3.21Å
636	F	95	Very high	92.3	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.4	163.9	-68.3	-79.7	0	0	0	109.6	I552 N566 L568 E570 V691 F693 F696	I552-F636 HydrophobicContact CD1-CE1 3.98Å; I552-F636 HydrophobicContact CD1-CE2 4.22Å; I552-F636 HydrophobicContact CD1-CZ 3.8Å; N566-F636 PolarHBondContact OD1-O 3.32Å; L568-F636 HydrophobicContact CB-CD2 4Å; L568-F636 PolarHBondContact O-N 2.74Å; E570-F636 HydrophobicContact CB-CE2 3.91Å; E570-F636 HydrophobicContact CB-CZ 4.3Å; E570-F636 WeakPolarHBondContact OE2-CZ 3.35Å; F636-V691 WeakPolarHBondContact CA-O 3.41Å; F636-V691 HydrophobicContact CD1-CG2 4.07Å; F636-V691 HydrophobicContact CE1-CG2 4.01Å; F636-F693 HydrophobicContact CB-CD1 4.4Å; F636-F693 HydrophobicContact CB-CE1 3.61Å; F636-F693 HydrophobicContact CB-CE2 4.09Å; F636-F693 HydrophobicContact CB-CZ 3.41Å; F636-F693 VanDerWaalsContact CB-CZ 3.41Å; F636-F693 HydrophobicContact CD1-CD1 4.03Å; F636-F693 AromaticContact CD1-CE1 3.93Å; F636-F693 HydrophobicContact CD1-CE1 3.93Å; F636-F693 HydrophobicContact CG-CD1 4.37Å; F636-F693 AromaticContact CG-CE1 3.79Å; F636-F693 HydrophobicContact CG-CE1 3.79Å; F636-F693 HydrophobicContact CG-CZ 4.13Å; F636-F696 HydrophobicContact CE1-CB 4.01Å; F636-F696 HydrophobicContact CE1-CD2 4.18Å; F636-F696 HydrophobicContact CE1-CG 4.05Å; F636-F696 HydrophobicContact CZ-CD2 4.4Å
637	H	93.1	Very high	92.4	Very high	77 Å²	77	52.8 Å²	52.8	36%	0.356	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.9	172.1	88.8	-67.7	0	0	0	109.5	V691 S692	H637-V691 PolarHBondContact N-O 2.99Å; H637-V691 VanDerWaalsContact ND1-C 3.3Å; H637-V691 PolarHBondContact ND1-O 3.33Å; H637-V691 VanDerWaalsContact ND1-O 3.11Å; H637-S692 PolarHBondContact ND1-N 2.85Å; H637-S692 WeakPolarHBondContact O-CA 3.31Å
638	Y	93.5	Very high	92.5	Very high	58 Å²	58	51.5 Å²	51.5	23%	0.227	26%	0.259	C	S	.	.			trans	-87.6	117.7	176	179.7	-100.3	0	0	0	109.8	I563 R564 G640 D643 D644 F693	I563-Y638 HydrophobicContact CG2-CD2 4.37Å; R564-Y638 HydrophobicContact CB-CD1 4.29Å; R564-Y638 HydrophobicContact CB-CG 4.47Å; R564-Y638 HydrophobicContact CG-CD1 3.91Å; R564-Y638 HydrophobicContact CG-CD2 4.35Å; R564-Y638 HydrophobicContact CG-CE1 3.9Å; R564-Y638 HydrophobicContact CG-CE2 4.33Å; R564-Y638 HydrophobicContact CG-CG 4.13Å; Y638-G640 VanDerWaalsContact CE2-O 3.27Å; Y638-G640 WeakPolarHBondContact CE2-O 3.19Å; Y638-G640 VanDerWaalsContact CZ-C 3.43Å; Y638-G640 VanDerWaalsContact CZ-O 3.25Å; Y638-G640 PolarHBondContact OH-O 3.11Å; Y638-D643 WeakPolarHBondContact CA-OD2 3.46Å; Y638-D643 HydrophobicContact CD2-CB 3.94Å; Y638-D643 HydrophobicContact CE2-CB 3.98Å; Y638-D644 PolarHBondContact OH-OD2 3.22Å; Y638-F693 HydrophobicContact CD2-CD2 4.42Å
639	A	91.1	Very high	92.6	Very high	70 Å²	70	49.3 Å²	49.3	58%	0.579	25%	0.247	S	C	*	.			trans	-94	-11	-177.9	0	0	0	0	0	113.3	D643	A639-D643 PolarHBondContact N-OD2 3Å
640	G	91.8	Very high	92.7	Very high	21 Å²	21	48.7 Å²	48.7	22%	0.216	25%	0.245	C	C	.	.	S	Bend	trans	136.6	-163.6	177.7	0	0	0	0	0	113.4	Y638 E642 D643	Y638-G640 VanDerWaalsContact CE2-O 3.27Å; Y638-G640 WeakPolarHBondContact CE2-O 3.19Å; Y638-G640 VanDerWaalsContact CZ-C 3.43Å; Y638-G640 VanDerWaalsContact CZ-O 3.25Å; Y638-G640 PolarHBondContact OH-O 3.11Å; G640-E642 PolarHBondContact O-N 2.65Å; G640-E642 VanDerWaalsContact O-N 3.08Å; G640-D643 WeakPolarHBondContact O-CB 3.05Å; G640-D643 PolarHBondContact O-N 2.88Å
641	N	92.6	Very high	93	Very high	117 Å²	117	41.3 Å²	41.3	63%	0.626	22%	0.216	S	C	*	.	H	α-helix	trans	-65	-17	-172.2	-150.8	33.4	0	0	0	113.9	D643 D644 C645	N641-D643 VanDerWaalsContact C-N 3.3Å; N641-D644 PolarHBondContact O-N 3.19Å; N641-D644 PolarHBondContact OD1-OD2 3.31Å; N641-C645 PolarHBondContact O-N 3.3Å; N641-C645 VanDerWaalsContact O-N 3.08Å; N641-C645 PolarHBondContact O-SG 3.29Å
642	E	93.4	Very high	93	Very high	133 Å²	133	40.4 Å²	40.4	62%	0.621	21%	0.214	S	C	*	.	H	α-helix	trans	-64.3	-35	172.9	-62.6	-170.6	-177	0	0	112.2	G640 C645 A646 K694	G640-E642 PolarHBondContact O-N 2.65Å; G640-E642 VanDerWaalsContact O-N 3.08Å; E642-C645 PolarHBondContact O-N 2.9Å; E642-A646 WeakPolarHBondContact O-CB 3.44Å; E642-A646 PolarHBondContact O-N 3.18Å; E642-K694 HydrophobicContact CB-CD 4.19Å
643	D	94.6	Very high	92.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.011	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-42.7	175.3	-77	-20	0	0	0	110.9	Y638 A639 G640 N641 C645 A646 L647 F693 K694	Y638-D643 WeakPolarHBondContact CA-OD2 3.46Å; Y638-D643 HydrophobicContact CD2-CB 3.94Å; Y638-D643 HydrophobicContact CE2-CB 3.98Å; A639-D643 PolarHBondContact N-OD2 3Å; G640-D643 WeakPolarHBondContact O-CB 3.05Å; G640-D643 PolarHBondContact O-N 2.88Å; N641-D643 VanDerWaalsContact C-N 3.3Å; D643-C645 VanDerWaalsContact C-N 3.32Å; D643-C645 PolarHBondContact O-N 2.77Å; D643-A646 PolarHBondContact O-N 2.97Å; D643-L647 WeakPolarHBondContact O-CG 3.5Å; D643-L647 PolarHBondContact O-N 2.91Å; D643-F693 HydrophobicContact CB-CB 3.87Å; D643-F693 HydrophobicContact CB-CD2 4.24Å; D643-F693 PolarHBondContact OD1-N 2.88Å; D643-K694 WeakPolarHBondContact OD1-CB 3.48Å; D643-K694 PolarHBondContact OD1-N 3.15Å
644	D	93.6	Very high	92.3	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-43.1	175.8	-64.8	-51.4	0	0	0	110.8	H556 Y638 N641 L647 D648	H556-D644 IonicContact CD2-OD1 3.56Å; H556-D644 IonicContact CE1-OD1 2.7Å; H556-D644 IonicContact NE2-OD1 2.97Å; H556-D644 PolarHBondContact NE2-OD1 3.45Å; Y638-D644 PolarHBondContact OH-OD2 3.22Å; N641-D644 PolarHBondContact O-N 3.19Å; N641-D644 PolarHBondContact OD1-OD2 3.31Å; D644-L647 PolarHBondContact O-N 3.03Å; D644-D648 WeakPolarHBondContact O-CB 3.12Å; D644-D648 PolarHBondContact O-N 2.95Å
645	C	93.6	Very high	92	Very high	64 Å²	64	55.7 Å²	55.7	43%	0.432	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-39.8	177.8	-68.8	0	0	0	0	112.5	N641 E642 D643 D648 L649	N641-C645 PolarHBondContact O-N 3.3Å; N641-C645 VanDerWaalsContact O-N 3.08Å; N641-C645 PolarHBondContact O-SG 3.29Å; E642-C645 PolarHBondContact O-N 2.9Å; D643-C645 VanDerWaalsContact C-N 3.32Å; D643-C645 PolarHBondContact O-N 2.77Å; C645-D648 PolarHBondContact O-N 3.02Å; C645-L649 WeakPolarHBondContact O-CB 3.1Å; C645-L649 PolarHBondContact O-N 2.88Å
646	A	94.7	Very high	91.6	Very high	8 Å²	8	53.4 Å²	53.4	7%	0.066	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-42.3	178.5	0	0	0	0	0	111.8	E642 D643 L649 A650 K694 V697	E642-A646 WeakPolarHBondContact O-CB 3.44Å; E642-A646 PolarHBondContact O-N 3.18Å; D643-A646 PolarHBondContact O-N 2.97Å; A646-L649 WeakPolarHBondContact O-CB 3.49Å; A646-L649 PolarHBondContact O-N 2.92Å; A646-A650 WeakPolarHBondContact O-CB 3.44Å; A646-A650 PolarHBondContact O-N 3.47Å; A646-K694 HydrophobicContact CB-CB 4.21Å; A646-K694 HydrophobicContact CB-CG 4.23Å; A646-V697 HydrophobicContact CB-CB 4.22Å; A646-V697 HydrophobicContact CB-CG1 4.33Å; A646-V697 HydrophobicContact CB-CG2 4.3Å
647	L	94.3	Very high	91.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.2	-40.1	174.5	-68	173.6	0	0	0	111.7	I552 H556 D643 D644 A650 F651 F693 V697	I552-L647 HydrophobicContact CG2-CD1 3.95Å; I552-L647 HydrophobicContact CG2-CD2 3.62Å; I552-L647 HydrophobicContact CG2-CG 4.47Å; H556-L647 HydrophobicContact CB-CD1 4.09Å; D643-L647 WeakPolarHBondContact O-CG 3.5Å; D643-L647 PolarHBondContact O-N 2.91Å; D644-L647 PolarHBondContact O-N 3.03Å; L647-A650 PolarHBondContact O-N 3.35Å; L647-F651 HydrophobicContact CD2-CE2 4.27Å; L647-F651 WeakPolarHBondContact O-CD2 3.39Å; L647-F651 PolarHBondContact O-N 3.34Å; L647-F651 VanDerWaalsContact O-N 3.13Å; L647-F693 HydrophobicContact CD1-CB 4.19Å; L647-F693 HydrophobicContact CD1-CD1 4.35Å; L647-F693 HydrophobicContact CD1-CG 4.31Å; L647-F693 HydrophobicContact CG-CB 4.35Å; L647-V697 HydrophobicContact CD2-CG2 4.04Å
648	D	92.3	Very high	91	Very high	56 Å²	56	59.1 Å²	59.1	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-45.1	172.6	-101.4	37.1	0	0	0	112.1	R492 D644 C645 A650 S652	R492-D648 IonicContact CZ-OD1 2.66Å; R492-D648 IonicContact NH1-OD1 3.57Å; R492-D648 PolarHBondContact NH1-OD1 2.74Å; R492-D648 IonicContact NH1-OD2 3.81Å; R492-D648 IonicContact NH2-OD1 2.79Å; R492-D648 PolarHBondContact NH2-OD1 3.17Å; D644-D648 WeakPolarHBondContact O-CB 3.12Å; D644-D648 PolarHBondContact O-N 2.95Å; C645-D648 PolarHBondContact O-N 3.02Å; D648-A650 VanDerWaalsContact C-N 3.34Å; D648-A650 PolarHBondContact O-N 2.96Å; D648-S652 WeakPolarHBondContact O-CB 3.46Å; D648-S652 PolarHBondContact O-N 2.98Å
649	L	93.1	Very high	90.9	Very high	27 Å²	27	58 Å²	58	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-46.7	177.2	173.6	65.8	0	0	0	111.4	C645 A646 K655 D658 R659 W662	C645-L649 WeakPolarHBondContact O-CB 3.1Å; C645-L649 PolarHBondContact O-N 2.88Å; A646-L649 WeakPolarHBondContact O-CB 3.49Å; A646-L649 PolarHBondContact O-N 2.92Å; L649-K655 HydrophobicContact CB-CD 4.47Å; L649-K655 HydrophobicContact CD1-CB 4.44Å; L649-D658 HydrophobicContact CD1-CB 3.49Å; L649-D658 VanDerWaalsContact CD1-CB 3.49Å; L649-R659 HydrophobicContact CD1-CB 4.28Å; L649-R659 PolarHBondContact O-NE 2.82Å; L649-R659 VanDerWaalsContact O-NE 3.09Å; L649-R659 PolarHBondContact O-NH2 3.09Å; L649-W662 HydrophobicContact CD2-CB 4.27Å; L649-W662 HydrophobicContact CD2-CD2 4.27Å; L649-W662 HydrophobicContact CD2-CG 4.02Å
650	A	92.3	Very high	90.8	Very high	8 Å²	8	56.8 Å²	56.8	7%	0.066	29%	0.286	C	S	.	.	H	α-helix	trans	-70.4	-34.3	-175.7	0	0	0	0	0	113.8	A646 L647 D648 R659 V697 L701	A646-A650 WeakPolarHBondContact O-CB 3.44Å; A646-A650 PolarHBondContact O-N 3.47Å; L647-A650 PolarHBondContact O-N 3.35Å; D648-A650 VanDerWaalsContact C-N 3.34Å; D648-A650 PolarHBondContact O-N 2.96Å; A650-R659 PolarHBondContact O-NH1 3.26Å; A650-R659 PolarHBondContact O-NH2 2.96Å; A650-V697 HydrophobicContact CB-CG1 4.11Å; A650-V697 HydrophobicContact CB-CG2 4.39Å; A650-L701 HydrophobicContact CB-CD2 3.67Å
651	F	92.4	Very high	90.7	Very high	8 Å²	8	63 Å²	63	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-118.2	-15.8	-169.1	-62.4	-73.7	0	0	0	115.8	N490 G549 L550 N553 L647 L701	N490-F651 PolarHBondContact ND2-O 3.25Å; G549-F651 WeakPolarHBondContact O-CE2 3.45Å; G549-F651 WeakPolarHBondContact O-CZ 3.48Å; L550-F651 HydrophobicContact CD2-CD1 4.38Å; L550-F651 HydrophobicContact CD2-CE1 4.17Å; L550-F651 HydrophobicContact CG-CE1 4.43Å; N553-F651 HydrophobicContact CB-CB 4.37Å; N553-F651 HydrophobicContact CB-CD1 4.07Å; N553-F651 HydrophobicContact CB-CD2 3.58Å; N553-F651 HydrophobicContact CB-CE1 4.31Å; N553-F651 HydrophobicContact CB-CE2 3.86Å; N553-F651 HydrophobicContact CB-CG 3.72Å; N553-F651 HydrophobicContact CB-CZ 4.23Å; N553-F651 VanDerWaalsContact OD1-CB 3.32Å; N553-F651 WeakPolarHBondContact OD1-CB 3.49Å; L647-F651 HydrophobicContact CD2-CE2 4.27Å; L647-F651 WeakPolarHBondContact O-CD2 3.39Å; L647-F651 PolarHBondContact O-N 3.34Å; L647-F651 VanDerWaalsContact O-N 3.13Å; F651-L701 HydrophobicContact CE1-CD2 4.49Å; F651-L701 HydrophobicContact CE2-CD2 3.88Å; F651-L701 HydrophobicContact CZ-CD1 4.48Å; F651-L701 HydrophobicContact CZ-CD2 3.57Å
652	S	89.5	Confident	90.6	Very high	11 Å²	11	59.2 Å²	59.2	8%	0.077	29%	0.286	C	S	.	.			trans	-81.6	133.1	179.2	-172.9	0	0	0	0	113.1	E493 D648 K654 K655 R659	E493-S652 WeakPolarHBondContact OE1-CA 3.27Å; E493-S652 PolarHBondContact OE1-OG 3.24Å; D648-S652 WeakPolarHBondContact O-CB 3.46Å; D648-S652 PolarHBondContact O-N 2.98Å; S652-K654 PolarHBondContact O-N 2.74Å; S652-K654 PolarHBondContact OG-N 3.3Å; S652-K655 PolarHBondContact O-N 3.27Å; S652-R659 PolarHBondContact O-NH2 3.46Å
653	K	83.5	Confident	90.5	Very high	139 Å²	139	52.9 Å²	52.9	60%	0.604	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-68	-16.3	171.2	-78.3	177.4	-176.6	169.9	0	113.3	E493 K655 V656	E493-K653 HydrophobicContact CB-CD 4.08Å; E493-K653 HydrophobicContact CB-CG 4.42Å; E493-K653 HydrophobicContact CG-CB 4.34Å; E493-K653 HydrophobicContact CG-CD 4.03Å; E493-K653 HydrophobicContact CG-CG 3.85Å; E493-K653 PolarHBondContact OE1-N 2.9Å; E493-K653 WeakPolarHBondContact OE2-CB 3.21Å; E493-K653 WeakPolarHBondContact OE2-CD 3.39Å; K653-K655 VanDerWaalsContact C-N 3.29Å; K653-V656 VanDerWaalsContact O-CG2 3.27Å; K653-V656 WeakPolarHBondContact O-CG2 3.43Å
654	K	86	Confident	90.2	Very high	193 Å²	193	54.2 Å²	54.2	84%	0.839	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-75.9	-20.4	178.2	-63	-179.8	-176.4	174	0	112.6	S652	S652-K654 PolarHBondContact O-N 2.74Å; S652-K654 PolarHBondContact OG-N 3.3Å
655	K	88	Confident	89.9	Confident	59 Å²	59	55.3 Å²	55.3	26%	0.257	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-104.3	31	-177.4	-66.2	-157.5	170.8	-170.1	0	113.3	L649 S652 K653 E657 D658 R659	L649-K655 HydrophobicContact CB-CD 4.47Å; L649-K655 HydrophobicContact CD1-CB 4.44Å; S652-K655 PolarHBondContact O-N 3.27Å; K653-K655 VanDerWaalsContact C-N 3.29Å; K655-E657 PolarHBondContact O-N 3.22Å; K655-D658 HydrophobicContact CB-CB 4.24Å; K655-D658 WeakPolarHBondContact CD-OD2 3.37Å; K655-D658 WeakPolarHBondContact CG-OD2 3.46Å; K655-R659 VanDerWaalsContact O-CB 3.3Å; K655-R659 WeakPolarHBondContact O-CB 3.27Å; K655-R659 PolarHBondContact O-N 3.17Å
656	V	86	Confident	89.7	Confident	49 Å²	49	54.3 Å²	54.3	30%	0.297	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-43	179.5	168.2	0	0	0	0	111.3	K653 R659 K660	K653-V656 VanDerWaalsContact O-CG2 3.27Å; K653-V656 WeakPolarHBondContact O-CG2 3.43Å; V656-R659 PolarHBondContact O-N 2.81Å; V656-K660 WeakPolarHBondContact O-CG 3.4Å; V656-K660 PolarHBondContact O-N 2.85Å
657	E	86.3	Confident	89.4	Confident	121 Å²	121	54.4 Å²	54.4	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-67.5	-45.1	178.7	-60.8	-54.4	131.6	0	0	111.9	K655 R659 K660 E661	K655-E657 PolarHBondContact O-N 3.22Å; E657-R659 PolarHBondContact O-N 3.02Å; E657-K660 WeakPolarHBondContact O-CB 3.41Å; E657-K660 PolarHBondContact O-N 3.12Å; E657-K660 VanDerWaalsContact O-N 3.08Å; E657-K660 IonicContact OE1-NZ 3.44Å; E657-K660 PolarHBondContact OE1-NZ 3.5Å; E657-K660 IonicContact OE2-NZ 2.62Å; E657-K660 PolarHBondContact OE2-NZ 3.21Å; E657-E661 PolarHBondContact O-N 3.4Å
658	D	89	Confident	89	Confident	78 Å²	78	58.6 Å²	58.6	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-56.5	-40.1	174.1	-53.2	-9.3	0	0	0	111.3	L649 K655 E661 W662	L649-D658 HydrophobicContact CD1-CB 3.49Å; L649-D658 VanDerWaalsContact CD1-CB 3.49Å; K655-D658 HydrophobicContact CB-CB 4.24Å; K655-D658 WeakPolarHBondContact CD-OD2 3.37Å; K655-D658 WeakPolarHBondContact CG-OD2 3.46Å; D658-E661 PolarHBondContact O-N 3.13Å; D658-W662 WeakPolarHBondContact O-CB 3.47Å; D658-W662 PolarHBondContact O-N 2.92Å
659	R	91	Very high	88.7	Confident	33 Å²	33	61.5 Å²	61.5	13%	0.125	30%	0.3	C	S	.	.	H	α-helix	trans	-68.8	-36.4	178.3	-162.3	-174	-49.2	-170.5	3.7	112.3	L649 A650 S652 K655 V656 E657 E661 W662 L663	L649-R659 HydrophobicContact CD1-CB 4.28Å; L649-R659 PolarHBondContact O-NE 2.82Å; L649-R659 VanDerWaalsContact O-NE 3.09Å; L649-R659 PolarHBondContact O-NH2 3.09Å; A650-R659 PolarHBondContact O-NH1 3.26Å; A650-R659 PolarHBondContact O-NH2 2.96Å; S652-R659 PolarHBondContact O-NH2 3.46Å; K655-R659 VanDerWaalsContact O-CB 3.3Å; K655-R659 WeakPolarHBondContact O-CB 3.27Å; K655-R659 PolarHBondContact O-N 3.17Å; V656-R659 PolarHBondContact O-N 2.81Å; E657-R659 PolarHBondContact O-N 3.02Å; R659-E661 VanDerWaalsContact C-N 3.32Å; R659-W662 HydrophobicContact CG-CE3 3.76Å; R659-W662 HydrophobicContact CG-CZ3 4.14Å; R659-W662 PolarHBondContact O-N 3.46Å; R659-L663 HydrophobicContact CG-CD1 4.17Å; R659-L663 WeakPolarHBondContact O-CB 3.5Å; R659-L663 WeakPolarHBondContact O-CD1 3.36Å; R659-L663 VanDerWaalsContact O-CG 3.23Å; R659-L663 WeakPolarHBondContact O-CG 3.25Å; R659-L663 PolarHBondContact O-N 3.2Å
660	K	88.8	Confident	88.2	Confident	45 Å²	45	64.4 Å²	64.4	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-42.9	173.5	-72.3	175.4	-175.8	165.4	0	111	V656 E657 S664 G857 W858	V656-K660 WeakPolarHBondContact O-CG 3.4Å; V656-K660 PolarHBondContact O-N 2.85Å; E657-K660 WeakPolarHBondContact O-CB 3.41Å; E657-K660 PolarHBondContact O-N 3.12Å; E657-K660 VanDerWaalsContact O-N 3.08Å; E657-K660 IonicContact OE1-NZ 3.44Å; E657-K660 PolarHBondContact OE1-NZ 3.5Å; E657-K660 IonicContact OE2-NZ 2.62Å; E657-K660 PolarHBondContact OE2-NZ 3.21Å; K660-S664 VanDerWaalsContact O-CB 3.28Å; K660-S664 WeakPolarHBondContact O-CB 3.39Å; K660-S664 PolarHBondContact O-N 2.89Å; K660-S664 PolarHBondContact O-OG 3Å; K660-G857 WeakPolarHBondContact CE-O 3.27Å; K660-G857 WeakPolarHBondContact CG-O 3.22Å; K660-W858 HydrophobicContact CB-CH2 4.36Å; K660-W858 HydrophobicContact CB-CZ2 3.62Å; K660-W858 HydrophobicContact CD-CD2 4.22Å; K660-W858 HydrophobicContact CD-CE3 4.25Å; K660-W858 HydrophobicContact CD-CH2 4.13Å; K660-W858 HydrophobicContact CD-CZ2 4.06Å; K660-W858 HydrophobicContact CD-CZ3 4.23Å; K660-W858 HydrophobicContact CG-CD2 3.94Å; K660-W858 HydrophobicContact CG-CE3 4.47Å; K660-W858 HydrophobicContact CG-CG 4.37Å; K660-W858 HydrophobicContact CG-CH2 4.37Å; K660-W858 HydrophobicContact CG-CZ2 3.79Å
661	E	89.8	Confident	87.7	Confident	151 Å²	151	66.9 Å²	66.9	71%	0.706	32%	0.318	S	S	*	.	H	α-helix	trans	-65.1	-44.7	177.1	-174	165.3	-162.7	0	0	111.4	E657 D658 R659 L663 S664 G665	E657-E661 PolarHBondContact O-N 3.4Å; D658-E661 PolarHBondContact O-N 3.13Å; R659-E661 VanDerWaalsContact C-N 3.32Å; E661-L663 PolarHBondContact O-N 3.49Å; E661-S664 PolarHBondContact O-N 3.35Å; E661-G665 PolarHBondContact O-N 3.44Å
662	W	91.5	Very high	87.3	Confident	39 Å²	39	73.6 Å²	73.6	15%	0.148	34%	0.343	C	S	.	.	H	α-helix	trans	-55.4	-49.1	174.2	174.4	67.3	0	0	0	112.8	L649 D658 R659 W666 V697 D698 I702	L649-W662 HydrophobicContact CD2-CB 4.27Å; L649-W662 HydrophobicContact CD2-CD2 4.27Å; L649-W662 HydrophobicContact CD2-CG 4.02Å; D658-W662 WeakPolarHBondContact O-CB 3.47Å; D658-W662 PolarHBondContact O-N 2.92Å; R659-W662 HydrophobicContact CG-CE3 3.76Å; R659-W662 HydrophobicContact CG-CZ3 4.14Å; R659-W662 PolarHBondContact O-N 3.46Å; W662-W666 PolarHBondContact O-N 2.89Å; W662-W666 VanDerWaalsContact O-N 3.12Å; W662-V697 HydrophobicContact CH2-CG1 4.12Å; W662-V697 HydrophobicContact CZ2-CG1 3.72Å; W662-V697 WeakPolarHBondContact CZ2-O 3.41Å; W662-D698 PolarHBondContact NE1-OD1 3.48Å; W662-I702 HydrophobicContact CD2-CD1 3.96Å; W662-I702 HydrophobicContact CD2-CG1 4.34Å; W662-I702 VanDerWaalsContact CE2-CD1 3.41Å; W662-I702 HydrophobicContact CE3-CG1 4.47Å; W662-I702 HydrophobicContact CG-CD1 4.45Å; W662-I702 HydrophobicContact CH2-CB 3.67Å; W662-I702 HydrophobicContact CH2-CD1 4.2Å; W662-I702 HydrophobicContact CH2-CG1 3.68Å; W662-I702 HydrophobicContact CZ2-CB 3.49Å; W662-I702 VanDerWaalsContact CZ2-CB 3.49Å; W662-I702 HydrophobicContact CZ2-CD1 3.57Å; W662-I702 HydrophobicContact CZ2-CG1 3.52Å; W662-I702 HydrophobicContact CZ3-CG1 4.16Å
663	L	91	Very high	87	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67.6	-45	179	-67	164.9	0	0	0	112	R659 E661 G665 W666 M667 I702 S705 N706 T856	R659-L663 HydrophobicContact CG-CD1 4.17Å; R659-L663 WeakPolarHBondContact O-CB 3.5Å; R659-L663 WeakPolarHBondContact O-CD1 3.36Å; R659-L663 VanDerWaalsContact O-CG 3.23Å; R659-L663 WeakPolarHBondContact O-CG 3.25Å; R659-L663 PolarHBondContact O-N 3.2Å; E661-L663 PolarHBondContact O-N 3.49Å; L663-G665 VanDerWaalsContact C-N 3.34Å; L663-G665 PolarHBondContact O-N 2.73Å; L663-W666 PolarHBondContact O-N 2.83Å; L663-M667 WeakPolarHBondContact O-CG 3.33Å; L663-M667 PolarHBondContact O-N 3.03Å; L663-I702 HydrophobicContact CD2-CG1 4.09Å; L663-S705 VanDerWaalsContact CD2-CB 3.48Å; L663-N706 VanDerWaalsContact CD2-OD1 3.27Å; L663-N706 WeakPolarHBondContact CD2-OD1 3.44Å; L663-T856 HydrophobicContact CD1-CG2 4.32Å; L663-T856 WeakPolarHBondContact CD1-O 3.13Å
664	S	87.5	Confident	86.5	Confident	30 Å²	30	76.1 Å²	76.1	21%	0.21	35%	0.348	C	S	.	.	H	α-helix	trans	-63.8	-42	180	-54	0	0	0	0	111.3	K660 E661 W666 M667 I668	K660-S664 VanDerWaalsContact O-CB 3.28Å; K660-S664 WeakPolarHBondContact O-CB 3.39Å; K660-S664 PolarHBondContact O-N 2.89Å; K660-S664 PolarHBondContact O-OG 3Å; E661-S664 PolarHBondContact O-N 3.35Å; S664-W666 VanDerWaalsContact C-N 3.32Å; S664-W666 PolarHBondContact O-N 2.72Å; S664-M667 PolarHBondContact O-N 2.96Å; S664-I668 VanDerWaalsContact O-CG1 3.32Å; S664-I668 WeakPolarHBondContact O-CG1 3.5Å; S664-I668 PolarHBondContact O-N 3.37Å
665	G	88.1	Confident	86.1	Confident	42 Å²	42	73.1 Å²	73.1	43%	0.433	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-41.8	175.9	0	0	0	0	0	112	E661 L663 K669	E661-G665 PolarHBondContact O-N 3.44Å; L663-G665 VanDerWaalsContact C-N 3.34Å; L663-G665 PolarHBondContact O-N 2.73Å; G665-K669 WeakPolarHBondContact O-CB 3.41Å; G665-K669 PolarHBondContact O-N 3.07Å
666	W	89	Confident	85.9	Confident	44 Å²	44	75.6 Å²	75.6	17%	0.167	36%	0.357	C	S	.	.	H	α-helix	trans	-66.2	-43.5	174.7	-175.7	95	0	0	0	112.7	W662 L663 S664 I668 K669 R670 I702 L703 N706	W662-W666 PolarHBondContact O-N 2.89Å; W662-W666 VanDerWaalsContact O-N 3.12Å; L663-W666 PolarHBondContact O-N 2.83Å; S664-W666 VanDerWaalsContact C-N 3.32Å; S664-W666 PolarHBondContact O-N 2.72Å; W666-I668 PolarHBondContact O-N 3.43Å; W666-K669 WeakPolarHBondContact O-CB 3.35Å; W666-K669 PolarHBondContact O-N 3.27Å; W666-R670 HydrophobicContact CE3-CB 4.32Å; W666-R670 VanDerWaalsContact CH2-CD 3.47Å; W666-R670 HydrophobicContact CH2-CG 4.42Å; W666-R670 HydrophobicContact CZ3-CB 4.31Å; W666-R670 HydrophobicContact CZ3-CG 4.48Å; W666-R670 WeakPolarHBondContact O-CB 3.32Å; W666-R670 PolarHBondContact O-N 2.85Å; W666-I702 HydrophobicContact CB-CD1 3.47Å; W666-I702 VanDerWaalsContact CB-CD1 3.47Å; W666-I702 HydrophobicContact CB-CG1 4.37Å; W666-I702 HydrophobicContact CD2-CD1 4.33Å; W666-I702 HydrophobicContact CG-CD1 3.49Å; W666-I702 VanDerWaalsContact CG-CD1 3.49Å; W666-I702 HydrophobicContact CG-CG1 4.15Å; W666-L703 HydrophobicContact CH2-CD2 4.02Å; W666-L703 HydrophobicContact CZ2-CD2 3.48Å; W666-L703 VanDerWaalsContact CZ2-CD2 3.48Å; W666-N706 HydrophobicContact CZ3-CB 4.02Å; W666-N706 WeakPolarHBondContact CZ3-ND2 3.49Å
667	M	87.3	Confident	85.4	Confident	10 Å²	10	80.5 Å²	80.5	5%	0.049	38%	0.382	C	S	.	.	H	α-helix	trans	-60.4	-44	177.9	-70.7	177.8	-177.8	0	0	111.8	L663 S664 K669 R670 K671 N706 F1000 L1006	L663-M667 WeakPolarHBondContact O-CG 3.33Å; L663-M667 PolarHBondContact O-N 3.03Å; S664-M667 PolarHBondContact O-N 2.96Å; M667-K669 VanDerWaalsContact C-N 3.34Å; M667-K669 PolarHBondContact O-N 3Å; M667-R670 PolarHBondContact O-N 3.02Å; M667-K671 WeakPolarHBondContact O-CB 3.25Å; M667-K671 PolarHBondContact O-N 3.23Å; M667-N706 HydrophobicContact CE-CB 4.49Å; M667-N706 WeakPolarHBondContact CE-OD1 3.34Å; M667-F1000 HydrophobicContact CE-CE1 3.81Å; M667-F1000 HydrophobicContact CE-CZ 4.21Å; M667-F1000 HydrophobicContact SD-CE1 4.14Å; M667-L1006 HydrophobicContact CE-CD1 3.62Å; M667-L1006 HydrophobicContact CE-CG 3.88Å; M667-L1006 HydrophobicContact SD-CB 4.09Å; M667-L1006 HydrophobicContact SD-CD1 4.09Å; M667-L1006 HydrophobicContact SD-CG 3.88Å
668	I	85.7	Confident	84.9	Confident	87 Å²	87	79 Å²	79	45%	0.446	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-42	176.6	-66.7	168.4	0	0	0	110.7	S664 W666 K671 R672	S664-I668 VanDerWaalsContact O-CG1 3.32Å; S664-I668 WeakPolarHBondContact O-CG1 3.5Å; S664-I668 PolarHBondContact O-N 3.37Å; W666-I668 PolarHBondContact O-N 3.43Å; I668-K671 PolarHBondContact O-N 3Å; I668-R672 PolarHBondContact O-N 2.82Å
669	K	86.1	Confident	83.9	Confident	118 Å²	118	80.2 Å²	80.2	51%	0.513	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-47	176.3	-176.5	-177.3	175.8	-175.7	0	111	G665 W666 M667 K671 R672 Q673	G665-K669 WeakPolarHBondContact O-CB 3.41Å; G665-K669 PolarHBondContact O-N 3.07Å; W666-K669 WeakPolarHBondContact O-CB 3.35Å; W666-K669 PolarHBondContact O-N 3.27Å; M667-K669 VanDerWaalsContact C-N 3.34Å; M667-K669 PolarHBondContact O-N 3Å; K669-K671 PolarHBondContact O-N 3.48Å; K669-R672 PolarHBondContact O-N 3.35Å; K669-Q673 WeakPolarHBondContact O-CG 3.44Å; K669-Q673 PolarHBondContact O-N 3.35Å
670	R	82.5	Confident	82.9	Confident	87 Å²	87	82.2 Å²	82.2	33%	0.328	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-46.5	176.4	-173.6	-174.5	-165	-179.9	3.5	111.5	W666 M667 R672 Q673 R674 E680 E710	W666-R670 HydrophobicContact CE3-CB 4.32Å; W666-R670 VanDerWaalsContact CH2-CD 3.47Å; W666-R670 HydrophobicContact CH2-CG 4.42Å; W666-R670 HydrophobicContact CZ3-CB 4.31Å; W666-R670 HydrophobicContact CZ3-CG 4.48Å; W666-R670 WeakPolarHBondContact O-CB 3.32Å; W666-R670 PolarHBondContact O-N 2.85Å; M667-R670 PolarHBondContact O-N 3.02Å; R670-R672 VanDerWaalsContact C-N 3.33Å; R670-R672 PolarHBondContact O-N 3.42Å; R670-Q673 PolarHBondContact O-N 3.28Å; R670-R674 PolarHBondContact O-N 3.04Å; R670-E680 IonicContact CZ-OE1 3.09Å; R670-E680 IonicContact NE-OE1 2.62Å; R670-E680 PolarHBondContact NE-OE1 3.26Å; R670-E680 IonicContact NH2-OE1 2.71Å; R670-E680 PolarHBondContact NH2-OE1 3.18Å; R670-E680 VanDerWaalsContact NH2-OE1 3.16Å; R670-E710 IonicContact NH1-OE1 2.87Å
671	K	82.8	Confident	82.1	Confident	61 Å²	61	83.4 Å²	83.4	27%	0.265	42%	0.418	S	S	.	.	H	α-helix	trans	-55.4	-47.4	175.7	177.9	174.5	179.1	171.4	0	111.5	M667 I668 K669 R674 L675 E1003	M667-K671 WeakPolarHBondContact O-CB 3.25Å; M667-K671 PolarHBondContact O-N 3.23Å; I668-K671 PolarHBondContact O-N 3Å; K669-K671 PolarHBondContact O-N 3.48Å; K671-R674 PolarHBondContact O-N 2.82Å; K671-L675 HydrophobicContact CG-CD1 4.1Å; K671-L675 VanDerWaalsContact O-CG 3.32Å; K671-L675 WeakPolarHBondContact O-CG 3.35Å; K671-L675 PolarHBondContact O-N 3.4Å; K671-E1003 HydrophobicContact CD-CB 3.91Å; K671-E1003 VanDerWaalsContact CE-CB 3.45Å; K671-E1003 VanDerWaalsContact NZ-CB 3.3Å; K671-E1003 IonicContact NZ-OE2 3.67Å; K671-E1003 PolarHBondContact NZ-OE2 3.49Å
672	R	84	Confident	81.5	Confident	148 Å²	148	80.8 Å²	80.8	56%	0.558	40%	0.402	S	S	*	.	H	α-helix	trans	-62.7	-46.7	176.3	-74.3	-177.9	-178.4	170.8	0.8	112.1	I668 K669 R670 R674 L675 D676	I668-R672 PolarHBondContact O-N 2.82Å; K669-R672 PolarHBondContact O-N 3.35Å; R670-R672 VanDerWaalsContact C-N 3.33Å; R670-R672 PolarHBondContact O-N 3.42Å; R672-R674 VanDerWaalsContact C-N 3.28Å; R672-R674 PolarHBondContact O-N 3.03Å; R672-L675 PolarHBondContact O-N 3.47Å; R672-L675 VanDerWaalsContact O-N 3.16Å; R672-D676 WeakPolarHBondContact O-CB 3.34Å; R672-D676 PolarHBondContact O-N 3.03Å
673	Q	82.3	Confident	81.2	Confident	34 Å²	34	79.8 Å²	79.8	16%	0.159	40%	0.4	C	S	.	.	H	α-helix	trans	-59	-40	178.4	-72.4	178.9	-56.2	0	0	112.2	K669 R670 D676 N677 I678	K669-Q673 WeakPolarHBondContact O-CG 3.44Å; K669-Q673 PolarHBondContact O-N 3.35Å; R670-Q673 PolarHBondContact O-N 3.28Å; Q673-D676 CarbonylContact O-C 3.54Å; Q673-D676 PolarHBondContact O-N 3.23Å; Q673-N677 PolarHBondContact O-N 3.03Å; Q673-I678 HydrophobicContact CB-CB 4.24Å; Q673-I678 HydrophobicContact CG-CB 4.28Å; Q673-I678 HydrophobicContact CG-CG2 4.42Å; Q673-I678 PolarHBondContact O-N 3.38Å
674	R	74.5	Confident	80.8	Confident	169 Å²	169	80.5 Å²	80.5	64%	0.638	40%	0.402	S	S	*	.	H	α-helix	trans	-66.2	-41.7	175.9	-163.5	178.3	-176.9	-172.5	-0.9	112.1	R670 K671 R672 D676 N677 E837	R670-R674 PolarHBondContact O-N 3.04Å; K671-R674 PolarHBondContact O-N 2.82Å; R672-R674 VanDerWaalsContact C-N 3.28Å; R672-R674 PolarHBondContact O-N 3.03Å; R674-D676 VanDerWaalsContact C-N 3.3Å; R674-D676 PolarHBondContact O-N 3.29Å; R674-N677 PolarHBondContact O-N 2.92Å; R674-E837 IonicContact CZ-OE1 3.39Å; R674-E837 VanDerWaalsContact CZ-OE1 3.27Å; R674-E837 IonicContact NH1-OE1 2.7Å; R674-E837 PolarHBondContact NH1-OE1 2.95Å; R674-E837 IonicContact NH2-OE1 2.77Å; R674-E837 PolarHBondContact NH2-OE1 2.86Å
675	L	77.4	Confident	80.4	Confident	131 Å²	131	79.9 Å²	79.9	69%	0.686	40%	0.401	S	S	*	.	H	α-helix	trans	-66.8	-31.7	176.4	-70.7	168.3	0	0	0	112.7	K671 R672	K671-L675 HydrophobicContact CG-CD1 4.1Å; K671-L675 VanDerWaalsContact O-CG 3.32Å; K671-L675 WeakPolarHBondContact O-CG 3.35Å; K671-L675 PolarHBondContact O-N 3.4Å; R672-L675 PolarHBondContact O-N 3.47Å; R672-L675 VanDerWaalsContact O-N 3.16Å
676	D	82.4	Confident	79.9	Confident	110 Å²	110	84.2 Å²	84.2	59%	0.588	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	3.6	-178.8	-64	-28.6	0	0	0	113.6	R672 Q673 R674 I678	R672-D676 WeakPolarHBondContact O-CB 3.34Å; R672-D676 PolarHBondContact O-N 3.03Å; Q673-D676 CarbonylContact O-C 3.54Å; Q673-D676 PolarHBondContact O-N 3.23Å; R674-D676 VanDerWaalsContact C-N 3.3Å; R674-D676 PolarHBondContact O-N 3.29Å; D676-I678 VanDerWaalsContact C-N 3.26Å; D676-I678 HydrophobicContact CB-CD1 3.77Å; D676-I678 HydrophobicContact CB-CG1 3.86Å; D676-I678 PolarHBondContact O-N 3.16Å
677	N	76.5	Confident	79.6	Confident	153 Å²	153	89 Å²	89	82%	0.818	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.6	-173.6	-75.9	-29.2	0	0	0	114.3	Q673 R674	Q673-N677 PolarHBondContact O-N 3.03Å; R674-N677 PolarHBondContact O-N 2.92Å
678	I	76.5	Confident	79.6	Confident	88 Å²	88	89.8 Å²	89.8	45%	0.451	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-92.2	129.2	176.7	-58.8	171.7	0	0	0	109.2	Q673 D676	Q673-I678 HydrophobicContact CB-CB 4.24Å; Q673-I678 HydrophobicContact CG-CB 4.28Å; Q673-I678 HydrophobicContact CG-CG2 4.42Å; Q673-I678 PolarHBondContact O-N 3.38Å; D676-I678 VanDerWaalsContact C-N 3.26Å; D676-I678 HydrophobicContact CB-CD1 3.77Å; D676-I678 HydrophobicContact CB-CG1 3.86Å; D676-I678 PolarHBondContact O-N 3.16Å
679	P	68.2	Low	79.7	Confident	104 Å²	104	88.7 Å²	88.7	68%	0.675	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-58.6	143.3	177.3	-22.1	31.1	0	0	0	113
680	E	69.2	Low	80	Confident	75 Å²	75	85.6 Å²	85.6	35%	0.35	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-66.7	142.5	173.9	-74.4	-176.6	-177.8	0	0	111.1	R670	R670-E680 IonicContact CZ-OE1 3.09Å; R670-E680 IonicContact NE-OE1 2.62Å; R670-E680 PolarHBondContact NE-OE1 3.26Å; R670-E680 IonicContact NH2-OE1 2.71Å; R670-E680 PolarHBondContact NH2-OE1 3.18Å; R670-E680 VanDerWaalsContact NH2-OE1 3.16Å
681	A	72.6	Confident	80.6	Confident	71 Å²	71	81.8 Å²	81.8	59%	0.587	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-76.1	131.5	174.9	0	0	0	0	0	109.9
682	Y	77.1	Confident	81.1	Confident	95 Å²	95	79.2 Å²	79.2	37%	0.373	41%	0.407	S	S	.	.			trans	-123.9	154.6	-178.6	58.2	-81.1	0	0	0	111.4	S589 P591 Y684	S589-Y682 WeakPolarHBondContact OG-CD2 3.21Å; S589-Y682 WeakPolarHBondContact OG-CE2 3.23Å; P591-Y682 HydrophobicContact CB-CD1 3.58Å; P591-Y682 HydrophobicContact CB-CE1 3.61Å; P591-Y682 HydrophobicContact CB-CG 4.27Å; P591-Y682 HydrophobicContact CG-CD1 3.63Å; P591-Y682 HydrophobicContact CG-CE1 4.21Å; P591-Y682 HydrophobicContact CG-CG 4.04Å; Y682-Y684 WeakPolarHBondContact CD2-O 3.13Å; Y682-Y684 WeakPolarHBondContact CE2-O 3.34Å
683	L	84.2	Confident	81.7	Confident	19 Å²	19	72.2 Å²	72.2	10%	0.099	38%	0.381	C	S	.	.	S	Bend	trans	-80.6	-41.1	-172.1	-170.8	63.1	0	0	0	113.1	T688 V691 D695 K699 E700	L683-T688 PolarHBondContact O-OG1 3.49Å; L683-V691 HydrophobicContact CD1-CG1 3.54Å; L683-V691 HydrophobicContact CD2-CG1 4.08Å; L683-V691 HydrophobicContact CG-CG1 3.75Å; L683-D695 HydrophobicContact CD1-CB 3.76Å; L683-K699 HydrophobicContact CB-CB 4.18Å; L683-K699 HydrophobicContact CD1-CB 4.13Å; L683-K699 HydrophobicContact CD1-CD 3.82Å; L683-E700 HydrophobicContact CD2-CB 3.88Å; L683-E700 VanDerWaalsContact CD2-OE2 3.3Å; L683-E700 WeakPolarHBondContact CD2-OE2 3.2Å
684	Y	84	Confident	82.3	Confident	14 Å²	14	73.8 Å²	73.8	6%	0.055	39%	0.387	C	S	.	.			trans	-100.6	96.3	-173	-57.4	-65.8	0	0	0	112.2	E570 I572 I634 Y682 T688 E700	E570-Y684 VanDerWaalsContact CD-OH 3.32Å; E570-Y684 PolarHBondContact OE1-OH 2.86Å; E570-Y684 VanDerWaalsContact OE1-OH 3.11Å; E570-Y684 PolarHBondContact OE2-OH 3.43Å; I572-Y684 HydrophobicContact CD1-CD1 4.27Å; I572-Y684 HydrophobicContact CG2-CD1 4.39Å; I572-Y684 HydrophobicContact CG2-CE1 4.02Å; I572-Y684 HydrophobicContact CG2-CE2 4.47Å; I634-Y684 HydrophobicContact CG1-CD1 4.45Å; I634-Y684 HydrophobicContact CG1-CE1 4.21Å; I634-Y684 HydrophobicContact CG2-CE1 4.35Å; Y682-Y684 WeakPolarHBondContact CD2-O 3.13Å; Y682-Y684 WeakPolarHBondContact CE2-O 3.34Å; Y684-T688 HydrophobicContact CD1-CG2 4.18Å; Y684-E700 VanDerWaalsContact CE2-OE2 3.3Å; Y684-E700 WeakPolarHBondContact CE2-OE2 3.4Å; Y684-E700 VanDerWaalsContact CZ-OE2 3.31Å; Y684-E700 PolarHBondContact OH-OE2 2.82Å
685	G	78.9	Confident	83.2	Confident	18 Å²	18	68.1 Å²	68.1	19%	0.186	37%	0.369	C	S	.	.			trans	-86.8	175.3	167.5	0	0	0	0	0	113	N687 T688	G685-N687 PolarHBondContact O-N 3.44Å; G685-N687 VanDerWaalsContact O-N 3.11Å; G685-T688 PolarHBondContact N-OG1 2.67Å; G685-T688 PolarHBondContact O-N 2.98Å; G685-T688 PolarHBondContact O-OG1 3.47Å
686	K	77	Confident	84	Confident	132 Å²	132	61.9 Å²	61.9	57%	0.574	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.8	177.4	-75.6	175.9	179.8	167.6	0	113.5	E592	E592-K686 WeakPolarHBondContact OE1-CE 3.37Å; E592-K686 WeakPolarHBondContact OE1-CG 3.27Å
687	N	82.2	Confident	84.6	Confident	146 Å²	146	56.6 Å²	56.6	78%	0.781	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	9.3	-173.3	-63	-21.6	0	0	0	114	G685 K689	G685-N687 PolarHBondContact O-N 3.44Å; G685-N687 VanDerWaalsContact O-N 3.11Å; N687-K689 PolarHBondContact O-N 3.44Å
688	T	87.6	Confident	85.4	Confident	26 Å²	26	51.3 Å²	51.3	16%	0.16	28%	0.28	C	S	.	.			trans	-67.2	124.9	-179.4	-56.7	0	0	0	0	110.3	I634 L683 Y684 G685 V691	I634-T688 HydrophobicContact CD1-CG2 4.35Å; I634-T688 WeakPolarHBondContact CD1-O 3.25Å; L683-T688 PolarHBondContact O-OG1 3.49Å; Y684-T688 HydrophobicContact CD1-CG2 4.18Å; G685-T688 PolarHBondContact N-OG1 2.67Å; G685-T688 PolarHBondContact O-N 2.98Å; G685-T688 PolarHBondContact O-OG1 3.47Å; T688-V691 HydrophobicContact CG2-CG1 4.16Å
689	K	88.7	Confident	86	Confident	63 Å²	63	50.7 Å²	50.7	27%	0.274	27%	0.274	S	S	.	.			trans	-125.4	-24.2	176.7	-61.6	-61.4	178.2	-170.7	0	113.5	Y630 R635 N687	Y630-K689 HydrophobicContact CE1-CD 4.31Å; Y630-K689 PolarHBondContact O-NZ 3.39Å; R635-K689 PolarHBondContact N-O 2.87Å; R635-K689 VanDerWaalsContact N-O 3.1Å; N687-K689 PolarHBondContact O-N 3.44Å
690	A	92.5	Very high	87.1	Confident	53 Å²	53	46.2 Å²	46.2	44%	0.438	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.3	175.8	0	0	0	0	0	110.1	R635	R635-A690 HydrophobicContact CB-CB 4.44Å; R635-A690 CarbonylContact O-C 3.58Å; R635-A690 WeakPolarHBondContact O-CA 3.37Å
691	V	93.7	Very high	88.2	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.8	177.7	-92.5	0	0	0	0	110	I634 R635 F636 H637 L683 T688	I634-V691 HydrophobicContact CG2-CG2 3.46Å; I634-V691 VanDerWaalsContact CG2-CG2 3.46Å; R635-V691 PolarHBondContact O-N 3.21Å; F636-V691 WeakPolarHBondContact CA-O 3.41Å; F636-V691 HydrophobicContact CD1-CG2 4.07Å; F636-V691 HydrophobicContact CE1-CG2 4.01Å; H637-V691 PolarHBondContact N-O 2.99Å; H637-V691 VanDerWaalsContact ND1-C 3.3Å; H637-V691 PolarHBondContact ND1-O 3.33Å; H637-V691 VanDerWaalsContact ND1-O 3.11Å; L683-V691 HydrophobicContact CD1-CG1 3.54Å; L683-V691 HydrophobicContact CD2-CG1 4.08Å; L683-V691 HydrophobicContact CG-CG1 3.75Å; T688-V691 HydrophobicContact CG2-CG1 4.16Å
692	S	94.8	Very high	89.1	Confident	7 Å²	7	39.6 Å²	39.6	5%	0.049	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	157.3	169.4	65.2	0	0	0	0	110.2	H637 K694 D695 F696	H637-S692 PolarHBondContact ND1-N 2.85Å; H637-S692 WeakPolarHBondContact O-CA 3.31Å; S692-K694 VanDerWaalsContact C-N 3.27Å; S692-K694 PolarHBondContact O-N 2.86Å; S692-D695 PolarHBondContact O-N 3.25Å; S692-D695 WeakPolarHBondContact OG-CB 3.38Å; S692-D695 PolarHBondContact OG-N 2.65Å; S692-D695 PolarHBondContact OG-OD2 3.5Å; S692-F696 PolarHBondContact O-N 2.88Å
693	F	95.6	Very high	89.7	Confident	2 Å²	2	38 Å²	38	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-34.9	174.5	-62.8	-80.9	0	0	0	111.3	I552 I563 L568 F636 Y638 D643 L647 F696 V697	I552-F693 HydrophobicContact CD1-CD1 4.46Å; I552-F693 HydrophobicContact CG1-CE1 4.47Å; I552-F693 HydrophobicContact CG2-CD1 3.64Å; I552-F693 HydrophobicContact CG2-CE1 3.81Å; I563-F693 HydrophobicContact CB-CZ 4.45Å; I563-F693 HydrophobicContact CG2-CD1 4.38Å; I563-F693 HydrophobicContact CG2-CD2 3.82Å; I563-F693 HydrophobicContact CG2-CE1 3.91Å; I563-F693 HydrophobicContact CG2-CE2 3.29Å; I563-F693 HydrophobicContact CG2-CG 4.34Å; I563-F693 HydrophobicContact CG2-CZ 3.35Å; L568-F693 HydrophobicContact CD1-CE1 4.37Å; F636-F693 HydrophobicContact CB-CD1 4.4Å; F636-F693 HydrophobicContact CB-CE1 3.61Å; F636-F693 HydrophobicContact CB-CE2 4.09Å; F636-F693 HydrophobicContact CB-CZ 3.41Å; F636-F693 VanDerWaalsContact CB-CZ 3.41Å; F636-F693 HydrophobicContact CD1-CD1 4.03Å; F636-F693 AromaticContact CD1-CE1 3.93Å; F636-F693 HydrophobicContact CD1-CE1 3.93Å; F636-F693 HydrophobicContact CG-CD1 4.37Å; F636-F693 AromaticContact CG-CE1 3.79Å; F636-F693 HydrophobicContact CG-CE1 3.79Å; F636-F693 HydrophobicContact CG-CZ 4.13Å; Y638-F693 HydrophobicContact CD2-CD2 4.42Å; D643-F693 HydrophobicContact CB-CB 3.87Å; D643-F693 HydrophobicContact CB-CD2 4.24Å; D643-F693 PolarHBondContact OD1-N 2.88Å; L647-F693 HydrophobicContact CD1-CB 4.19Å; L647-F693 HydrophobicContact CD1-CD1 4.35Å; L647-F693 HydrophobicContact CD1-CG 4.31Å; L647-F693 HydrophobicContact CG-CB 4.35Å; F693-F696 PolarHBondContact O-N 2.83Å; F693-V697 WeakPolarHBondContact O-CG2 3.4Å; F693-V697 PolarHBondContact O-N 3.05Å
694	K	94.9	Very high	90.1	Very high	67 Å²	67	37.4 Å²	37.4	29%	0.291	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-49	172.8	-177	-172.6	-174.3	-52.3	0	112	E642 D643 A646 S692 F696 V697 D698	E642-K694 HydrophobicContact CB-CD 4.19Å; D643-K694 WeakPolarHBondContact OD1-CB 3.48Å; D643-K694 PolarHBondContact OD1-N 3.15Å; A646-K694 HydrophobicContact CB-CB 4.21Å; A646-K694 HydrophobicContact CB-CG 4.23Å; S692-K694 VanDerWaalsContact C-N 3.27Å; S692-K694 PolarHBondContact O-N 2.86Å; K694-F696 VanDerWaalsContact C-N 3.31Å; K694-F696 PolarHBondContact O-N 2.95Å; K694-V697 PolarHBondContact O-N 2.97Å; K694-D698 IonicContact NZ-OD2 3.6Å; K694-D698 PolarHBondContact NZ-OD2 3.01Å; K694-D698 WeakPolarHBondContact O-CB 3.37Å; K694-D698 PolarHBondContact O-N 3.19Å
695	D	93.8	Very high	90.4	Very high	49 Å²	49	37 Å²	37	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-40.5	178.3	-77.7	-50	0	0	0	111.6	L683 S692 V697 D698 K699	L683-D695 HydrophobicContact CD1-CB 3.76Å; S692-D695 PolarHBondContact O-N 3.25Å; S692-D695 WeakPolarHBondContact OG-CB 3.38Å; S692-D695 PolarHBondContact OG-N 2.65Å; S692-D695 PolarHBondContact OG-OD2 3.5Å; D695-V697 VanDerWaalsContact C-N 3.35Å; D695-V697 PolarHBondContact O-N 3.24Å; D695-D698 PolarHBondContact O-N 3Å; D695-K699 HydrophobicContact CB-CD 4.3Å; D695-K699 WeakPolarHBondContact O-CB 3.41Å; D695-K699 PolarHBondContact O-N 3.44Å; D695-K699 WeakPolarHBondContact OD1-CE 3.35Å; D695-K699 IonicContact OD1-NZ 3.2Å; D695-K699 PolarHBondContact OD1-NZ 2.88Å
696	F	94.7	Very high	90.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-47.5	173	167.7	-98.4	0	0	0	111.5	S545 K548 I552 F636 S692 F693 K694 E700 L701	S545-F696 WeakPolarHBondContact O-CZ 3.33Å; K548-F696 HydrophobicContact CB-CE2 3.93Å; K548-F696 HydrophobicContact CB-CZ 3.75Å; K548-F696 HydrophobicContact CD-CE2 4.16Å; I552-F696 HydrophobicContact CD1-CD1 3.91Å; I552-F696 HydrophobicContact CD1-CE1 3.74Å; I552-F696 HydrophobicContact CD1-CG 4.45Å; I552-F696 HydrophobicContact CD1-CZ 4.13Å; F636-F696 HydrophobicContact CE1-CB 4.01Å; F636-F696 HydrophobicContact CE1-CD2 4.18Å; F636-F696 HydrophobicContact CE1-CG 4.05Å; F636-F696 HydrophobicContact CZ-CD2 4.4Å; S692-F696 PolarHBondContact O-N 2.88Å; F693-F696 PolarHBondContact O-N 2.83Å; K694-F696 VanDerWaalsContact C-N 3.31Å; K694-F696 PolarHBondContact O-N 2.95Å; F696-E700 HydrophobicContact CD2-CB 4.13Å; F696-E700 HydrophobicContact CD2-CG 4.4Å; F696-E700 WeakPolarHBondContact CD2-OE2 3.39Å; F696-E700 HydrophobicContact CE2-CB 4.33Å; F696-E700 HydrophobicContact CE2-CG 4.18Å; F696-E700 WeakPolarHBondContact O-CA 3.34Å; F696-E700 WeakPolarHBondContact O-CB 3.33Å; F696-E700 PolarHBondContact O-N 3.09Å; F696-L701 HydrophobicContact CE1-CB 4.16Å; F696-L701 HydrophobicContact CE1-CD2 4.35Å; F696-L701 HydrophobicContact CZ-CB 4.38Å; F696-L701 HydrophobicContact CZ-CD1 4.49Å; F696-L701 PolarHBondContact O-N 3.03Å
697	V	94.4	Very high	91.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-62.2	-52.5	178.1	171.3	0	0	0	0	111	A646 L647 A650 W662 F693 K694 D695 K699 L701 I702	A646-V697 HydrophobicContact CB-CB 4.22Å; A646-V697 HydrophobicContact CB-CG1 4.33Å; A646-V697 HydrophobicContact CB-CG2 4.3Å; L647-V697 HydrophobicContact CD2-CG2 4.04Å; A650-V697 HydrophobicContact CB-CG1 4.11Å; A650-V697 HydrophobicContact CB-CG2 4.39Å; W662-V697 HydrophobicContact CH2-CG1 4.12Å; W662-V697 HydrophobicContact CZ2-CG1 3.72Å; W662-V697 WeakPolarHBondContact CZ2-O 3.41Å; F693-V697 WeakPolarHBondContact O-CG2 3.4Å; F693-V697 PolarHBondContact O-N 3.05Å; K694-V697 PolarHBondContact O-N 2.97Å; D695-V697 VanDerWaalsContact C-N 3.35Å; D695-V697 PolarHBondContact O-N 3.24Å; V697-K699 PolarHBondContact O-N 3.24Å; V697-L701 HydrophobicContact CG2-CD2 4.21Å; V697-I702 PolarHBondContact O-N 2.81Å
698	D	92.3	Very high	91.9	Very high	41 Å²	41	25.1 Å²	25.1	22%	0.219	13%	0.133	C	C	.	.	I	π-helix	trans	-78.1	-16.5	-170.9	-75.2	-25.9	0	0	0	115	W662 K694 D695 I702	W662-D698 PolarHBondContact NE1-OD1 3.48Å; K694-D698 IonicContact NZ-OD2 3.6Å; K694-D698 PolarHBondContact NZ-OD2 3.01Å; K694-D698 WeakPolarHBondContact O-CB 3.37Å; K694-D698 PolarHBondContact O-N 3.19Å; D695-D698 PolarHBondContact O-N 3Å; D698-I702 VanDerWaalsContact O-CG2 3.26Å; D698-I702 WeakPolarHBondContact O-CG2 3.36Å
699	K	89.6	Confident	92.1	Very high	75 Å²	75	23.9 Å²	23.9	33%	0.326	13%	0.125	S	C	.	.	I	π-helix	trans	-121.2	-23.3	-176.1	-60.5	169.9	174.7	159.9	0	114.3	L683 D695 V697 L703	L683-K699 HydrophobicContact CB-CB 4.18Å; L683-K699 HydrophobicContact CD1-CB 4.13Å; L683-K699 HydrophobicContact CD1-CD 3.82Å; D695-K699 HydrophobicContact CB-CD 4.3Å; D695-K699 WeakPolarHBondContact O-CB 3.41Å; D695-K699 PolarHBondContact O-N 3.44Å; D695-K699 WeakPolarHBondContact OD1-CE 3.35Å; D695-K699 IonicContact OD1-NZ 3.2Å; D695-K699 PolarHBondContact OD1-NZ 2.88Å; V697-K699 PolarHBondContact O-N 3.24Å; K699-L703 WeakPolarHBondContact O-CD1 3.45Å
700	E	90.7	Very high	92.2	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.051	13%	0.129	C	C	.	.	I	π-helix	trans	-116.8	-54.5	-180	-175	174.8	175.9	0	0	111.7	S545 K548 L683 Y684 F696 I702 L703	S545-E700 WeakPolarHBondContact OG-CG 3.4Å; S545-E700 PolarHBondContact OG-OE1 2.99Å; K548-E700 IonicContact NZ-OE1 3.56Å; K548-E700 PolarHBondContact NZ-OE1 3.24Å; L683-E700 HydrophobicContact CD2-CB 3.88Å; L683-E700 VanDerWaalsContact CD2-OE2 3.3Å; L683-E700 WeakPolarHBondContact CD2-OE2 3.2Å; Y684-E700 VanDerWaalsContact CE2-OE2 3.3Å; Y684-E700 WeakPolarHBondContact CE2-OE2 3.4Å; Y684-E700 VanDerWaalsContact CZ-OE2 3.31Å; Y684-E700 PolarHBondContact OH-OE2 2.82Å; F696-E700 HydrophobicContact CD2-CB 4.13Å; F696-E700 HydrophobicContact CD2-CG 4.4Å; F696-E700 WeakPolarHBondContact CD2-OE2 3.39Å; F696-E700 HydrophobicContact CE2-CB 4.33Å; F696-E700 HydrophobicContact CE2-CG 4.18Å; F696-E700 WeakPolarHBondContact O-CA 3.34Å; F696-E700 WeakPolarHBondContact O-CB 3.33Å; F696-E700 PolarHBondContact O-N 3.09Å; E700-I702 PolarHBondContact O-N 3.48Å; E700-L703 VanDerWaalsContact O-CB 3.3Å; E700-L703 WeakPolarHBondContact O-CB 3.25Å; E700-L703 PolarHBondContact O-N 3.23Å
701	L	92.6	Very high	92.1	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	12%	0.122	C	C	.	.	I	π-helix	trans	-65.5	-27.6	-179.3	-168.3	65.6	0	0	0	112.9	A650 F651 F696 V697 L703 F704 S705	A650-L701 HydrophobicContact CB-CD2 3.67Å; F651-L701 HydrophobicContact CE1-CD2 4.49Å; F651-L701 HydrophobicContact CE2-CD2 3.88Å; F651-L701 HydrophobicContact CZ-CD1 4.48Å; F651-L701 HydrophobicContact CZ-CD2 3.57Å; F696-L701 HydrophobicContact CE1-CB 4.16Å; F696-L701 HydrophobicContact CE1-CD2 4.35Å; F696-L701 HydrophobicContact CZ-CB 4.38Å; F696-L701 HydrophobicContact CZ-CD1 4.49Å; F696-L701 PolarHBondContact O-N 3.03Å; V697-L701 HydrophobicContact CG2-CD2 4.21Å; L701-L703 VanDerWaalsContact C-N 3.26Å; L701-L703 PolarHBondContact O-N 3.5Å; L701-F704 HydrophobicContact CD1-CD1 4.31Å; L701-F704 WeakPolarHBondContact O-CB 3.32Å; L701-F704 PolarHBondContact O-N 3.08Å; L701-S705 PolarHBondContact O-N 3.2Å; L701-S705 PolarHBondContact O-OG 3.41Å
702	I	92.2	Very high	92.1	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-34	173.5	-157.4	164.8	0	0	0	112.1	W662 L663 W666 V697 D698 E700 S705 N706	W662-I702 HydrophobicContact CD2-CD1 3.96Å; W662-I702 HydrophobicContact CD2-CG1 4.34Å; W662-I702 VanDerWaalsContact CE2-CD1 3.41Å; W662-I702 HydrophobicContact CE3-CG1 4.47Å; W662-I702 HydrophobicContact CG-CD1 4.45Å; W662-I702 HydrophobicContact CH2-CB 3.67Å; W662-I702 HydrophobicContact CH2-CD1 4.2Å; W662-I702 HydrophobicContact CH2-CG1 3.68Å; W662-I702 HydrophobicContact CZ2-CB 3.49Å; W662-I702 VanDerWaalsContact CZ2-CB 3.49Å; W662-I702 HydrophobicContact CZ2-CD1 3.57Å; W662-I702 HydrophobicContact CZ2-CG1 3.52Å; W662-I702 HydrophobicContact CZ3-CG1 4.16Å; L663-I702 HydrophobicContact CD2-CG1 4.09Å; W666-I702 HydrophobicContact CB-CD1 3.47Å; W666-I702 VanDerWaalsContact CB-CD1 3.47Å; W666-I702 HydrophobicContact CB-CG1 4.37Å; W666-I702 HydrophobicContact CD2-CD1 4.33Å; W666-I702 HydrophobicContact CG-CD1 3.49Å; W666-I702 VanDerWaalsContact CG-CD1 3.49Å; W666-I702 HydrophobicContact CG-CG1 4.15Å; V697-I702 PolarHBondContact O-N 2.81Å; D698-I702 VanDerWaalsContact O-CG2 3.26Å; D698-I702 WeakPolarHBondContact O-CG2 3.36Å; E700-I702 PolarHBondContact O-N 3.48Å; I702-S705 PolarHBondContact O-N 3.02Å; I702-N706 PolarHBondContact O-N 3.29Å; I702-N706 PolarHBondContact O-ND2 3.16Å; I702-N706 VanDerWaalsContact O-ND2 3.11Å
703	L	90	Very high	92.1	Very high	62 Å²	62	26.1 Å²	26.1	33%	0.325	13%	0.125	S	C	.	.	H	α-helix	trans	-66.3	-42.7	178.7	-56.1	177.6	0	0	0	110	Q542 W666 K699 E700 L701 N706 M707	Q542-L703 HydrophobicContact CG-CB 4.49Å; W666-L703 HydrophobicContact CH2-CD2 4.02Å; W666-L703 HydrophobicContact CZ2-CD2 3.48Å; W666-L703 VanDerWaalsContact CZ2-CD2 3.48Å; K699-L703 WeakPolarHBondContact O-CD1 3.45Å; E700-L703 VanDerWaalsContact O-CB 3.3Å; E700-L703 WeakPolarHBondContact O-CB 3.25Å; E700-L703 PolarHBondContact O-N 3.23Å; L701-L703 VanDerWaalsContact C-N 3.26Å; L701-L703 PolarHBondContact O-N 3.5Å; L703-N706 PolarHBondContact O-N 2.86Å; L703-M707 WeakPolarHBondContact O-CB 3.4Å; L703-M707 PolarHBondContact O-N 3.35Å
704	F	91	Very high	92.1	Very high	6 Å²	6	26 Å²	26	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-49.7	170.1	167.2	-101.2	0	0	0	111.9	Q542 H546 L701 N706 M707 D708	Q542-F704 HydrophobicContact CB-CB 4.33Å; Q542-F704 WeakPolarHBondContact O-CB 3.34Å; Q542-F704 WeakPolarHBondContact O-CD2 3.13Å; H546-F704 HydrophobicContact CB-CD1 3.66Å; H546-F704 HydrophobicContact CB-CD2 3.61Å; H546-F704 HydrophobicContact CB-CE1 3.64Å; H546-F704 HydrophobicContact CB-CE2 3.58Å; H546-F704 HydrophobicContact CB-CG 3.65Å; H546-F704 HydrophobicContact CB-CZ 3.61Å; H546-F704 AromaticContact CD2-CD1 3.96Å; H546-F704 AromaticContact CD2-CE1 3.44Å; H546-F704 VanDerWaalsContact CD2-CE1 3.44Å; H546-F704 WeakPolarHBondContact CD2-CE1 3.41Å; H546-F704 AromaticContact CD2-CZ 3.9Å; H546-F704 AromaticContact CE1-CE1 3.94Å; H546-F704 AromaticContact CE1-CZ 3.75Å; H546-F704 AromaticContact CG-CD1 3.82Å; H546-F704 AromaticContact CG-CE1 3.32Å; H546-F704 AromaticContact CG-CE2 3.84Å; H546-F704 AromaticContact CG-CZ 3.34Å; H546-F704 AromaticContact ND1-CE1 3.66Å; H546-F704 AromaticContact ND1-CE2 3.84Å; H546-F704 AromaticContact ND1-CZ 3.25Å; H546-F704 WeakPolarHBondContact ND1-CZ 3.35Å; H546-F704 AromaticContact NE2-CE1 3.86Å; L701-F704 HydrophobicContact CD1-CD1 4.31Å; L701-F704 WeakPolarHBondContact O-CB 3.32Å; L701-F704 PolarHBondContact O-N 3.08Å; F704-N706 VanDerWaalsContact C-N 3.26Å; F704-N706 PolarHBondContact O-N 3.22Å; F704-M707 HydrophobicContact CD2-CE 3.69Å; F704-M707 HydrophobicContact CE2-CE 4.11Å; F704-M707 PolarHBondContact O-N 2.87Å; F704-D708 HydrophobicContact CE1-CB 4.45Å; F704-D708 HydrophobicContact CE2-CB 4.35Å; F704-D708 HydrophobicContact CZ-CB 4.13Å; F704-D708 WeakPolarHBondContact O-CB 3.41Å; F704-D708 PolarHBondContact O-N 2.78Å
705	S	91.5	Very high	92.1	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-37.5	-176.2	-58.9	0	0	0	0	112	L663 L701 I702 N709	L663-S705 VanDerWaalsContact CD2-CB 3.48Å; L701-S705 PolarHBondContact O-N 3.2Å; L701-S705 PolarHBondContact O-OG 3.41Å; I702-S705 PolarHBondContact O-N 3.02Å; S705-N709 PolarHBondContact O-N 3.08Å; S705-N709 PolarHBondContact O-ND2 3.38Å; S705-N709 VanDerWaalsContact O-ND2 3.08Å
706	N	90.1	Very high	92.2	Very high	2 Å²	2	21 Å²	21	1%	0.011	10%	0.102	C	C	.	.	H	α-helix	trans	-74.2	-43.4	175.7	-71.5	-40.3	0	0	0	112.5	L663 W666 M667 I702 L703 F704 D708 N709 E710	L663-N706 VanDerWaalsContact CD2-OD1 3.27Å; L663-N706 WeakPolarHBondContact CD2-OD1 3.44Å; W666-N706 HydrophobicContact CZ3-CB 4.02Å; W666-N706 WeakPolarHBondContact CZ3-ND2 3.49Å; M667-N706 HydrophobicContact CE-CB 4.49Å; M667-N706 WeakPolarHBondContact CE-OD1 3.34Å; I702-N706 PolarHBondContact O-N 3.29Å; I702-N706 PolarHBondContact O-ND2 3.16Å; I702-N706 VanDerWaalsContact O-ND2 3.11Å; L703-N706 PolarHBondContact O-N 2.86Å; F704-N706 VanDerWaalsContact C-N 3.26Å; F704-N706 PolarHBondContact O-N 3.22Å; N706-D708 VanDerWaalsContact C-N 3.26Å; N706-D708 PolarHBondContact O-N 3.27Å; N706-N709 CarbonylContact O-C 3.35Å; N706-N709 WeakPolarHBondContact O-CA 3.32Å; N706-N709 WeakPolarHBondContact O-CB 3.34Å; N706-N709 PolarHBondContact O-N 3.48Å; N706-N709 VanDerWaalsContact O-N 3.15Å; N706-E710 WeakPolarHBondContact O-CG 3.43Å; N706-E710 PolarHBondContact O-N 3.34Å
707	M	88.7	Confident	92.3	Very high	7 Å²	7	21 Å²	21	3%	0.034	10%	0.102	C	C	.	.	H	α-helix	trans	-59	-40.9	173.1	167	-84.7	-77.2	0	0	111.2	Q542 L703 F704 N709 E710 R711	Q542-M707 HydrophobicContact CB-CE 3.34Å; Q542-M707 HydrophobicContact CG-CE 4.36Å; Q542-M707 VanDerWaalsContact OE1-CB 3.31Å; L703-M707 WeakPolarHBondContact O-CB 3.4Å; L703-M707 PolarHBondContact O-N 3.35Å; F704-M707 HydrophobicContact CD2-CE 3.69Å; F704-M707 HydrophobicContact CE2-CE 4.11Å; F704-M707 PolarHBondContact O-N 2.87Å; M707-N709 VanDerWaalsContact C-N 3.27Å; M707-N709 PolarHBondContact O-N 2.95Å; M707-E710 CarbonylContact O-C 3.6Å; M707-E710 PolarHBondContact O-N 3.17Å; M707-E710 VanDerWaalsContact O-N 3.11Å; M707-R711 VanDerWaalsContact CE-CZ 3.41Å; M707-R711 VanDerWaalsContact CE-NH1 3.33Å; M707-R711 HydrophobicContact CG-CG 4.11Å; M707-R711 WeakPolarHBondContact O-CB 3.48Å; M707-R711 WeakPolarHBondContact O-CG 3.37Å; M707-R711 PolarHBondContact O-N 2.94Å; M707-R711 WeakPolarHBondContact SD-CD 3.47Å; M707-R711 HydrophobicContact SD-CG 3.88Å; M707-R711 PolarHBondContact SD-NE 2.78Å; M707-R711 PolarHBondContact SD-NH1 3.15Å
708	D	90.6	Very high	92.4	Very high	37 Å²	37	21 Å²	21	20%	0.198	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-37.6	178.9	179.5	55.4	0	0	0	110.8	F704 N706 S712 T856	F704-D708 HydrophobicContact CE1-CB 4.45Å; F704-D708 HydrophobicContact CE2-CB 4.35Å; F704-D708 HydrophobicContact CZ-CB 4.13Å; F704-D708 WeakPolarHBondContact O-CB 3.41Å; F704-D708 PolarHBondContact O-N 2.78Å; N706-D708 VanDerWaalsContact C-N 3.26Å; N706-D708 PolarHBondContact O-N 3.27Å; D708-S712 WeakPolarHBondContact O-CB 3.29Å; D708-S712 PolarHBondContact O-N 3.34Å; D708-S712 VanDerWaalsContact O-N 3.08Å; D708-S712 PolarHBondContact O-OG 3.08Å; D708-T856 PolarHBondContact OD2-N 3.22Å; D708-T856 PolarHBondContact OD2-OG1 3.1Å
709	N	92.4	Very high	92.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-48.3	169	-74.1	-40.9	0	0	0	112	S705 N706 M707 R711 S712 I713 G855 T856 F1000 L1006	S705-N709 PolarHBondContact O-N 3.08Å; S705-N709 PolarHBondContact O-ND2 3.38Å; S705-N709 VanDerWaalsContact O-ND2 3.08Å; N706-N709 CarbonylContact O-C 3.35Å; N706-N709 WeakPolarHBondContact O-CA 3.32Å; N706-N709 WeakPolarHBondContact O-CB 3.34Å; N706-N709 PolarHBondContact O-N 3.48Å; N706-N709 VanDerWaalsContact O-N 3.15Å; M707-N709 VanDerWaalsContact C-N 3.27Å; M707-N709 PolarHBondContact O-N 2.95Å; N709-R711 VanDerWaalsContact C-N 3.32Å; N709-R711 PolarHBondContact O-N 2.81Å; N709-S712 PolarHBondContact O-N 2.87Å; N709-S712 VanDerWaalsContact O-N 3.12Å; N709-I713 HydrophobicContact CB-CD1 4.45Å; N709-I713 WeakPolarHBondContact O-CB 3.38Å; N709-I713 PolarHBondContact O-N 3.38Å; N709-G855 WeakPolarHBondContact OD1-CA 3.27Å; N709-T856 PolarHBondContact ND2-O 3.08Å; N709-T856 PolarHBondContact OD1-N 3.04Å; N709-T856 PolarHBondContact OD1-O 2.54Å; N709-F1000 HydrophobicContact CB-CZ 4Å; N709-F1000 WeakPolarHBondContact O-CE2 3.48Å; N709-L1006 HydrophobicContact CB-CD1 4.21Å
710	E	90.5	Very high	92.9	Very high	74 Å²	74	16.2 Å²	16.2	35%	0.346	8%	0.082	S	C	.	.	H	α-helix	trans	-59.2	-39.5	178.1	-72.4	172.2	-171.8	0	0	112.4	R670 N706 M707 S712 P722 F1000	R670-E710 IonicContact NH1-OE1 2.87Å; N706-E710 WeakPolarHBondContact O-CG 3.43Å; N706-E710 PolarHBondContact O-N 3.34Å; M707-E710 CarbonylContact O-C 3.6Å; M707-E710 PolarHBondContact O-N 3.17Å; M707-E710 VanDerWaalsContact O-N 3.11Å; E710-S712 VanDerWaalsContact C-N 3.34Å; E710-P722 WeakPolarHBondContact O-CD 3.38Å; E710-P722 WeakPolarHBondContact O-CG 3.42Å; E710-F1000 HydrophobicContact CB-CE2 4.48Å; E710-F1000 HydrophobicContact CB-CZ 4.36Å; E710-F1000 HydrophobicContact CG-CE1 4.26Å; E710-F1000 HydrophobicContact CG-CE2 4.26Å; E710-F1000 HydrophobicContact CG-CZ 3.75Å
711	R	90.3	Very high	93.1	Very high	81 Å²	81	17.9 Å²	17.9	31%	0.306	9%	0.089	S	C	.	.	H	α-helix	trans	-73.2	-26	176.9	-69.5	-173.2	-171.6	158.8	8.3	112.7	D543 M707 N709 H757	D543-R711 IonicContact OD2-CZ 3.05Å; D543-R711 IonicContact OD2-NH1 3.23Å; D543-R711 PolarHBondContact OD2-NH1 2.8Å; D543-R711 IonicContact OD2-NH2 3.87Å; M707-R711 VanDerWaalsContact CE-CZ 3.41Å; M707-R711 VanDerWaalsContact CE-NH1 3.33Å; M707-R711 HydrophobicContact CG-CG 4.11Å; M707-R711 WeakPolarHBondContact O-CB 3.48Å; M707-R711 WeakPolarHBondContact O-CG 3.37Å; M707-R711 PolarHBondContact O-N 2.94Å; M707-R711 WeakPolarHBondContact SD-CD 3.47Å; M707-R711 HydrophobicContact SD-CG 3.88Å; M707-R711 PolarHBondContact SD-NE 2.78Å; M707-R711 PolarHBondContact SD-NH1 3.15Å; N709-R711 VanDerWaalsContact C-N 3.32Å; N709-R711 PolarHBondContact O-N 2.81Å; R711-H757 PolarHBondContact NE-NE2 3.2Å; R711-H757 PolarHBondContact NH1-CE1 3.38Å; R711-H757 PolarHBondContact NH1-NE2 2.95Å; R711-H757 PolarHBondContact NH2-CE1 3.2Å; R711-H757 PolarHBondContact NH2-NE2 2.87Å
712	S	92.6	Very high	93.1	Very high	21 Å²	21	19.3 Å²	19.3	15%	0.147	10%	0.098	C	C	.	.	H	α-helix	trans	-102.3	-31.8	-171.2	-63.2	0	0	0	0	114.4	D708 N709 E710 K721 G853 I854	D708-S712 WeakPolarHBondContact O-CB 3.29Å; D708-S712 PolarHBondContact O-N 3.34Å; D708-S712 VanDerWaalsContact O-N 3.08Å; D708-S712 PolarHBondContact O-OG 3.08Å; N709-S712 PolarHBondContact O-N 2.87Å; N709-S712 VanDerWaalsContact O-N 3.12Å; E710-S712 VanDerWaalsContact C-N 3.34Å; S712-K721 WeakPolarHBondContact O-CE 3.28Å; S712-K721 PolarHBondContact O-NZ 3.25Å; S712-G853 WeakPolarHBondContact O-CA 3.27Å; S712-I854 WeakPolarHBondContact CB-O 3.25Å; S712-I854 PolarHBondContact OG-O 3.14Å
713	I	95	Very high	93.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.106	C	C	.	.	S	Bend	trans	-109.1	129.4	-176	-59.6	174.7	0	0	0	108.5	N709 W858 T860 V998 F1000 L1006	N709-I713 HydrophobicContact CB-CD1 4.45Å; N709-I713 WeakPolarHBondContact O-CB 3.38Å; N709-I713 PolarHBondContact O-N 3.38Å; I713-W858 HydrophobicContact CD1-CB 3.6Å; I713-T860 HydrophobicContact CB-CG2 4.49Å; I713-T860 HydrophobicContact CG1-CG2 4.24Å; I713-T860 HydrophobicContact CG2-CG2 4.28Å; I713-V998 HydrophobicContact CD1-CG1 4.48Å; I713-V998 WeakPolarHBondContact CG2-O 2.98Å; I713-F1000 HydrophobicContact CB-CD2 4.18Å; I713-F1000 HydrophobicContact CB-CE2 3.87Å; I713-F1000 HydrophobicContact CG2-CD2 4.05Å; I713-F1000 HydrophobicContact CG2-CE2 4.19Å; I713-F1000 WeakPolarHBondContact O-CD2 3.38Å; I713-L1006 HydrophobicContact CB-CD2 4.31Å; I713-L1006 HydrophobicContact CD1-CD1 4.3Å; I713-L1006 HydrophobicContact CD1-CD2 3.76Å; I713-L1006 HydrophobicContact CG2-CD2 3.84Å
714	P	96.1	Very high	93.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.1	C	C	.	.			trans	-79.2	166.6	-178.9	30.9	-30	0	0	0	112.8	G719 L720 K721 V846 A851 L999 F1000	P714-G719 VanDerWaalsContact CB-C 3.44Å; P714-G719 WeakPolarHBondContact CB-O 3.47Å; P714-L720 WeakPolarHBondContact CA-O 3.44Å; P714-K721 HydrophobicContact CB-CG 4.22Å; P714-V846 HydrophobicContact CG-CG2 4.34Å; P714-A851 HydrophobicContact CG-CB 3.55Å; P714-L999 HydrophobicContact CG-CD2 3.69Å; P714-F1000 PolarHBondContact O-N 3.27Å; P714-F1000 VanDerWaalsContact O-N 3.16Å
715	S	95.6	Very high	93.7	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.063	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-72.2	144.6	168.3	174.9	0	0	0	0	111.1	V717 D718 G719 L720	S715-V717 PolarHBondContact O-N 3.32Å; S715-V717 PolarHBondContact OG-N 3Å; S715-V717 VanDerWaalsContact OG-N 3.07Å; S715-D718 WeakPolarHBondContact CB-OD1 3.3Å; S715-G719 WeakPolarHBondContact O-CA 3.3Å; S715-G719 PolarHBondContact O-N 3.46Å; S715-L720 PolarHBondContact N-O 3.36Å
716	L	95.9	Very high	93.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.9	167.4	177.2	80.9	0	0	0	111.6	L999 F1000 F1009 I1015 E1018	L716-L999 HydrophobicContact CB-CB 4.24Å; L716-L999 HydrophobicContact CD1-CD1 3.81Å; L716-F1000 WeakPolarHBondContact CB-O 3.07Å; L716-F1000 PolarHBondContact N-O 3.4Å; L716-F1009 HydrophobicContact CD1-CE1 4.13Å; L716-F1009 HydrophobicContact CD1-CE2 4.07Å; L716-F1009 HydrophobicContact CD1-CZ 3.69Å; L716-F1009 HydrophobicContact CD2-CZ 4.38Å; L716-I1015 HydrophobicContact CD1-CB 4.13Å; L716-I1015 HydrophobicContact CD1-CG1 4.15Å; L716-I1015 HydrophobicContact CD1-CG2 3.66Å; L716-E1018 HydrophobicContact CD2-CB 3.79Å; L716-E1018 HydrophobicContact CD2-CG 3.55Å
717	V	95.7	Very high	94.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-55.9	-168.1	-167.6	0	0	0	0	111.4	S715 W838 Y839 C840 P841 A1002 F1019 V1022	S715-V717 PolarHBondContact O-N 3.32Å; S715-V717 PolarHBondContact OG-N 3Å; S715-V717 VanDerWaalsContact OG-N 3.07Å; V717-W838 HydrophobicContact CB-CB 4.35Å; V717-W838 HydrophobicContact CB-CD2 3.98Å; V717-W838 HydrophobicContact CB-CE3 4.02Å; V717-W838 HydrophobicContact CB-CG 4.14Å; V717-W838 HydrophobicContact CG1-CD2 3.99Å; V717-W838 HydrophobicContact CG1-CE3 3.5Å; V717-W838 HydrophobicContact CG1-CZ3 3.81Å; V717-W838 HydrophobicContact CG2-CD2 4Å; V717-W838 HydrophobicContact CG2-CE3 4.34Å; V717-W838 HydrophobicContact CG2-CG 4.26Å; V717-Y839 WeakPolarHBondContact CG1-O 3.45Å; V717-C840 HydrophobicContact CG1-CB 4.39Å; V717-P841 WeakPolarHBondContact O-CD 3.49Å; V717-P841 WeakPolarHBondContact O-CG 3.31Å; V717-A1002 HydrophobicContact CG2-CB 3.99Å; V717-F1019 HydrophobicContact CG1-CE2 4.48Å; V717-F1019 WeakPolarHBondContact O-CD2 3.27Å; V717-F1019 WeakPolarHBondContact O-CE2 3.47Å; V717-V1022 HydrophobicContact CG1-CG1 4.11Å; V717-V1022 HydrophobicContact CG2-CG1 4.28Å
718	D	96.2	Very high	94.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.7	179	58.6	17	0	0	0	114.7	S715 L720 R725 F816 W838 Y839 T845	S715-D718 WeakPolarHBondContact CB-OD1 3.3Å; D718-L720 HydrophobicContact CB-CB 4.46Å; D718-L720 HydrophobicContact CB-CD1 4.39Å; D718-L720 HydrophobicContact CB-CG 4.11Å; D718-L720 WeakPolarHBondContact O-CG 3.38Å; D718-L720 PolarHBondContact O-N 3.39Å; D718-L720 PolarHBondContact OD1-N 3.04Å; D718-R725 IonicContact OD1-CZ 3.45Å; D718-R725 IonicContact OD1-NE 3.69Å; D718-R725 IonicContact OD1-NH2 2.73Å; D718-R725 PolarHBondContact OD1-NH2 3.48Å; D718-R725 IonicContact OD2-CZ 3.27Å; D718-R725 IonicContact OD2-NE 3.93Å; D718-R725 PolarHBondContact OD2-NE 2.96Å; D718-R725 IonicContact OD2-NH2 2.69Å; D718-R725 PolarHBondContact OD2-NH2 3.29Å; D718-R725 VanDerWaalsContact OD2-NH2 3.15Å; D718-F816 HydrophobicContact CB-CE1 4.37Å; D718-W838 WeakPolarHBondContact OD2-CA 3.31Å; D718-Y839 WeakPolarHBondContact CB-O 3.43Å; D718-Y839 PolarHBondContact OD2-N 3.16Å; D718-T845 PolarHBondContact O-OG1 3.05Å
719	G	95.9	Very high	94.7	Very high	9 Å²	9	18.5 Å²	18.5	9%	0.093	9%	0.094	C	C	.	.			trans	61.2	13.1	-175	0	0	0	0	0	114.7	P714 S715	P714-G719 VanDerWaalsContact CB-C 3.44Å; P714-G719 WeakPolarHBondContact CB-O 3.47Å; S715-G719 WeakPolarHBondContact O-CA 3.3Å; S715-G719 PolarHBondContact O-N 3.46Å
720	L	96.7	Very high	94.8	Very high	7 Å²	7	18.5 Å²	18.5	4%	0.037	9%	0.094	C	C	.	.			trans	-102	146.5	-177.6	-58.1	-177.7	0	0	0	111.1	P714 S715 D718 Q724 R725 M728 L781	P714-L720 WeakPolarHBondContact CA-O 3.44Å; S715-L720 PolarHBondContact N-O 3.36Å; D718-L720 HydrophobicContact CB-CB 4.46Å; D718-L720 HydrophobicContact CB-CD1 4.39Å; D718-L720 HydrophobicContact CB-CG 4.11Å; D718-L720 WeakPolarHBondContact O-CG 3.38Å; D718-L720 PolarHBondContact O-N 3.39Å; D718-L720 PolarHBondContact OD1-N 3.04Å; L720-Q724 HydrophobicContact CB-CB 4.18Å; L720-Q724 HydrophobicContact CD2-CB 4.04Å; L720-R725 HydrophobicContact CB-CB 4.35Å; L720-R725 HydrophobicContact CD1-CB 4.43Å; L720-R725 PolarHBondContact O-NH2 3.13Å; L720-M728 HydrophobicContact CD1-CB 4.42Å; L720-M728 HydrophobicContact CD1-CG 3.83Å; L720-L781 HydrophobicContact CD2-CD1 4.09Å
721	K	95.7	Very high	95	Very high	46 Å²	46	15.5 Å²	15.5	20%	0.2	8%	0.081	C	C	.	.			trans	-85.5	157.4	162.7	-56.4	178	-169.1	-168.2	0	109.3	S712 P714 G723 Q724 R725 E852	S712-K721 WeakPolarHBondContact O-CE 3.28Å; S712-K721 PolarHBondContact O-NZ 3.25Å; P714-K721 HydrophobicContact CB-CG 4.22Å; K721-G723 VanDerWaalsContact C-N 3.28Å; K721-G723 PolarHBondContact O-N 3.12Å; K721-G723 VanDerWaalsContact O-N 3.15Å; K721-Q724 WeakPolarHBondContact O-CB 3.47Å; K721-Q724 PolarHBondContact O-N 3.37Å; K721-R725 PolarHBondContact O-N 2.96Å; K721-E852 PolarHBondContact NZ-O 3.2Å
722	P	93	Very high	95.2	Very high	33 Å²	33	12.6 Å²	12.6	21%	0.214	7%	0.071	C	C	.	.	H	α-helix	trans	-49.2	-44.4	179.6	-30	35.1	0	0	0	114	E710 Q724 R725 K726	E710-P722 WeakPolarHBondContact O-CD 3.38Å; E710-P722 WeakPolarHBondContact O-CG 3.42Å; P722-Q724 PolarHBondContact O-N 3.49Å; P722-R725 PolarHBondContact O-N 2.93Å; P722-R725 VanDerWaalsContact O-N 3.16Å; P722-K726 WeakPolarHBondContact O-CB 3.47Å; P722-K726 WeakPolarHBondContact O-CG 3.44Å; P722-K726 PolarHBondContact O-N 3.08Å
723	G	93.2	Very high	95.1	Very high	16 Å²	16	17.5 Å²	17.5	17%	0.165	9%	0.09	C	C	.	.	H	α-helix	trans	-60.2	-40.7	176.8	0	0	0	0	0	113.7	K721 V727	K721-G723 VanDerWaalsContact C-N 3.28Å; K721-G723 PolarHBondContact O-N 3.12Å; K721-G723 VanDerWaalsContact O-N 3.15Å; G723-V727 WeakPolarHBondContact O-CG2 3.43Å; G723-V727 PolarHBondContact O-N 3.34Å
724	Q	96.2	Very high	94.9	Very high	46 Å²	46	22.3 Å²	22.3	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-69.4	-39.3	175.7	-64.5	166	-37.9	0	0	111	L720 K721 P722 V727 M728 T765 L769	L720-Q724 HydrophobicContact CB-CB 4.18Å; L720-Q724 HydrophobicContact CD2-CB 4.04Å; K721-Q724 WeakPolarHBondContact O-CB 3.47Å; K721-Q724 PolarHBondContact O-N 3.37Å; P722-Q724 PolarHBondContact O-N 3.49Å; Q724-V727 WeakPolarHBondContact O-CB 3.15Å; Q724-V727 PolarHBondContact O-N 3.1Å; Q724-M728 WeakPolarHBondContact O-CG 3.26Å; Q724-M728 PolarHBondContact O-N 3Å; Q724-T765 HydrophobicContact CB-CG2 4.28Å; Q724-T765 HydrophobicContact CG-CG2 3.59Å; Q724-L769 HydrophobicContact CB-CD1 4.24Å; Q724-L769 HydrophobicContact CB-CD2 4.4Å; Q724-L769 HydrophobicContact CG-CD1 4.34Å; Q724-L769 HydrophobicContact CG-CD2 4.16Å; Q724-L769 HydrophobicContact CG-CG 4.4Å
725	R	96.3	Very high	94.3	Very high	15 Å²	15	25 Å²	25	6%	0.057	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-39.6	178.7	-164.3	175.7	-60.2	110	3.6	112.6	D718 L720 K721 P722 M728 F729 E835 P836 E837 Y839	D718-R725 IonicContact OD1-CZ 3.45Å; D718-R725 IonicContact OD1-NE 3.69Å; D718-R725 IonicContact OD1-NH2 2.73Å; D718-R725 PolarHBondContact OD1-NH2 3.48Å; D718-R725 IonicContact OD2-CZ 3.27Å; D718-R725 IonicContact OD2-NE 3.93Å; D718-R725 PolarHBondContact OD2-NE 2.96Å; D718-R725 IonicContact OD2-NH2 2.69Å; D718-R725 PolarHBondContact OD2-NH2 3.29Å; D718-R725 VanDerWaalsContact OD2-NH2 3.15Å; L720-R725 HydrophobicContact CB-CB 4.35Å; L720-R725 HydrophobicContact CD1-CB 4.43Å; L720-R725 PolarHBondContact O-NH2 3.13Å; K721-R725 PolarHBondContact O-N 2.96Å; P722-R725 PolarHBondContact O-N 2.93Å; P722-R725 VanDerWaalsContact O-N 3.16Å; R725-M728 PolarHBondContact O-N 3.49Å; R725-F729 WeakPolarHBondContact O-CB 3.2Å; R725-F729 PolarHBondContact O-N 3.38Å; R725-E835 HydrophobicContact CB-CG 4.33Å; R725-E835 HydrophobicContact CG-CB 4.11Å; R725-E835 HydrophobicContact CG-CG 3.94Å; R725-P836 WeakPolarHBondContact CD-O 3.45Å; R725-E837 VanDerWaalsContact CZ-O 3.22Å; R725-E837 PolarHBondContact NE-O 2.75Å; R725-E837 PolarHBondContact NH1-O 3.37Å; R725-Y839 HydrophobicContact CG-CD2 3.8Å; R725-Y839 HydrophobicContact CG-CE2 3.7Å
726	K	95.4	Very high	93.8	Very high	20 Å²	20	27.4 Å²	27.4	9%	0.087	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-41.5	173.3	-75.7	-178.3	-178.5	-64.4	0	112.6	P722 F729 T730 V749 S753 Y755 E835	P722-K726 WeakPolarHBondContact O-CB 3.47Å; P722-K726 WeakPolarHBondContact O-CG 3.44Å; P722-K726 PolarHBondContact O-N 3.08Å; K726-F729 PolarHBondContact O-N 2.86Å; K726-T730 PolarHBondContact O-N 2.84Å; K726-T730 VanDerWaalsContact O-N 3.1Å; K726-T730 PolarHBondContact O-OG1 3.03Å; K726-V749 HydrophobicContact CB-CG1 4.07Å; K726-S753 WeakPolarHBondContact CB-OG 3.38Å; K726-S753 PolarHBondContact NZ-O 2.78Å; K726-Y755 HydrophobicContact CD-CD2 3.63Å; K726-Y755 HydrophobicContact CD-CE2 4.37Å; K726-E835 WeakPolarHBondContact CE-OE1 3.36Å; K726-E835 HydrophobicContact CG-CG 4.15Å; K726-E835 WeakPolarHBondContact CG-OE1 3.11Å; K726-E835 VanDerWaalsContact CG-OE2 3.23Å; K726-E835 WeakPolarHBondContact CG-OE2 3.42Å; K726-E835 IonicContact NZ-OE1 2.91Å; K726-E835 PolarHBondContact NZ-OE1 3.05Å; K726-E835 IonicContact NZ-OE2 2.91Å; K726-E835 PolarHBondContact NZ-OE2 3.36Å
727	V	95.8	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-51.7	172	173.1	0	0	0	0	110.1	G723 Q724 F729 T730 C731 V749 L762 T765 I766 L769 L782	G723-V727 WeakPolarHBondContact O-CG2 3.43Å; G723-V727 PolarHBondContact O-N 3.34Å; Q724-V727 WeakPolarHBondContact O-CB 3.15Å; Q724-V727 PolarHBondContact O-N 3.1Å; V727-F729 PolarHBondContact O-N 3.06Å; V727-T730 PolarHBondContact O-N 3.03Å; V727-C731 PolarHBondContact O-N 2.72Å; V727-C731 PolarHBondContact O-SG 2.94Å; V727-V749 HydrophobicContact CG2-CG1 4.25Å; V727-V749 HydrophobicContact CG2-CG2 4.26Å; V727-L762 HydrophobicContact CG2-CD2 4.14Å; V727-T765 HydrophobicContact CG2-CG2 4.29Å; V727-I766 HydrophobicContact CG1-CG1 3.86Å; V727-I766 HydrophobicContact CG2-CD1 4.45Å; V727-I766 HydrophobicContact CG2-CG1 3.76Å; V727-L769 HydrophobicContact CB-CD1 4.22Å; V727-L769 HydrophobicContact CG1-CD1 4Å; V727-L782 HydrophobicContact CG1-CD1 4.15Å
728	M	95.6	Very high	93.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-42.5	179.7	-66.9	-47	-56.6	0	0	112.8	L720 Q724 R725 T730 C731 F732 L781 L808 T812 Y839	L720-M728 HydrophobicContact CD1-CB 4.42Å; L720-M728 HydrophobicContact CD1-CG 3.83Å; Q724-M728 WeakPolarHBondContact O-CG 3.26Å; Q724-M728 PolarHBondContact O-N 3Å; R725-M728 PolarHBondContact O-N 3.49Å; M728-T730 VanDerWaalsContact C-N 3.34Å; M728-T730 PolarHBondContact O-N 3.02Å; M728-C731 PolarHBondContact O-N 2.91Å; M728-F732 HydrophobicContact CB-CD2 4.45Å; M728-F732 HydrophobicContact CB-CE2 4.05Å; M728-F732 HydrophobicContact CB-CZ 4.49Å; M728-F732 HydrophobicContact CE-CD1 4.45Å; M728-F732 HydrophobicContact CE-CE1 3.62Å; M728-F732 HydrophobicContact CE-CE2 4.01Å; M728-F732 HydrophobicContact CE-CZ 3.35Å; M728-F732 WeakPolarHBondContact O-CB 3.31Å; M728-F732 WeakPolarHBondContact O-CD2 3.37Å; M728-F732 WeakPolarHBondContact O-CG 3.24Å; M728-F732 PolarHBondContact O-N 3.33Å; M728-L781 HydrophobicContact CG-CD1 4.42Å; M728-L781 HydrophobicContact SD-CB 4.1Å; M728-L781 HydrophobicContact SD-CD1 3.99Å; M728-L808 HydrophobicContact CE-CD1 3.7Å; M728-T812 HydrophobicContact CE-CG2 3.47Å; M728-T812 VanDerWaalsContact CE-CG2 3.47Å; M728-Y839 HydrophobicContact CB-CE2 4.44Å
729	F	95.2	Very high	93	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-56.6	-47.7	175.7	172.2	-113	0	0	0	112.2	R725 K726 V727 F732 K733 T752 F826 I834 E835 Y839	R725-F729 WeakPolarHBondContact O-CB 3.2Å; R725-F729 PolarHBondContact O-N 3.38Å; K726-F729 PolarHBondContact O-N 2.86Å; V727-F729 PolarHBondContact O-N 3.06Å; F729-F732 PolarHBondContact O-N 3.34Å; F729-K733 HydrophobicContact CZ-CD 4.39Å; F729-K733 WeakPolarHBondContact O-CB 3.49Å; F729-K733 PolarHBondContact O-N 3.3Å; F729-T752 HydrophobicContact CD1-CG2 4.29Å; F729-T752 HydrophobicContact CE1-CG2 3.83Å; F729-F826 HydrophobicContact CD2-CE1 4.17Å; F729-F826 HydrophobicContact CE2-CD1 4.33Å; F729-F826 AromaticContact CE2-CE1 3.79Å; F729-F826 HydrophobicContact CE2-CE1 3.79Å; F729-I834 WeakPolarHBondContact CE2-O 3.47Å; F729-I834 VanDerWaalsContact CZ-O 3.24Å; F729-I834 WeakPolarHBondContact CZ-O 3.37Å; F729-E835 HydrophobicContact CB-CB 3.71Å; F729-E835 HydrophobicContact CD1-CB 4.33Å; F729-E835 HydrophobicContact CD2-CB 4.41Å; F729-E835 HydrophobicContact CG-CB 3.92Å; F729-Y839 WeakPolarHBondContact CA-OH 3.25Å; F729-Y839 WeakPolarHBondContact CB-OH 3.09Å
730	T	94.4	Very high	92.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-43	178.8	-52.3	0	0	0	0	111.3	K726 V727 M728 F732 K733 R734 V749 T752	K726-T730 PolarHBondContact O-N 2.84Å; K726-T730 VanDerWaalsContact O-N 3.1Å; K726-T730 PolarHBondContact O-OG1 3.03Å; V727-T730 PolarHBondContact O-N 3.03Å; M728-T730 VanDerWaalsContact C-N 3.34Å; M728-T730 PolarHBondContact O-N 3.02Å; T730-F732 VanDerWaalsContact C-N 3.34Å; T730-F732 PolarHBondContact O-N 2.97Å; T730-K733 PolarHBondContact O-N 3.23Å; T730-R734 HydrophobicContact CG2-CG 4.3Å; T730-R734 WeakPolarHBondContact O-CB 3.45Å; T730-R734 WeakPolarHBondContact O-CG 2.99Å; T730-R734 PolarHBondContact O-N 3.12Å; T730-V749 HydrophobicContact CG2-CB 4.5Å; T730-V749 HydrophobicContact CG2-CG2 3.86Å; T730-V749 WeakPolarHBondContact OG1-CA 3.34Å; T730-T752 HydrophobicContact CG2-CG2 4.46Å
731	C	94.6	Very high	92.8	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-41.1	176.1	-69.3	0	0	0	0	112.2	V727 M728 N735 L808	V727-C731 PolarHBondContact O-N 2.72Å; V727-C731 PolarHBondContact O-SG 2.94Å; M728-C731 PolarHBondContact O-N 2.91Å; C731-N735 PolarHBondContact O-N 3.38Å; C731-L808 HydrophobicContact CB-CD1 4.24Å
732	F	93.8	Very high	92.9	Very high	20 Å²	20	51.5 Å²	51.5	9%	0.088	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-39.1	177	-65.3	-31.9	0	0	0	112.6	M728 F729 T730 L808 T812 F816 Y839	M728-F732 HydrophobicContact CB-CD2 4.45Å; M728-F732 HydrophobicContact CB-CE2 4.05Å; M728-F732 HydrophobicContact CB-CZ 4.49Å; M728-F732 HydrophobicContact CE-CD1 4.45Å; M728-F732 HydrophobicContact CE-CE1 3.62Å; M728-F732 HydrophobicContact CE-CE2 4.01Å; M728-F732 HydrophobicContact CE-CZ 3.35Å; M728-F732 WeakPolarHBondContact O-CB 3.31Å; M728-F732 WeakPolarHBondContact O-CD2 3.37Å; M728-F732 WeakPolarHBondContact O-CG 3.24Å; M728-F732 PolarHBondContact O-N 3.33Å; F729-F732 PolarHBondContact O-N 3.34Å; T730-F732 VanDerWaalsContact C-N 3.34Å; T730-F732 PolarHBondContact O-N 2.97Å; F732-L808 HydrophobicContact CD1-CD1 4.35Å; F732-L808 HydrophobicContact CD1-CD2 4.03Å; F732-L808 HydrophobicContact CE1-CD1 3.95Å; F732-L808 HydrophobicContact CE1-CD2 4.03Å; F732-T812 HydrophobicContact CE1-CG2 4.21Å; F732-T812 HydrophobicContact CZ-CG2 4.28Å; F732-F816 HydrophobicContact CE1-CB 4.34Å; F732-F816 HydrophobicContact CE2-CB 4.09Å; F732-F816 HydrophobicContact CE2-CG 4.23Å; F732-F816 HydrophobicContact CZ-CB 3.55Å; F732-F816 AromaticContact CZ-CD2 3.92Å; F732-F816 HydrophobicContact CZ-CD2 3.92Å; F732-F816 AromaticContact CZ-CG 3.76Å; F732-F816 HydrophobicContact CZ-CG 3.76Å; F732-Y839 HydrophobicContact CD2-CD1 4.4Å; F732-Y839 AromaticContact CD2-CE1 3.62Å; F732-Y839 HydrophobicContact CD2-CE1 3.62Å; F732-Y839 AromaticContact CD2-CZ 3.69Å; F732-Y839 HydrophobicContact CE2-CD1 4.03Å; F732-Y839 AromaticContact CE2-CE1 3.69Å; F732-Y839 HydrophobicContact CE2-CE1 3.69Å; F732-Y839 HydrophobicContact CE2-CE2 4.38Å; F732-Y839 AromaticContact CE2-CZ 3.9Å
733	K	90.8	Very high	92.9	Very high	125 Å²	125	51.2 Å²	51.2	54%	0.543	23%	0.234	S	C	.	.	H	α-helix	trans	-67.8	-43.6	178.2	-167.1	-179	-174.2	179.3	0	112.1	F729 T730 T752	F729-K733 HydrophobicContact CZ-CD 4.39Å; F729-K733 WeakPolarHBondContact O-CB 3.49Å; F729-K733 PolarHBondContact O-N 3.3Å; T730-K733 PolarHBondContact O-N 3.23Å; K733-T752 HydrophobicContact CD-CG2 3.56Å
734	R	89.8	Confident	93	Very high	101 Å²	101	56 Å²	56	38%	0.381	25%	0.252	S	S	.	.	H	α-helix	trans	-70.5	-37.8	176.8	-69.4	174.5	60.1	102	11.9	112.1	T730 D736 S748	T730-R734 HydrophobicContact CG2-CG 4.3Å; T730-R734 WeakPolarHBondContact O-CB 3.45Å; T730-R734 WeakPolarHBondContact O-CG 2.99Å; T730-R734 PolarHBondContact O-N 3.12Å; R734-D736 IonicContact CZ-OD2 2.76Å; R734-D736 VanDerWaalsContact CZ-OD2 3.27Å; R734-D736 IonicContact NE-OD2 2.82Å; R734-D736 PolarHBondContact NE-OD2 3.17Å; R734-D736 IonicContact NH2-OD1 3.16Å; R734-D736 IonicContact NH2-OD2 2.69Å; R734-D736 PolarHBondContact NH2-OD2 3.49Å; R734-D736 PolarHBondContact O-N 2.89Å; R734-D736 VanDerWaalsContact O-N 3.15Å; R734-S748 PolarHBondContact NH1-OG 3.17Å
735	N	85.1	Confident	92.9	Very high	59 Å²	59	54.1 Å²	54.1	32%	0.316	24%	0.243	S	C	.	.			trans	49.7	36.5	-178.2	-163.1	25.2	0	0	0	113.4	C731 K737 R813	C731-N735 PolarHBondContact O-N 3.38Å; N735-K737 PolarHBondContact O-N 3.27Å; N735-K737 PolarHBondContact OD1-NZ 3.39Å; N735-R813 PolarHBondContact OD1-NH2 2.69Å
736	D	85.3	Confident	92.9	Very high	59 Å²	59	53.4 Å²	53.4	32%	0.316	24%	0.241	S	C	.	.			trans	-59.4	127.4	-176.4	-71.2	-37.1	0	0	0	110.9	R734 V740	R734-D736 IonicContact CZ-OD2 2.76Å; R734-D736 VanDerWaalsContact CZ-OD2 3.27Å; R734-D736 IonicContact NE-OD2 2.82Å; R734-D736 PolarHBondContact NE-OD2 3.17Å; R734-D736 IonicContact NH2-OD1 3.16Å; R734-D736 IonicContact NH2-OD2 2.69Å; R734-D736 PolarHBondContact NH2-OD2 3.49Å; R734-D736 PolarHBondContact O-N 2.89Å; R734-D736 VanDerWaalsContact O-N 3.15Å; D736-V740 HydrophobicContact CB-CG2 4.28Å
737	K	85.1	Confident	92.8	Very high	159 Å²	159	53.6 Å²	53.6	69%	0.691	25%	0.248	S	C	*	.	S	Bend	trans	-89.7	-9	174.7	-58	-53.9	-175.3	-166.5	0	113.4	N735	N735-K737 PolarHBondContact O-N 3.27Å; N735-K737 PolarHBondContact OD1-NZ 3.39Å
738	R	90.7	Very high	92.7	Very high	212 Å²	212	54.5 Å²	54.5	80%	0.8	25%	0.254	S	S	*	.	S	Bend	trans	-111.7	157.5	179	-62.2	-177.8	-177.7	178.8	0.8	109.4
739	E	93.8	Very high	92.6	Very high	101 Å²	101	54.5 Å²	54.5	47%	0.472	25%	0.254	S	S	.	.			trans	-65.2	145.5	173.5	66.9	-171.8	-159.9	0	0	112.2	V785 F805 T806	E739-V785 WeakPolarHBondContact OE2-CG1 3.43Å; E739-F805 HydrophobicContact CB-CB 4.15Å; E739-F805 HydrophobicContact CB-CD1 4.47Å; E739-F805 HydrophobicContact CG-CB 4.33Å; E739-F805 HydrophobicContact CG-CD1 3.99Å; E739-F805 HydrophobicContact CG-CG 4.45Å; E739-T806 WeakPolarHBondContact CA-O 3.44Å
740	V	94.7	Very high	92.4	Very high	18 Å²	18	55 Å²	55	11%	0.109	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.4	-178.5	-179.8	0	0	0	0	109	D736 V742 Q744 L745 F805 T806	D736-V740 HydrophobicContact CB-CG2 4.28Å; V740-V742 PolarHBondContact O-N 3.29Å; V740-Q744 HydrophobicContact CG1-CB 4.14Å; V740-L745 HydrophobicContact CG1-CB 4.23Å; V740-F805 CarbonylContact O-C 3.55Å; V740-F805 VanDerWaalsContact O-CA 3.29Å; V740-F805 WeakPolarHBondContact O-CA 3.39Å; V740-T806 PolarHBondContact N-O 3.33Å; V740-T806 PolarHBondContact O-N 3.04Å
741	K	95.3	Very high	92.1	Very high	78 Å²	78	62.2 Å²	62.2	34%	0.339	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.6	175.2	-68	-175.7	178	-179.3	0	110.6	A743 Q744 L745 F805	K741-A743 VanDerWaalsContact C-N 3.26Å; K741-A743 PolarHBondContact O-N 2.84Å; K741-Q744 HydrophobicContact CB-CB 4.31Å; K741-Q744 HydrophobicContact CB-CG 4.13Å; K741-Q744 PolarHBondContact O-N 2.88Å; K741-L745 PolarHBondContact O-N 3.1Å; K741-F805 HydrophobicContact CB-CD1 4.44Å; K741-F805 HydrophobicContact CB-CE1 4.42Å; K741-F805 HydrophobicContact CD-CE1 4.15Å; K741-F805 HydrophobicContact CD-CZ 4Å; K741-F805 HydrophobicContact CG-CD1 3.66Å; K741-F805 HydrophobicContact CG-CD2 4.39Å; K741-F805 HydrophobicContact CG-CE1 3.25Å; K741-F805 HydrophobicContact CG-CE2 4.04Å; K741-F805 HydrophobicContact CG-CG 4.23Å; K741-F805 HydrophobicContact CG-CZ 3.48Å; K741-F805 VanDerWaalsContact CG-CZ 3.48Å
742	V	95.9	Very high	91.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.1	-40.5	-179.2	172.9	0	0	0	0	111.9	V740 Q744 L745 A746 M763 I766 I767 F788 A801 I804 T806	V740-V742 PolarHBondContact O-N 3.29Å; V742-Q744 VanDerWaalsContact C-N 3.35Å; V742-Q744 PolarHBondContact O-N 3.23Å; V742-L745 PolarHBondContact O-N 3.49Å; V742-A746 WeakPolarHBondContact O-CB 3.34Å; V742-A746 PolarHBondContact O-N 3.43Å; V742-M763 HydrophobicContact CG1-CB 4.42Å; V742-I766 HydrophobicContact CB-CG2 4.43Å; V742-I766 HydrophobicContact CG1-CB 4.03Å; V742-I766 HydrophobicContact CG1-CD1 4.3Å; V742-I766 HydrophobicContact CG1-CG2 3.78Å; V742-I766 HydrophobicContact CG2-CG2 4.02Å; V742-I767 HydrophobicContact CG1-CG1 4.33Å; V742-F788 HydrophobicContact CG2-CE1 3.89Å; V742-F788 HydrophobicContact CG2-CZ 3.55Å; V742-A801 HydrophobicContact CB-CB 4.04Å; V742-A801 HydrophobicContact CG1-CB 3.77Å; V742-I804 HydrophobicContact CB-CG1 4.18Å; V742-I804 HydrophobicContact CG2-CD1 4.06Å; V742-I804 HydrophobicContact CG2-CG1 3.8Å; V742-I804 PolarHBondContact N-O 2.85Å; V742-T806 HydrophobicContact CG2-CG2 4.11Å
743	A	94.8	Very high	91.5	Very high	26 Å²	26	61.8 Å²	61.8	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-38.3	176.5	0	0	0	0	0	113.4	K741 G747 M763 A801 R802	K741-A743 VanDerWaalsContact C-N 3.26Å; K741-A743 PolarHBondContact O-N 2.84Å; A743-G747 PolarHBondContact O-N 3.16Å; A743-M763 HydrophobicContact CB-CE 4.27Å; A743-A801 HydrophobicContact CB-CB 4.36Å; A743-A801 PolarHBondContact N-O 3.44Å; A743-R802 HydrophobicContact CB-CG 4.48Å
744	Q	94.3	Very high	91.2	Very high	117 Å²	117	56.3 Å²	56.3	55%	0.547	27%	0.271	S	S	.	.	H	α-helix	trans	-72.3	-38.5	177.9	-69.5	175.6	-33.3	0	0	111.5	V740 K741 V742 G747 S748	V740-Q744 HydrophobicContact CG1-CB 4.14Å; K741-Q744 HydrophobicContact CB-CB 4.31Å; K741-Q744 HydrophobicContact CB-CG 4.13Å; K741-Q744 PolarHBondContact O-N 2.88Å; V742-Q744 VanDerWaalsContact C-N 3.35Å; V742-Q744 PolarHBondContact O-N 3.23Å; Q744-G747 PolarHBondContact O-N 3.09Å; Q744-S748 PolarHBondContact O-N 3.39Å; Q744-S748 PolarHBondContact O-OG 2.99Å
745	L	95	Very high	90.9	Very high	7 Å²	7	53 Å²	53	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-43.7	174.3	-177.7	60.2	0	0	0	110.7	V740 K741 V742 G747 S748 V749 I766 T806	V740-L745 HydrophobicContact CG1-CB 4.23Å; K741-L745 PolarHBondContact O-N 3.1Å; V742-L745 PolarHBondContact O-N 3.49Å; L745-G747 PolarHBondContact O-N 3.1Å; L745-S748 WeakPolarHBondContact O-CB 3.23Å; L745-S748 PolarHBondContact O-N 3.37Å; L745-V749 HydrophobicContact CD1-CG2 4.34Å; L745-V749 HydrophobicContact CG-CG2 4.38Å; L745-V749 VanDerWaalsContact O-CG2 3.22Å; L745-V749 WeakPolarHBondContact O-CG2 3.34Å; L745-V749 PolarHBondContact O-N 3.42Å; L745-I766 HydrophobicContact CB-CD1 4.26Å; L745-I766 HydrophobicContact CD2-CD1 4.12Å; L745-I766 HydrophobicContact CD2-CG1 4.42Å; L745-I766 HydrophobicContact CD2-CG2 4.17Å; L745-I766 HydrophobicContact CG-CD1 4Å; L745-T806 HydrophobicContact CD2-CG2 3.64Å
746	A	95	Very high	90.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-45.2	176.7	0	0	0	0	0	112.5	V742 S748 V749 A750 L762 M763 I766	V742-A746 WeakPolarHBondContact O-CB 3.34Å; V742-A746 PolarHBondContact O-N 3.43Å; A746-S748 PolarHBondContact O-N 2.9Å; A746-V749 PolarHBondContact O-N 2.88Å; A746-A750 PolarHBondContact O-N 3.48Å; A746-L762 HydrophobicContact CB-CB 4.17Å; A746-M763 HydrophobicContact CB-CE 4.26Å; A746-M763 HydrophobicContact CB-CG 3.67Å; A746-I766 HydrophobicContact CB-CD1 3.97Å
747	G	93.2	Very high	90.2	Very high	24 Å²	24	54.6 Å²	54.6	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-41.9	174.7	0	0	0	0	0	112.6	A743 Q744 L745 V749 A750 E751	A743-G747 PolarHBondContact O-N 3.16Å; Q744-G747 PolarHBondContact O-N 3.09Å; L745-G747 PolarHBondContact O-N 3.1Å; G747-V749 VanDerWaalsContact C-N 3.32Å; G747-V749 PolarHBondContact O-N 3.15Å; G747-A750 PolarHBondContact O-N 2.83Å; G747-E751 PolarHBondContact O-N 2.92Å; G747-E751 VanDerWaalsContact O-N 3.08Å
748	S	93.4	Very high	89.7	Confident	18 Å²	18	49.6 Å²	49.6	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-37.7	176	-56.2	0	0	0	0	112.5	R734 Q744 L745 A746 A750 T752	R734-S748 PolarHBondContact NH1-OG 3.17Å; Q744-S748 PolarHBondContact O-N 3.39Å; Q744-S748 PolarHBondContact O-OG 2.99Å; L745-S748 WeakPolarHBondContact O-CB 3.23Å; L745-S748 PolarHBondContact O-N 3.37Å; A746-S748 PolarHBondContact O-N 2.9Å; S748-A750 VanDerWaalsContact C-N 3.34Å; S748-T752 VanDerWaalsContact O-CB 3.24Å; S748-T752 WeakPolarHBondContact O-CB 3.34Å; S748-T752 PolarHBondContact O-N 3.24Å; S748-T752 PolarHBondContact O-OG1 2.6Å
749	V	94.1	Very high	89.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-42.6	176.1	173.5	0	0	0	0	109.8	K726 V727 T730 L745 A746 G747 E751 T752 S753 L762	K726-V749 HydrophobicContact CB-CG1 4.07Å; V727-V749 HydrophobicContact CG2-CG1 4.25Å; V727-V749 HydrophobicContact CG2-CG2 4.26Å; T730-V749 HydrophobicContact CG2-CB 4.5Å; T730-V749 HydrophobicContact CG2-CG2 3.86Å; T730-V749 WeakPolarHBondContact OG1-CA 3.34Å; L745-V749 HydrophobicContact CD1-CG2 4.34Å; L745-V749 HydrophobicContact CG-CG2 4.38Å; L745-V749 VanDerWaalsContact O-CG2 3.22Å; L745-V749 WeakPolarHBondContact O-CG2 3.34Å; L745-V749 PolarHBondContact O-N 3.42Å; A746-V749 PolarHBondContact O-N 2.88Å; G747-V749 VanDerWaalsContact C-N 3.32Å; G747-V749 PolarHBondContact O-N 3.15Å; V749-E751 VanDerWaalsContact C-N 3.33Å; V749-E751 PolarHBondContact O-N 3.45Å; V749-T752 PolarHBondContact O-N 3.31Å; V749-S753 WeakPolarHBondContact O-CB 3.31Å; V749-S753 PolarHBondContact O-N 3.48Å; V749-S753 PolarHBondContact O-OG 3.28Å; V749-L762 HydrophobicContact CB-CD1 4.17Å; V749-L762 HydrophobicContact CG1-CD1 3.88Å; V749-L762 HydrophobicContact CG1-CD2 3.78Å; V749-L762 HydrophobicContact CG1-CG 4.46Å
750	A	91	Very high	89.3	Confident	21 Å²	21	42.7 Å²	42.7	17%	0.174	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-43.2	178.9	0	0	0	0	0	112.5	A746 G747 S748 A754 Y755 E759 L762	A746-A750 PolarHBondContact O-N 3.48Å; G747-A750 PolarHBondContact O-N 2.83Å; S748-A750 VanDerWaalsContact C-N 3.34Å; A750-A754 PolarHBondContact O-N 3.32Å; A750-Y755 PolarHBondContact O-N 2.89Å; A750-E759 HydrophobicContact CB-CG 4.47Å; A750-L762 HydrophobicContact CB-CD1 4.21Å
751	E	87.9	Confident	89.1	Confident	150 Å²	150	45 Å²	45	70%	0.701	26%	0.263	S	S	*	.	H	α-helix	trans	-68.4	-48.1	176.5	-177.3	-175.3	-172.8	0	0	113	G747 V749 S753	G747-E751 PolarHBondContact O-N 2.92Å; G747-E751 VanDerWaalsContact O-N 3.08Å; V749-E751 VanDerWaalsContact C-N 3.33Å; V749-E751 PolarHBondContact O-N 3.45Å; E751-S753 PolarHBondContact O-N 3.37Å
752	T	88.6	Confident	88.9	Confident	22 Å²	22	41.3 Å²	41.3	14%	0.135	25%	0.247	C	C	.	.	H	α-helix	trans	-76.3	-27.7	-169.9	-57.9	0	0	0	0	113	F729 T730 K733 S748 V749	F729-T752 HydrophobicContact CD1-CG2 4.29Å; F729-T752 HydrophobicContact CE1-CG2 3.83Å; T730-T752 HydrophobicContact CG2-CG2 4.46Å; K733-T752 HydrophobicContact CD-CG2 3.56Å; S748-T752 VanDerWaalsContact O-CB 3.24Å; S748-T752 WeakPolarHBondContact O-CB 3.34Å; S748-T752 PolarHBondContact O-N 3.24Å; S748-T752 PolarHBondContact O-OG1 2.6Å; V749-T752 PolarHBondContact O-N 3.31Å
753	S	87.7	Confident	88.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	12.5	-172.7	71.8	0	0	0	0	113.9	K726 V749 E751 Y755	K726-S753 WeakPolarHBondContact CB-OG 3.38Å; K726-S753 PolarHBondContact NZ-O 2.78Å; V749-S753 WeakPolarHBondContact O-CB 3.31Å; V749-S753 PolarHBondContact O-N 3.48Å; V749-S753 PolarHBondContact O-OG 3.28Å; E751-S753 PolarHBondContact O-N 3.37Å; S753-Y755 PolarHBondContact O-N 3.05Å
754	A	84.6	Confident	88.9	Confident	11 Å²	11	43.5 Å²	43.5	9%	0.091	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	47	57.5	-174.3	0	0	0	0	0	111.6	A750 H756 D829 I834	A750-A754 PolarHBondContact O-N 3.32Å; A754-H756 PolarHBondContact O-CD2 3.48Å; A754-H756 PolarHBondContact O-N 3.34Å; A754-H756 PolarHBondContact O-NE2 3.24Å; A754-D829 HydrophobicContact CB-CB 4.08Å; A754-I834 HydrophobicContact CB-CG2 4.06Å
755	Y	84.1	Confident	89	Confident	32 Å²	32	39.1 Å²	39.1	13%	0.125	24%	0.242	C	C	.	.			trans	-85.8	113.7	-179.6	-169.3	-103.1	0	0	0	110.7	K726 A750 S753 H757 L762	K726-Y755 HydrophobicContact CD-CD2 3.63Å; K726-Y755 HydrophobicContact CD-CE2 4.37Å; A750-Y755 PolarHBondContact O-N 2.89Å; S753-Y755 PolarHBondContact O-N 3.05Å; Y755-H757 HydrophobicContact CD1-CB 4.17Å; Y755-H757 WeakPolarHBondContact CD1-O 3.3Å; Y755-H757 HydrophobicContact CE1-CB 3.46Å; Y755-H757 VanDerWaalsContact CE1-CB 3.46Å; Y755-H757 VanDerWaalsContact CE1-O 3.3Å; Y755-H757 WeakPolarHBondContact CE1-O 3.21Å; Y755-H757 AromaticContact CE2-CD2 3.84Å; Y755-H757 AromaticContact CZ-CD2 3.72Å; Y755-L762 HydrophobicContact CD1-CD1 3.36Å; Y755-L762 HydrophobicContact CD1-CD2 4.3Å; Y755-L762 HydrophobicContact CD1-CG 3.69Å; Y755-L762 HydrophobicContact CD2-CD1 4.42Å; Y755-L762 HydrophobicContact CD2-CD2 4.16Å; Y755-L762 HydrophobicContact CD2-CG 4.44Å; Y755-L762 HydrophobicContact CE1-CD1 3.72Å; Y755-L762 HydrophobicContact CE1-CD2 4.12Å; Y755-L762 HydrophobicContact CE1-CG 3.48Å; Y755-L762 VanDerWaalsContact CE1-CG 3.48Å; Y755-L762 HydrophobicContact CE2-CD2 3.99Å; Y755-L762 HydrophobicContact CE2-CG 4.28Å; Y755-L762 HydrophobicContact CG-CD1 3.73Å; Y755-L762 HydrophobicContact CG-CD2 4.3Å; Y755-L762 HydrophobicContact CG-CG 4.15Å
756	H	77	Confident	89	Confident	90 Å²	90	38.8 Å²	38.8	42%	0.417	24%	0.241	S	C	.	.			trans	-91.1	4.7	-173.4	-56	-70.1	0	0	0	114.7	K612 A754 D829 D830	K612-H756 PolarHBondContact NZ-CD2 3Å; K612-H756 VanDerWaalsContact NZ-CD2 3.27Å; K612-H756 PolarHBondContact NZ-CE1 3.3Å; K612-H756 PolarHBondContact NZ-NE2 2.87Å; A754-H756 PolarHBondContact O-CD2 3.48Å; A754-H756 PolarHBondContact O-N 3.34Å; A754-H756 PolarHBondContact O-NE2 3.24Å; H756-D829 IonicContact CD2-OD2 3.68Å; H756-D829 PolarHBondContact CD2-OD2 2.78Å; H756-D829 IonicContact CE1-OD2 3.61Å; H756-D829 IonicContact NE2-OD2 2.71Å; H756-D829 PolarHBondContact NE2-OD2 2.71Å; H756-D830 IonicContact CE1-OD2 2.78Å
757	H	77.8	Confident	89.1	Confident	60 Å²	60	39.8 Å²	39.8	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	-105	167.3	177.3	-46.3	-61.4	0	0	0	112	R711 Y755 E759	R711-H757 PolarHBondContact NE-NE2 3.2Å; R711-H757 PolarHBondContact NH1-CE1 3.38Å; R711-H757 PolarHBondContact NH1-NE2 2.95Å; R711-H757 PolarHBondContact NH2-CE1 3.2Å; R711-H757 PolarHBondContact NH2-NE2 2.87Å; Y755-H757 HydrophobicContact CD1-CB 4.17Å; Y755-H757 WeakPolarHBondContact CD1-O 3.3Å; Y755-H757 HydrophobicContact CE1-CB 3.46Å; Y755-H757 VanDerWaalsContact CE1-CB 3.46Å; Y755-H757 VanDerWaalsContact CE1-O 3.3Å; Y755-H757 WeakPolarHBondContact CE1-O 3.21Å; Y755-H757 AromaticContact CE2-CD2 3.84Å; Y755-H757 AromaticContact CZ-CD2 3.72Å; H757-E759 PolarHBondContact O-N 2.99Å
758	G	75.7	Confident	89.2	Confident	54 Å²	54	42.8 Å²	42.8	56%	0.557	26%	0.256	S	S	*	.			trans	-59.2	133.2	179.6	0	0	0	0	0	112.8	A760 S761	G758-A760 PolarHBondContact O-N 2.98Å; G758-S761 PolarHBondContact O-N 2.96Å
759	E	86.1	Confident	89.4	Confident	89 Å²	89	42.2 Å²	42.2	42%	0.416	25%	0.252	S	S	.	.	H	α-helix	trans	-56.5	-24	-179	-62.2	-179.6	171	0	0	113.7	A750 H757 S761 L762 M763	A750-E759 HydrophobicContact CB-CG 4.47Å; H757-E759 PolarHBondContact O-N 2.99Å; E759-S761 PolarHBondContact O-N 3.18Å; E759-L762 WeakPolarHBondContact O-CA 3.47Å; E759-L762 WeakPolarHBondContact O-CB 3.16Å; E759-L762 PolarHBondContact O-N 3.01Å; E759-M763 HydrophobicContact CB-CE 4Å; E759-M763 WeakPolarHBondContact O-CG 3.46Å; E759-M763 PolarHBondContact O-N 3.03Å
760	A	88.7	Confident	89.6	Confident	79 Å²	79	42.2 Å²	42.2	65%	0.653	25%	0.252	S	S	*	.	H	α-helix	trans	-56.1	-35.4	175.5	0	0	0	0	0	112.5	G758 M763 G764	G758-A760 PolarHBondContact O-N 2.98Å; A760-M763 PolarHBondContact O-N 3.32Å; A760-G764 PolarHBondContact O-N 2.95Å; A760-G764 VanDerWaalsContact O-N 3.12Å
761	S	90.3	Very high	89.8	Confident	68 Å²	68	41.8 Å²	41.8	48%	0.476	25%	0.246	S	C	.	.	H	α-helix	trans	-69.2	-38.7	175.6	-169.7	0	0	0	0	111.8	G758 E759 G764 T765	G758-S761 PolarHBondContact O-N 2.96Å; E759-S761 PolarHBondContact O-N 3.18Å; S761-G764 PolarHBondContact O-N 3.48Å; S761-T765 WeakPolarHBondContact O-CB 3.34Å; S761-T765 PolarHBondContact O-N 2.97Å; S761-T765 PolarHBondContact O-OG1 3.35Å
762	L	92.9	Very high	90.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-43.2	173.6	-75.4	173.5	0	0	0	111.7	V727 A746 V749 A750 Y755 E759 G764 T765 I766	V727-L762 HydrophobicContact CG2-CD2 4.14Å; A746-L762 HydrophobicContact CB-CB 4.17Å; V749-L762 HydrophobicContact CB-CD1 4.17Å; V749-L762 HydrophobicContact CG1-CD1 3.88Å; V749-L762 HydrophobicContact CG1-CD2 3.78Å; V749-L762 HydrophobicContact CG1-CG 4.46Å; A750-L762 HydrophobicContact CB-CD1 4.21Å; Y755-L762 HydrophobicContact CD1-CD1 3.36Å; Y755-L762 HydrophobicContact CD1-CD2 4.3Å; Y755-L762 HydrophobicContact CD1-CG 3.69Å; Y755-L762 HydrophobicContact CD2-CD1 4.42Å; Y755-L762 HydrophobicContact CD2-CD2 4.16Å; Y755-L762 HydrophobicContact CD2-CG 4.44Å; Y755-L762 HydrophobicContact CE1-CD1 3.72Å; Y755-L762 HydrophobicContact CE1-CD2 4.12Å; Y755-L762 HydrophobicContact CE1-CG 3.48Å; Y755-L762 VanDerWaalsContact CE1-CG 3.48Å; Y755-L762 HydrophobicContact CE2-CD2 3.99Å; Y755-L762 HydrophobicContact CE2-CG 4.28Å; Y755-L762 HydrophobicContact CG-CD1 3.73Å; Y755-L762 HydrophobicContact CG-CD2 4.3Å; Y755-L762 HydrophobicContact CG-CG 4.15Å; E759-L762 WeakPolarHBondContact O-CA 3.47Å; E759-L762 WeakPolarHBondContact O-CB 3.16Å; E759-L762 PolarHBondContact O-N 3.01Å; L762-G764 VanDerWaalsContact C-N 3.33Å; L762-G764 PolarHBondContact O-N 3.49Å; L762-T765 WeakPolarHBondContact O-CA 3.23Å; L762-T765 WeakPolarHBondContact O-CB 3.39Å; L762-T765 PolarHBondContact O-N 2.89Å; L762-I766 WeakPolarHBondContact O-CG1 3.43Å; L762-I766 PolarHBondContact O-N 2.77Å
763	M	95.1	Very high	90.3	Very high	42 Å²	42	38 Å²	38	21%	0.207	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-47	176.5	-67.2	174.5	-165.1	0	0	110.9	V742 A743 A746 E759 A760 T765 I766 I767 A801	V742-M763 HydrophobicContact CG1-CB 4.42Å; A743-M763 HydrophobicContact CB-CE 4.27Å; A746-M763 HydrophobicContact CB-CE 4.26Å; A746-M763 HydrophobicContact CB-CG 3.67Å; E759-M763 HydrophobicContact CB-CE 4Å; E759-M763 WeakPolarHBondContact O-CG 3.46Å; E759-M763 PolarHBondContact O-N 3.03Å; A760-M763 PolarHBondContact O-N 3.32Å; M763-T765 VanDerWaalsContact C-N 3.31Å; M763-T765 PolarHBondContact O-N 3.27Å; M763-I766 PolarHBondContact O-N 3.05Å; M763-I767 VanDerWaalsContact O-CG1 3.26Å; M763-I767 WeakPolarHBondContact O-CG1 3.38Å; M763-I767 PolarHBondContact O-N 3.39Å; M763-A801 HydrophobicContact CB-CB 4Å; M763-A801 HydrophobicContact CG-CB 3.87Å; M763-A801 HydrophobicContact SD-CB 3.66Å
764	G	94.4	Very high	90.6	Very high	29 Å²	29	38.6 Å²	38.6	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-36.7	174.2	0	0	0	0	0	113.2	A760 S761 L762 I767 N768	A760-G764 PolarHBondContact O-N 2.95Å; A760-G764 VanDerWaalsContact O-N 3.12Å; S761-G764 PolarHBondContact O-N 3.48Å; L762-G764 VanDerWaalsContact C-N 3.33Å; L762-G764 PolarHBondContact O-N 3.49Å; G764-I767 PolarHBondContact O-N 3.44Å; G764-N768 WeakPolarHBondContact O-CB 3.45Å; G764-N768 PolarHBondContact O-N 3.27Å; G764-N768 PolarHBondContact O-ND2 3.26Å
765	T	95.5	Very high	90.9	Very high	25 Å²	25	39.1 Å²	39.1	15%	0.153	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-45.3	176.1	-58.9	0	0	0	0	111.8	Q724 V727 S761 L762 M763 N768 L769	Q724-T765 HydrophobicContact CB-CG2 4.28Å; Q724-T765 HydrophobicContact CG-CG2 3.59Å; V727-T765 HydrophobicContact CG2-CG2 4.29Å; S761-T765 WeakPolarHBondContact O-CB 3.34Å; S761-T765 PolarHBondContact O-N 2.97Å; S761-T765 PolarHBondContact O-OG1 3.35Å; L762-T765 WeakPolarHBondContact O-CA 3.23Å; L762-T765 WeakPolarHBondContact O-CB 3.39Å; L762-T765 PolarHBondContact O-N 2.89Å; M763-T765 VanDerWaalsContact C-N 3.31Å; M763-T765 PolarHBondContact O-N 3.27Å; T765-N768 PolarHBondContact O-N 3.12Å; T765-L769 HydrophobicContact CG2-CD1 4.31Å; T765-L769 WeakPolarHBondContact O-CG 3.49Å; T765-L769 PolarHBondContact O-N 2.64Å
766	I	96.6	Very high	91.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-45.7	177.3	-67.6	162.4	0	0	0	110.4	V727 V742 L745 A746 L762 M763 N768 L769 A770 L782 T806	V727-I766 HydrophobicContact CG1-CG1 3.86Å; V727-I766 HydrophobicContact CG2-CD1 4.45Å; V727-I766 HydrophobicContact CG2-CG1 3.76Å; V742-I766 HydrophobicContact CB-CG2 4.43Å; V742-I766 HydrophobicContact CG1-CB 4.03Å; V742-I766 HydrophobicContact CG1-CD1 4.3Å; V742-I766 HydrophobicContact CG1-CG2 3.78Å; V742-I766 HydrophobicContact CG2-CG2 4.02Å; L745-I766 HydrophobicContact CB-CD1 4.26Å; L745-I766 HydrophobicContact CD2-CD1 4.12Å; L745-I766 HydrophobicContact CD2-CG1 4.42Å; L745-I766 HydrophobicContact CD2-CG2 4.17Å; L745-I766 HydrophobicContact CG-CD1 4Å; A746-I766 HydrophobicContact CB-CD1 3.97Å; L762-I766 WeakPolarHBondContact O-CG1 3.43Å; L762-I766 PolarHBondContact O-N 2.77Å; M763-I766 PolarHBondContact O-N 3.05Å; I766-N768 PolarHBondContact O-N 3.02Å; I766-L769 PolarHBondContact O-N 3.25Å; I766-A770 PolarHBondContact O-N 3.29Å; I766-L782 HydrophobicContact CG2-CD1 3.87Å; I766-T806 HydrophobicContact CG2-CG2 3.93Å
767	I	96.9	Very high	92.3	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.108	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-48	177.9	-69.4	166.1	0	0	0	110.6	V742 M763 G764 L769 A770 H771 F788 A798 I804	V742-I767 HydrophobicContact CG1-CG1 4.33Å; M763-I767 VanDerWaalsContact O-CG1 3.26Å; M763-I767 WeakPolarHBondContact O-CG1 3.38Å; M763-I767 PolarHBondContact O-N 3.39Å; G764-I767 PolarHBondContact O-N 3.44Å; I767-L769 VanDerWaalsContact C-N 3.32Å; I767-L769 PolarHBondContact O-N 3.05Å; I767-A770 PolarHBondContact O-N 3.17Å; I767-H771 WeakPolarHBondContact CG2-NE2 3.34Å; I767-H771 PolarHBondContact O-CD2 3.37Å; I767-H771 VanDerWaalsContact O-CD2 3.29Å; I767-H771 PolarHBondContact O-N 3.3Å; I767-H771 VanDerWaalsContact O-N 3.16Å; I767-F788 HydrophobicContact CB-CD1 4.25Å; I767-F788 HydrophobicContact CG1-CD1 4.2Å; I767-F788 HydrophobicContact CG1-CE1 4.15Å; I767-F788 HydrophobicContact CG2-CD1 4.1Å; I767-A798 HydrophobicContact CG2-CB 3.99Å; I767-I804 HydrophobicContact CD1-CD1 3.92Å; I767-I804 HydrophobicContact CG1-CD1 3.79Å
768	N	96	Very high	93.2	Very high	88 Å²	88	32.8 Å²	32.8	47%	0.471	21%	0.214	S	C	.	.	H	α-helix	trans	-63.2	-34.8	179.3	-72.3	-23.1	0	0	0	113.5	G764 T765 I766 A770 H771 N777	G764-N768 WeakPolarHBondContact O-CB 3.45Å; G764-N768 PolarHBondContact O-N 3.27Å; G764-N768 PolarHBondContact O-ND2 3.26Å; T765-N768 PolarHBondContact O-N 3.12Å; I766-N768 PolarHBondContact O-N 3.02Å; N768-A770 PolarHBondContact O-N 3.36Å; N768-H771 PolarHBondContact OD1-CE1 2.92Å; N768-N777 PolarHBondContact O-ND2 3.02Å
769	L	97	Very high	94.2	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-19.2	175.7	-73.4	174.6	0	0	0	113.1	Q724 V727 T765 I766 I767 L781 L782	Q724-L769 HydrophobicContact CB-CD1 4.24Å; Q724-L769 HydrophobicContact CB-CD2 4.4Å; Q724-L769 HydrophobicContact CG-CD1 4.34Å; Q724-L769 HydrophobicContact CG-CD2 4.16Å; Q724-L769 HydrophobicContact CG-CG 4.4Å; V727-L769 HydrophobicContact CB-CD1 4.22Å; V727-L769 HydrophobicContact CG1-CD1 4Å; T765-L769 HydrophobicContact CG2-CD1 4.31Å; T765-L769 WeakPolarHBondContact O-CG 3.49Å; T765-L769 PolarHBondContact O-N 2.64Å; I766-L769 PolarHBondContact O-N 3.25Å; I767-L769 VanDerWaalsContact C-N 3.32Å; I767-L769 PolarHBondContact O-N 3.05Å; L769-L781 HydrophobicContact CD2-CD1 4.18Å; L769-L781 PolarHBondContact O-N 3.11Å; L769-L781 VanDerWaalsContact O-N 3.12Å; L769-L782 HydrophobicContact CB-CD1 4.07Å; L769-L782 HydrophobicContact CB-CG 4.28Å; L769-L782 PolarHBondContact O-N 3.32Å
770	A	97	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-96.3	-17.5	-179.4	0	0	0	0	0	114.2	I766 I767 N768 D772 L782 P784 F788	I766-A770 PolarHBondContact O-N 3.29Å; I767-A770 PolarHBondContact O-N 3.17Å; N768-A770 PolarHBondContact O-N 3.36Å; A770-D772 PolarHBondContact O-N 2.82Å; A770-L782 WeakPolarHBondContact CA-O 3.5Å; A770-L782 HydrophobicContact CB-CB 3.95Å; A770-P784 HydrophobicContact CB-CB 4.32Å; A770-P784 WeakPolarHBondContact O-CB 3.31Å; A770-P784 WeakPolarHBondContact O-CD 3.31Å; A770-P784 WeakPolarHBondContact O-CG 3.33Å; A770-F788 HydrophobicContact CB-CD1 3.54Å; A770-F788 HydrophobicContact CB-CE1 3.59Å; A770-F788 HydrophobicContact CB-CG 4.38Å; A770-F788 HydrophobicContact CB-CZ 4.46Å
771	H	95.5	Very high	95	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.056	14%	0.139	C	C	.	.			trans	-53	135.4	179.6	-69.4	166.1	0	0	0	112.8	I767 N768 F773 S776 N777 N780 F788	I767-H771 WeakPolarHBondContact CG2-NE2 3.34Å; I767-H771 PolarHBondContact O-CD2 3.37Å; I767-H771 VanDerWaalsContact O-CD2 3.29Å; I767-H771 PolarHBondContact O-N 3.3Å; I767-H771 VanDerWaalsContact O-N 3.16Å; N768-H771 PolarHBondContact OD1-CE1 2.92Å; H771-F773 HydrophobicContact CB-CD1 4.24Å; H771-F773 HydrophobicContact CB-CE1 3.84Å; H771-F773 HydrophobicContact CB-CZ 4.48Å; H771-F773 AromaticContact CD2-CE1 3.85Å; H771-F773 AromaticContact CG-CE1 3.59Å; H771-F773 AromaticContact ND1-CE1 3.75Å; H771-F773 AromaticContact ND1-CZ 3.95Å; H771-S776 PolarHBondContact O-OG 3.5Å; H771-N777 PolarHBondContact O-ND2 3.12Å; H771-N780 WeakPolarHBondContact O-CB 3.46Å; H771-F788 PolarHBondContact CD2-O 3.39Å; H771-F788 PolarHBondContact NE2-O 2.84Å; H771-F788 VanDerWaalsContact NE2-O 3.1Å
772	D	93.9	Very high	95.3	Very high	74 Å²	74	19.5 Å²	19.5	40%	0.396	12%	0.117	S	C	.	.			trans	-127.5	1.2	-175.8	66.9	-20.5	0	0	0	114	A770 P784	A770-D772 PolarHBondContact O-N 2.82Å; D772-P784 HydrophobicContact CB-CG 4.15Å
773	F	93.4	Very high	95.4	Very high	19 Å²	19	20.7 Å²	20.7	8%	0.083	12%	0.123	C	C	.	.	S	Bend	trans	-79.3	158.7	-179.9	62.5	-98.7	0	0	0	113.1	H771 G775 S776 R791 G794 W929	H771-F773 HydrophobicContact CB-CD1 4.24Å; H771-F773 HydrophobicContact CB-CE1 3.84Å; H771-F773 HydrophobicContact CB-CZ 4.48Å; H771-F773 AromaticContact CD2-CE1 3.85Å; H771-F773 AromaticContact CG-CE1 3.59Å; H771-F773 AromaticContact ND1-CE1 3.75Å; H771-F773 AromaticContact ND1-CZ 3.95Å; F773-G775 PolarHBondContact O-N 2.84Å; F773-S776 PolarHBondContact N-OG 2.83Å; F773-S776 WeakPolarHBondContact O-CB 3.35Å; F773-S776 PolarHBondContact O-N 2.83Å; F773-S776 PolarHBondContact O-OG 2.81Å; F773-R791 HydrophobicContact CB-CB 4.28Å; F773-R791 HydrophobicContact CD2-CB 4.45Å; F773-G794 VanDerWaalsContact CZ-C 3.47Å; F773-W929 HydrophobicContact CD2-CZ3 4.44Å; F773-W929 HydrophobicContact CE2-CH2 4.12Å; F773-W929 AromaticContact CE2-CZ3 3.99Å; F773-W929 HydrophobicContact CE2-CZ3 3.99Å
774	V	93.7	Very high	95.4	Very high	12 Å²	12	20.1 Å²	20.1	7%	0.073	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	124.6	-179.2	179.8	0	0	0	0	111.7	N892 F893 I926	V774-N892 HydrophobicContact CG2-CB 3.82Å; V774-F893 HydrophobicContact CG1-CB 3.83Å; V774-F893 HydrophobicContact CG1-CD2 3.96Å; V774-F893 HydrophobicContact CG1-CG 4.37Å; V774-I926 HydrophobicContact CG1-CD1 3.87Å
775	G	91.9	Very high	95.3	Very high	22 Å²	22	21 Å²	21	23%	0.227	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	2.1	-177.7	0	0	0	0	0	114.8	F773	F773-G775 PolarHBondContact O-N 2.84Å
776	S	94.6	Very high	95.2	Very high	18 Å²	18	22.4 Å²	22.4	13%	0.126	14%	0.142	C	C	.	.	S	Bend	trans	-97	-121.4	169.3	70.6	0	0	0	0	111.5	H771 F773 N864	H771-S776 PolarHBondContact O-OG 3.5Å; F773-S776 PolarHBondContact N-OG 2.83Å; F773-S776 WeakPolarHBondContact O-CB 3.35Å; F773-S776 PolarHBondContact O-N 2.83Å; F773-S776 PolarHBondContact O-OG 2.81Å; S776-N864 PolarHBondContact O-ND2 2.85Å
777	N	96.2	Very high	95	Very high	27 Å²	27	26.7 Å²	26.7	14%	0.144	16%	0.161	C	C	.	.			trans	-86.7	138.1	179.8	-55.5	-56.5	0	0	0	111.1	N768 H771 N780	N768-N777 PolarHBondContact O-ND2 3.02Å; H771-N777 PolarHBondContact O-ND2 3.12Å; N777-N780 HydrophobicContact CB-CB 4.33Å
778	N	96.2	Very high	95	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	-74.9	-34.9	168	-76.4	-5.6	0	0	0	111	I848 N849 N864 Y865 W889 Y890 K891	N778-I848 HydrophobicContact CB-CG2 4.12Å; N778-I848 WeakPolarHBondContact CB-O 3.4Å; N778-I848 PolarHBondContact ND2-O 2.86Å; N778-N849 PolarHBondContact N-OD1 3.27Å; N778-N864 WeakPolarHBondContact ND2-CB 3.4Å; N778-Y865 PolarHBondContact ND2-O 3.36Å; N778-W889 HydrophobicContact CB-CZ3 4.3Å; N778-W889 VanDerWaalsContact ND2-CE3 3.31Å; N778-W889 PolarHBondContact ND2-O 3.15Å; N778-Y890 WeakPolarHBondContact OD1-CA 3.43Å; N778-K891 VanDerWaalsContact O-CD 3.29Å; N778-K891 WeakPolarHBondContact O-CD 3.37Å; N778-K891 PolarHBondContact OD1-N 3.2Å
779	V	96.4	Very high	94.8	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	14%	0.137	C	C	.	.	S	Bend	trans	-131.7	99.2	172.2	-177.2	0	0	0	0	107.8	L781 V811 L815 I848 N849 P867 L1177	V779-L781 PolarHBondContact O-N 3.3Å; V779-V811 HydrophobicContact CG1-CB 4.39Å; V779-V811 HydrophobicContact CG1-CG1 3.8Å; V779-L815 HydrophobicContact CG1-CD1 3.96Å; V779-I848 HydrophobicContact CB-CG2 3.94Å; V779-I848 HydrophobicContact CG2-CG2 3.73Å; V779-N849 PolarHBondContact N-OD1 3.09Å; V779-N849 PolarHBondContact O-ND2 3.13Å; V779-N849 PolarHBondContact O-OD1 3.37Å; V779-P867 HydrophobicContact CG2-CG 3.97Å; V779-L1177 HydrophobicContact CG2-CD1 4.16Å
780	N	95.8	Very high	94.7	Very high	4 Å²	4	22 Å²	22	2%	0.021	14%	0.138	C	C	.	.			trans	-64.9	122.7	174.7	56.3	-50.9	0	0	0	110.1	H771 N777 L782 N809	H771-N780 WeakPolarHBondContact O-CB 3.46Å; N777-N780 HydrophobicContact CB-CB 4.33Å; N780-L782 WeakPolarHBondContact CB-O 3.21Å; N780-L782 PolarHBondContact ND2-O 3.22Å; N780-L782 PolarHBondContact O-N 3.41Å; N780-N809 WeakPolarHBondContact O-CB 3.4Å; N780-N809 PolarHBondContact O-ND2 3.3Å; N780-N809 PolarHBondContact OD1-ND2 3.2Å
781	L	96.4	Very high	94.5	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	14%	0.139	C	C	.	.	S	Bend	trans	-72.6	-22.5	-176.4	-60.1	-172.4	0	0	0	112.2	L720 M728 L769 V779 N809 T812 L815 F816	L720-L781 HydrophobicContact CD2-CD1 4.09Å; M728-L781 HydrophobicContact CG-CD1 4.42Å; M728-L781 HydrophobicContact SD-CB 4.1Å; M728-L781 HydrophobicContact SD-CD1 3.99Å; L769-L781 HydrophobicContact CD2-CD1 4.18Å; L769-L781 PolarHBondContact O-N 3.11Å; L769-L781 VanDerWaalsContact O-N 3.12Å; V779-L781 PolarHBondContact O-N 3.3Å; L781-N809 WeakPolarHBondContact O-CB 3.32Å; L781-N809 PolarHBondContact O-N 3.15Å; L781-N809 VanDerWaalsContact O-N 3.13Å; L781-T812 VanDerWaalsContact C-OG1 3.32Å; L781-T812 VanDerWaalsContact CA-OG1 3.24Å; L781-T812 WeakPolarHBondContact CA-OG1 3.45Å; L781-T812 HydrophobicContact CB-CG2 4.24Å; L781-T812 HydrophobicContact CD2-CG2 4.15Å; L781-T812 PolarHBondContact O-OG1 3.36Å; L781-L815 HydrophobicContact CD2-CD1 4.3Å; L781-F816 HydrophobicContact CD1-CE2 4.31Å; L781-F816 HydrophobicContact CD2-CE2 4.22Å
782	L	96.2	Very high	94.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.5	176.6	-61.3	-179.3	0	0	0	109.6	V727 I766 L769 A770 N780 T806 M807 L808	V727-L782 HydrophobicContact CG1-CD1 4.15Å; I766-L782 HydrophobicContact CG2-CD1 3.87Å; L769-L782 HydrophobicContact CB-CD1 4.07Å; L769-L782 HydrophobicContact CB-CG 4.28Å; L769-L782 PolarHBondContact O-N 3.32Å; A770-L782 WeakPolarHBondContact CA-O 3.5Å; A770-L782 HydrophobicContact CB-CB 3.95Å; N780-L782 WeakPolarHBondContact CB-O 3.21Å; N780-L782 PolarHBondContact ND2-O 3.22Å; N780-L782 PolarHBondContact O-N 3.41Å; L782-T806 WeakPolarHBondContact CB-OG1 3.34Å; L782-M807 CarbonylContact C-O 3.48Å; L782-M807 WeakPolarHBondContact CA-O 3.19Å; L782-L808 HydrophobicContact CD2-CD1 4.27Å
783	L	94.6	Very high	94.3	Very high	25 Å²	25	24.1 Å²	24.1	13%	0.131	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.6	176.3	-66.6	177.9	0	0	0	111	V785 T806 M807 N809	L783-V785 HydrophobicContact CB-CG2 4.49Å; L783-V785 PolarHBondContact O-N 2.85Å; L783-T806 WeakPolarHBondContact O-CA 3.45Å; L783-T806 WeakPolarHBondContact O-CB 3.42Å; L783-T806 PolarHBondContact O-OG1 2.95Å; L783-M807 HydrophobicContact CB-CG 4.09Å; L783-M807 HydrophobicContact CD1-CG 3.88Å; L783-M807 HydrophobicContact CD1-SD 4.12Å; L783-M807 HydrophobicContact CG-CG 4.33Å; L783-M807 PolarHBondContact N-O 3.31Å; L783-N809 HydrophobicContact CD2-CB 4.02Å; L783-N809 HydrophobicContact CG-CB 4.08Å
784	P	94.5	Very high	94.3	Very high	30 Å²	30	24.1 Å²	24.1	20%	0.195	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	96.7	175.4	31.5	-31.1	0	0	0	110.3	A770 D772 F788	A770-P784 HydrophobicContact CB-CB 4.32Å; A770-P784 WeakPolarHBondContact O-CB 3.31Å; A770-P784 WeakPolarHBondContact O-CD 3.31Å; A770-P784 WeakPolarHBondContact O-CG 3.33Å; D772-P784 HydrophobicContact CB-CG 4.15Å; P784-F788 HydrophobicContact CB-CB 3.7Å; P784-F788 HydrophobicContact CB-CD1 4.33Å; P784-F788 HydrophobicContact CB-CD2 3.68Å; P784-F788 HydrophobicContact CB-CE2 4.4Å; P784-F788 HydrophobicContact CB-CG 3.63Å
785	V	93.6	Very high	94.3	Very high	48 Å²	48	23.9 Å²	23.9	29%	0.291	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	96.9	176.5	-170.8	0	0	0	0	110.3	E739 L783 F805	E739-V785 WeakPolarHBondContact OE2-CG1 3.43Å; L783-V785 HydrophobicContact CB-CG2 4.49Å; L783-V785 PolarHBondContact O-N 2.85Å; V785-F805 CarbonylContact C-O 3.56Å; V785-F805 WeakPolarHBondContact CA-O 3.17Å; V785-F805 HydrophobicContact CB-CB 4.05Å; V785-F805 VanDerWaalsContact CB-O 3.32Å; V785-F805 WeakPolarHBondContact CB-O 3.42Å; V785-F805 HydrophobicContact CG1-CB 4.35Å; V785-F805 PolarHBondContact N-O 3.01Å; V785-F805 PolarHBondContact O-N 3.17Å
786	G	92.4	Very high	94.3	Very high	55 Å²	55	31.2 Å²	31.2	57%	0.567	18%	0.178	S	C	*	.	S	Bend	trans	113.6	-164.1	-173	0	0	0	0	0	111.7	F788	G786-F788 PolarHBondContact O-N 3.03Å; G786-F788 VanDerWaalsContact O-N 3.09Å
787	Q	93.6	Very high	94.3	Very high	89 Å²	89	32.3 Å²	32.3	42%	0.416	18%	0.182	S	C	.	.			trans	-81.9	87.9	-177.7	-178.8	53.5	-76.2	0	0	111.7	G789 A799	Q787-G789 PolarHBondContact O-N 3.41Å; Q787-A799 HydrophobicContact CB-CB 4.16Å; Q787-A799 PolarHBondContact O-N 3.45Å
788	F	95.2	Very high	94.2	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.018	19%	0.186	C	C	.	.			trans	-83.9	9	175.8	-86	-106	0	0	0	113.8	V742 I767 A770 H771 P784 G786 A798 I804 F805	V742-F788 HydrophobicContact CG2-CE1 3.89Å; V742-F788 HydrophobicContact CG2-CZ 3.55Å; I767-F788 HydrophobicContact CB-CD1 4.25Å; I767-F788 HydrophobicContact CG1-CD1 4.2Å; I767-F788 HydrophobicContact CG1-CE1 4.15Å; I767-F788 HydrophobicContact CG2-CD1 4.1Å; A770-F788 HydrophobicContact CB-CD1 3.54Å; A770-F788 HydrophobicContact CB-CE1 3.59Å; A770-F788 HydrophobicContact CB-CG 4.38Å; A770-F788 HydrophobicContact CB-CZ 4.46Å; H771-F788 PolarHBondContact CD2-O 3.39Å; H771-F788 PolarHBondContact NE2-O 2.84Å; H771-F788 VanDerWaalsContact NE2-O 3.1Å; P784-F788 HydrophobicContact CB-CB 3.7Å; P784-F788 HydrophobicContact CB-CD1 4.33Å; P784-F788 HydrophobicContact CB-CD2 3.68Å; P784-F788 HydrophobicContact CB-CE2 4.4Å; P784-F788 HydrophobicContact CB-CG 3.63Å; G786-F788 PolarHBondContact O-N 3.03Å; G786-F788 VanDerWaalsContact O-N 3.09Å; F788-A798 WeakPolarHBondContact O-CB 3.48Å; F788-I804 HydrophobicContact CD1-CD1 4.14Å; F788-I804 HydrophobicContact CD2-CB 4.16Å; F788-I804 HydrophobicContact CD2-CD1 4.22Å; F788-I804 HydrophobicContact CD2-CG2 4.42Å; F788-I804 HydrophobicContact CE1-CD1 3.91Å; F788-I804 HydrophobicContact CE2-CB 3.58Å; F788-I804 HydrophobicContact CE2-CD1 3.97Å; F788-I804 HydrophobicContact CE2-CG1 4.14Å; F788-I804 HydrophobicContact CE2-CG2 4.3Å; F788-I804 HydrophobicContact CG-CD1 4.3Å; F788-I804 HydrophobicContact CZ-CB 4.01Å; F788-I804 HydrophobicContact CZ-CD1 3.8Å; F788-I804 HydrophobicContact CZ-CG1 4.09Å; F788-F805 WeakPolarHBondContact CE2-O 3.17Å; F788-F805 WeakPolarHBondContact CZ-O 3.26Å
789	G	93.3	Very high	94.1	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	20%	0.198	C	C	.	.			trans	94	159.2	-177.1	0	0	0	0	0	111	Q787 D797	Q787-G789 PolarHBondContact O-N 3.41Å; G789-D797 WeakPolarHBondContact CA-OD1 3.22Å
790	T	94.2	Very high	94	Very high	8 Å²	8	36.7 Å²	36.7	5%	0.049	22%	0.219	C	C	.	.			trans	-128.8	175.8	-166.6	76	0	0	0	0	111.5	L792 G794 G795 D797 D961	T790-L792 PolarHBondContact O-N 2.7Å; T790-L792 VanDerWaalsContact OG1-CB 3.31Å; T790-L792 WeakPolarHBondContact OG1-CB 3.24Å; T790-L792 WeakPolarHBondContact OG1-CG 3.39Å; T790-L792 PolarHBondContact OG1-N 3.18Å; T790-L792 VanDerWaalsContact OG1-N 3.13Å; T790-G794 PolarHBondContact O-N 3.36Å; T790-G794 VanDerWaalsContact O-N 3.1Å; T790-G795 PolarHBondContact O-N 3.38Å; T790-D797 VanDerWaalsContact CB-OD2 3.31Å; T790-D797 WeakPolarHBondContact CB-OD2 3.49Å; T790-D797 WeakPolarHBondContact CG2-OD2 3.4Å; T790-D797 PolarHBondContact N-OD1 3.42Å; T790-D797 PolarHBondContact N-OD2 2.86Å; T790-D797 PolarHBondContact OG1-OD2 3.48Å; T790-D961 HydrophobicContact CG2-CB 4.01Å
791	R	92.9	Very high	93.8	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.019	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19	173.3	-167	173.8	-177.9	-179	-1.6	112.9	F773 Q793 E923 L924 D961	F773-R791 HydrophobicContact CB-CB 4.28Å; F773-R791 HydrophobicContact CD2-CB 4.45Å; R791-Q793 VanDerWaalsContact C-N 3.34Å; R791-Q793 PolarHBondContact O-N 2.84Å; R791-E923 IonicContact CZ-OE1 3.15Å; R791-E923 IonicContact NH1-OE1 2.62Å; R791-E923 PolarHBondContact NH1-OE1 3.41Å; R791-E923 IonicContact NH1-OE2 2.82Å; R791-E923 PolarHBondContact NH1-OE2 3.31Å; R791-E923 IonicContact NH2-OE1 2.73Å; R791-E923 PolarHBondContact NH2-OE1 2.95Å; R791-L924 PolarHBondContact NH2-O 3.45Å; R791-D961 WeakPolarHBondContact CB-O 3.38Å; R791-D961 PolarHBondContact N-O 3.37Å
792	L	93.4	Very high	93.6	Very high	44 Å²	44	45.8 Å²	45.8	23%	0.23	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-42	-176.5	-62.1	174.4	0	0	0	112.3	T790 W929 T930 Q931	T790-L792 PolarHBondContact O-N 2.7Å; T790-L792 VanDerWaalsContact OG1-CB 3.31Å; T790-L792 WeakPolarHBondContact OG1-CB 3.24Å; T790-L792 WeakPolarHBondContact OG1-CG 3.39Å; T790-L792 PolarHBondContact OG1-N 3.18Å; T790-L792 VanDerWaalsContact OG1-N 3.13Å; L792-W929 WeakPolarHBondContact O-CB 3.48Å; L792-T930 HydrophobicContact CD2-CG2 4.14Å; L792-T930 PolarHBondContact O-N 2.71Å; L792-Q931 VanDerWaalsContact O-CB 3.29Å; L792-Q931 WeakPolarHBondContact O-CB 3.21Å; L792-Q931 PolarHBondContact O-N 2.92Å
793	Q	92.9	Very high	93.4	Very high	82 Å²	82	54.1 Å²	54.1	38%	0.383	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	8.7	-178.7	-58.7	-169.4	-1.6	0	0	113.7	R791 K796 D797 Q931	R791-Q793 VanDerWaalsContact C-N 3.34Å; R791-Q793 PolarHBondContact O-N 2.84Å; Q793-K796 HydrophobicContact CB-CB 4.11Å; Q793-D797 HydrophobicContact CB-CB 4.37Å; Q793-D797 HydrophobicContact CG-CB 4.43Å; Q793-Q931 HydrophobicContact CG-CB 4.33Å
794	G	92.5	Very high	93.5	Very high	18 Å²	18	53 Å²	53	19%	0.186	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	42.5	-178.6	0	0	0	0	0	112.6	F773 T790 K796	F773-G794 VanDerWaalsContact CZ-C 3.47Å; T790-G794 PolarHBondContact O-N 3.36Å; T790-G794 VanDerWaalsContact O-N 3.1Å; G794-K796 PolarHBondContact O-N 3.26Å
795	G	93.1	Very high	93.6	Very high	8 Å²	8	54.4 Å²	54.4	8%	0.082	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-7.3	177.6	0	0	0	0	0	115.9	T790 D797 A798	T790-G795 PolarHBondContact O-N 3.38Å; G795-D797 PolarHBondContact O-N 3.18Å; G795-A798 WeakPolarHBondContact O-CB 3.25Å; G795-A798 PolarHBondContact O-N 2.87Å; G795-A798 VanDerWaalsContact O-N 3.17Å
796	K	92.7	Very high	93.7	Very high	176 Å²	176	52.1 Å²	52.1	77%	0.765	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.3	179.6	-67.3	-177.8	-179.7	177.9	0	114	Q793 G794 A798	Q793-K796 HydrophobicContact CB-CB 4.11Å; G794-K796 PolarHBondContact O-N 3.26Å; K796-A798 VanDerWaalsContact C-N 3.26Å
797	D	93.8	Very high	93.8	Very high	41 Å²	41	52.1 Å²	52.1	22%	0.219	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	10.6	175.8	58.3	-36.6	0	0	0	113	G789 T790 Q793 G795 A799	G789-D797 WeakPolarHBondContact CA-OD1 3.22Å; T790-D797 VanDerWaalsContact CB-OD2 3.31Å; T790-D797 WeakPolarHBondContact CB-OD2 3.49Å; T790-D797 WeakPolarHBondContact CG2-OD2 3.4Å; T790-D797 PolarHBondContact N-OD1 3.42Å; T790-D797 PolarHBondContact N-OD2 2.86Å; T790-D797 PolarHBondContact OG1-OD2 3.48Å; Q793-D797 HydrophobicContact CB-CB 4.37Å; Q793-D797 HydrophobicContact CG-CB 4.43Å; G795-D797 PolarHBondContact O-N 3.18Å; D797-A799 PolarHBondContact O-N 3.12Å
798	A	94.3	Very high	93.9	Very high	28 Å²	28	49 Å²	49	23%	0.231	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-56.8	136.1	170.8	0	0	0	0	0	111.4	I767 F788 G795 K796	I767-A798 HydrophobicContact CG2-CB 3.99Å; F788-A798 WeakPolarHBondContact O-CB 3.48Å; G795-A798 WeakPolarHBondContact O-CB 3.25Å; G795-A798 PolarHBondContact O-N 2.87Å; G795-A798 VanDerWaalsContact O-N 3.17Å; K796-A798 VanDerWaalsContact C-N 3.26Å
799	A	94.7	Very high	93.8	Very high	32 Å²	32	48.9 Å²	48.9	26%	0.264	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-67.5	158.2	174	0	0	0	0	0	110.8	Q787 D797 A801 I804	Q787-A799 HydrophobicContact CB-CB 4.16Å; Q787-A799 PolarHBondContact O-N 3.45Å; D797-A799 PolarHBondContact O-N 3.12Å; A799-A801 PolarHBondContact O-N 2.99Å; A799-I804 HydrophobicContact CB-CG2 3.8Å
800	S	93.9	Very high	93.7	Very high	65 Å²	65	51.4 Å²	51.4	46%	0.455	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-54.4	139.8	176.5	177.2	0	0	0	0	111.3	R802 Y803	S800-R802 PolarHBondContact O-N 3.17Å; S800-Y803 PolarHBondContact O-N 2.81Å
801	A	92	Very high	93.7	Very high	8 Å²	8	51.1 Å²	51.1	7%	0.066	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-14.5	180	0	0	0	0	0	115	V742 A743 M763 A799	V742-A801 HydrophobicContact CB-CB 4.04Å; V742-A801 HydrophobicContact CG1-CB 3.77Å; A743-A801 HydrophobicContact CB-CB 4.36Å; A743-A801 PolarHBondContact N-O 3.44Å; M763-A801 HydrophobicContact CB-CB 4Å; M763-A801 HydrophobicContact CG-CB 3.87Å; M763-A801 HydrophobicContact SD-CB 3.66Å; A799-A801 PolarHBondContact O-N 2.99Å
802	R	92	Very high	93.8	Very high	189 Å²	189	50.9 Å²	50.9	71%	0.713	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.3	175.2	-59.3	-177	-174.8	-170.3	0.5	113.6	A743 S800	A743-R802 HydrophobicContact CB-CG 4.48Å; S800-R802 PolarHBondContact O-N 3.17Å
803	Y	92.7	Very high	93.7	Very high	176 Å²	176	51.1 Å²	51.1	69%	0.69	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-23	-174.8	-60.8	-58.1	0	0	0	114.1	S800	S800-Y803 PolarHBondContact O-N 2.81Å
804	I	96.2	Very high	93.8	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.015	24%	0.237	C	C	.	.			trans	-102.2	148.1	-173	56.1	173.2	0	0	0	111.9	V742 I767 F788 A799	V742-I804 HydrophobicContact CB-CG1 4.18Å; V742-I804 HydrophobicContact CG2-CD1 4.06Å; V742-I804 HydrophobicContact CG2-CG1 3.8Å; V742-I804 PolarHBondContact N-O 2.85Å; I767-I804 HydrophobicContact CD1-CD1 3.92Å; I767-I804 HydrophobicContact CG1-CD1 3.79Å; F788-I804 HydrophobicContact CD1-CD1 4.14Å; F788-I804 HydrophobicContact CD2-CB 4.16Å; F788-I804 HydrophobicContact CD2-CD1 4.22Å; F788-I804 HydrophobicContact CD2-CG2 4.42Å; F788-I804 HydrophobicContact CE1-CD1 3.91Å; F788-I804 HydrophobicContact CE2-CB 3.58Å; F788-I804 HydrophobicContact CE2-CD1 3.97Å; F788-I804 HydrophobicContact CE2-CG1 4.14Å; F788-I804 HydrophobicContact CE2-CG2 4.3Å; F788-I804 HydrophobicContact CG-CD1 4.3Å; F788-I804 HydrophobicContact CZ-CB 4.01Å; F788-I804 HydrophobicContact CZ-CD1 3.8Å; F788-I804 HydrophobicContact CZ-CG1 4.09Å; A799-I804 HydrophobicContact CB-CG2 3.8Å
805	F	96.9	Very high	93.9	Very high	58 Å²	58	46.8 Å²	46.8	25%	0.254	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	155	-175.9	-68	-106.9	0	0	0	110.7	E739 V740 K741 V785 F788	E739-F805 HydrophobicContact CB-CB 4.15Å; E739-F805 HydrophobicContact CB-CD1 4.47Å; E739-F805 HydrophobicContact CG-CB 4.33Å; E739-F805 HydrophobicContact CG-CD1 3.99Å; E739-F805 HydrophobicContact CG-CG 4.45Å; V740-F805 CarbonylContact O-C 3.55Å; V740-F805 VanDerWaalsContact O-CA 3.29Å; V740-F805 WeakPolarHBondContact O-CA 3.39Å; K741-F805 HydrophobicContact CB-CD1 4.44Å; K741-F805 HydrophobicContact CB-CE1 4.42Å; K741-F805 HydrophobicContact CD-CE1 4.15Å; K741-F805 HydrophobicContact CD-CZ 4Å; K741-F805 HydrophobicContact CG-CD1 3.66Å; K741-F805 HydrophobicContact CG-CD2 4.39Å; K741-F805 HydrophobicContact CG-CE1 3.25Å; K741-F805 HydrophobicContact CG-CE2 4.04Å; K741-F805 HydrophobicContact CG-CG 4.23Å; K741-F805 HydrophobicContact CG-CZ 3.48Å; K741-F805 VanDerWaalsContact CG-CZ 3.48Å; V785-F805 CarbonylContact C-O 3.56Å; V785-F805 WeakPolarHBondContact CA-O 3.17Å; V785-F805 HydrophobicContact CB-CB 4.05Å; V785-F805 VanDerWaalsContact CB-O 3.32Å; V785-F805 WeakPolarHBondContact CB-O 3.42Å; V785-F805 HydrophobicContact CG1-CB 4.35Å; V785-F805 PolarHBondContact N-O 3.01Å; V785-F805 PolarHBondContact O-N 3.17Å; F788-F805 WeakPolarHBondContact CE2-O 3.17Å; F788-F805 WeakPolarHBondContact CZ-O 3.26Å
806	T	95.8	Very high	94	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.9	177	-164.8	0	0	0	0	110.9	E739 V740 V742 L745 I766 L782 L783	E739-T806 WeakPolarHBondContact CA-O 3.44Å; V740-T806 PolarHBondContact N-O 3.33Å; V740-T806 PolarHBondContact O-N 3.04Å; V742-T806 HydrophobicContact CG2-CG2 4.11Å; L745-T806 HydrophobicContact CD2-CG2 3.64Å; I766-T806 HydrophobicContact CG2-CG2 3.93Å; L782-T806 WeakPolarHBondContact CB-OG1 3.34Å; L783-T806 WeakPolarHBondContact O-CA 3.45Å; L783-T806 WeakPolarHBondContact O-CB 3.42Å; L783-T806 PolarHBondContact O-OG1 2.95Å
807	M	94.6	Very high	94.1	Very high	54 Å²	54	40.8 Å²	40.8	27%	0.266	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	164.8	171.4	61.8	179.7	-65.8	0	0	109.7	L782 L783 N809	L782-M807 CarbonylContact C-O 3.48Å; L782-M807 WeakPolarHBondContact CA-O 3.19Å; L783-M807 HydrophobicContact CB-CG 4.09Å; L783-M807 HydrophobicContact CD1-CG 3.88Å; L783-M807 HydrophobicContact CD1-SD 4.12Å; L783-M807 HydrophobicContact CG-CG 4.33Å; L783-M807 PolarHBondContact N-O 3.31Å; M807-N809 PolarHBondContact O-N 2.97Å
808	L	94.4	Very high	94	Very high	25 Å²	25	44.2 Å²	44.2	13%	0.131	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	127.1	176	-168.7	71.1	0	0	0	110	M728 C731 F732 L782 T812	M728-L808 HydrophobicContact CE-CD1 3.7Å; C731-L808 HydrophobicContact CB-CD1 4.24Å; F732-L808 HydrophobicContact CD1-CD1 4.35Å; F732-L808 HydrophobicContact CD1-CD2 4.03Å; F732-L808 HydrophobicContact CE1-CD1 3.95Å; F732-L808 HydrophobicContact CE1-CD2 4.03Å; L782-L808 HydrophobicContact CD2-CD1 4.27Å; L808-T812 HydrophobicContact CD1-CG2 3.74Å; L808-T812 HydrophobicContact CG-CG2 4.45Å
809	N	93.4	Very high	93.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.218	C	C	.	.			trans	-66.4	131	174.1	-174.8	-25.6	0	0	0	109.2	N780 L781 L783 M807 V811 T812	N780-N809 WeakPolarHBondContact O-CB 3.4Å; N780-N809 PolarHBondContact O-ND2 3.3Å; N780-N809 PolarHBondContact OD1-ND2 3.2Å; L781-N809 WeakPolarHBondContact O-CB 3.32Å; L781-N809 PolarHBondContact O-N 3.15Å; L781-N809 VanDerWaalsContact O-N 3.13Å; L783-N809 HydrophobicContact CD2-CB 4.02Å; L783-N809 HydrophobicContact CG-CB 4.08Å; M807-N809 PolarHBondContact O-N 2.97Å; N809-V811 PolarHBondContact O-N 3.36Å; N809-V811 PolarHBondContact OD1-N 2.71Å; N809-T812 WeakPolarHBondContact O-CA 3.37Å; N809-T812 WeakPolarHBondContact O-CB 3.27Å; N809-T812 PolarHBondContact O-N 2.62Å; N809-T812 PolarHBondContact O-OG1 2.83Å
810	P	90.7	Very high	93.8	Very high	58 Å²	58	43.4 Å²	43.4	38%	0.377	21%	0.206	S	C	.	.	H	α-helix	trans	-50.5	-38.9	176.2	-29.8	36.1	0	0	0	113.7	T812 R813	P810-T812 PolarHBondContact O-N 2.68Å; P810-R813 PolarHBondContact O-N 3.45Å; P810-R813 VanDerWaalsContact O-N 3.1Å
811	V	94.6	Very high	93.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-31.3	176.8	-177.4	0	0	0	0	111.7	V779 N809 R813 A814 L815 F1173 E1176 L1177 Q1180	V779-V811 HydrophobicContact CG1-CB 4.39Å; V779-V811 HydrophobicContact CG1-CG1 3.8Å; N809-V811 PolarHBondContact O-N 3.36Å; N809-V811 PolarHBondContact OD1-N 2.71Å; V811-R813 VanDerWaalsContact C-N 3.28Å; V811-R813 PolarHBondContact O-N 3.25Å; V811-A814 WeakPolarHBondContact O-CB 3.38Å; V811-A814 PolarHBondContact O-N 3.03Å; V811-A814 VanDerWaalsContact O-N 3.14Å; V811-L815 PolarHBondContact O-N 3.11Å; V811-F1173 HydrophobicContact CG1-CD2 4.02Å; V811-F1173 HydrophobicContact CG1-CE2 3.61Å; V811-E1176 HydrophobicContact CG2-CB 4.39Å; V811-L1177 HydrophobicContact CG1-CD1 4.41Å; V811-Q1180 HydrophobicContact CG2-CB 3.63Å; V811-Q1180 HydrophobicContact CG2-CG 4.04Å
812	T	95.3	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-33.4	178.5	-54.3	0	0	0	0	112.4	M728 F732 L781 L808 N809 P810 A814 L815 F816	M728-T812 HydrophobicContact CE-CG2 3.47Å; M728-T812 VanDerWaalsContact CE-CG2 3.47Å; F732-T812 HydrophobicContact CE1-CG2 4.21Å; F732-T812 HydrophobicContact CZ-CG2 4.28Å; L781-T812 VanDerWaalsContact C-OG1 3.32Å; L781-T812 VanDerWaalsContact CA-OG1 3.24Å; L781-T812 WeakPolarHBondContact CA-OG1 3.45Å; L781-T812 HydrophobicContact CB-CG2 4.24Å; L781-T812 HydrophobicContact CD2-CG2 4.15Å; L781-T812 PolarHBondContact O-OG1 3.36Å; L808-T812 HydrophobicContact CD1-CG2 3.74Å; L808-T812 HydrophobicContact CG-CG2 4.45Å; N809-T812 WeakPolarHBondContact O-CA 3.37Å; N809-T812 WeakPolarHBondContact O-CB 3.27Å; N809-T812 PolarHBondContact O-N 2.62Å; N809-T812 PolarHBondContact O-OG1 2.83Å; P810-T812 PolarHBondContact O-N 2.68Å; T812-A814 VanDerWaalsContact C-N 3.34Å; T812-L815 PolarHBondContact O-N 2.96Å; T812-F816 HydrophobicContact CG2-CD2 3.77Å; T812-F816 HydrophobicContact CG2-CE2 4.21Å; T812-F816 WeakPolarHBondContact O-CD2 3.48Å; T812-F816 PolarHBondContact O-N 2.95Å
813	R	91.9	Very high	93.6	Very high	49 Å²	49	37.8 Å²	37.8	19%	0.185	19%	0.189	C	C	.	.	H	α-helix	trans	-75.4	-27	177.3	-166.3	66.5	80.7	176.2	11.7	112	N735 P810 V811 F816	N735-R813 PolarHBondContact OD1-NH2 2.69Å; P810-R813 PolarHBondContact O-N 3.45Å; P810-R813 VanDerWaalsContact O-N 3.1Å; V811-R813 VanDerWaalsContact C-N 3.28Å; V811-R813 PolarHBondContact O-N 3.25Å; R813-F816 CarbonylContact O-C 3.56Å; R813-F816 VanDerWaalsContact O-O 3.12Å
814	A	93.9	Very high	93.6	Very high	8 Å²	8	30.1 Å²	30.1	7%	0.066	16%	0.16	C	C	.	.	H	α-helix	trans	-71.8	-35.5	168.8	0	0	0	0	0	111.7	V811 T812 I842 F1173 E1176	V811-A814 WeakPolarHBondContact O-CB 3.38Å; V811-A814 PolarHBondContact O-N 3.03Å; V811-A814 VanDerWaalsContact O-N 3.14Å; T812-A814 VanDerWaalsContact C-N 3.34Å; A814-I842 WeakPolarHBondContact O-CD1 3.43Å; A814-F1173 HydrophobicContact CB-CB 4.31Å; A814-F1173 HydrophobicContact CB-CD2 4.45Å; A814-E1176 HydrophobicContact CB-CB 4.3Å; A814-E1176 HydrophobicContact CB-CG 4.24Å
815	L	95.3	Very high	93.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-68.1	-43.7	173.6	-80.3	170.4	0	0	0	112.8	V779 L781 V811 T812 P841 I842 L843 T845 I848 F1173	V779-L815 HydrophobicContact CG1-CD1 3.96Å; L781-L815 HydrophobicContact CD2-CD1 4.3Å; V811-L815 PolarHBondContact O-N 3.11Å; T812-L815 PolarHBondContact O-N 2.96Å; L815-P841 CarbonylContact O-C 3.6Å; L815-P841 WeakPolarHBondContact O-CA 3.23Å; L815-I842 HydrophobicContact CD2-CG1 4.12Å; L815-I842 PolarHBondContact O-N 2.89Å; L815-L843 HydrophobicContact CD2-CB 4.14Å; L815-L843 HydrophobicContact CD2-CD1 4.22Å; L815-L843 HydrophobicContact CD2-CG 4.38Å; L815-T845 HydrophobicContact CD1-CG2 4.37Å; L815-I848 HydrophobicContact CD2-CD1 4.1Å; L815-F1173 HydrophobicContact CD1-CE2 4.03Å; L815-F1173 HydrophobicContact CD2-CD2 3.75Å; L815-F1173 HydrophobicContact CD2-CE2 3.47Å; L815-F1173 VanDerWaalsContact CD2-CE2 3.47Å; L815-F1173 HydrophobicContact CD2-CZ 4.12Å; L815-F1173 HydrophobicContact CG-CD2 3.77Å; L815-F1173 HydrophobicContact CG-CE2 3.54Å
816	F	95.6	Very high	93	Very high	10 Å²	10	32.6 Å²	32.6	4%	0.044	17%	0.174	C	C	.	.	S	Bend	trans	-114.2	85.5	-178.1	-63.6	-83.1	0	0	0	110.2	D718 F732 L781 T812 R813 Y839 P841 T845	D718-F816 HydrophobicContact CB-CE1 4.37Å; F732-F816 HydrophobicContact CE1-CB 4.34Å; F732-F816 HydrophobicContact CE2-CB 4.09Å; F732-F816 HydrophobicContact CE2-CG 4.23Å; F732-F816 HydrophobicContact CZ-CB 3.55Å; F732-F816 AromaticContact CZ-CD2 3.92Å; F732-F816 HydrophobicContact CZ-CD2 3.92Å; F732-F816 AromaticContact CZ-CG 3.76Å; F732-F816 HydrophobicContact CZ-CG 3.76Å; L781-F816 HydrophobicContact CD1-CE2 4.31Å; L781-F816 HydrophobicContact CD2-CE2 4.22Å; T812-F816 HydrophobicContact CG2-CD2 3.77Å; T812-F816 HydrophobicContact CG2-CE2 4.21Å; T812-F816 WeakPolarHBondContact O-CD2 3.48Å; T812-F816 PolarHBondContact O-N 2.95Å; R813-F816 CarbonylContact O-C 3.56Å; R813-F816 VanDerWaalsContact O-O 3.12Å; F816-Y839 HydrophobicContact CD1-CD1 4.36Å; F816-Y839 HydrophobicContact CD1-CG 4.13Å; F816-Y839 HydrophobicContact CE1-CG 4.25Å; F816-P841 HydrophobicContact CD1-CB 4Å; F816-P841 HydrophobicContact CE1-CB 3.67Å; F816-P841 HydrophobicContact CE1-CG 4.02Å; F816-P841 HydrophobicContact CZ-CB 4.03Å; F816-P841 HydrophobicContact CZ-CG 4.41Å; F816-T845 HydrophobicContact CE2-CG2 4.42Å; F816-T845 HydrophobicContact CZ-CG2 4.2Å
817	H	93.3	Very high	92.7	Very high	49 Å²	49	35.5 Å²	35.5	23%	0.227	19%	0.189	C	C	.	.			trans	-75.5	131.5	-171	-174.4	-37.2	0	0	0	111.5	S819 D820 R1030 D1169	H817-S819 VanDerWaalsContact C-N 3.35Å; H817-S819 PolarHBondContact CE1-OG 3.44Å; H817-S819 VanDerWaalsContact CE1-OG 3.31Å; H817-S819 PolarHBondContact ND1-N 3.22Å; H817-S819 PolarHBondContact O-N 2.88Å; H817-D820 WeakPolarHBondContact O-CB 3.48Å; H817-D820 PolarHBondContact O-N 2.97Å; H817-R1030 PolarHBondContact CD2-NH1 3.16Å; H817-R1030 VanDerWaalsContact CD2-NH1 3.33Å; H817-R1030 PolarHBondContact ND1-NH2 3.3Å; H817-R1030 PolarHBondContact O-NH2 3.05Å; H817-D1169 IonicContact CD2-OD1 2.72Å; H817-D1169 PolarHBondContact CD2-OD1 3.49Å; H817-D1169 VanDerWaalsContact CD2-OD1 3.29Å; H817-D1169 IonicContact CD2-OD2 3.96Å; H817-D1169 IonicContact NE2-OD1 3.97Å
818	E	91.8	Very high	92.1	Very high	113 Å²	113	37 Å²	37	53%	0.528	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57.1	-39.1	-170.2	-170.6	171.8	-177.8	0	0	114.5	D820 I821	E818-D820 PolarHBondContact O-N 2.85Å; E818-I821 HydrophobicContact CG-CD1 4.05Å; E818-I821 WeakPolarHBondContact O-CB 3.44Å; E818-I821 VanDerWaalsContact O-CG1 3.29Å; E818-I821 WeakPolarHBondContact O-CG1 3.34Å; E818-I821 PolarHBondContact O-N 2.82Å
819	S	92.1	Very high	91.3	Very high	38 Å²	38	37.5 Å²	37.5	27%	0.266	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-62.9	-7.4	176.5	-46.7	0	0	0	0	115.2	H817	H817-S819 VanDerWaalsContact C-N 3.35Å; H817-S819 PolarHBondContact CE1-OG 3.44Å; H817-S819 VanDerWaalsContact CE1-OG 3.31Å; H817-S819 PolarHBondContact ND1-N 3.22Å; H817-S819 PolarHBondContact O-N 2.88Å
820	D	93.2	Very high	90.3	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.027	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-81.9	-23.6	172.1	-69.7	-30.5	0	0	0	112.9	H817 E818 P822 C823 R1023 R1030	H817-D820 WeakPolarHBondContact O-CB 3.48Å; H817-D820 PolarHBondContact O-N 2.97Å; E818-D820 PolarHBondContact O-N 2.85Å; D820-P822 VanDerWaalsContact C-CD 3.45Å; D820-P822 VanDerWaalsContact C-N 3.34Å; D820-C823 WeakPolarHBondContact O-CA 3.39Å; D820-C823 WeakPolarHBondContact O-CB 3.4Å; D820-C823 PolarHBondContact O-N 2.87Å; D820-R1023 IonicContact OD1-NH1 3.97Å; D820-R1023 IonicContact OD1-NH2 2.75Å; D820-R1023 IonicContact OD2-CZ 2.61Å; D820-R1023 VanDerWaalsContact OD2-CZ 3.26Å; D820-R1023 IonicContact OD2-NH1 3.56Å; D820-R1023 PolarHBondContact OD2-NH1 3.06Å; D820-R1023 IonicContact OD2-NH2 3.26Å; D820-R1023 PolarHBondContact OD2-NH2 3.08Å; D820-R1030 VanDerWaalsContact N-NH2 3.16Å; D820-R1030 IonicContact OD1-CZ 3.79Å; D820-R1030 IonicContact OD1-NE 3.15Å; D820-R1030 PolarHBondContact OD1-NE 3.13Å; D820-R1030 IonicContact OD1-NH2 2.67Å; D820-R1030 PolarHBondContact OD1-NH2 3.34Å; D820-R1030 VanDerWaalsContact OD1-NH2 3.09Å; D820-R1030 IonicContact OD2-CZ 2.75Å; D820-R1030 IonicContact OD2-NH2 2.73Å; D820-R1030 PolarHBondContact OD2-NH2 3.11Å; D820-R1030 VanDerWaalsContact OD2-NH2 3.16Å
821	I	91.6	Very high	89.5	Confident	53 Å²	53	39.8 Å²	39.8	27%	0.272	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-51.1	-45.7	-174	-67.5	172.2	0	0	0	112.6	E818 C823 L824 F826	E818-I821 HydrophobicContact CG-CD1 4.05Å; E818-I821 WeakPolarHBondContact O-CB 3.44Å; E818-I821 VanDerWaalsContact O-CG1 3.29Å; E818-I821 WeakPolarHBondContact O-CG1 3.34Å; E818-I821 PolarHBondContact O-N 2.82Å; I821-C823 PolarHBondContact O-N 2.91Å; I821-C823 VanDerWaalsContact O-N 3.14Å; I821-L824 PolarHBondContact O-N 3.12Å; I821-F826 HydrophobicContact CG2-CE2 4.27Å; I821-F826 HydrophobicContact CG2-CZ 4.01Å
822	P	89.3	Confident	88.7	Confident	73 Å²	73	42.9 Å²	42.9	47%	0.474	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-68	-11.7	-179.8	-21.3	35.7	0	0	0	114.7	D820 H1033	D820-P822 VanDerWaalsContact C-CD 3.45Å; D820-P822 VanDerWaalsContact C-N 3.34Å; P822-H1033 WeakPolarHBondContact CB-CE1 3.29Å; P822-H1033 WeakPolarHBondContact CB-NE2 3.24Å; P822-H1033 WeakPolarHBondContact CG-NE2 3.45Å
823	C	91.8	Very high	88.3	Confident	17 Å²	17	48.3 Å²	48.3	12%	0.115	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-98	-0.4	179.4	-57.6	0	0	0	0	112.7	D820 I821 M1026 K1029	D820-C823 WeakPolarHBondContact O-CA 3.39Å; D820-C823 WeakPolarHBondContact O-CB 3.4Å; D820-C823 PolarHBondContact O-N 2.87Å; I821-C823 PolarHBondContact O-N 2.91Å; I821-C823 VanDerWaalsContact O-N 3.14Å; C823-M1026 HydrophobicContact CB-CE 3.63Å; C823-K1029 HydrophobicContact CB-CB 4.21Å
824	L	92.8	Very high	88.2	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.084	23%	0.234	C	C	.	.	S	Bend	trans	-91	147	-178.2	-56.2	177.7	0	0	0	111.4	I821 F826 P836 Y839 C840 M1026	I821-L824 PolarHBondContact O-N 3.12Å; L824-F826 HydrophobicContact CB-CE2 4.14Å; L824-F826 WeakPolarHBondContact O-CD2 3.35Å; L824-P836 HydrophobicContact CB-CB 3.94Å; L824-P836 HydrophobicContact CD1-CB 4.31Å; L824-P836 HydrophobicContact CD1-CG 4.02Å; L824-Y839 HydrophobicContact CD1-CD1 3.6Å; L824-Y839 HydrophobicContact CD1-CE1 3.87Å; L824-Y839 HydrophobicContact CD1-CG 4.43Å; L824-C840 HydrophobicContact CD2-CB 4.46Å; L824-M1026 HydrophobicContact CD2-CE 3.78Å
825	N	90.5	Very high	88.2	Confident	74 Å²	74	46.3 Å²	46.3	40%	0.396	23%	0.233	S	C	.	.			trans	-88.5	110.7	175.3	-64.8	-8.6	0	0	0	109.5	P836 E837	N825-P836 CarbonylContact O-C 3.35Å; N825-P836 WeakPolarHBondContact O-CA 3.45Å; N825-P836 WeakPolarHBondContact O-CB 3.44Å; N825-E837 PolarHBondContact O-N 3.32Å
826	F	91.3	Very high	88.1	Confident	38 Å²	38	46.3 Å²	46.3	17%	0.167	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.7	-179.5	-77.4	-86	0	0	0	112.1	F729 I821 L824 R833 I834 P836	F729-F826 HydrophobicContact CD2-CE1 4.17Å; F729-F826 HydrophobicContact CE2-CD1 4.33Å; F729-F826 AromaticContact CE2-CE1 3.79Å; F729-F826 HydrophobicContact CE2-CE1 3.79Å; I821-F826 HydrophobicContact CG2-CE2 4.27Å; I821-F826 HydrophobicContact CG2-CZ 4.01Å; L824-F826 HydrophobicContact CB-CE2 4.14Å; L824-F826 WeakPolarHBondContact O-CD2 3.35Å; F826-R833 HydrophobicContact CB-CG 3.77Å; F826-R833 HydrophobicContact CD1-CG 4.17Å; F826-R833 HydrophobicContact CG-CG 4.13Å; F826-I834 VanDerWaalsContact CD1-O 3.23Å; F826-I834 WeakPolarHBondContact CD1-O 3.37Å; F826-P836 HydrophobicContact CD1-CB 4.22Å; F826-P836 HydrophobicContact CE1-CB 4.27Å; F826-P836 HydrophobicContact CE1-CG 4.28Å
827	L	88.3	Confident	87.9	Confident	63 Å²	63	47.9 Å²	47.9	33%	0.33	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	157.7	171.3	-63.8	174.2	0	0	0	110.1	I834 E835 E837	L827-I834 VanDerWaalsContact C-CG1 3.49Å; L827-I834 HydrophobicContact CB-CD1 3.85Å; L827-I834 HydrophobicContact CB-CG1 3.74Å; L827-I834 WeakPolarHBondContact O-CG1 3.14Å; L827-I834 PolarHBondContact O-N 2.98Å; L827-E835 WeakPolarHBondContact CB-O 3.42Å; L827-E835 PolarHBondContact N-O 2.9Å; L827-E837 HydrophobicContact CD1-CG 4.44Å; L827-E837 HydrophobicContact CD2-CG 3.63Å; L827-E837 HydrophobicContact CG-CG 3.98Å
828	F	82.6	Confident	88	Confident	85 Å²	85	47.7 Å²	47.7	37%	0.373	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.3	173.9	-70.3	-95.9	0	0	0	109.6	Q832 R833	F828-Q832 WeakPolarHBondContact CA-O 3.13Å; F828-R833 HydrophobicContact CD1-CB 4.18Å; F828-R833 HydrophobicContact CE1-CB 3.75Å; F828-R833 HydrophobicContact CE1-CG 4.1Å; F828-R833 HydrophobicContact CZ-CB 4.26Å; F828-R833 HydrophobicContact CZ-CG 4.11Å
829	D	77.6	Confident	88.2	Confident	36 Å²	36	42.8 Å²	42.8	19%	0.193	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	133.5	171.3	-169.6	15.7	0	0	0	108.6	K612 A754 H756 N831 Q832 I834	K612-D829 IonicContact NZ-OD1 2.69Å; K612-D829 PolarHBondContact NZ-OD1 2.72Å; K612-D829 IonicContact NZ-OD2 2.72Å; K612-D829 PolarHBondContact NZ-OD2 3.04Å; A754-D829 HydrophobicContact CB-CB 4.08Å; H756-D829 IonicContact CD2-OD2 3.68Å; H756-D829 PolarHBondContact CD2-OD2 2.78Å; H756-D829 IonicContact CE1-OD2 3.61Å; H756-D829 IonicContact NE2-OD2 2.71Å; H756-D829 PolarHBondContact NE2-OD2 2.71Å; D829-N831 PolarHBondContact O-N 3.33Å; D829-Q832 PolarHBondContact N-O 2.87Å; D829-Q832 WeakPolarHBondContact O-CA 3.38Å; D829-Q832 VanDerWaalsContact O-CB 3.3Å; D829-Q832 WeakPolarHBondContact O-CB 3.35Å; D829-Q832 PolarHBondContact O-N 3.45Å; D829-I834 HydrophobicContact CB-CD1 3.79Å; D829-I834 HydrophobicContact CB-CG1 4.36Å; D829-I834 HydrophobicContact CB-CG2 4.1Å
830	D	73.5	Confident	88.3	Confident	61 Å²	61	41.1 Å²	41.1	33%	0.326	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	38.7	-171.3	-60.2	-23.8	0	0	0	113.6	Y610 K612 H756 Q832	Y610-D830 WeakPolarHBondContact CB-OD1 3.39Å; Y610-D830 HydrophobicContact CD2-CB 3.83Å; Y610-D830 WeakPolarHBondContact CD2-OD1 3.1Å; Y610-D830 HydrophobicContact CE2-CB 4.17Å; Y610-D830 HydrophobicContact CG-CB 4.45Å; K612-D830 IonicContact NZ-OD1 3.2Å; H756-D830 IonicContact CE1-OD2 2.78Å; D830-Q832 PolarHBondContact O-N 3.05Å; D830-Q832 VanDerWaalsContact O-N 3.12Å
831	N	72.8	Confident	88.5	Confident	45 Å²	45	40.9 Å²	40.9	24%	0.241	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	3.9	-171.2	-65.5	-8.7	0	0	0	115.7	Y610 D829 A1102	Y610-N831 PolarHBondContact OH-OD1 2.65Å; Y610-N831 VanDerWaalsContact OH-OD1 3.06Å; D829-N831 PolarHBondContact O-N 3.33Å; N831-A1102 HydrophobicContact CB-CB 4.43Å
832	Q	78.4	Confident	88.8	Confident	66 Å²	66	38.3 Å²	38.3	31%	0.308	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.8	174.5	-170	-178.3	20.9	0	0	109.9	F828 D829 D830 I834	F828-Q832 WeakPolarHBondContact CA-O 3.13Å; D829-Q832 PolarHBondContact N-O 2.87Å; D829-Q832 WeakPolarHBondContact O-CA 3.38Å; D829-Q832 VanDerWaalsContact O-CB 3.3Å; D829-Q832 WeakPolarHBondContact O-CB 3.35Å; D829-Q832 PolarHBondContact O-N 3.45Å; D830-Q832 PolarHBondContact O-N 3.05Å; D830-Q832 VanDerWaalsContact O-N 3.12Å; Q832-I834 PolarHBondContact O-N 3.43Å
833	R	85.6	Confident	89.1	Confident	114 Å²	114	34.9 Å²	34.9	43%	0.43	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	113.5	170.8	-166	-177.7	77	-177	2.8	110.6	F826 F828	F826-R833 HydrophobicContact CB-CG 3.77Å; F826-R833 HydrophobicContact CD1-CG 4.17Å; F826-R833 HydrophobicContact CG-CG 4.13Å; F828-R833 HydrophobicContact CD1-CB 4.18Å; F828-R833 HydrophobicContact CE1-CB 3.75Å; F828-R833 HydrophobicContact CE1-CG 4.1Å; F828-R833 HydrophobicContact CZ-CB 4.26Å; F828-R833 HydrophobicContact CZ-CG 4.11Å
834	I	90.7	Very high	89.3	Confident	9 Å²	9	34 Å²	34	5%	0.046	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-155.5	179.9	59.7	161.9	0	0	0	110.6	F729 A754 F826 L827 D829 Q832	F729-I834 WeakPolarHBondContact CE2-O 3.47Å; F729-I834 VanDerWaalsContact CZ-O 3.24Å; F729-I834 WeakPolarHBondContact CZ-O 3.37Å; A754-I834 HydrophobicContact CB-CG2 4.06Å; F826-I834 VanDerWaalsContact CD1-O 3.23Å; F826-I834 WeakPolarHBondContact CD1-O 3.37Å; L827-I834 VanDerWaalsContact C-CG1 3.49Å; L827-I834 HydrophobicContact CB-CD1 3.85Å; L827-I834 HydrophobicContact CB-CG1 3.74Å; L827-I834 WeakPolarHBondContact O-CG1 3.14Å; L827-I834 PolarHBondContact O-N 2.98Å; D829-I834 HydrophobicContact CB-CD1 3.79Å; D829-I834 HydrophobicContact CB-CG1 4.36Å; D829-I834 HydrophobicContact CB-CG2 4.1Å; Q832-I834 PolarHBondContact O-N 3.43Å
835	E	93.4	Very high	89.5	Confident	7 Å²	7	33.6 Å²	33.6	3%	0.033	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	158.3	179.5	74.3	-80.3	-166.6	0	0	113.2	R725 K726 F729 L827	R725-E835 HydrophobicContact CB-CG 4.33Å; R725-E835 HydrophobicContact CG-CB 4.11Å; R725-E835 HydrophobicContact CG-CG 3.94Å; K726-E835 WeakPolarHBondContact CE-OE1 3.36Å; K726-E835 HydrophobicContact CG-CG 4.15Å; K726-E835 WeakPolarHBondContact CG-OE1 3.11Å; K726-E835 VanDerWaalsContact CG-OE2 3.23Å; K726-E835 WeakPolarHBondContact CG-OE2 3.42Å; K726-E835 IonicContact NZ-OE1 2.91Å; K726-E835 PolarHBondContact NZ-OE1 3.05Å; K726-E835 IonicContact NZ-OE2 2.91Å; K726-E835 PolarHBondContact NZ-OE2 3.36Å; F729-E835 HydrophobicContact CB-CB 3.71Å; F729-E835 HydrophobicContact CD1-CB 4.33Å; F729-E835 HydrophobicContact CD2-CB 4.41Å; F729-E835 HydrophobicContact CG-CB 3.92Å; L827-E835 WeakPolarHBondContact CB-O 3.42Å; L827-E835 PolarHBondContact N-O 2.9Å
836	P	94.1	Very high	89.8	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	161	171.2	31	-34.8	0	0	0	112.5	R725 L824 N825 F826 W838 Y839	R725-P836 WeakPolarHBondContact CD-O 3.45Å; L824-P836 HydrophobicContact CB-CB 3.94Å; L824-P836 HydrophobicContact CD1-CB 4.31Å; L824-P836 HydrophobicContact CD1-CG 4.02Å; N825-P836 CarbonylContact O-C 3.35Å; N825-P836 WeakPolarHBondContact O-CA 3.45Å; N825-P836 WeakPolarHBondContact O-CB 3.44Å; F826-P836 HydrophobicContact CD1-CB 4.22Å; F826-P836 HydrophobicContact CE1-CB 4.27Å; F826-P836 HydrophobicContact CE1-CG 4.28Å; P836-W838 PolarHBondContact O-N 3.18Å; P836-Y839 HydrophobicContact CG-CD1 4.2Å; P836-Y839 HydrophobicContact CG-CD2 3.91Å; P836-Y839 HydrophobicContact CG-CE1 3.91Å; P836-Y839 HydrophobicContact CG-CE2 3.61Å; P836-Y839 HydrophobicContact CG-CG 4.18Å
837	E	91.4	Very high	90.1	Very high	44 Å²	44	28.2 Å²	28.2	21%	0.206	13%	0.131	C	C	.	.	S	Bend	trans	-50.3	-44.6	173	-75.3	-174.5	159.2	0	0	110.8	R674 R725 N825 L827	R674-E837 IonicContact CZ-OE1 3.39Å; R674-E837 VanDerWaalsContact CZ-OE1 3.27Å; R674-E837 IonicContact NH1-OE1 2.7Å; R674-E837 PolarHBondContact NH1-OE1 2.95Å; R674-E837 IonicContact NH2-OE1 2.77Å; R674-E837 PolarHBondContact NH2-OE1 2.86Å; R725-E837 VanDerWaalsContact CZ-O 3.22Å; R725-E837 PolarHBondContact NE-O 2.75Å; R725-E837 PolarHBondContact NH1-O 3.37Å; N825-E837 PolarHBondContact O-N 3.32Å; L827-E837 HydrophobicContact CD1-CG 4.44Å; L827-E837 HydrophobicContact CD2-CG 3.63Å; L827-E837 HydrophobicContact CG-CG 3.98Å
838	W	94.6	Very high	90.5	Very high	44 Å²	44	25.2 Å²	25.2	17%	0.167	12%	0.115	C	C	.	.			trans	-155.8	153.8	168.9	39.7	-96.4	0	0	0	110.2	V717 D718 P836 C840 A1002 V1022 M1026	V717-W838 HydrophobicContact CB-CB 4.35Å; V717-W838 HydrophobicContact CB-CD2 3.98Å; V717-W838 HydrophobicContact CB-CE3 4.02Å; V717-W838 HydrophobicContact CB-CG 4.14Å; V717-W838 HydrophobicContact CG1-CD2 3.99Å; V717-W838 HydrophobicContact CG1-CE3 3.5Å; V717-W838 HydrophobicContact CG1-CZ3 3.81Å; V717-W838 HydrophobicContact CG2-CD2 4Å; V717-W838 HydrophobicContact CG2-CE3 4.34Å; V717-W838 HydrophobicContact CG2-CG 4.26Å; D718-W838 WeakPolarHBondContact OD2-CA 3.31Å; P836-W838 PolarHBondContact O-N 3.18Å; W838-C840 HydrophobicContact CE3-CB 4.29Å; W838-C840 HydrophobicContact CZ3-CB 3.91Å; W838-A1002 HydrophobicContact CZ2-CB 4.33Å; W838-A1002 PolarHBondContact NE1-O 3.12Å; W838-V1022 HydrophobicContact CH2-CG1 3.89Å; W838-V1022 HydrophobicContact CZ2-CG1 4.46Å; W838-V1022 HydrophobicContact CZ3-CG1 4.33Å; W838-M1026 HydrophobicContact CH2-SD 4.39Å; W838-M1026 HydrophobicContact CZ3-CG 4.43Å; W838-M1026 HydrophobicContact CZ3-SD 4.45Å
839	Y	95.9	Very high	91.2	Very high	10 Å²	10	22.3 Å²	22.3	4%	0.039	10%	0.103	C	C	.	.			trans	-81.4	158.4	162.9	-73.2	-87.1	0	0	0	109.9	V717 D718 R725 M728 F729 F732 F816 L824 P836 P841	V717-Y839 WeakPolarHBondContact CG1-O 3.45Å; D718-Y839 WeakPolarHBondContact CB-O 3.43Å; D718-Y839 PolarHBondContact OD2-N 3.16Å; R725-Y839 HydrophobicContact CG-CD2 3.8Å; R725-Y839 HydrophobicContact CG-CE2 3.7Å; M728-Y839 HydrophobicContact CB-CE2 4.44Å; F729-Y839 WeakPolarHBondContact CA-OH 3.25Å; F729-Y839 WeakPolarHBondContact CB-OH 3.09Å; F732-Y839 HydrophobicContact CD2-CD1 4.4Å; F732-Y839 AromaticContact CD2-CE1 3.62Å; F732-Y839 HydrophobicContact CD2-CE1 3.62Å; F732-Y839 AromaticContact CD2-CZ 3.69Å; F732-Y839 HydrophobicContact CE2-CD1 4.03Å; F732-Y839 AromaticContact CE2-CE1 3.69Å; F732-Y839 HydrophobicContact CE2-CE1 3.69Å; F732-Y839 HydrophobicContact CE2-CE2 4.38Å; F732-Y839 AromaticContact CE2-CZ 3.9Å; F816-Y839 HydrophobicContact CD1-CD1 4.36Å; F816-Y839 HydrophobicContact CD1-CG 4.13Å; F816-Y839 HydrophobicContact CE1-CG 4.25Å; L824-Y839 HydrophobicContact CD1-CD1 3.6Å; L824-Y839 HydrophobicContact CD1-CE1 3.87Å; L824-Y839 HydrophobicContact CD1-CG 4.43Å; P836-Y839 HydrophobicContact CG-CD1 4.2Å; P836-Y839 HydrophobicContact CG-CD2 3.91Å; P836-Y839 HydrophobicContact CG-CE1 3.91Å; P836-Y839 HydrophobicContact CG-CE2 3.61Å; P836-Y839 HydrophobicContact CG-CG 4.18Å; Y839-P841 WeakPolarHBondContact O-CD 3.27Å
840	C	95.9	Very high	92	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.02	10%	0.099	C	C	.	.			trans	-113	88.9	171.5	-159.5	0	0	0	0	108.9	V717 L824 W838 R1023 M1026	V717-C840 HydrophobicContact CG1-CB 4.39Å; L824-C840 HydrophobicContact CD2-CB 4.46Å; W838-C840 HydrophobicContact CE3-CB 4.29Å; W838-C840 HydrophobicContact CZ3-CB 3.91Å; C840-R1023 PolarHBondContact O-NH1 3.36Å; C840-R1023 WeakPolarHBondContact SG-CD 3.23Å; C840-M1026 HydrophobicContact CB-CE 4.23Å; C840-M1026 HydrophobicContact CB-CG 4.11Å
841	P	96.8	Very high	93	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.			trans	-64.8	166.6	174.4	28.1	-33.6	0	0	0	111	V717 L815 F816 Y839 L843 T845 F1019 R1023	V717-P841 WeakPolarHBondContact O-CD 3.49Å; V717-P841 WeakPolarHBondContact O-CG 3.31Å; L815-P841 CarbonylContact O-C 3.6Å; L815-P841 WeakPolarHBondContact O-CA 3.23Å; F816-P841 HydrophobicContact CD1-CB 4Å; F816-P841 HydrophobicContact CE1-CB 3.67Å; F816-P841 HydrophobicContact CE1-CG 4.02Å; F816-P841 HydrophobicContact CZ-CB 4.03Å; F816-P841 HydrophobicContact CZ-CG 4.41Å; Y839-P841 WeakPolarHBondContact O-CD 3.27Å; P841-L843 VanDerWaalsContact C-N 3.29Å; P841-L843 WeakPolarHBondContact CB-O 3.2Å; P841-L843 WeakPolarHBondContact CG-O 3.14Å; P841-T845 HydrophobicContact CB-CG2 4.11Å; P841-T845 HydrophobicContact CG-CG2 4.22Å; P841-F1019 HydrophobicContact CG-CE2 4.13Å; P841-F1019 HydrophobicContact CG-CZ 4.39Å; P841-F1019 VanDerWaalsContact O-CZ 3.25Å; P841-F1019 WeakPolarHBondContact O-CZ 3.39Å; P841-R1023 VanDerWaalsContact O-CD 3.27Å; P841-R1023 WeakPolarHBondContact O-CD 3.28Å; P841-R1023 PolarHBondContact O-NE 3.3Å
842	I	96.8	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-75.3	-19.6	175.8	60.3	157	0	0	0	113.2	A814 L815 W1166 D1169 L1170 F1173	A814-I842 WeakPolarHBondContact O-CD1 3.43Å; L815-I842 HydrophobicContact CD2-CG1 4.12Å; L815-I842 PolarHBondContact O-N 2.89Å; I842-W1166 PolarHBondContact O-NE1 3.33Å; I842-D1169 HydrophobicContact CG2-CB 3.98Å; I842-L1170 HydrophobicContact CD1-CD2 4.44Å; I842-F1173 HydrophobicContact CD1-CB 3.39Å; I842-F1173 HydrophobicContact CD1-CD2 4.3Å; I842-F1173 HydrophobicContact CD1-CG 3.82Å
843	L	96.9	Very high	94.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-131.9	148.2	178.7	-65.5	-179.7	0	0	0	109.1	L815 P841 T845 I848 V871 I874 L1170 F1173	L815-L843 HydrophobicContact CD2-CB 4.14Å; L815-L843 HydrophobicContact CD2-CD1 4.22Å; L815-L843 HydrophobicContact CD2-CG 4.38Å; P841-L843 VanDerWaalsContact C-N 3.29Å; P841-L843 WeakPolarHBondContact CB-O 3.2Å; P841-L843 WeakPolarHBondContact CG-O 3.14Å; L843-T845 PolarHBondContact O-N 3.26Å; L843-I848 HydrophobicContact CB-CD1 3.72Å; L843-I848 HydrophobicContact CD1-CD1 3.91Å; L843-I848 HydrophobicContact CG-CD1 4.49Å; L843-V871 HydrophobicContact CD1-CG2 3.85Å; L843-V871 HydrophobicContact CD2-CG2 3.95Å; L843-V871 HydrophobicContact CG-CG2 4.49Å; L843-I874 HydrophobicContact CD2-CD1 3.3Å; L843-L1170 HydrophobicContact CD2-CD2 3.52Å; L843-L1170 HydrophobicContact CG-CD2 4.23Å; L843-F1173 HydrophobicContact CD1-CD1 3.72Å; L843-F1173 HydrophobicContact CD1-CE1 3.32Å; L843-F1173 HydrophobicContact CD1-CE2 4.42Å; L843-F1173 HydrophobicContact CD1-CG 4.42Å; L843-F1173 HydrophobicContact CD1-CZ 3.72Å
844	P	96.4	Very high	94.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.			trans	-69.4	94.6	177.5	29.1	-33.6	0	0	0	110.1	V846 L847 I848 L870 L1016 F1019	P844-V846 HydrophobicContact CB-CG1 4.49Å; P844-V846 PolarHBondContact O-N 3.48Å; P844-V846 VanDerWaalsContact O-N 3.13Å; P844-L847 HydrophobicContact CB-CD1 4.38Å; P844-L847 HydrophobicContact CB-CG 4.37Å; P844-L847 HydrophobicContact CG-CB 4.33Å; P844-L847 HydrophobicContact CG-CD1 3.9Å; P844-L847 HydrophobicContact CG-CG 4.29Å; P844-L847 WeakPolarHBondContact O-CB 3.48Å; P844-L847 PolarHBondContact O-N 3.23Å; P844-I848 PolarHBondContact O-N 3.17Å; P844-L870 HydrophobicContact CG-CD2 4.29Å; P844-L1016 HydrophobicContact CG-CD1 3.73Å; P844-F1019 HydrophobicContact CB-CB 4.22Å; P844-F1019 HydrophobicContact CB-CD1 3.95Å; P844-F1019 HydrophobicContact CB-CD2 3.95Å; P844-F1019 HydrophobicContact CB-CE1 4.29Å; P844-F1019 HydrophobicContact CB-CE2 4.3Å; P844-F1019 HydrophobicContact CB-CG 3.76Å; P844-F1019 HydrophobicContact CB-CZ 4.44Å; P844-F1019 HydrophobicContact CG-CD1 4.07Å; P844-F1019 HydrophobicContact CG-CE1 4.37Å; P844-F1019 HydrophobicContact CG-CG 4.35Å
845	T	96.5	Very high	94.6	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-24.6	-178	33.4	0	0	0	0	113.2	D718 L815 F816 P841 L843 L847 I848 N849	D718-T845 PolarHBondContact O-OG1 3.05Å; L815-T845 HydrophobicContact CD1-CG2 4.37Å; F816-T845 HydrophobicContact CE2-CG2 4.42Å; F816-T845 HydrophobicContact CZ-CG2 4.2Å; P841-T845 HydrophobicContact CB-CG2 4.11Å; P841-T845 HydrophobicContact CG-CG2 4.22Å; L843-T845 PolarHBondContact O-N 3.26Å; T845-L847 VanDerWaalsContact C-N 3.26Å; T845-L847 PolarHBondContact O-N 3.25Å; T845-I848 HydrophobicContact CG2-CD1 4.38Å; T845-I848 PolarHBondContact O-N 2.56Å; T845-I848 VanDerWaalsContact O-N 3.15Å; T845-N849 PolarHBondContact O-N 3Å
846	V	96.6	Very high	94.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61	-33.3	171.2	74.9	0	0	0	0	112.9	P714 P844 G850 A851 V862 L999 I1015	P714-V846 HydrophobicContact CG-CG2 4.34Å; P844-V846 HydrophobicContact CB-CG1 4.49Å; P844-V846 PolarHBondContact O-N 3.48Å; P844-V846 VanDerWaalsContact O-N 3.13Å; V846-G850 CarbonylContact O-C 3.57Å; V846-G850 WeakPolarHBondContact O-CA 3.32Å; V846-G850 PolarHBondContact O-N 3.1Å; V846-G850 VanDerWaalsContact O-N 3.11Å; V846-A851 HydrophobicContact CG2-CB 4.08Å; V846-V862 HydrophobicContact CG2-CB 4.49Å; V846-V862 HydrophobicContact CG2-CG1 4.39Å; V846-V862 HydrophobicContact CG2-CG2 4.37Å; V846-L999 HydrophobicContact CG1-CD1 4.07Å; V846-L999 HydrophobicContact CG2-CD1 4.04Å; V846-L999 HydrophobicContact CG2-CD2 3.69Å; V846-I1015 HydrophobicContact CG1-CG2 3.99Å
847	L	97.3	Very high	93.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-83.1	-29.9	174.2	-64.2	-177.5	0	0	0	111	P844 T845 V862 N864 Y865 L870 M886 A1012 I1015 L1016	P844-L847 HydrophobicContact CB-CD1 4.38Å; P844-L847 HydrophobicContact CB-CG 4.37Å; P844-L847 HydrophobicContact CG-CB 4.33Å; P844-L847 HydrophobicContact CG-CD1 3.9Å; P844-L847 HydrophobicContact CG-CG 4.29Å; P844-L847 WeakPolarHBondContact O-CB 3.48Å; P844-L847 PolarHBondContact O-N 3.23Å; T845-L847 VanDerWaalsContact C-N 3.26Å; T845-L847 PolarHBondContact O-N 3.25Å; L847-V862 HydrophobicContact CD2-CG1 4.01Å; L847-N864 CarbonylContact O-C 3.5Å; L847-Y865 HydrophobicContact CB-CD2 4.09Å; L847-Y865 HydrophobicContact CD2-CD2 3.96Å; L847-Y865 HydrophobicContact CD2-CE2 3.99Å; L847-Y865 WeakPolarHBondContact O-CB 3.28Å; L847-Y865 PolarHBondContact O-N 3.47Å; L847-L870 HydrophobicContact CB-CD1 4Å; L847-L870 HydrophobicContact CB-CD2 4.14Å; L847-L870 HydrophobicContact CD1-CD2 3.78Å; L847-M886 HydrophobicContact CD1-CE 4.34Å; L847-A1012 HydrophobicContact CD1-CB 4.4Å; L847-A1012 HydrophobicContact CD2-CB 3.99Å; L847-I1015 HydrophobicContact CD1-CB 4.32Å; L847-I1015 HydrophobicContact CD1-CG2 3.84Å; L847-I1015 HydrophobicContact CD2-CB 4.31Å; L847-I1015 HydrophobicContact CD2-CD1 4Å; L847-I1015 HydrophobicContact CD2-CG2 3.93Å; L847-I1015 HydrophobicContact CG-CG2 3.79Å; L847-L1016 HydrophobicContact CD1-CB 4.38Å
848	I	97.3	Very high	93.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-56.6	177.7	-65.2	173.8	0	0	0	111	N778 V779 L815 L843 P844 T845 N864 P867 L870	N778-I848 HydrophobicContact CB-CG2 4.12Å; N778-I848 WeakPolarHBondContact CB-O 3.4Å; N778-I848 PolarHBondContact ND2-O 2.86Å; V779-I848 HydrophobicContact CB-CG2 3.94Å; V779-I848 HydrophobicContact CG2-CG2 3.73Å; L815-I848 HydrophobicContact CD2-CD1 4.1Å; L843-I848 HydrophobicContact CB-CD1 3.72Å; L843-I848 HydrophobicContact CD1-CD1 3.91Å; L843-I848 HydrophobicContact CG-CD1 4.49Å; P844-I848 PolarHBondContact O-N 3.17Å; T845-I848 HydrophobicContact CG2-CD1 4.38Å; T845-I848 PolarHBondContact O-N 2.56Å; T845-I848 VanDerWaalsContact O-N 3.15Å; I848-N864 WeakPolarHBondContact O-CB 3.38Å; I848-P867 HydrophobicContact CG2-CG 4.07Å; I848-L870 HydrophobicContact CG1-CD1 3.59Å
849	N	96.5	Very high	93.4	Very high	23 Å²	23	22.7 Å²	22.7	12%	0.123	13%	0.131	C	C	.	.	H	α-helix	trans	-99.9	-2.1	-172.3	-73.1	-25.4	0	0	0	113.7	N778 V779 T845 N864	N778-N849 PolarHBondContact N-OD1 3.27Å; V779-N849 PolarHBondContact N-OD1 3.09Å; V779-N849 PolarHBondContact O-ND2 3.13Å; V779-N849 PolarHBondContact O-OD1 3.37Å; T845-N849 PolarHBondContact O-N 3Å; N849-N864 VanDerWaalsContact C-CG 3.47Å; N849-N864 PolarHBondContact O-ND2 3.41Å; N849-N864 PolarHBondContact O-OD1 3.21Å; N849-N864 VanDerWaalsContact O-OD1 3.07Å
850	G	94.5	Very high	93.3	Very high	11 Å²	11	22.4 Å²	22.4	11%	0.113	13%	0.131	C	C	.	.			trans	65.6	-178.2	-172.4	0	0	0	0	0	112.2	V846 V862 N864	V846-G850 CarbonylContact O-C 3.57Å; V846-G850 WeakPolarHBondContact O-CA 3.32Å; V846-G850 PolarHBondContact O-N 3.1Å; V846-G850 VanDerWaalsContact O-N 3.11Å; G850-V862 CarbonylContact C-O 3.52Å; G850-V862 WeakPolarHBondContact CA-O 3.43Å; G850-N864 PolarHBondContact N-OD1 3.47Å
851	A	94.6	Very high	93.2	Very high	13 Å²	13	26.3 Å²	26.3	11%	0.107	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	139.1	173.2	0	0	0	0	0	111.1	P714 V846 K861 V862	P714-A851 HydrophobicContact CG-CB 3.55Å; V846-A851 HydrophobicContact CG2-CB 4.08Å; A851-K861 CarbonylContact O-C 3.49Å; A851-K861 WeakPolarHBondContact O-CA 3.44Å; A851-V862 HydrophobicContact CB-CB 4.4Å; A851-V862 PolarHBondContact N-O 2.94Å; A851-V862 PolarHBondContact O-N 3.47Å
852	E	93.3	Very high	93.2	Very high	121 Å²	121	26.5 Å²	26.5	57%	0.565	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130	138.2	170.8	-60.6	-164.1	160.6	0	0	110.3	K721 T860 K861	K721-E852 PolarHBondContact NZ-O 3.2Å; E852-T860 WeakPolarHBondContact CA-O 3.33Å; E852-K861 HydrophobicContact CG-CG 4.23Å; E852-K861 WeakPolarHBondContact OE1-CE 3.18Å; E852-K861 IonicContact OE1-NZ 3.03Å; E852-K861 PolarHBondContact OE1-NZ 3.48Å
853	G	91.6	Very high	93.2	Very high	12 Å²	12	26.7 Å²	26.7	12%	0.124	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	146.5	-179.2	0	0	0	0	0	113.1	S712 S859 T860	S712-G853 WeakPolarHBondContact O-CA 3.27Å; G853-S859 CarbonylContact O-C 3.58Å; G853-S859 VanDerWaalsContact O-CA 3.32Å; G853-S859 WeakPolarHBondContact O-CA 3.35Å; G853-T860 PolarHBondContact N-O 3.21Å; G853-T860 PolarHBondContact O-N 2.8Å
854	I	89.5	Confident	93.2	Very high	140 Å²	140	27.2 Å²	27.2	72%	0.718	15%	0.153	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.5	176.6	-56.5	173.9	0	0	0	106.5	S712	S712-I854 WeakPolarHBondContact CB-O 3.25Å; S712-I854 PolarHBondContact OG-O 3.14Å
855	G	86.2	Confident	93.2	Very high	9 Å²	9	27.3 Å²	27.3	9%	0.093	15%	0.153	C	C	.	.			trans	-113.1	-171.8	172.1	0	0	0	0	0	111.1	N709 G857 W858	N709-G855 WeakPolarHBondContact OD1-CA 3.27Å; G855-G857 PolarHBondContact O-N 2.9Å; G855-G857 VanDerWaalsContact O-N 3.13Å; G855-W858 CarbonylContact C-O 3.51Å; G855-W858 PolarHBondContact N-O 3.42Å
856	T	85.7	Confident	93.2	Very high	18 Å²	18	28.8 Å²	28.8	11%	0.11	16%	0.161	C	C	.	.	S	Bend	trans	-70.2	110.8	-179.6	-64.8	0	0	0	0	111.2	L663 D708 N709 W858	L663-T856 HydrophobicContact CD1-CG2 4.32Å; L663-T856 WeakPolarHBondContact CD1-O 3.13Å; D708-T856 PolarHBondContact OD2-N 3.22Å; D708-T856 PolarHBondContact OD2-OG1 3.1Å; N709-T856 PolarHBondContact ND2-O 3.08Å; N709-T856 PolarHBondContact OD1-N 3.04Å; N709-T856 PolarHBondContact OD1-O 2.54Å; T856-W858 PolarHBondContact O-N 2.76Å
857	G	83.1	Confident	93.2	Very high	17 Å²	17	29 Å²	29	18%	0.175	16%	0.162	C	C	.	.	S	Bend	trans	79.4	-15.9	179.4	0	0	0	0	0	114.7	K660 G855	K660-G857 WeakPolarHBondContact CE-O 3.27Å; K660-G857 WeakPolarHBondContact CG-O 3.22Å; G855-G857 PolarHBondContact O-N 2.9Å; G855-G857 VanDerWaalsContact O-N 3.13Å
858	W	88.4	Confident	93.2	Very high	36 Å²	36	32.3 Å²	32.3	14%	0.136	18%	0.175	C	C	.	.			trans	-124.3	149.8	-175.7	-66.3	95.8	0	0	0	112	K660 I713 G855 T856 V998 L1006	K660-W858 HydrophobicContact CB-CH2 4.36Å; K660-W858 HydrophobicContact CB-CZ2 3.62Å; K660-W858 HydrophobicContact CD-CD2 4.22Å; K660-W858 HydrophobicContact CD-CE3 4.25Å; K660-W858 HydrophobicContact CD-CH2 4.13Å; K660-W858 HydrophobicContact CD-CZ2 4.06Å; K660-W858 HydrophobicContact CD-CZ3 4.23Å; K660-W858 HydrophobicContact CG-CD2 3.94Å; K660-W858 HydrophobicContact CG-CE3 4.47Å; K660-W858 HydrophobicContact CG-CG 4.37Å; K660-W858 HydrophobicContact CG-CH2 4.37Å; K660-W858 HydrophobicContact CG-CZ2 3.79Å; I713-W858 HydrophobicContact CD1-CB 3.6Å; G855-W858 CarbonylContact C-O 3.51Å; G855-W858 PolarHBondContact N-O 3.42Å; T856-W858 PolarHBondContact O-N 2.76Å; W858-V998 HydrophobicContact CD2-CG1 4.33Å; W858-V998 HydrophobicContact CE3-CB 4.42Å; W858-V998 HydrophobicContact CE3-CG1 3.69Å; W858-V998 HydrophobicContact CE3-CG2 3.93Å; W858-V998 HydrophobicContact CZ3-CG1 4.13Å; W858-V998 HydrophobicContact CZ3-CG2 4.14Å; W858-L1006 HydrophobicContact CB-CD1 4.4Å; W858-L1006 HydrophobicContact CD2-CD1 4.19Å; W858-L1006 HydrophobicContact CG-CD1 3.81Å
859	S	90.9	Very high	93.2	Very high	57 Å²	57	34.7 Å²	34.7	40%	0.399	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.1	168	62.9	0	0	0	0	109.6	G853	G853-S859 CarbonylContact O-C 3.58Å; G853-S859 VanDerWaalsContact O-CA 3.32Å; G853-S859 WeakPolarHBondContact O-CA 3.35Å
860	T	94.6	Very high	93.2	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.3	176.1	-166.8	0	0	0	0	110.5	I713 E852 G853 S996 V998	I713-T860 HydrophobicContact CB-CG2 4.49Å; I713-T860 HydrophobicContact CG1-CG2 4.24Å; I713-T860 HydrophobicContact CG2-CG2 4.28Å; E852-T860 WeakPolarHBondContact CA-O 3.33Å; G853-T860 PolarHBondContact N-O 3.21Å; G853-T860 PolarHBondContact O-N 2.8Å; T860-S996 CarbonylContact C-O 3.58Å; T860-S996 VanDerWaalsContact CA-O 3.26Å; T860-S996 WeakPolarHBondContact CA-O 3.2Å; T860-V998 WeakPolarHBondContact CB-O 3.43Å; T860-V998 PolarHBondContact OG1-N 3.42Å; T860-V998 PolarHBondContact OG1-O 3.04Å
861	K	94.7	Very high	93.4	Very high	86 Å²	86	33.1 Å²	33.1	37%	0.374	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	97.9	171.1	-173.2	171.5	177.4	104.1	0	108.2	A851 E852 S996	A851-K861 CarbonylContact O-C 3.49Å; A851-K861 WeakPolarHBondContact O-CA 3.44Å; E852-K861 HydrophobicContact CG-CG 4.23Å; E852-K861 WeakPolarHBondContact OE1-CE 3.18Å; E852-K861 IonicContact OE1-NZ 3.03Å; E852-K861 PolarHBondContact OE1-NZ 3.48Å; K861-S996 WeakPolarHBondContact CB-OG 3.17Å; K861-S996 PolarHBondContact N-O 2.99Å
862	V	96.2	Very high	93.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.8	175.7	-176	0	0	0	0	107.2	V846 L847 G850 A851 M997 L999	V846-V862 HydrophobicContact CG2-CB 4.49Å; V846-V862 HydrophobicContact CG2-CG1 4.39Å; V846-V862 HydrophobicContact CG2-CG2 4.37Å; L847-V862 HydrophobicContact CD2-CG1 4.01Å; G850-V862 CarbonylContact C-O 3.52Å; G850-V862 WeakPolarHBondContact CA-O 3.43Å; A851-V862 HydrophobicContact CB-CB 4.4Å; A851-V862 PolarHBondContact N-O 2.94Å; A851-V862 PolarHBondContact O-N 3.47Å; V862-M997 HydrophobicContact CG1-SD 4.47Å; V862-M997 HydrophobicContact CG2-CB 4.19Å; V862-M997 HydrophobicContact CG2-CG 4.02Å; V862-L999 HydrophobicContact CG2-CD2 4.23Å
863	P	95.9	Very high	93.7	Very high	5 Å²	5	31 Å²	31	3%	0.032	17%	0.166	C	C	.	.			trans	-77.1	168.7	175.7	33.4	-34.4	0	0	0	111.4	Y865 P888 I992 I994	P863-Y865 HydrophobicContact CG-CE2 3.78Å; P863-Y865 WeakPolarHBondContact O-CD2 3.48Å; P863-Y865 WeakPolarHBondContact O-CE2 3.29Å; P863-P888 HydrophobicContact CB-CB 4.08Å; P863-P888 HydrophobicContact CB-CG 4.18Å; P863-P888 HydrophobicContact CG-CB 4.35Å; P863-P888 HydrophobicContact CG-CG 3.96Å; P863-I992 HydrophobicContact CB-CG2 4.02Å; P863-I992 HydrophobicContact CG-CG2 4.4Å; P863-I994 HydrophobicContact CG-CG2 3.73Å
864	N	96.8	Very high	94	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.059	16%	0.16	C	C	.	.			trans	-82	150.1	177.4	-55.7	29.4	0	0	0	110.6	S776 N778 L847 I848 N849 G850 P888 W889 Y890	S776-N864 PolarHBondContact O-ND2 2.85Å; N778-N864 WeakPolarHBondContact ND2-CB 3.4Å; L847-N864 CarbonylContact O-C 3.5Å; I848-N864 WeakPolarHBondContact O-CB 3.38Å; N849-N864 VanDerWaalsContact C-CG 3.47Å; N849-N864 PolarHBondContact O-ND2 3.41Å; N849-N864 PolarHBondContact O-OD1 3.21Å; N849-N864 VanDerWaalsContact O-OD1 3.07Å; G850-N864 PolarHBondContact N-OD1 3.47Å; N864-P888 CarbonylContact O-C 3.58Å; N864-P888 VanDerWaalsContact O-CA 3.27Å; N864-P888 WeakPolarHBondContact O-CA 3.43Å; N864-W889 CarbonylContact C-O 3.56Å; N864-W889 VanDerWaalsContact C-O 3.3Å; N864-W889 WeakPolarHBondContact CB-O 3.37Å; N864-W889 PolarHBondContact O-N 2.88Å; N864-Y890 HydrophobicContact CB-CD1 3.88Å; N864-Y890 HydrophobicContact CB-CE1 3.7Å; N864-Y890 VanDerWaalsContact CG-CE1 3.46Å; N864-Y890 WeakPolarHBondContact OD1-CE1 3.37Å
865	Y	97.3	Very high	94.3	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	14%	0.138	C	C	.	.			trans	-130.6	161.8	178.4	-69.9	-91.1	0	0	0	110.7	N778 L847 P863 P867 M886 K887 A1012	N778-Y865 PolarHBondContact ND2-O 3.36Å; L847-Y865 HydrophobicContact CB-CD2 4.09Å; L847-Y865 HydrophobicContact CD2-CD2 3.96Å; L847-Y865 HydrophobicContact CD2-CE2 3.99Å; L847-Y865 WeakPolarHBondContact O-CB 3.28Å; L847-Y865 PolarHBondContact O-N 3.47Å; P863-Y865 HydrophobicContact CG-CE2 3.78Å; P863-Y865 WeakPolarHBondContact O-CD2 3.48Å; P863-Y865 WeakPolarHBondContact O-CE2 3.29Å; Y865-P867 WeakPolarHBondContact O-CD 3.31Å; Y865-M886 HydrophobicContact CD1-CB 3.66Å; Y865-M886 HydrophobicContact CE1-CB 3.8Å; Y865-K887 VanDerWaalsContact CD1-O 3.31Å; Y865-K887 WeakPolarHBondContact CD1-O 3.33Å; Y865-A1012 HydrophobicContact CE1-CB 3.93Å; Y865-A1012 HydrophobicContact CE2-CB 3.82Å; Y865-A1012 VanDerWaalsContact CZ-CB 3.49Å
866	N	97	Very high	94.8	Very high	37 Å²	37	29.7 Å²	29.7	20%	0.198	15%	0.145	C	C	.	.			trans	-72.5	121.4	-177.7	-175.3	-18.2	0	0	0	110.7	R868 E869 L870 W889	N866-R868 PolarHBondContact O-N 2.9Å; N866-R868 WeakPolarHBondContact OD1-CB 3.3Å; N866-R868 PolarHBondContact OD1-N 3.45Å; N866-E869 HydrophobicContact CB-CB 3.92Å; N866-E869 PolarHBondContact O-N 2.83Å; N866-L870 PolarHBondContact O-N 3.33Å; N866-L870 VanDerWaalsContact O-N 3.08Å; N866-W889 HydrophobicContact CB-CB 4.09Å; N866-W889 HydrophobicContact CB-CD2 3.85Å; N866-W889 HydrophobicContact CB-CE3 3.93Å; N866-W889 HydrophobicContact CB-CG 3.92Å
867	P	97	Very high	95.3	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.032	15%	0.145	C	C	.	.	H	α-helix	trans	-55.7	-34.6	177.2	-24.5	33.4	0	0	0	113.7	V779 I848 Y865 L870 V871 F1173 L1177	V779-P867 HydrophobicContact CG2-CG 3.97Å; I848-P867 HydrophobicContact CG2-CG 4.07Å; Y865-P867 WeakPolarHBondContact O-CD 3.31Å; P867-L870 PolarHBondContact O-N 3.4Å; P867-V871 VanDerWaalsContact O-CG2 3.31Å; P867-V871 WeakPolarHBondContact O-CG2 3.29Å; P867-V871 PolarHBondContact O-N 2.91Å; P867-F1173 HydrophobicContact CB-CE1 4.15Å; P867-F1173 HydrophobicContact CB-CZ 4.04Å; P867-L1177 HydrophobicContact CB-CD2 4.19Å
868	R	96.9	Very high	95.9	Very high	68 Å²	68	29.3 Å²	29.3	26%	0.257	14%	0.138	S	C	.	.	H	α-helix	trans	-72.6	-39.9	-178.6	-58.1	-176.2	-170.9	-78.8	-3.3	111.7	N866 L870 V871 D872 L1174 D1178 E1181	N866-R868 PolarHBondContact O-N 2.9Å; N866-R868 WeakPolarHBondContact OD1-CB 3.3Å; N866-R868 PolarHBondContact OD1-N 3.45Å; R868-L870 VanDerWaalsContact C-N 3.3Å; R868-L870 PolarHBondContact O-N 3.42Å; R868-V871 WeakPolarHBondContact O-CB 3.21Å; R868-V871 PolarHBondContact O-N 3.25Å; R868-D872 PolarHBondContact O-N 3.09Å; R868-L1174 HydrophobicContact CG-CD2 4.07Å; R868-D1178 IonicContact CZ-OD1 3.29Å; R868-D1178 IonicContact NH1-OD1 3.85Å; R868-D1178 PolarHBondContact NH1-OD1 2.82Å; R868-D1178 IonicContact NH2-OD1 3.63Å; R868-D1178 PolarHBondContact NH2-OD1 2.92Å; R868-E1181 IonicContact CZ-OE2 3.77Å; R868-E1181 IonicContact NH2-OE2 3.09Å; R868-E1181 PolarHBondContact NH2-OE2 2.63Å
869	E	96.7	Very high	96.2	Very high	51 Å²	51	32.5 Å²	32.5	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-35.7	174.7	-169.1	176.7	-173.2	0	0	111.5	N866 D872 N873 M886	N866-E869 HydrophobicContact CB-CB 3.92Å; N866-E869 PolarHBondContact O-N 2.83Å; E869-D872 PolarHBondContact O-N 3.48Å; E869-N873 WeakPolarHBondContact O-CB 3.48Å; E869-N873 PolarHBondContact O-N 2.87Å; E869-M886 HydrophobicContact CG-CG 4.04Å; E869-M886 HydrophobicContact CG-SD 4.43Å
870	L	97.1	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-43.1	172.2	-71.2	168.6	0	0	0	112	P844 L847 I848 N866 P867 R868 D872 N873 I874 M886 L1016	P844-L870 HydrophobicContact CG-CD2 4.29Å; L847-L870 HydrophobicContact CB-CD1 4Å; L847-L870 HydrophobicContact CB-CD2 4.14Å; L847-L870 HydrophobicContact CD1-CD2 3.78Å; I848-L870 HydrophobicContact CG1-CD1 3.59Å; N866-L870 PolarHBondContact O-N 3.33Å; N866-L870 VanDerWaalsContact O-N 3.08Å; P867-L870 PolarHBondContact O-N 3.4Å; R868-L870 VanDerWaalsContact C-N 3.3Å; R868-L870 PolarHBondContact O-N 3.42Å; L870-D872 VanDerWaalsContact C-N 3.35Å; L870-N873 PolarHBondContact O-N 2.7Å; L870-I874 WeakPolarHBondContact O-CG1 3.46Å; L870-I874 PolarHBondContact O-N 2.91Å; L870-M886 HydrophobicContact CD2-CE 3.91Å; L870-M886 HydrophobicContact CD2-SD 3.59Å; L870-M886 VanDerWaalsContact CD2-SD 3.59Å; L870-M886 HydrophobicContact CG-SD 4.27Å; L870-L1016 HydrophobicContact CD2-CD1 4.21Å
871	V	97.5	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-46	175.1	172.5	0	0	0	0	110.5	L843 P867 R868 N873 I874 R875 L1170 F1173 L1174	L843-V871 HydrophobicContact CD1-CG2 3.85Å; L843-V871 HydrophobicContact CD2-CG2 3.95Å; L843-V871 HydrophobicContact CG-CG2 4.49Å; P867-V871 VanDerWaalsContact O-CG2 3.31Å; P867-V871 WeakPolarHBondContact O-CG2 3.29Å; P867-V871 PolarHBondContact O-N 2.91Å; R868-V871 WeakPolarHBondContact O-CB 3.21Å; R868-V871 PolarHBondContact O-N 3.25Å; V871-N873 PolarHBondContact O-N 3.1Å; V871-I874 PolarHBondContact O-N 3.5Å; V871-R875 WeakPolarHBondContact O-CG 3.3Å; V871-R875 PolarHBondContact O-N 3.36Å; V871-L1170 HydrophobicContact CG1-CB 4.14Å; V871-L1170 HydrophobicContact CG1-CD1 4.44Å; V871-L1170 HydrophobicContact CG1-CD2 4.27Å; V871-L1170 HydrophobicContact CG2-CD2 4.05Å; V871-F1173 HydrophobicContact CG2-CD1 4.12Å; V871-F1173 HydrophobicContact CG2-CE1 4.2Å; V871-L1174 HydrophobicContact CG1-CD1 3.96Å; V871-L1174 HydrophobicContact CG1-CG 4.43Å; V871-L1174 HydrophobicContact CG2-CD2 4.15Å; V871-L1174 HydrophobicContact CG2-CG 4.38Å
872	D	97.3	Very high	96.4	Very high	88 Å²	88	42.2 Å²	42.2	47%	0.471	20%	0.202	S	C	.	.	H	α-helix	trans	-61.4	-45.6	179	-68.1	-23.9	0	0	0	111.3	R868 E869 L870 I874 R875 R876	R868-D872 PolarHBondContact O-N 3.09Å; E869-D872 PolarHBondContact O-N 3.48Å; L870-D872 VanDerWaalsContact C-N 3.35Å; D872-I874 PolarHBondContact O-N 2.88Å; D872-R875 PolarHBondContact O-N 2.93Å; D872-R876 WeakPolarHBondContact O-CG 2.99Å; D872-R876 PolarHBondContact O-N 3.2Å
873	N	97.4	Very high	96.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-37.4	177	-85.5	-23.5	0	0	0	113.1	E869 L870 V871 R876 M877 P883 N884 M886 L1016	E869-N873 WeakPolarHBondContact O-CB 3.48Å; E869-N873 PolarHBondContact O-N 2.87Å; L870-N873 PolarHBondContact O-N 2.7Å; V871-N873 PolarHBondContact O-N 3.1Å; N873-R876 WeakPolarHBondContact O-CB 3.09Å; N873-R876 PolarHBondContact O-N 2.79Å; N873-M877 WeakPolarHBondContact O-CG 3.48Å; N873-M877 PolarHBondContact O-N 3.04Å; N873-P883 HydrophobicContact CB-CB 4.14Å; N873-N884 PolarHBondContact ND2-O 3.5Å; N873-N884 WeakPolarHBondContact OD1-CB 3.29Å; N873-N884 PolarHBondContact OD1-N 3.07Å; N873-M886 VanDerWaalsContact ND2-CG 3.27Å; N873-M886 WeakPolarHBondContact ND2-CG 3.27Å; N873-M886 PolarHBondContact ND2-SD 3.12Å; N873-L1016 HydrophobicContact CB-CD2 3.63Å
874	I	96.9	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-42.8	174.4	-72.8	166.2	0	0	0	110.8	L843 L870 V871 D872 R876 M877 L878 L1016 W1166 L1170	L843-I874 HydrophobicContact CD2-CD1 3.3Å; L870-I874 WeakPolarHBondContact O-CG1 3.46Å; L870-I874 PolarHBondContact O-N 2.91Å; V871-I874 PolarHBondContact O-N 3.5Å; D872-I874 PolarHBondContact O-N 2.88Å; I874-R876 VanDerWaalsContact C-N 3.28Å; I874-R876 PolarHBondContact O-N 2.95Å; I874-M877 CarbonylContact O-C 3.59Å; I874-M877 PolarHBondContact O-N 3.24Å; I874-M877 VanDerWaalsContact O-N 3.12Å; I874-L878 HydrophobicContact CG2-CD1 4.05Å; I874-L878 HydrophobicContact CG2-CG 4.27Å; I874-L878 WeakPolarHBondContact O-CG 3.38Å; I874-L878 PolarHBondContact O-N 2.85Å; I874-L1016 HydrophobicContact CD1-CD1 4.09Å; I874-L1016 HydrophobicContact CG1-CD1 3.85Å; I874-W1166 HydrophobicContact CD1-CZ2 4.17Å; I874-W1166 HydrophobicContact CG1-CZ2 4.49Å; I874-W1166 HydrophobicContact CG2-CD2 4.3Å; I874-W1166 HydrophobicContact CG2-CH2 4.13Å; I874-W1166 HydrophobicContact CG2-CZ2 3.67Å; I874-L1170 HydrophobicContact CG2-CD1 3.83Å
875	R	97.1	Very high	96.1	Very high	70 Å²	70	51.1 Å²	51.1	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-58.2	-41.8	175.1	-77.3	175.3	168.4	171.4	-6.4	111.8	V871 D872 M877 L878 N879 L1170 E1171	V871-R875 WeakPolarHBondContact O-CG 3.3Å; V871-R875 PolarHBondContact O-N 3.36Å; D872-R875 PolarHBondContact O-N 2.93Å; R875-M877 PolarHBondContact O-N 2.99Å; R875-L878 WeakPolarHBondContact O-CB 3.34Å; R875-L878 PolarHBondContact O-N 2.78Å; R875-N879 PolarHBondContact O-N 2.95Å; R875-N879 PolarHBondContact O-ND2 3.01Å; R875-L1170 HydrophobicContact CG-CD1 4.22Å; R875-E1171 IonicContact NH2-OE1 3.06Å
876	R	97	Very high	95.9	Very high	64 Å²	64	51.6 Å²	51.6	24%	0.242	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-46.5	173.7	-70.5	-174.1	76.8	-139	-2.2	111.7	D872 N873 I874 L878 N879 N880 E881 E882 N884	D872-R876 WeakPolarHBondContact O-CG 2.99Å; D872-R876 PolarHBondContact O-N 3.2Å; N873-R876 WeakPolarHBondContact O-CB 3.09Å; N873-R876 PolarHBondContact O-N 2.79Å; I874-R876 VanDerWaalsContact C-N 3.28Å; I874-R876 PolarHBondContact O-N 2.95Å; R876-L878 PolarHBondContact O-N 2.9Å; R876-N879 CarbonylContact O-C 3.53Å; R876-N879 WeakPolarHBondContact O-CA 3.21Å; R876-N879 WeakPolarHBondContact O-CB 3.34Å; R876-N879 PolarHBondContact O-N 3.18Å; R876-N880 PolarHBondContact O-N 2.8Å; R876-E881 HydrophobicContact CB-CB 4.04Å; R876-E881 IonicContact CZ-OE2 2.78Å; R876-E881 IonicContact NE-OE2 3.48Å; R876-E881 PolarHBondContact NE-OE2 2.87Å; R876-E881 IonicContact NH2-OE2 2.6Å; R876-E881 PolarHBondContact NH2-OE2 3.48Å; R876-E881 WeakPolarHBondContact O-CB 3.23Å; R876-E881 PolarHBondContact O-N 3.45Å; R876-E882 PolarHBondContact NH1-O 2.62Å; R876-E882 PolarHBondContact NH2-O 2.84Å; R876-N884 VanDerWaalsContact NH1-N 3.18Å; R876-N884 PolarHBondContact NH1-ND2 3.3Å; R876-N884 PolarHBondContact NH1-OD1 3.09Å
877	M	96.1	Very high	95.7	Very high	21 Å²	21	55.6 Å²	55.6	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-34.9	175.8	-68.8	-177.1	68.9	0	0	113.5	N873 I874 R875 N879 N880 P883 L1016 K1017 Y1020	N873-M877 WeakPolarHBondContact O-CG 3.48Å; N873-M877 PolarHBondContact O-N 3.04Å; I874-M877 CarbonylContact O-C 3.59Å; I874-M877 PolarHBondContact O-N 3.24Å; I874-M877 VanDerWaalsContact O-N 3.12Å; R875-M877 PolarHBondContact O-N 2.99Å; M877-N879 PolarHBondContact O-N 3.47Å; M877-N880 WeakPolarHBondContact O-CA 3.47Å; M877-N880 PolarHBondContact O-N 2.89Å; M877-P883 HydrophobicContact SD-CG 4.46Å; M877-L1016 HydrophobicContact SD-CD2 4.27Å; M877-L1016 HydrophobicContact SD-CG 4.18Å; M877-K1017 HydrophobicContact CE-CB 4.44Å; M877-K1017 HydrophobicContact CE-CG 3.94Å; M877-K1017 HydrophobicContact SD-CG 4.48Å; M877-Y1020 HydrophobicContact CB-CD2 3.87Å; M877-Y1020 HydrophobicContact CB-CE2 3.68Å; M877-Y1020 HydrophobicContact CE-CD1 3.63Å; M877-Y1020 HydrophobicContact CE-CD2 3.85Å; M877-Y1020 HydrophobicContact CE-CE1 4.27Å; M877-Y1020 HydrophobicContact CE-CE2 4.44Å; M877-Y1020 HydrophobicContact CE-CG 3.4Å; M877-Y1020 PolarHBondContact O-OH 2.93Å; M877-Y1020 HydrophobicContact SD-CD2 4.26Å; M877-Y1020 HydrophobicContact SD-CG 4.27Å
878	L	95.4	Very high	95.7	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-34	171.9	-70.7	171.8	0	0	0	111.5	I874 R875 R876 N880 Y1020 K1163 W1166 N1167 L1170	I874-L878 HydrophobicContact CG2-CD1 4.05Å; I874-L878 HydrophobicContact CG2-CG 4.27Å; I874-L878 WeakPolarHBondContact O-CG 3.38Å; I874-L878 PolarHBondContact O-N 2.85Å; R875-L878 WeakPolarHBondContact O-CB 3.34Å; R875-L878 PolarHBondContact O-N 2.78Å; R876-L878 PolarHBondContact O-N 2.9Å; L878-N880 PolarHBondContact O-N 2.92Å; L878-Y1020 HydrophobicContact CD2-CE2 3.94Å; L878-Y1020 HydrophobicContact CG-CE2 4.24Å; L878-K1163 HydrophobicContact CD2-CB 3.94Å; L878-K1163 HydrophobicContact CD2-CD 4.27Å; L878-K1163 HydrophobicContact CD2-CG 3.79Å; L878-K1163 PolarHBondContact O-NZ 3.36Å; L878-W1166 HydrophobicContact CD1-CB 4.29Å; L878-W1166 HydrophobicContact CD1-CD2 4.47Å; L878-W1166 HydrophobicContact CD1-CG 4.36Å; L878-W1166 HydrophobicContact CD2-CD2 4.34Å; L878-W1166 HydrophobicContact CD2-CE3 3.72Å; L878-W1166 HydrophobicContact CD2-CZ3 4.23Å; L878-N1167 VanDerWaalsContact CD1-OD1 3.27Å; L878-N1167 WeakPolarHBondContact CD1-OD1 3.3Å; L878-L1170 HydrophobicContact CD1-CD1 4.27Å
879	N	95.1	Very high	95.7	Very high	104 Å²	104	56 Å²	56	56%	0.556	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	9	172.6	-64.2	-20.7	0	0	0	113.9	R875 R876 M877 E881	R875-N879 PolarHBondContact O-N 2.95Å; R875-N879 PolarHBondContact O-ND2 3.01Å; R876-N879 CarbonylContact O-C 3.53Å; R876-N879 WeakPolarHBondContact O-CA 3.21Å; R876-N879 WeakPolarHBondContact O-CB 3.34Å; R876-N879 PolarHBondContact O-N 3.18Å; M877-N879 PolarHBondContact O-N 3.47Å; N879-E881 VanDerWaalsContact C-N 3.3Å; N879-E881 PolarHBondContact O-N 2.96Å
880	N	93.7	Very high	95.6	Very high	133 Å²	133	54.4 Å²	54.4	71%	0.711	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	29.6	-177.8	-43.2	-57.2	0	0	0	114.5	R876 M877 L878 K1163	R876-N880 PolarHBondContact O-N 2.8Å; M877-N880 WeakPolarHBondContact O-CA 3.47Å; M877-N880 PolarHBondContact O-N 2.89Å; L878-N880 PolarHBondContact O-N 2.92Å; N880-K1163 PolarHBondContact OD1-NZ 3.45Å
881	E	95.4	Very high	95.5	Very high	91 Å²	91	55.2 Å²	55.2	43%	0.425	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-96.6	155	170.9	-60.3	176.9	-159.7	0	0	111.7	R876 N879	R876-E881 HydrophobicContact CB-CB 4.04Å; R876-E881 IonicContact CZ-OE2 2.78Å; R876-E881 IonicContact NE-OE2 3.48Å; R876-E881 PolarHBondContact NE-OE2 2.87Å; R876-E881 IonicContact NH2-OE2 2.6Å; R876-E881 PolarHBondContact NH2-OE2 3.48Å; R876-E881 WeakPolarHBondContact O-CB 3.23Å; R876-E881 PolarHBondContact O-N 3.45Å; N879-E881 VanDerWaalsContact C-N 3.3Å; N879-E881 PolarHBondContact O-N 2.96Å
882	E	93.8	Very high	95.2	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.593	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-71.9	140.6	172.9	-74.8	-67.7	142.9	0	0	111.5	R876 K1017	R876-E882 PolarHBondContact NH1-O 2.62Å; R876-E882 PolarHBondContact NH2-O 2.84Å; E882-K1017 WeakPolarHBondContact OE2-CE 3.48Å; E882-K1017 IonicContact OE2-NZ 3.82Å; E882-K1017 PolarHBondContact OE2-NZ 2.78Å
883	P	95.6	Very high	95.1	Very high	16 Å²	16	57.4 Å²	57.4	10%	0.104	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.5	148.5	178.5	28.7	-34.9	0	0	0	112.1	N873 M877 E1013 L1016	N873-P883 HydrophobicContact CB-CB 4.14Å; M877-P883 HydrophobicContact SD-CG 4.46Å; P883-E1013 HydrophobicContact CG-CB 4.17Å; P883-E1013 HydrophobicContact CG-CG 4.4Å; P883-L1016 HydrophobicContact CB-CD2 4.2Å
884	N	94.7	Very high	94.8	Very high	83 Å²	83	62.7 Å²	62.7	44%	0.444	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-76.2	144.2	172.6	-79.1	-29.1	0	0	0	110.7	N873 R876 M886	N873-N884 PolarHBondContact ND2-O 3.5Å; N873-N884 WeakPolarHBondContact OD1-CB 3.29Å; N873-N884 PolarHBondContact OD1-N 3.07Å; R876-N884 VanDerWaalsContact NH1-N 3.18Å; R876-N884 PolarHBondContact NH1-ND2 3.3Å; R876-N884 PolarHBondContact NH1-OD1 3.09Å; N884-M886 PolarHBondContact O-N 2.84Å
885	P	92.8	Very high	94.6	Very high	107 Å²	107	63.5 Å²	63.5	70%	0.695	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-58.5	130.8	172.4	-22.8	33.1	0	0	0	112	E1013	P885-E1013 VanDerWaalsContact CA-OE1 3.26Å; P885-E1013 WeakPolarHBondContact CA-OE1 3.31Å
886	M	93.6	Very high	94.3	Very high	12 Å²	12	62.8 Å²	62.8	6%	0.059	31%	0.312	C	S	.	.			trans	-106.8	147.4	-178.1	-57.7	178.5	-72.9	0	0	111.4	L847 Y865 E869 L870 N873 N884 A1012 E1013 L1016	L847-M886 HydrophobicContact CD1-CE 4.34Å; Y865-M886 HydrophobicContact CD1-CB 3.66Å; Y865-M886 HydrophobicContact CE1-CB 3.8Å; E869-M886 HydrophobicContact CG-CG 4.04Å; E869-M886 HydrophobicContact CG-SD 4.43Å; L870-M886 HydrophobicContact CD2-CE 3.91Å; L870-M886 HydrophobicContact CD2-SD 3.59Å; L870-M886 VanDerWaalsContact CD2-SD 3.59Å; L870-M886 HydrophobicContact CG-SD 4.27Å; N873-M886 VanDerWaalsContact ND2-CG 3.27Å; N873-M886 WeakPolarHBondContact ND2-CG 3.27Å; N873-M886 PolarHBondContact ND2-SD 3.12Å; N884-M886 PolarHBondContact O-N 2.84Å; M886-A1012 HydrophobicContact CE-CB 3.84Å; M886-E1013 PolarHBondContact N-OE1 3.25Å; M886-L1016 HydrophobicContact CE-CD2 4.29Å
887	K	92.8	Very high	94.2	Very high	121 Å²	121	60.6 Å²	60.6	53%	0.526	31%	0.306	S	S	.	.			trans	-109.1	149.6	172.6	65.3	-177.7	179.7	-178.9	0	111.1	Y865 W889 F905	Y865-K887 VanDerWaalsContact CD1-O 3.31Å; Y865-K887 WeakPolarHBondContact CD1-O 3.33Å; K887-W889 PolarHBondContact O-N 2.96Å; K887-F905 HydrophobicContact CB-CE1 4.25Å
888	P	95.9	Very high	93.9	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.013	32%	0.319	C	S	.	.			trans	-52.1	138.3	173	-28.2	36.1	0	0	0	112	P863 N864 Y890 I897 F905 I992	P863-P888 HydrophobicContact CB-CB 4.08Å; P863-P888 HydrophobicContact CB-CG 4.18Å; P863-P888 HydrophobicContact CG-CB 4.35Å; P863-P888 HydrophobicContact CG-CG 3.96Å; N864-P888 CarbonylContact O-C 3.58Å; N864-P888 VanDerWaalsContact O-CA 3.27Å; N864-P888 WeakPolarHBondContact O-CA 3.43Å; P888-Y890 HydrophobicContact CB-CE2 4.39Å; P888-I897 HydrophobicContact CB-CD1 4.44Å; P888-I897 HydrophobicContact CB-CG2 4.47Å; P888-I897 WeakPolarHBondContact O-CD1 3.44Å; P888-F905 HydrophobicContact CG-CD1 4.32Å; P888-F905 HydrophobicContact CG-CD2 3.88Å; P888-F905 HydrophobicContact CG-CE1 4.46Å; P888-F905 HydrophobicContact CG-CE2 4.06Å; P888-F905 HydrophobicContact CG-CG 4.04Å; P888-F905 HydrophobicContact CG-CZ 4.35Å; P888-I992 HydrophobicContact CG-CG2 4.5Å
889	W	96.9	Very high	93.6	Very high	79 Å²	79	69.1 Å²	69.1	30%	0.299	35%	0.345	S	S	.	.			trans	-146.9	138	-177.3	-179.1	91.5	0	0	0	110.7	N778 N864 N866 K887 K891	N778-W889 HydrophobicContact CB-CZ3 4.3Å; N778-W889 VanDerWaalsContact ND2-CE3 3.31Å; N778-W889 PolarHBondContact ND2-O 3.15Å; N864-W889 CarbonylContact C-O 3.56Å; N864-W889 VanDerWaalsContact C-O 3.3Å; N864-W889 WeakPolarHBondContact CB-O 3.37Å; N864-W889 PolarHBondContact O-N 2.88Å; N866-W889 HydrophobicContact CB-CB 4.09Å; N866-W889 HydrophobicContact CB-CD2 3.85Å; N866-W889 HydrophobicContact CB-CE3 3.93Å; N866-W889 HydrophobicContact CB-CG 3.92Å; K887-W889 PolarHBondContact O-N 2.96Å; W889-K891 VanDerWaalsContact CH2-CA 3.5Å; W889-K891 HydrophobicContact CH2-CB 3.94Å; W889-K891 HydrophobicContact CH2-CG 4.39Å; W889-K891 HydrophobicContact CZ3-CB 4.06Å
890	Y	96.2	Very high	93.2	Very high	18 Å²	18	65.9 Å²	65.9	7%	0.071	33%	0.329	C	S	.	.			trans	-127.5	131.8	-177.4	-64.7	-91.9	0	0	0	110.2	N778 N864 P888 N892 F893 I897 I926 I992	N778-Y890 WeakPolarHBondContact OD1-CA 3.43Å; N864-Y890 HydrophobicContact CB-CD1 3.88Å; N864-Y890 HydrophobicContact CB-CE1 3.7Å; N864-Y890 VanDerWaalsContact CG-CE1 3.46Å; N864-Y890 WeakPolarHBondContact OD1-CE1 3.37Å; P888-Y890 HydrophobicContact CB-CE2 4.39Å; Y890-N892 PolarHBondContact O-N 2.63Å; Y890-F893 WeakPolarHBondContact O-CB 3.26Å; Y890-F893 PolarHBondContact O-N 3.07Å; Y890-I897 HydrophobicContact CD2-CD1 4.01Å; Y890-I897 HydrophobicContact CE2-CD1 4.21Å; Y890-I926 HydrophobicContact CD1-CD1 4.3Å; Y890-I926 HydrophobicContact CD1-CG2 4.25Å; Y890-I926 HydrophobicContact CD2-CD1 3.96Å; Y890-I926 HydrophobicContact CD2-CG1 3.69Å; Y890-I926 HydrophobicContact CD2-CG2 4.42Å; Y890-I926 HydrophobicContact CE1-CG2 3.89Å; Y890-I926 HydrophobicContact CE2-CB 4.42Å; Y890-I926 HydrophobicContact CE2-CG1 3.96Å; Y890-I926 HydrophobicContact CE2-CG2 4.08Å; Y890-I926 HydrophobicContact CG-CD1 3.79Å; Y890-I926 HydrophobicContact CG-CG1 4.04Å; Y890-I926 HydrophobicContact CG-CG2 4.5Å; Y890-I992 HydrophobicContact CE2-CD1 4.16Å
891	K	94.3	Very high	92.8	Very high	16 Å²	16	60.5 Å²	60.5	7%	0.07	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	133.8	179.1	-175.7	175.8	175.4	-174.5	0	110.8	N778 W889 F893 E1184	N778-K891 VanDerWaalsContact O-CD 3.29Å; N778-K891 WeakPolarHBondContact O-CD 3.37Å; N778-K891 PolarHBondContact OD1-N 3.2Å; W889-K891 VanDerWaalsContact CH2-CA 3.5Å; W889-K891 HydrophobicContact CH2-CB 3.94Å; W889-K891 HydrophobicContact CH2-CG 4.39Å; W889-K891 HydrophobicContact CZ3-CB 4.06Å; K891-F893 PolarHBondContact O-N 3.39Å; K891-E1184 WeakPolarHBondContact CE-OE2 3.32Å; K891-E1184 IonicContact NZ-OE1 2.84Å; K891-E1184 PolarHBondContact NZ-OE1 3Å; K891-E1184 IonicContact NZ-OE2 3.27Å; K891-E1184 PolarHBondContact NZ-OE2 2.99Å
892	N	92	Very high	92.2	Very high	108 Å²	108	60.4 Å²	60.4	58%	0.578	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	4.9	-179.6	-59.8	-31.7	0	0	0	116.6	V774 Y890 R894	V774-N892 HydrophobicContact CG2-CB 3.82Å; Y890-N892 PolarHBondContact O-N 2.63Å; N892-R894 PolarHBondContact O-N 3.35Å
893	F	94.6	Very high	91.8	Very high	27 Å²	27	55.7 Å²	55.7	12%	0.118	29%	0.287	C	S	.	.			trans	-70.9	128.2	174.4	-179	-116.8	0	0	0	111	V774 Y890 K891 G895 I897 C907 E923 L924 I926	V774-F893 HydrophobicContact CG1-CB 3.83Å; V774-F893 HydrophobicContact CG1-CD2 3.96Å; V774-F893 HydrophobicContact CG1-CG 4.37Å; Y890-F893 WeakPolarHBondContact O-CB 3.26Å; Y890-F893 PolarHBondContact O-N 3.07Å; K891-F893 PolarHBondContact O-N 3.39Å; F893-G895 VanDerWaalsContact CE1-CA 3.4Å; F893-I897 HydrophobicContact CD1-CD1 4.34Å; F893-I897 HydrophobicContact CE1-CD1 4.2Å; F893-I897 HydrophobicContact CE1-CG1 3.96Å; F893-C907 WeakPolarHBondContact CZ-SG 3.21Å; F893-E923 HydrophobicContact CD2-CG 3.91Å; F893-E923 HydrophobicContact CE2-CG 3.49Å; F893-E923 VanDerWaalsContact CE2-CG 3.49Å; F893-E923 HydrophobicContact CZ-CG 4.24Å; F893-L924 WeakPolarHBondContact CE2-O 3.31Å; F893-I926 HydrophobicContact CB-CD1 4.2Å; F893-I926 HydrophobicContact CD1-CD1 4.44Å; F893-I926 HydrophobicContact CD2-CD1 3.51Å; F893-I926 HydrophobicContact CD2-CG1 4.15Å; F893-I926 HydrophobicContact CE2-CD1 3.92Å; F893-I926 HydrophobicContact CE2-CG1 4.12Å; F893-I926 HydrophobicContact CG-CD1 3.8Å; F893-I926 HydrophobicContact CG-CG1 4.36Å; F893-I926 HydrophobicContact CZ-CG1 4.3Å
894	R	91.4	Very high	91.5	Very high	113 Å²	113	58.7 Å²	58.7	43%	0.426	30%	0.296	S	S	.	.			trans	-100	-5.6	-176.6	-62.3	-174.3	-66	-120	5.7	114.4	N892 N910 T922 E923	N892-R894 PolarHBondContact O-N 3.35Å; R894-N910 PolarHBondContact O-ND2 3.31Å; R894-T922 PolarHBondContact NH2-O 2.83Å; R894-E923 HydrophobicContact CB-CG 4.45Å; R894-E923 PolarHBondContact N-OE2 3.06Å
895	G	91.3	Very high	91.3	Very high	17 Å²	17	55 Å²	55	18%	0.175	28%	0.276	C	S	.	.	S	Bend	trans	-81.3	-176	-177.2	0	0	0	0	0	112.9	F893 F908 N910	F893-G895 VanDerWaalsContact CE1-CA 3.4Å; G895-F908 VanDerWaalsContact CA-O 3.31Å; G895-F908 WeakPolarHBondContact CA-O 3.49Å; G895-N910 WeakPolarHBondContact CA-OD1 3.5Å
896	V	92.2	Very high	91.3	Very high	54 Å²	54	50 Å²	50	33%	0.327	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.4	-177.6	-173.9	0	0	0	0	109.8	E898 F908	V896-E898 HydrophobicContact CG1-CG 3.91Å; V896-F908 PolarHBondContact N-O 3.22Å; V896-F908 PolarHBondContact O-N 2.88Å
897	I	94	Very high	91.3	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.3	171.4	-60.7	175.5	0	0	0	108.1	P888 Y890 F893 F905 V906 C907 I992	P888-I897 HydrophobicContact CB-CD1 4.44Å; P888-I897 HydrophobicContact CB-CG2 4.47Å; P888-I897 WeakPolarHBondContact O-CD1 3.44Å; Y890-I897 HydrophobicContact CD2-CD1 4.01Å; Y890-I897 HydrophobicContact CE2-CD1 4.21Å; F893-I897 HydrophobicContact CD1-CD1 4.34Å; F893-I897 HydrophobicContact CE1-CD1 4.2Å; F893-I897 HydrophobicContact CE1-CG1 3.96Å; I897-F905 HydrophobicContact CG2-CB 3.99Å; I897-F905 HydrophobicContact CG2-CD1 4.3Å; I897-F905 HydrophobicContact CG2-CG 4.48Å; I897-V906 WeakPolarHBondContact CA-O 3.37Å; I897-C907 HydrophobicContact CG1-CB 4.25Å; I897-I992 HydrophobicContact CD1-CD1 4.44Å
898	E	90.5	Very high	91.4	Very high	83 Å²	83	43.8 Å²	43.8	39%	0.388	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.8	179.1	-70	-170.9	169.8	0	0	111.5	V896 F905 V906 V1223	V896-E898 HydrophobicContact CG1-CG 3.91Å; E898-F905 CarbonylContact O-C 3.41Å; E898-F905 VanDerWaalsContact O-CA 3.23Å; E898-F905 WeakPolarHBondContact O-CA 3.15Å; E898-V906 PolarHBondContact N-O 3.17Å; E898-V906 PolarHBondContact O-N 2.98Å; E898-V1223 WeakPolarHBondContact OE2-CG2 3.27Å
899	Q	89.6	Confident	91.2	Very high	121 Å²	121	43.7 Å²	43.7	57%	0.565	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.3	174.6	-167	173.2	15.4	0	0	110.2	S901 P902 F905	Q899-S901 VanDerWaalsContact CG-O 3.31Å; Q899-S901 WeakPolarHBondContact CG-O 3.29Å; Q899-P902 PolarHBondContact NE2-O 3.44Å; Q899-F905 HydrophobicContact CB-CD1 3.7Å; Q899-F905 HydrophobicContact CB-CE1 3.63Å; Q899-F905 HydrophobicContact CG-CD1 3.93Å; Q899-F905 HydrophobicContact CG-CE1 3.6Å; Q899-F905 HydrophobicContact CG-CZ 4.08Å
900	V	86.7	Confident	91.1	Very high	37 Å²	37	42 Å²	42	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-27.8	-179.6	-177.5	0	0	0	0	111.6	R904 V906 V1223 R1228 A1231	V900-R904 PolarHBondContact N-O 3.18Å; V900-V906 HydrophobicContact CB-CG2 4.47Å; V900-V906 HydrophobicContact CG2-CB 4.12Å; V900-V906 HydrophobicContact CG2-CG2 3.48Å; V900-V906 VanDerWaalsContact CG2-CG2 3.48Å; V900-V1223 HydrophobicContact CG1-CG1 4Å; V900-V1223 HydrophobicContact CG2-CG1 3.76Å; V900-V1223 HydrophobicContact CG2-CG2 4.18Å; V900-R1228 HydrophobicContact CG1-CG 4.03Å; V900-A1231 HydrophobicContact CG1-CB 4.24Å
901	S	84.2	Confident	91	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	166.9	172.4	69.1	0	0	0	0	109	Q899 E903 R904	Q899-S901 VanDerWaalsContact CG-O 3.31Å; Q899-S901 WeakPolarHBondContact CG-O 3.29Å; S901-E903 PolarHBondContact O-N 3.4Å; S901-R904 PolarHBondContact N-O 2.88Å; S901-R904 VanDerWaalsContact N-O 3.15Å; S901-R904 PolarHBondContact O-N 3.2Å; S901-R904 VanDerWaalsContact O-N 3.09Å; S901-R904 VanDerWaalsContact O-O 3.06Å; S901-R904 WeakPolarHBondContact OG-CB 3.43Å; S901-R904 PolarHBondContact OG-N 3.32Å
902	P	82.9	Confident	91	Very high	89 Å²	89	41.1 Å²	41.1	58%	0.578	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-37	-179.7	-30.3	36.5	0	0	0	114	Q899	Q899-P902 PolarHBondContact NE2-O 3.44Å
903	E	84.8	Confident	90.9	Very high	29 Å²	29	40.4 Å²	40.4	14%	0.136	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	5.2	-177	-59.4	-176.8	165	0	0	115.2	S901 S993 I994 S995 K1238	S901-E903 PolarHBondContact O-N 3.4Å; E903-S993 WeakPolarHBondContact O-CA 3.3Å; E903-S993 PolarHBondContact O-OG 2.94Å; E903-I994 HydrophobicContact CB-CG1 4.11Å; E903-I994 WeakPolarHBondContact O-CG1 3.26Å; E903-I994 PolarHBondContact O-N 2.98Å; E903-S995 WeakPolarHBondContact OE2-CB 3.49Å; E903-K1238 IonicContact OE1-NZ 2.72Å; E903-K1238 PolarHBondContact OE1-NZ 3.13Å; E903-K1238 IonicContact OE2-NZ 3.16Å; E903-K1238 PolarHBondContact OE2-NZ 3.22Å
904	R	89.2	Confident	90.7	Very high	79 Å²	79	42 Å²	42	30%	0.298	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.8	-178.3	-64.9	-172.6	178.1	-165.8	-0.9	113.1	V900 S901 I992	V900-R904 PolarHBondContact N-O 3.18Å; S901-R904 PolarHBondContact N-O 2.88Å; S901-R904 VanDerWaalsContact N-O 3.15Å; S901-R904 PolarHBondContact O-N 3.2Å; S901-R904 VanDerWaalsContact O-N 3.09Å; S901-R904 VanDerWaalsContact O-O 3.06Å; S901-R904 WeakPolarHBondContact OG-CB 3.43Å; S901-R904 PolarHBondContact OG-N 3.32Å; R904-I992 WeakPolarHBondContact CA-O 3.03Å
905	F	91.9	Very high	90.6	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.9	172.5	-55.4	-97.9	0	0	0	109.6	K887 P888 I897 E898 Q899 S991 I992 I994	K887-F905 HydrophobicContact CB-CE1 4.25Å; P888-F905 HydrophobicContact CG-CD1 4.32Å; P888-F905 HydrophobicContact CG-CD2 3.88Å; P888-F905 HydrophobicContact CG-CE1 4.46Å; P888-F905 HydrophobicContact CG-CE2 4.06Å; P888-F905 HydrophobicContact CG-CG 4.04Å; P888-F905 HydrophobicContact CG-CZ 4.35Å; I897-F905 HydrophobicContact CG2-CB 3.99Å; I897-F905 HydrophobicContact CG2-CD1 4.3Å; I897-F905 HydrophobicContact CG2-CG 4.48Å; E898-F905 CarbonylContact O-C 3.41Å; E898-F905 VanDerWaalsContact O-CA 3.23Å; E898-F905 WeakPolarHBondContact O-CA 3.15Å; Q899-F905 HydrophobicContact CB-CD1 3.7Å; Q899-F905 HydrophobicContact CB-CE1 3.63Å; Q899-F905 HydrophobicContact CG-CD1 3.93Å; Q899-F905 HydrophobicContact CG-CE1 3.6Å; Q899-F905 HydrophobicContact CG-CZ 4.08Å; F905-S991 WeakPolarHBondContact O-CA 3.42Å; F905-I992 HydrophobicContact CB-CB 4.28Å; F905-I992 PolarHBondContact N-O 3.41Å; F905-I992 PolarHBondContact O-N 3.32Å; F905-I994 HydrophobicContact CD2-CG2 4.38Å; F905-I994 HydrophobicContact CE2-CD1 4.05Å; F905-I994 HydrophobicContact CE2-CG1 4.25Å; F905-I994 HydrophobicContact CE2-CG2 4.01Å
906	V	92.1	Very high	90.3	Very high	4 Å²	4	42 Å²	42	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.4	170	179.8	0	0	0	0	108.1	I897 E898 V900 F908 Q989 S990 F1227	I897-V906 WeakPolarHBondContact CA-O 3.37Å; E898-V906 PolarHBondContact N-O 3.17Å; E898-V906 PolarHBondContact O-N 2.98Å; V900-V906 HydrophobicContact CB-CG2 4.47Å; V900-V906 HydrophobicContact CG2-CB 4.12Å; V900-V906 HydrophobicContact CG2-CG2 3.48Å; V900-V906 VanDerWaalsContact CG2-CG2 3.48Å; V906-F908 HydrophobicContact CB-CE2 3.99Å; V906-F908 HydrophobicContact CB-CZ 4.05Å; V906-F908 HydrophobicContact CG1-CD1 4.16Å; V906-F908 HydrophobicContact CG1-CD2 4.14Å; V906-F908 HydrophobicContact CG1-CE1 3.63Å; V906-F908 HydrophobicContact CG1-CE2 3.62Å; V906-F908 HydrophobicContact CG1-CG 4.4Å; V906-F908 HydrophobicContact CG1-CZ 3.34Å; V906-Q989 HydrophobicContact CG1-CB 4.22Å; V906-S990 CarbonylContact C-O 3.47Å; V906-S990 WeakPolarHBondContact CA-O 3.43Å; V906-F1227 HydrophobicContact CG2-CD1 4.05Å; V906-F1227 HydrophobicContact CG2-CE1 4.45Å; V906-F1227 HydrophobicContact CG2-CG 4.41Å
907	C	93.8	Very high	90.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.7	177.5	177.3	0	0	0	0	108.7	F893 I897 I926 Q989 S990 I992	F893-C907 WeakPolarHBondContact CZ-SG 3.21Å; I897-C907 HydrophobicContact CG1-CB 4.25Å; C907-I926 PolarHBondContact SG-N 2.69Å; C907-I926 VanDerWaalsContact SG-N 3.37Å; C907-Q989 WeakPolarHBondContact O-CA 3.36Å; C907-S990 PolarHBondContact N-O 2.92Å; C907-S990 PolarHBondContact O-N 3.11Å; C907-I992 HydrophobicContact CB-CD1 3.97Å; C907-I992 HydrophobicContact CB-CG1 4.34Å
908	F	94.4	Very high	90.2	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135	-178.3	-63.8	-76.4	0	0	0	111.3	G895 V896 V906 H983 L988 Q989 P1221 V1223	G895-F908 VanDerWaalsContact CA-O 3.31Å; G895-F908 WeakPolarHBondContact CA-O 3.49Å; V896-F908 PolarHBondContact N-O 3.22Å; V896-F908 PolarHBondContact O-N 2.88Å; V906-F908 HydrophobicContact CB-CE2 3.99Å; V906-F908 HydrophobicContact CB-CZ 4.05Å; V906-F908 HydrophobicContact CG1-CD1 4.16Å; V906-F908 HydrophobicContact CG1-CD2 4.14Å; V906-F908 HydrophobicContact CG1-CE1 3.63Å; V906-F908 HydrophobicContact CG1-CE2 3.62Å; V906-F908 HydrophobicContact CG1-CG 4.4Å; V906-F908 HydrophobicContact CG1-CZ 3.34Å; F908-H983 HydrophobicContact CD1-CB 4.34Å; F908-H983 AromaticContact CD1-CD2 3.72Å; F908-L988 WeakPolarHBondContact CA-O 3.12Å; F908-Q989 HydrophobicContact CD1-CB 3.74Å; F908-Q989 HydrophobicContact CE1-CB 3.81Å; F908-P1221 HydrophobicContact CB-CB 3.94Å; F908-P1221 HydrophobicContact CB-CG 3.98Å; F908-P1221 HydrophobicContact CD1-CB 3.35Å; F908-P1221 HydrophobicContact CD1-CG 4.25Å; F908-P1221 HydrophobicContact CD2-CB 3.71Å; F908-P1221 HydrophobicContact CD2-CG 3.81Å; F908-P1221 HydrophobicContact CE1-CB 3.61Å; F908-P1221 HydrophobicContact CE2-CB 3.94Å; F908-P1221 HydrophobicContact CE2-CG 4.3Å; F908-P1221 HydrophobicContact CG-CB 3.39Å; F908-P1221 HydrophobicContact CG-CG 3.76Å; F908-P1221 HydrophobicContact CZ-CB 3.89Å; F908-V1223 HydrophobicContact CE2-CG2 4.22Å; F908-V1223 HydrophobicContact CZ-CG2 4.03Å
909	G	93.3	Very high	90.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.203	C	C	.	.			trans	-75.8	165	163.6	0	0	0	0	0	112	E923 H983 L988	G909-E923 CarbonylContact C-O 3.57Å; G909-E923 WeakPolarHBondContact CA-O 3.46Å; G909-H983 PolarHBondContact O-CD2 3.49Å; G909-H983 PolarHBondContact O-NE2 3.33Å; G909-L988 PolarHBondContact N-O 3.01Å
910	N	94.1	Very high	90.6	Very high	44 Å²	44	32.5 Å²	32.5	24%	0.235	18%	0.177	C	C	.	.			trans	-97.3	137.2	-179.9	-70.3	-13.5	0	0	0	110.4	R894 G895 I921 T922 E923	R894-N910 PolarHBondContact O-ND2 3.31Å; G895-N910 WeakPolarHBondContact CA-OD1 3.5Å; N910-I921 WeakPolarHBondContact O-CA 3.38Å; N910-T922 VanDerWaalsContact CB-OG1 3.32Å; N910-T922 WeakPolarHBondContact CB-OG1 3.39Å; N910-T922 PolarHBondContact O-N 3.29Å; N910-E923 HydrophobicContact CB-CB 3.74Å; N910-E923 PolarHBondContact N-O 3.49Å; N910-E923 VanDerWaalsContact N-O 3.1Å
911	V	94.1	Very high	91	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	137.7	-179.9	54.7	0	0	0	0	109.7	I919 E920 I921 V982 L988 L1219	V911-I919 HydrophobicContact CG2-CB 4.22Å; V911-I919 HydrophobicContact CG2-CD1 4.16Å; V911-E920 CarbonylContact C-O 3.51Å; V911-E920 WeakPolarHBondContact CA-O 3.42Å; V911-I921 HydrophobicContact CG2-CG1 4.18Å; V911-V982 HydrophobicContact CB-CG1 4.16Å; V911-V982 HydrophobicContact CG1-CG1 3.28Å; V911-V982 HydrophobicContact CG2-CG1 3.88Å; V911-L988 HydrophobicContact CB-CD1 3.82Å; V911-L988 HydrophobicContact CG1-CD1 3.99Å; V911-L988 HydrophobicContact CG2-CD1 4.31Å; V911-L1219 HydrophobicContact CG1-CB 4.18Å; V911-L1219 HydrophobicContact CG2-CD1 4.35Å; V911-L1219 PolarHBondContact O-N 2.68Å
912	A	93	Very high	91.4	Very high	9 Å²	9	30.4 Å²	30.4	7%	0.074	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.2	179.7	0	0	0	0	0	110.7	I919 E920 V1217	A912-I919 CarbonylContact O-C 3.59Å; A912-I919 VanDerWaalsContact O-CA 3.27Å; A912-I919 WeakPolarHBondContact O-CA 3.2Å; A912-E920 HydrophobicContact CB-CG 3.91Å; A912-E920 PolarHBondContact N-O 2.75Å; A912-E920 PolarHBondContact O-N 3.37Å; A912-V1217 CarbonylContact C-O 3.46Å; A912-V1217 VanDerWaalsContact CA-O 3.24Å; A912-V1217 WeakPolarHBondContact CA-O 3.36Å; A912-V1217 WeakPolarHBondContact CB-O 3.13Å
913	R	91.2	Very high	92	Very high	93 Å²	93	26.1 Å²	26.1	35%	0.351	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.8	171.7	-173.7	-176.9	-175.1	-176.4	6.5	108.8	S915 P916 M975 V1217	R913-S915 VanDerWaalsContact CG-O 3.26Å; R913-S915 WeakPolarHBondContact CG-O 3.2Å; R913-S915 PolarHBondContact NE-O 3.38Å; R913-P916 PolarHBondContact NE-O 2.87Å; R913-P916 PolarHBondContact NH2-O 2.84Å; R913-M975 HydrophobicContact CG-CE 4.19Å; R913-V1217 PolarHBondContact N-O 3.3Å; R913-V1217 PolarHBondContact O-N 3.29Å
914	I	90.6	Very high	92.5	Very high	60 Å²	60	24.8 Å²	24.8	31%	0.308	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-22.7	-179.5	46.5	161.6	0	0	0	113.1	T918 E920 V967	I914-T918 HydrophobicContact CD1-CG2 3.55Å; I914-T918 HydrophobicContact CG1-CG2 3.79Å; I914-T918 WeakPolarHBondContact CG1-O 3.47Å; I914-T918 PolarHBondContact N-O 3.1Å; I914-E920 HydrophobicContact CD1-CB 4.46Å; I914-E920 HydrophobicContact CG2-CG 3.86Å; I914-V967 HydrophobicContact CD1-CG1 3.87Å
915	S	87.9	Confident	92.7	Very high	42 Å²	42	21 Å²	21	29%	0.294	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	172.8	174.5	92.3	0	0	0	0	110.2	R913 N917 T918	R913-S915 VanDerWaalsContact CG-O 3.26Å; R913-S915 WeakPolarHBondContact CG-O 3.2Å; R913-S915 PolarHBondContact NE-O 3.38Å; S915-N917 PolarHBondContact O-N 2.64Å; S915-N917 VanDerWaalsContact O-N 3.09Å; S915-N917 PolarHBondContact OG-N 3.07Å; S915-T918 PolarHBondContact N-O 3.3Å; S915-T918 PolarHBondContact O-N 3.38Å; S915-T918 WeakPolarHBondContact OG-CB 3.43Å; S915-T918 PolarHBondContact OG-N 3.04Å; S915-T918 PolarHBondContact OG-OG1 3.08Å
916	P	86.2	Confident	92.9	Very high	88 Å²	88	21.9 Å²	21.9	57%	0.571	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-38.5	179.7	-30.9	37	0	0	0	114.3	R913 M975	R913-P916 PolarHBondContact NE-O 2.87Å; R913-P916 PolarHBondContact NH2-O 2.84Å; P916-M975 VanDerWaalsContact O-CE 3.29Å; P916-M975 WeakPolarHBondContact O-CE 3.18Å; P916-M975 WeakPolarHBondContact O-CG 3.49Å
917	N	91	Very high	92.9	Very high	58 Å²	58	23.9 Å²	23.9	31%	0.31	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123	14	-176	-59.7	-28.9	0	0	0	113.4	S915 V970	S915-N917 PolarHBondContact O-N 2.64Å; S915-N917 VanDerWaalsContact O-N 3.09Å; S915-N917 PolarHBondContact OG-N 3.07Å; N917-V970 PolarHBondContact O-N 3.2Å
918	T	92.3	Very high	92.8	Very high	16 Å²	16	25.6 Å²	25.6	10%	0.098	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.6	-177.9	-48.1	0	0	0	0	110.7	I914 S915 V967 V968 K969	I914-T918 HydrophobicContact CD1-CG2 3.55Å; I914-T918 HydrophobicContact CG1-CG2 3.79Å; I914-T918 WeakPolarHBondContact CG1-O 3.47Å; I914-T918 PolarHBondContact N-O 3.1Å; S915-T918 PolarHBondContact N-O 3.3Å; S915-T918 PolarHBondContact O-N 3.38Å; S915-T918 WeakPolarHBondContact OG-CB 3.43Å; S915-T918 PolarHBondContact OG-N 3.04Å; S915-T918 PolarHBondContact OG-OG1 3.08Å; T918-V967 HydrophobicContact CG2-CG1 3.5Å; T918-V967 VanDerWaalsContact CG2-CG1 3.5Å; T918-V968 WeakPolarHBondContact CA-O 3.39Å; T918-V968 WeakPolarHBondContact CG2-O 3.39Å; T918-K969 HydrophobicContact CG2-CG 4.2Å
919	I	94	Very high	92.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	153.8	169.8	66.2	174.1	0	0	0	109.9	V911 A912 V967 V968 V970 M975 F986	V911-I919 HydrophobicContact CG2-CB 4.22Å; V911-I919 HydrophobicContact CG2-CD1 4.16Å; A912-I919 CarbonylContact O-C 3.59Å; A912-I919 VanDerWaalsContact O-CA 3.27Å; A912-I919 WeakPolarHBondContact O-CA 3.2Å; I919-V967 CarbonylContact O-C 3.6Å; I919-V968 HydrophobicContact CD1-CB 4.43Å; I919-V968 HydrophobicContact CG1-CB 3.86Å; I919-V968 PolarHBondContact N-O 2.82Å; I919-V968 PolarHBondContact O-N 2.65Å; I919-V970 HydrophobicContact CG1-CG2 4.48Å; I919-M975 HydrophobicContact CG2-CE 3.86Å; I919-F986 HydrophobicContact CD1-CD2 3.7Å; I919-F986 HydrophobicContact CD1-CE1 4.33Å; I919-F986 HydrophobicContact CD1-CE2 3.27Å; I919-F986 HydrophobicContact CD1-CG 4.37Å; I919-F986 HydrophobicContact CD1-CZ 3.64Å
920	E	94.4	Very high	92.9	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.7	167.9	65.7	175.1	-168.9	0	0	110.2	V911 A912 I914 T922 R965 F966 V967 S1213	V911-E920 CarbonylContact C-O 3.51Å; V911-E920 WeakPolarHBondContact CA-O 3.42Å; A912-E920 HydrophobicContact CB-CG 3.91Å; A912-E920 PolarHBondContact N-O 2.75Å; A912-E920 PolarHBondContact O-N 3.37Å; I914-E920 HydrophobicContact CD1-CB 4.46Å; I914-E920 HydrophobicContact CG2-CG 3.86Å; E920-T922 HydrophobicContact CG-CG2 4.32Å; E920-R965 IonicContact OE2-CZ 2.83Å; E920-R965 IonicContact OE2-NE 3.12Å; E920-R965 IonicContact OE2-NH2 3.26Å; E920-R965 PolarHBondContact OE2-NH2 2.86Å; E920-F966 CarbonylContact C-O 3.59Å; E920-F966 WeakPolarHBondContact CA-O 3.42Å; E920-V967 HydrophobicContact CB-CG2 4.2Å; E920-S1213 WeakPolarHBondContact OE1-CB 3.44Å; E920-S1213 PolarHBondContact OE1-N 2.74Å; E920-S1213 WeakPolarHBondContact OE2-CB 3.43Å; E920-S1213 PolarHBondContact OE2-N 3.31Å; E920-S1213 PolarHBondContact OE2-OG 3.33Å
921	I	95	Very high	92.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.6	177	-58	172.7	0	0	0	106.9	N910 V911 L924 Y933 R965 F966 V968 F986 L988	N910-I921 WeakPolarHBondContact O-CA 3.38Å; V911-I921 HydrophobicContact CG2-CG1 4.18Å; I921-L924 HydrophobicContact CG2-CD2 4.02Å; I921-Y933 HydrophobicContact CD1-CE1 4.43Å; I921-Y933 WeakPolarHBondContact CD1-OH 3.41Å; I921-R965 CarbonylContact O-C 3.34Å; I921-R965 WeakPolarHBondContact O-CA 3.29Å; I921-F966 HydrophobicContact CB-CB 4.34Å; I921-F966 PolarHBondContact N-O 2.98Å; I921-F966 PolarHBondContact O-N 2.83Å; I921-V968 HydrophobicContact CD1-CG2 4.21Å; I921-F986 HydrophobicContact CD1-CB 4.42Å; I921-F986 HydrophobicContact CD1-CD1 4.26Å; I921-F986 HydrophobicContact CD1-CG 4.38Å; I921-L988 HydrophobicContact CD1-CD1 4.11Å; I921-L988 HydrophobicContact CD1-CD2 4.33Å; I921-L988 HydrophobicContact CG1-CD1 4.03Å; I921-L988 HydrophobicContact CG2-CD1 4.06Å; I921-L988 HydrophobicContact CG2-CD2 3.67Å
922	T	93.8	Very high	92.8	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.074	18%	0.181	C	C	.	.			trans	-115.8	-3.1	-172	56.1	0	0	0	0	113.8	R894 N910 E920 V964 P1212	R894-T922 PolarHBondContact NH2-O 2.83Å; N910-T922 VanDerWaalsContact CB-OG1 3.32Å; N910-T922 WeakPolarHBondContact CB-OG1 3.39Å; N910-T922 PolarHBondContact O-N 3.29Å; E920-T922 HydrophobicContact CG-CG2 4.32Å; T922-V964 CarbonylContact C-O 3.5Å; T922-V964 VanDerWaalsContact CA-O 3.32Å; T922-V964 WeakPolarHBondContact CA-O 3.01Å; T922-P1212 HydrophobicContact CG2-CB 4.07Å; T922-P1212 HydrophobicContact CG2-CG 4.07Å
923	E	94.3	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.			trans	-155.2	142	174.4	-175.5	60.9	-76.2	0	0	110.7	R791 F893 R894 G909 N910	R791-E923 IonicContact CZ-OE1 3.15Å; R791-E923 IonicContact NH1-OE1 2.62Å; R791-E923 PolarHBondContact NH1-OE1 3.41Å; R791-E923 IonicContact NH1-OE2 2.82Å; R791-E923 PolarHBondContact NH1-OE2 3.31Å; R791-E923 IonicContact NH2-OE1 2.73Å; R791-E923 PolarHBondContact NH2-OE1 2.95Å; F893-E923 HydrophobicContact CD2-CG 3.91Å; F893-E923 HydrophobicContact CE2-CG 3.49Å; F893-E923 VanDerWaalsContact CE2-CG 3.49Å; F893-E923 HydrophobicContact CZ-CG 4.24Å; R894-E923 HydrophobicContact CB-CG 4.45Å; R894-E923 PolarHBondContact N-OE2 3.06Å; G909-E923 CarbonylContact C-O 3.57Å; G909-E923 WeakPolarHBondContact CA-O 3.46Å; N910-E923 HydrophobicContact CB-CB 3.74Å; N910-E923 PolarHBondContact N-O 3.49Å; N910-E923 VanDerWaalsContact N-O 3.1Å
924	L	95.4	Very high	93	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.			trans	-107.5	149.7	174.3	-61.8	178.4	0	0	0	110.6	R791 F893 I921 T928 Y933 V964 L988	R791-L924 PolarHBondContact NH2-O 3.45Å; F893-L924 WeakPolarHBondContact CE2-O 3.31Å; I921-L924 HydrophobicContact CG2-CD2 4.02Å; L924-T928 HydrophobicContact CD1-CG2 4.31Å; L924-Y933 HydrophobicContact CD1-CD1 4.1Å; L924-Y933 HydrophobicContact CD1-CD2 4.41Å; L924-Y933 HydrophobicContact CD1-CG 3.83Å; L924-Y933 HydrophobicContact CD2-CD1 3.8Å; L924-Y933 HydrophobicContact CD2-CD2 3.95Å; L924-Y933 HydrophobicContact CD2-CE1 3.81Å; L924-Y933 HydrophobicContact CD2-CE2 3.96Å; L924-Y933 HydrophobicContact CD2-CG 3.87Å; L924-V964 HydrophobicContact CD1-CG1 4.38Å; L924-V964 HydrophobicContact CD1-CG2 4.27Å; L924-V964 HydrophobicContact CD2-CG1 4.38Å; L924-V964 HydrophobicContact CG-CG1 3.91Å; L924-V964 HydrophobicContact CG-CG2 4.11Å; L924-L988 HydrophobicContact CD2-CD2 3.7Å
925	P	94.9	Very high	93.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.			trans	-56	148	174	-22.9	33.1	0	0	0	112.7	G927 T928 L988 S990	P925-G927 PolarHBondContact O-N 3.42Å; P925-T928 VanDerWaalsContact O-CB 3.25Å; P925-T928 WeakPolarHBondContact O-CB 3.37Å; P925-T928 PolarHBondContact O-N 3.25Å; P925-T928 PolarHBondContact O-OG1 2.87Å; P925-L988 WeakPolarHBondContact CG-O 3.49Å; P925-S990 WeakPolarHBondContact CB-OG 3.32Å
926	I	94.8	Very high	93.3	Very high	23 Å²	23	31.3 Å²	31.3	12%	0.118	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	135	177.6	-60.7	-64.4	0	0	0	110.6	V774 Y890 F893 C907 T928	V774-I926 HydrophobicContact CG1-CD1 3.87Å; Y890-I926 HydrophobicContact CD1-CD1 4.3Å; Y890-I926 HydrophobicContact CD1-CG2 4.25Å; Y890-I926 HydrophobicContact CD2-CD1 3.96Å; Y890-I926 HydrophobicContact CD2-CG1 3.69Å; Y890-I926 HydrophobicContact CD2-CG2 4.42Å; Y890-I926 HydrophobicContact CE1-CG2 3.89Å; Y890-I926 HydrophobicContact CE2-CB 4.42Å; Y890-I926 HydrophobicContact CE2-CG1 3.96Å; Y890-I926 HydrophobicContact CE2-CG2 4.08Å; Y890-I926 HydrophobicContact CG-CD1 3.79Å; Y890-I926 HydrophobicContact CG-CG1 4.04Å; Y890-I926 HydrophobicContact CG-CG2 4.5Å; F893-I926 HydrophobicContact CB-CD1 4.2Å; F893-I926 HydrophobicContact CD1-CD1 4.44Å; F893-I926 HydrophobicContact CD2-CD1 3.51Å; F893-I926 HydrophobicContact CD2-CG1 4.15Å; F893-I926 HydrophobicContact CE2-CD1 3.92Å; F893-I926 HydrophobicContact CE2-CG1 4.12Å; F893-I926 HydrophobicContact CG-CD1 3.8Å; F893-I926 HydrophobicContact CG-CG1 4.36Å; F893-I926 HydrophobicContact CZ-CG1 4.3Å; C907-I926 PolarHBondContact SG-N 2.69Å; C907-I926 VanDerWaalsContact SG-N 3.37Å; I926-T928 VanDerWaalsContact C-N 3.33Å
927	G	91.5	Very high	93.6	Very high	45 Å²	45	27.4 Å²	27.4	46%	0.464	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-1.7	-175.1	0	0	0	0	0	114.9	P925	P925-G927 PolarHBondContact O-N 3.42Å
928	T	93.6	Very high	93.8	Very high	37 Å²	37	24.6 Å²	24.6	23%	0.227	14%	0.141	C	C	.	.			trans	-102.9	113.7	174.7	-48	0	0	0	0	109.8	L924 P925 I926 Y933	L924-T928 HydrophobicContact CD1-CG2 4.31Å; P925-T928 VanDerWaalsContact O-CB 3.25Å; P925-T928 WeakPolarHBondContact O-CB 3.37Å; P925-T928 PolarHBondContact O-N 3.25Å; P925-T928 PolarHBondContact O-OG1 2.87Å; I926-T928 VanDerWaalsContact C-N 3.33Å; T928-Y933 HydrophobicContact CG2-CD2 3.79Å; T928-Y933 HydrophobicContact CG2-CG 4.31Å
929	W	94.5	Very high	93.8	Very high	59 Å²	59	26.8 Å²	26.8	22%	0.223	15%	0.15	C	C	.	.			trans	-92.6	143.6	-175.3	-44.4	126.5	0	0	0	111.9	F773 L792 Q931 T932 Y933	F773-W929 HydrophobicContact CD2-CZ3 4.44Å; F773-W929 HydrophobicContact CE2-CH2 4.12Å; F773-W929 AromaticContact CE2-CZ3 3.99Å; F773-W929 HydrophobicContact CE2-CZ3 3.99Å; L792-W929 WeakPolarHBondContact O-CB 3.48Å; W929-Q931 PolarHBondContact O-N 2.96Å; W929-T932 PolarHBondContact O-N 2.87Å; W929-Y933 VanDerWaalsContact O-CB 3.29Å; W929-Y933 WeakPolarHBondContact O-CB 3.47Å; W929-Y933 PolarHBondContact O-N 2.84Å
930	T	94	Very high	93.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-45.7	-168.6	-48.6	0	0	0	0	113.2	L792 Y933 K934 H959 F966	L792-T930 HydrophobicContact CD2-CG2 4.14Å; L792-T930 PolarHBondContact O-N 2.71Å; T930-Y933 PolarHBondContact O-N 2.98Å; T930-K934 PolarHBondContact O-N 3Å; T930-K934 VanDerWaalsContact O-N 3.09Å; T930-H959 HydrophobicContact CG2-CB 4.02Å; T930-F966 HydrophobicContact CG2-CE2 3.89Å; T930-F966 HydrophobicContact CG2-CZ 3.57Å
931	Q	93.3	Very high	93.5	Very high	52 Å²	52	31.1 Å²	31.1	24%	0.243	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-47.6	-179.5	-175.3	65.2	20.3	0	0	111	L792 Q793 W929 Y933 K934 E935	L792-Q931 VanDerWaalsContact O-CB 3.29Å; L792-Q931 WeakPolarHBondContact O-CB 3.21Å; L792-Q931 PolarHBondContact O-N 2.92Å; Q793-Q931 HydrophobicContact CG-CB 4.33Å; W929-Q931 PolarHBondContact O-N 2.96Å; Q931-Y933 VanDerWaalsContact C-N 3.25Å; Q931-Y933 PolarHBondContact O-N 2.9Å; Q931-K934 WeakPolarHBondContact O-CB 3.41Å; Q931-K934 PolarHBondContact O-N 2.9Å; Q931-E935 WeakPolarHBondContact CG-OE1 3.48Å; Q931-E935 PolarHBondContact NE2-OE1 2.95Å; Q931-E935 WeakPolarHBondContact O-CG 3.39Å; Q931-E935 PolarHBondContact O-N 2.87Å; Q931-E935 VanDerWaalsContact O-N 3.1Å
932	T	93.1	Very high	93.3	Very high	68 Å²	68	33 Å²	33	42%	0.417	19%	0.186	S	C	.	.	H	α-helix	trans	-62	-35.8	177.7	-53	0	0	0	0	111.5	W929 S936	W929-T932 PolarHBondContact O-N 2.87Å; T932-S936 WeakPolarHBondContact O-CB 3.26Å; T932-S936 PolarHBondContact O-N 2.83Å; T932-S936 PolarHBondContact O-OG 3.22Å
933	Y	95.3	Very high	93.1	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-43.5	176.9	180	-98.7	0	0	0	112	I921 L924 T928 W929 T930 Q931 V937 L938 F966 F986 L988	I921-Y933 HydrophobicContact CD1-CE1 4.43Å; I921-Y933 WeakPolarHBondContact CD1-OH 3.41Å; L924-Y933 HydrophobicContact CD1-CD1 4.1Å; L924-Y933 HydrophobicContact CD1-CD2 4.41Å; L924-Y933 HydrophobicContact CD1-CG 3.83Å; L924-Y933 HydrophobicContact CD2-CD1 3.8Å; L924-Y933 HydrophobicContact CD2-CD2 3.95Å; L924-Y933 HydrophobicContact CD2-CE1 3.81Å; L924-Y933 HydrophobicContact CD2-CE2 3.96Å; L924-Y933 HydrophobicContact CD2-CG 3.87Å; T928-Y933 HydrophobicContact CG2-CD2 3.79Å; T928-Y933 HydrophobicContact CG2-CG 4.31Å; W929-Y933 VanDerWaalsContact O-CB 3.29Å; W929-Y933 WeakPolarHBondContact O-CB 3.47Å; W929-Y933 PolarHBondContact O-N 2.84Å; T930-Y933 PolarHBondContact O-N 2.98Å; Q931-Y933 VanDerWaalsContact C-N 3.25Å; Q931-Y933 PolarHBondContact O-N 2.9Å; Y933-V937 HydrophobicContact CD2-CB 4.03Å; Y933-V937 HydrophobicContact CD2-CG2 3.63Å; Y933-V937 HydrophobicContact CE2-CB 3.89Å; Y933-V937 HydrophobicContact CE2-CG1 3.91Å; Y933-V937 HydrophobicContact CE2-CG2 3.81Å; Y933-V937 HydrophobicContact CG-CG2 4.35Å; Y933-V937 WeakPolarHBondContact O-CA 3.19Å; Y933-V937 WeakPolarHBondContact O-CB 3.39Å; Y933-V937 WeakPolarHBondContact O-CG2 3.42Å; Y933-V937 PolarHBondContact O-N 2.85Å; Y933-L938 HydrophobicContact CD1-CD1 4.26Å; Y933-L938 HydrophobicContact CD1-CG 4.24Å; Y933-L938 HydrophobicContact CE1-CD1 3.93Å; Y933-L938 HydrophobicContact CE1-CD2 4.01Å; Y933-L938 HydrophobicContact CE1-CG 3.78Å; Y933-L938 PolarHBondContact O-N 3.23Å; Y933-F966 HydrophobicContact CD1-CD2 4.39Å; Y933-F966 AromaticContact CD1-CE2 3.87Å; Y933-F966 HydrophobicContact CD1-CE2 3.87Å; Y933-F966 HydrophobicContact CD1-CZ 4.3Å; Y933-F966 HydrophobicContact CE1-CD2 4.34Å; Y933-F966 HydrophobicContact CE1-CE2 4.27Å; Y933-F986 VanDerWaalsContact CE2-O 3.3Å; Y933-F986 WeakPolarHBondContact CE2-O 3.07Å; Y933-F986 PolarHBondContact OH-O 2.91Å; Y933-L988 HydrophobicContact CE2-CD2 4.16Å
934	K	94.1	Very high	92.4	Very high	38 Å²	38	41.4 Å²	41.4	17%	0.165	22%	0.223	C	C	.	.	I	π-helix	trans	-55.5	-55.9	173.2	171.6	-176.6	171	167.8	0	111.3	T930 Q931 L938 E939 F955 E957 F966	T930-K934 PolarHBondContact O-N 3Å; T930-K934 VanDerWaalsContact O-N 3.09Å; Q931-K934 WeakPolarHBondContact O-CB 3.41Å; Q931-K934 PolarHBondContact O-N 2.9Å; K934-L938 PolarHBondContact O-N 3.27Å; K934-L938 VanDerWaalsContact O-N 3.14Å; K934-E939 WeakPolarHBondContact CE-OE1 3.28Å; K934-E939 HydrophobicContact CG-CG 4.42Å; K934-E939 PolarHBondContact O-N 2.89Å; K934-F955 HydrophobicContact CG-CE2 4.22Å; K934-F955 HydrophobicContact CG-CZ 4.19Å; K934-E957 WeakPolarHBondContact CD-OE1 3.38Å; K934-E957 WeakPolarHBondContact CE-OE1 3.49Å; K934-E957 IonicContact NZ-OE1 2.86Å; K934-E957 PolarHBondContact NZ-OE1 2.78Å; K934-E957 IonicContact NZ-OE2 3.18Å; K934-E957 PolarHBondContact NZ-OE2 2.97Å; K934-F966 HydrophobicContact CB-CE1 4.48Å
935	E	93.3	Very high	91.6	Very high	96 Å²	96	44.9 Å²	44.9	45%	0.449	25%	0.247	S	C	.	.	I	π-helix	trans	-67.7	-38.2	-174.6	-67.1	169.6	-177	0	0	113.1	Q931 P940	Q931-E935 WeakPolarHBondContact CG-OE1 3.48Å; Q931-E935 PolarHBondContact NE2-OE1 2.95Å; Q931-E935 WeakPolarHBondContact O-CG 3.39Å; Q931-E935 PolarHBondContact O-N 2.87Å; Q931-E935 VanDerWaalsContact O-N 3.1Å; E935-P940 VanDerWaalsContact O-CD 3.26Å; E935-P940 WeakPolarHBondContact O-CD 3.34Å
936	S	91.1	Very high	90.3	Very high	60 Å²	60	54.7 Å²	54.7	42%	0.42	29%	0.293	S	S	.	.	I	π-helix	trans	-97.6	-9.3	-172.6	71.5	0	0	0	0	114.9	T932	T932-S936 WeakPolarHBondContact O-CB 3.26Å; T932-S936 PolarHBondContact O-N 2.83Å; T932-S936 PolarHBondContact O-OG 3.22Å
937	V	92.6	Very high	89.2	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.036	33%	0.329	C	S	.	.	I	π-helix	trans	-127.7	-59.7	-176.6	-167.1	0	0	0	0	111.7	Y933 M941 K987	Y933-V937 HydrophobicContact CD2-CB 4.03Å; Y933-V937 HydrophobicContact CD2-CG2 3.63Å; Y933-V937 HydrophobicContact CE2-CB 3.89Å; Y933-V937 HydrophobicContact CE2-CG1 3.91Å; Y933-V937 HydrophobicContact CE2-CG2 3.81Å; Y933-V937 HydrophobicContact CG-CG2 4.35Å; Y933-V937 WeakPolarHBondContact O-CA 3.19Å; Y933-V937 WeakPolarHBondContact O-CB 3.39Å; Y933-V937 WeakPolarHBondContact O-CG2 3.42Å; Y933-V937 PolarHBondContact O-N 2.85Å; V937-M941 HydrophobicContact CG1-CE 3.6Å; V937-M941 HydrophobicContact CG1-SD 4.17Å; V937-M941 WeakPolarHBondContact O-CG 3.48Å; V937-M941 PolarHBondContact O-N 2.74Å; V937-K987 HydrophobicContact CG1-CB 4.46Å; V937-K987 HydrophobicContact CG1-CD 4.08Å; V937-K987 HydrophobicContact CG1-CG 4.28Å; V937-K987 HydrophobicContact CG2-CD 3.8Å
938	L	93.7	Very high	88.5	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.339	C	S	.	.	I	π-helix	trans	-74	-45.8	-172.5	-63	-178.1	0	0	0	112.6	Y933 K934 M941 L942 F955 F966 V968 F986	Y933-L938 HydrophobicContact CD1-CD1 4.26Å; Y933-L938 HydrophobicContact CD1-CG 4.24Å; Y933-L938 HydrophobicContact CE1-CD1 3.93Å; Y933-L938 HydrophobicContact CE1-CD2 4.01Å; Y933-L938 HydrophobicContact CE1-CG 3.78Å; Y933-L938 PolarHBondContact O-N 3.23Å; K934-L938 PolarHBondContact O-N 3.27Å; K934-L938 VanDerWaalsContact O-N 3.14Å; L938-M941 WeakPolarHBondContact O-CB 3.29Å; L938-M941 PolarHBondContact O-N 2.61Å; L938-M941 VanDerWaalsContact O-N 3.1Å; L938-L942 PolarHBondContact O-N 3.43Å; L938-F955 HydrophobicContact CB-CD1 4.24Å; L938-F955 HydrophobicContact CB-CE1 4.07Å; L938-F955 HydrophobicContact CB-CE2 4.46Å; L938-F955 HydrophobicContact CB-CZ 4.19Å; L938-F955 HydrophobicContact CD1-CD2 3.94Å; L938-F955 HydrophobicContact CD1-CE2 4.18Å; L938-F955 HydrophobicContact CD1-CG 4.27Å; L938-F966 HydrophobicContact CD1-CB 4.32Å; L938-F966 HydrophobicContact CD1-CD1 3.6Å; L938-F966 HydrophobicContact CD1-CD2 4.37Å; L938-F966 HydrophobicContact CD1-CE1 3.89Å; L938-F966 HydrophobicContact CD1-CG 3.86Å; L938-F966 HydrophobicContact CD1-CZ 4.39Å; L938-V968 HydrophobicContact CD2-CG2 4.23Å; L938-F986 HydrophobicContact CD2-CD1 4.18Å; L938-F986 HydrophobicContact CD2-CE1 4.32Å
939	E	92.9	Very high	87.8	Confident	62 Å²	62	73.3 Å²	73.3	29%	0.29	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-46.5	179	-73.4	175.4	-175.6	0	0	112.5	K934 M941 L942 Y943 F955	K934-E939 WeakPolarHBondContact CE-OE1 3.28Å; K934-E939 HydrophobicContact CG-CG 4.42Å; K934-E939 PolarHBondContact O-N 2.89Å; E939-M941 VanDerWaalsContact C-N 3.25Å; E939-M941 PolarHBondContact O-N 2.82Å; E939-L942 PolarHBondContact O-N 3.48Å; E939-L942 VanDerWaalsContact O-N 3.08Å; E939-Y943 HydrophobicContact CB-CD2 4.31Å; E939-Y943 HydrophobicContact CB-CE2 4.34Å; E939-Y943 HydrophobicContact CG-CE2 4.42Å; E939-Y943 VanDerWaalsContact O-CD2 3.28Å; E939-Y943 WeakPolarHBondContact O-CD2 3.48Å; E939-Y943 PolarHBondContact O-N 2.77Å; E939-F955 HydrophobicContact CG-CZ 4.38Å
940	P	90.9	Very high	87.4	Confident	63 Å²	63	72.6 Å²	72.6	41%	0.409	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-30.1	172.7	-26.4	35.1	0	0	0	114.1	E935 G944	E935-P940 VanDerWaalsContact O-CD 3.26Å; E935-P940 WeakPolarHBondContact O-CD 3.34Å; P940-G944 WeakPolarHBondContact O-CA 3.42Å; P940-G944 PolarHBondContact O-N 3.05Å
941	M	91.1	Very high	87.2	Confident	31 Å²	31	74.3 Å²	74.3	15%	0.153	38%	0.379	C	S	.	.	H	α-helix	trans	-75.5	-25.5	175.5	-73.7	176.6	-172.6	0	0	112.7	V937 L938 E939 P950 L951 I952 V985 F986	V937-M941 HydrophobicContact CG1-CE 3.6Å; V937-M941 HydrophobicContact CG1-SD 4.17Å; V937-M941 WeakPolarHBondContact O-CG 3.48Å; V937-M941 PolarHBondContact O-N 2.74Å; L938-M941 WeakPolarHBondContact O-CB 3.29Å; L938-M941 PolarHBondContact O-N 2.61Å; L938-M941 VanDerWaalsContact O-N 3.1Å; E939-M941 VanDerWaalsContact C-N 3.25Å; E939-M941 PolarHBondContact O-N 2.82Å; M941-P950 CarbonylContact O-C 3.51Å; M941-P950 WeakPolarHBondContact O-CA 3.25Å; M941-L951 HydrophobicContact CB-CB 4.44Å; M941-L951 PolarHBondContact O-N 3.39Å; M941-L951 HydrophobicContact SD-CD2 4.31Å; M941-I952 HydrophobicContact CB-CD1 4.19Å; M941-I952 HydrophobicContact CB-CG1 4.03Å; M941-I952 HydrophobicContact CB-CG2 4.49Å; M941-I952 PolarHBondContact O-N 3.32Å; M941-V985 WeakPolarHBondContact CE-O 3.28Å; M941-F986 HydrophobicContact SD-CD1 3.84Å; M941-F986 HydrophobicContact SD-CE1 3.82Å
942	L	91.2	Very high	87.1	Confident	38 Å²	38	72 Å²	72	20%	0.199	37%	0.367	C	S	.	.	H	α-helix	trans	-82.8	-47.8	178.2	-177.7	65	0	0	0	112.1	L938 E939 P950 I952 T953 F955	L938-L942 PolarHBondContact O-N 3.43Å; E939-L942 PolarHBondContact O-N 3.48Å; E939-L942 VanDerWaalsContact O-N 3.08Å; L942-P950 WeakPolarHBondContact O-CB 3.31Å; L942-I952 HydrophobicContact CB-CD1 4.06Å; L942-I952 HydrophobicContact CB-CG1 3.95Å; L942-I952 HydrophobicContact CD1-CG1 4.11Å; L942-T953 WeakPolarHBondContact CD1-O 3.42Å; L942-F955 HydrophobicContact CB-CE1 4.49Å; L942-F955 HydrophobicContact CD2-CD1 4.16Å; L942-F955 HydrophobicContact CD2-CE1 3.84Å
943	Y	89.1	Confident	86.9	Confident	173 Å²	173	72.3 Å²	72.3	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-88.7	-20.4	-177.3	-60.5	-63.6	0	0	0	113.1	E939	E939-Y943 HydrophobicContact CB-CD2 4.31Å; E939-Y943 HydrophobicContact CB-CE2 4.34Å; E939-Y943 HydrophobicContact CG-CE2 4.42Å; E939-Y943 VanDerWaalsContact O-CD2 3.28Å; E939-Y943 WeakPolarHBondContact O-CD2 3.48Å; E939-Y943 PolarHBondContact O-N 2.77Å
944	G	80.9	Confident	86.8	Confident	17 Å²	17	75.1 Å²	75.1	18%	0.175	39%	0.385	C	S	.	.			trans	73	-174	-169.3	0	0	0	0	0	112.3	P940 K948	P940-G944 WeakPolarHBondContact O-CA 3.42Å; P940-G944 PolarHBondContact O-N 3.05Å; G944-K948 CarbonylContact C-O 3.21Å; G944-K948 VanDerWaalsContact CA-O 3.26Å; G944-K948 WeakPolarHBondContact CA-O 3.48Å
945	S	76.6	Confident	86.8	Confident	73 Å²	73	74.4 Å²	74.4	51%	0.51	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-144	170.8	171.6	61.1	0	0	0	0	108.9	L947 K948	S945-L947 PolarHBondContact O-N 2.9Å; S945-K948 PolarHBondContact N-O 3.01Å; S945-K948 PolarHBondContact O-N 3.29Å; S945-K948 VanDerWaalsContact O-O 3.04Å; S945-K948 PolarHBondContact OG-N 3.34Å
946	E	69.3	Low	86.8	Confident	206 Å²	206	74.4 Å²	74.4	96%	0.963	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-23.6	176.6	-67.2	-174.5	171.1	0	0	113.6
947	L	71.4	Confident	86.8	Confident	166 Å²	166	75.1 Å²	75.1	87%	0.869	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-11.2	-177.6	-64	171	0	0	0	114.7	S945	S945-L947 PolarHBondContact O-N 2.9Å
948	K	76.1	Confident	86.8	Confident	159 Å²	159	77.7 Å²	77.7	69%	0.691	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-141.4	126.1	-174.6	-70	-173	178.2	-177.3	0	111.6	G944 S945	G944-K948 CarbonylContact C-O 3.21Å; G944-K948 VanDerWaalsContact CA-O 3.26Å; G944-K948 WeakPolarHBondContact CA-O 3.48Å; S945-K948 PolarHBondContact N-O 3.01Å; S945-K948 PolarHBondContact O-N 3.29Å; S945-K948 VanDerWaalsContact O-O 3.04Å; S945-K948 PolarHBondContact OG-N 3.34Å
949	Q	80	Confident	86.6	Confident	171 Å²	171	79.6 Å²	79.6	80%	0.799	40%	0.395	S	S	*	.			trans	-69.1	152.5	175.3	-67.5	-156.4	-8.7	0	0	112.2	L951	Q949-L951 PolarHBondContact O-N 3.09Å
950	P	85.6	Confident	86.4	Confident	43 Å²	43	78.2 Å²	78.2	28%	0.279	39%	0.391	S	S	.	.			trans	-57.4	129.1	173.5	-23.9	32.8	0	0	0	112.4	M941 L942 K971	M941-P950 CarbonylContact O-C 3.51Å; M941-P950 WeakPolarHBondContact O-CA 3.25Å; L942-P950 WeakPolarHBondContact O-CB 3.31Å; P950-K971 VanDerWaalsContact O-CE 3.31Å; P950-K971 WeakPolarHBondContact O-CE 3.15Å; P950-K971 PolarHBondContact O-NZ 2.94Å
951	L	89.1	Confident	86.1	Confident	38 Å²	38	79.3 Å²	79.3	20%	0.199	39%	0.393	C	S	.	.			trans	-94.5	-37	180	-176.7	69.9	0	0	0	112.3	M941 Q949 K971 N974 V978 V985	M941-L951 HydrophobicContact CB-CB 4.44Å; M941-L951 PolarHBondContact O-N 3.39Å; M941-L951 HydrophobicContact SD-CD2 4.31Å; Q949-L951 PolarHBondContact O-N 3.09Å; L951-K971 PolarHBondContact O-N 3.23Å; L951-N974 HydrophobicContact CD1-CB 3.78Å; L951-V978 HydrophobicContact CD1-CG2 4.05Å; L951-V978 HydrophobicContact CD2-CG2 4.25Å; L951-V978 HydrophobicContact CG-CG2 4.41Å; L951-V985 HydrophobicContact CD2-CG1 3.5Å
952	I	91.1	Very high	85.8	Confident	2 Å²	2	81.7 Å²	81.7	1%	0.01	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	155.2	-176.8	66	172.9	0	0	0	110.5	M941 L942 F955 V968 K969 F986	M941-I952 HydrophobicContact CB-CD1 4.19Å; M941-I952 HydrophobicContact CB-CG1 4.03Å; M941-I952 HydrophobicContact CB-CG2 4.49Å; M941-I952 PolarHBondContact O-N 3.32Å; L942-I952 HydrophobicContact CB-CD1 4.06Å; L942-I952 HydrophobicContact CB-CG1 3.95Å; L942-I952 HydrophobicContact CD1-CG1 4.11Å; I952-F955 HydrophobicContact CD1-CB 4.42Å; I952-F955 HydrophobicContact CD1-CD1 3.86Å; I952-V968 HydrophobicContact CB-CG1 4.02Å; I952-V968 HydrophobicContact CD1-CG1 4Å; I952-V968 HydrophobicContact CG2-CG1 3.55Å; I952-K969 WeakPolarHBondContact CA-O 3.34Å; I952-K969 WeakPolarHBondContact CB-O 3.49Å; I952-F986 HydrophobicContact CG2-CE1 4Å; I952-F986 HydrophobicContact CG2-CZ 3.96Å
953	T	90.2	Very high	85.7	Confident	75 Å²	75	81.3 Å²	81.3	46%	0.46	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-32.2	177.8	51.9	0	0	0	0	112.6	L942 K969 K971	L942-T953 WeakPolarHBondContact CD1-O 3.42Å; T953-K969 PolarHBondContact N-O 3.43Å; T953-K969 VanDerWaalsContact OG1-CB 3.32Å; T953-K969 WeakPolarHBondContact OG1-CB 3.25Å; T953-K969 PolarHBondContact OG1-O 3.25Å; T953-K971 HydrophobicContact CG2-CB 4.45Å; T953-K971 HydrophobicContact CG2-CG 3.51Å
954	D	92.8	Very high	85.8	Confident	60 Å²	60	73.1 Å²	73.1	32%	0.321	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	155.4	-175.3	-177.6	28.6	0	0	0	109.3	K969	D954-K969 HydrophobicContact CB-CB 4.33Å; D954-K969 HydrophobicContact CB-CD 4.28Å; D954-K969 PolarHBondContact O-N 3.4Å
955	F	93.8	Very high	86.4	Confident	24 Å²	24	73 Å²	73	11%	0.105	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.9	165.8	69.5	-87.9	0	0	0	111	K934 L938 E939 L942 I952 E957 F966 V967 V968	K934-F955 HydrophobicContact CG-CE2 4.22Å; K934-F955 HydrophobicContact CG-CZ 4.19Å; L938-F955 HydrophobicContact CB-CD1 4.24Å; L938-F955 HydrophobicContact CB-CE1 4.07Å; L938-F955 HydrophobicContact CB-CE2 4.46Å; L938-F955 HydrophobicContact CB-CZ 4.19Å; L938-F955 HydrophobicContact CD1-CD2 3.94Å; L938-F955 HydrophobicContact CD1-CE2 4.18Å; L938-F955 HydrophobicContact CD1-CG 4.27Å; E939-F955 HydrophobicContact CG-CZ 4.38Å; L942-F955 HydrophobicContact CB-CE1 4.49Å; L942-F955 HydrophobicContact CD2-CD1 4.16Å; L942-F955 HydrophobicContact CD2-CE1 3.84Å; I952-F955 HydrophobicContact CD1-CB 4.42Å; I952-F955 HydrophobicContact CD1-CD1 3.86Å; F955-E957 HydrophobicContact CD2-CG 4.08Å; F955-E957 HydrophobicContact CE2-CG 3.9Å; F955-E957 VanDerWaalsContact CE2-OE1 3.27Å; F955-E957 WeakPolarHBondContact CE2-OE1 3.49Å; F955-F966 HydrophobicContact CD2-CD1 4.35Å; F955-V967 CarbonylContact C-O 3.34Å; F955-V967 VanDerWaalsContact CA-O 3.25Å; F955-V967 WeakPolarHBondContact CA-O 3.37Å; F955-V968 HydrophobicContact CB-CB 4.43Å; F955-V968 HydrophobicContact CB-CG1 4.44Å; F955-V968 HydrophobicContact CB-CG2 4.04Å
956	K	93	Very high	87.2	Confident	96 Å²	96	69.5 Å²	69.5	42%	0.417	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.9	176.2	-59.9	-174.5	177.7	-173.6	0	110.8	Y958 F966 V967	K956-Y958 HydrophobicContact CB-CD2 4.28Å; K956-Y958 HydrophobicContact CB-CE2 3.64Å; K956-Y958 HydrophobicContact CD-CE2 4.19Å; K956-Y958 WeakPolarHBondContact CD-OH 3.46Å; K956-F966 CarbonylContact O-C 3.1Å; K956-F966 WeakPolarHBondContact O-CA 3.49Å; K956-V967 HydrophobicContact CB-CB 4.31Å; K956-V967 PolarHBondContact N-O 2.88Å; K956-V967 PolarHBondContact O-N 2.8Å
957	E	92.3	Very high	88.4	Confident	74 Å²	74	60.6 Å²	60.6	35%	0.346	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.4	-175.7	-65.4	173.9	-135.1	0	0	109.4	K934 F955 H959 F966	K934-E957 WeakPolarHBondContact CD-OE1 3.38Å; K934-E957 WeakPolarHBondContact CE-OE1 3.49Å; K934-E957 IonicContact NZ-OE1 2.86Å; K934-E957 PolarHBondContact NZ-OE1 2.78Å; K934-E957 IonicContact NZ-OE2 3.18Å; K934-E957 PolarHBondContact NZ-OE2 2.97Å; F955-E957 HydrophobicContact CD2-CG 4.08Å; F955-E957 HydrophobicContact CE2-CG 3.9Å; F955-E957 VanDerWaalsContact CE2-OE1 3.27Å; F955-E957 WeakPolarHBondContact CE2-OE1 3.49Å; E957-H959 IonicContact OE2-CE1 3.86Å; E957-H959 PolarHBondContact OE2-CE1 3.38Å; E957-H959 VanDerWaalsContact OE2-CE1 3.23Å; E957-H959 IonicContact OE2-NE2 3.65Å; E957-F966 HydrophobicContact CG-CD1 3.95Å; E957-F966 HydrophobicContact CG-CE1 3.87Å
958	Y	91.8	Very high	89.5	Confident	60 Å²	60	52.7 Å²	52.7	24%	0.235	27%	0.265	C	S	.	.			trans	-127.4	17.5	176.8	-62.4	-72.7	0	0	0	111.8	K956 R965 V967 Q1209	K956-Y958 HydrophobicContact CB-CD2 4.28Å; K956-Y958 HydrophobicContact CB-CE2 3.64Å; K956-Y958 HydrophobicContact CD-CE2 4.19Å; K956-Y958 WeakPolarHBondContact CD-OH 3.46Å; Y958-R965 CarbonylContact C-O 3.52Å; Y958-R965 PolarHBondContact N-O 3.42Å; Y958-V967 HydrophobicContact CD2-CB 4.43Å; Y958-V967 HydrophobicContact CD2-CG2 3.85Å; Y958-V967 HydrophobicContact CE2-CB 4.2Å; Y958-V967 HydrophobicContact CE2-CG2 3.85Å; Y958-Q1209 VanDerWaalsContact CB-O 3.23Å; Y958-Q1209 WeakPolarHBondContact CB-O 3.4Å; Y958-Q1209 HydrophobicContact CD1-CB 4.03Å; Y958-Q1209 HydrophobicContact CE1-CB 4.23Å
959	H	89.3	Confident	90.3	Very high	40 Å²	40	49.4 Å²	49.4	19%	0.185	25%	0.251	C	S	.	.			trans	-73.8	158	177.1	55.4	-97.7	0	0	0	111.2	T930 E957 T963 R965 F966	T930-H959 HydrophobicContact CG2-CB 4.02Å; E957-H959 IonicContact OE2-CE1 3.86Å; E957-H959 PolarHBondContact OE2-CE1 3.38Å; E957-H959 VanDerWaalsContact OE2-CE1 3.23Å; E957-H959 IonicContact OE2-NE2 3.65Å; H959-T963 CarbonylContact C-O 3.56Å; H959-T963 WeakPolarHBondContact CA-O 3.46Å; H959-T963 WeakPolarHBondContact CB-O 3.48Å; H959-R965 PolarHBondContact N-O 3.16Å; H959-F966 AromaticContact CE1-CE1 3.63Å; H959-F966 AromaticContact CE1-CZ 3.88Å; H959-F966 AromaticContact ND1-CE1 3.48Å; H959-F966 WeakPolarHBondContact ND1-CE1 3.45Å; H959-F966 AromaticContact ND1-CZ 3.64Å
960	T	89.1	Confident	90.9	Very high	34 Å²	34	41.4 Å²	41.4	21%	0.209	21%	0.214	C	C	.	.			trans	-114.2	-176.5	170.6	65.1	0	0	0	0	109.7	T962 T963 I1210	T960-T962 PolarHBondContact O-N 3.21Å; T960-T962 PolarHBondContact OG1-N 3.41Å; T960-T962 PolarHBondContact OG1-OG1 2.97Å; T960-T962 VanDerWaalsContact OG1-OG1 3.05Å; T960-T963 PolarHBondContact N-O 3.26Å; T960-T963 PolarHBondContact OG1-N 2.85Å; T960-T963 PolarHBondContact OG1-OG1 2.9Å; T960-I1210 HydrophobicContact CG2-CD1 4.09Å; T960-I1210 HydrophobicContact CG2-CG1 4.5Å; T960-I1210 HydrophobicContact CG2-CG2 3.81Å
961	D	84.8	Confident	91.1	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	21%	0.209	S	C	.	.	S	Bend	trans	-56.4	-27.2	168.1	61	-25.7	0	0	0	113.9	T790 R791	T790-D961 HydrophobicContact CG2-CB 4.01Å; R791-D961 WeakPolarHBondContact CB-O 3.38Å; R791-D961 PolarHBondContact N-O 3.37Å
962	T	84.4	Confident	90.9	Very high	82 Å²	82	43.7 Å²	43.7	50%	0.503	23%	0.226	S	C	.	.	S	Bend	trans	-109.8	-32.2	-175.9	45.9	0	0	0	0	114	T960	T960-T962 PolarHBondContact O-N 3.21Å; T960-T962 PolarHBondContact OG1-N 3.41Å; T960-T962 PolarHBondContact OG1-OG1 2.97Å; T960-T962 VanDerWaalsContact OG1-OG1 3.05Å
963	T	88.2	Confident	90.7	Very high	29 Å²	29	50.7 Å²	50.7	18%	0.178	26%	0.259	C	S	.	.			trans	-115.9	148.8	-171.4	67.8	0	0	0	0	112.7	H959 T960 I1210	H959-T963 CarbonylContact C-O 3.56Å; H959-T963 WeakPolarHBondContact CA-O 3.46Å; H959-T963 WeakPolarHBondContact CB-O 3.48Å; T960-T963 PolarHBondContact N-O 3.26Å; T960-T963 PolarHBondContact OG1-N 2.85Å; T960-T963 PolarHBondContact OG1-OG1 2.9Å; T963-I1210 WeakPolarHBondContact OG1-CG2 3.44Å
964	V	91.7	Very high	90.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.25	C	C	.	.			trans	-102.5	132	174.4	178.2	0	0	0	0	110	T922 L924 F966	T922-V964 CarbonylContact C-O 3.5Å; T922-V964 VanDerWaalsContact CA-O 3.32Å; T922-V964 WeakPolarHBondContact CA-O 3.01Å; L924-V964 HydrophobicContact CD1-CG1 4.38Å; L924-V964 HydrophobicContact CD1-CG2 4.27Å; L924-V964 HydrophobicContact CD2-CG1 4.38Å; L924-V964 HydrophobicContact CG-CG1 3.91Å; L924-V964 HydrophobicContact CG-CG2 4.11Å; V964-F966 HydrophobicContact CG1-CD2 3.85Å; V964-F966 HydrophobicContact CG1-CE2 3.83Å
965	R	93.2	Very high	90.1	Very high	14 Å²	14	46.9 Å²	46.9	5%	0.053	24%	0.236	C	C	.	.			trans	-152.7	117.1	163.2	-169.7	175.9	-177.3	-175.1	12.4	111.6	E920 I921 Y958 H959 K1208 Q1209 L1211 S1213	E920-R965 IonicContact OE2-CZ 2.83Å; E920-R965 IonicContact OE2-NE 3.12Å; E920-R965 IonicContact OE2-NH2 3.26Å; E920-R965 PolarHBondContact OE2-NH2 2.86Å; I921-R965 CarbonylContact O-C 3.34Å; I921-R965 WeakPolarHBondContact O-CA 3.29Å; Y958-R965 CarbonylContact C-O 3.52Å; Y958-R965 PolarHBondContact N-O 3.42Å; H959-R965 PolarHBondContact N-O 3.16Å; R965-K1208 PolarHBondContact NH1-O 3.05Å; R965-K1208 VanDerWaalsContact NH1-O 3.09Å; R965-Q1209 WeakPolarHBondContact CD-O 3.29Å; R965-Q1209 PolarHBondContact NH1-O 2.95Å; R965-L1211 PolarHBondContact NH1-O 3.08Å; R965-L1211 PolarHBondContact NH2-O 3.2Å; R965-S1213 PolarHBondContact NH2-OG 3.35Å
966	F	94.7	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.5	169.3	-62.4	-82.6	0	0	0	109.8	E920 I921 T930 Y933 K934 L938 F955 K956 E957 H959 V964 V968	E920-F966 CarbonylContact C-O 3.59Å; E920-F966 WeakPolarHBondContact CA-O 3.42Å; I921-F966 HydrophobicContact CB-CB 4.34Å; I921-F966 PolarHBondContact N-O 2.98Å; I921-F966 PolarHBondContact O-N 2.83Å; T930-F966 HydrophobicContact CG2-CE2 3.89Å; T930-F966 HydrophobicContact CG2-CZ 3.57Å; Y933-F966 HydrophobicContact CD1-CD2 4.39Å; Y933-F966 AromaticContact CD1-CE2 3.87Å; Y933-F966 HydrophobicContact CD1-CE2 3.87Å; Y933-F966 HydrophobicContact CD1-CZ 4.3Å; Y933-F966 HydrophobicContact CE1-CD2 4.34Å; Y933-F966 HydrophobicContact CE1-CE2 4.27Å; K934-F966 HydrophobicContact CB-CE1 4.48Å; L938-F966 HydrophobicContact CD1-CB 4.32Å; L938-F966 HydrophobicContact CD1-CD1 3.6Å; L938-F966 HydrophobicContact CD1-CD2 4.37Å; L938-F966 HydrophobicContact CD1-CE1 3.89Å; L938-F966 HydrophobicContact CD1-CG 3.86Å; L938-F966 HydrophobicContact CD1-CZ 4.39Å; F955-F966 HydrophobicContact CD2-CD1 4.35Å; K956-F966 CarbonylContact O-C 3.1Å; K956-F966 WeakPolarHBondContact O-CA 3.49Å; E957-F966 HydrophobicContact CG-CD1 3.95Å; E957-F966 HydrophobicContact CG-CE1 3.87Å; H959-F966 AromaticContact CE1-CE1 3.63Å; H959-F966 AromaticContact CE1-CZ 3.88Å; H959-F966 AromaticContact ND1-CE1 3.48Å; H959-F966 WeakPolarHBondContact ND1-CE1 3.45Å; H959-F966 AromaticContact ND1-CZ 3.64Å; V964-F966 HydrophobicContact CG1-CD2 3.85Å; V964-F966 HydrophobicContact CG1-CE2 3.83Å; F966-V968 HydrophobicContact CB-CG2 4.2Å
967	V	93.9	Very high	89.2	Confident	19 Å²	19	52.5 Å²	52.5	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.1	172.7	172.2	0	0	0	0	108.1	I914 T918 I919 E920 F955 K956 Y958	I914-V967 HydrophobicContact CD1-CG1 3.87Å; T918-V967 HydrophobicContact CG2-CG1 3.5Å; T918-V967 VanDerWaalsContact CG2-CG1 3.5Å; I919-V967 CarbonylContact O-C 3.6Å; E920-V967 HydrophobicContact CB-CG2 4.2Å; F955-V967 CarbonylContact C-O 3.34Å; F955-V967 VanDerWaalsContact CA-O 3.25Å; F955-V967 WeakPolarHBondContact CA-O 3.37Å; K956-V967 HydrophobicContact CB-CB 4.31Å; K956-V967 PolarHBondContact N-O 2.88Å; K956-V967 PolarHBondContact O-N 2.8Å; Y958-V967 HydrophobicContact CD2-CB 4.43Å; Y958-V967 HydrophobicContact CD2-CG2 3.85Å; Y958-V967 HydrophobicContact CE2-CB 4.2Å; Y958-V967 HydrophobicContact CE2-CG2 3.85Å
968	V	94.5	Very high	88.8	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.7	-170.5	-175.7	0	0	0	0	109.7	T918 I919 I921 L938 I952 F955 F966 F986	T918-V968 WeakPolarHBondContact CA-O 3.39Å; T918-V968 WeakPolarHBondContact CG2-O 3.39Å; I919-V968 HydrophobicContact CD1-CB 4.43Å; I919-V968 HydrophobicContact CG1-CB 3.86Å; I919-V968 PolarHBondContact N-O 2.82Å; I919-V968 PolarHBondContact O-N 2.65Å; I921-V968 HydrophobicContact CD1-CG2 4.21Å; L938-V968 HydrophobicContact CD2-CG2 4.23Å; I952-V968 HydrophobicContact CB-CG1 4.02Å; I952-V968 HydrophobicContact CD1-CG1 4Å; I952-V968 HydrophobicContact CG2-CG1 3.55Å; F955-V968 HydrophobicContact CB-CB 4.43Å; F955-V968 HydrophobicContact CB-CG1 4.44Å; F955-V968 HydrophobicContact CB-CG2 4.04Å; F966-V968 HydrophobicContact CB-CG2 4.2Å; V968-F986 HydrophobicContact CG1-CE1 3.98Å; V968-F986 HydrophobicContact CG1-CZ 4.12Å
969	K	93.7	Very high	88.5	Confident	91 Å²	91	48.7 Å²	48.7	40%	0.396	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.3	171.2	-70.9	-177.9	-178.9	169.2	0	109.5	T918 I952 T953 D954	T918-K969 HydrophobicContact CG2-CG 4.2Å; I952-K969 WeakPolarHBondContact CA-O 3.34Å; I952-K969 WeakPolarHBondContact CB-O 3.49Å; T953-K969 PolarHBondContact N-O 3.43Å; T953-K969 VanDerWaalsContact OG1-CB 3.32Å; T953-K969 WeakPolarHBondContact OG1-CB 3.25Å; T953-K969 PolarHBondContact OG1-O 3.25Å; D954-K969 HydrophobicContact CB-CB 4.33Å; D954-K969 HydrophobicContact CB-CD 4.28Å; D954-K969 PolarHBondContact O-N 3.4Å
970	V	92.4	Very high	88.2	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	147.5	178.7	-174.4	0	0	0	0	108.9	N917 I919 N974 M975 V978 F986	N917-V970 PolarHBondContact O-N 3.2Å; I919-V970 HydrophobicContact CG1-CG2 4.48Å; V970-N974 HydrophobicContact CG1-CB 4.38Å; V970-M975 HydrophobicContact CB-SD 3.81Å; V970-M975 HydrophobicContact CG1-SD 4.18Å; V970-M975 HydrophobicContact CG2-SD 4.05Å; V970-V978 HydrophobicContact CG1-CB 4.42Å; V970-V978 HydrophobicContact CG1-CG2 3.94Å; V970-F986 HydrophobicContact CG2-CZ 4.13Å
971	K	88.2	Confident	88	Confident	44 Å²	44	56.1 Å²	56.1	19%	0.191	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.9	134.1	171.7	-72.8	179.4	175.4	179.4	0	110.2	P950 L951 T953 E973 N974 M975	P950-K971 VanDerWaalsContact O-CE 3.31Å; P950-K971 WeakPolarHBondContact O-CE 3.15Å; P950-K971 PolarHBondContact O-NZ 2.94Å; L951-K971 PolarHBondContact O-N 3.23Å; T953-K971 HydrophobicContact CG2-CB 4.45Å; T953-K971 HydrophobicContact CG2-CG 3.51Å; K971-E973 VanDerWaalsContact C-N 3.25Å; K971-E973 HydrophobicContact CB-CG 4.13Å; K971-E973 PolarHBondContact O-N 3.43Å; K971-N974 PolarHBondContact O-N 2.94Å; K971-M975 PolarHBondContact O-N 3.31Å
972	P	86.5	Confident	88.2	Confident	85 Å²	85	52.3 Å²	52.3	55%	0.552	27%	0.273	S	S	*	.	H	α-helix	trans	-53.7	-42.1	-176.1	-23.2	29.9	0	0	0	113.1	N974 M975	P972-N974 PolarHBondContact O-N 2.76Å; P972-M975 PolarHBondContact O-N 3.06Å
973	E	86.4	Confident	88.5	Confident	150 Å²	150	49 Å²	49	70%	0.701	25%	0.251	S	S	*	.	H	α-helix	trans	-61.9	-24.5	179.1	65.3	-152.4	-169.1	0	0	114.5	K971	K971-E973 VanDerWaalsContact C-N 3.25Å; K971-E973 HydrophobicContact CB-CG 4.13Å; K971-E973 PolarHBondContact O-N 3.43Å
974	N	84.5	Confident	88.5	Confident	49 Å²	49	49.3 Å²	49.3	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-101.6	-11.5	-178	-66.3	-37.7	0	0	0	112.8	L951 V970 K971 P972 E976 S977 V978	L951-N974 HydrophobicContact CD1-CB 3.78Å; V970-N974 HydrophobicContact CG1-CB 4.38Å; K971-N974 PolarHBondContact O-N 2.94Å; P972-N974 PolarHBondContact O-N 2.76Å; N974-E976 VanDerWaalsContact C-N 3.33Å; N974-E976 PolarHBondContact O-N 3.41Å; N974-S977 PolarHBondContact O-N 3.23Å; N974-V978 WeakPolarHBondContact O-CB 3.32Å; N974-V978 VanDerWaalsContact O-CG2 3.28Å; N974-V978 WeakPolarHBondContact O-CG2 3.35Å; N974-V978 PolarHBondContact O-N 2.98Å
975	M	86.5	Confident	88.3	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-40.3	-168.8	-173.4	60.7	176.4	0	0	112.7	R913 P916 I919 V970 K971 P972 V978 L979	R913-M975 HydrophobicContact CG-CE 4.19Å; P916-M975 VanDerWaalsContact O-CE 3.29Å; P916-M975 WeakPolarHBondContact O-CE 3.18Å; P916-M975 WeakPolarHBondContact O-CG 3.49Å; I919-M975 HydrophobicContact CG2-CE 3.86Å; V970-M975 HydrophobicContact CB-SD 3.81Å; V970-M975 HydrophobicContact CG1-SD 4.18Å; V970-M975 HydrophobicContact CG2-SD 4.05Å; K971-M975 PolarHBondContact O-N 3.31Å; P972-M975 PolarHBondContact O-N 3.06Å; M975-V978 PolarHBondContact O-N 3.23Å; M975-L979 HydrophobicContact CE-CD1 4.15Å; M975-L979 HydrophobicContact CE-CD2 3.99Å; M975-L979 HydrophobicContact CE-CG 4.1Å; M975-L979 HydrophobicContact CG-CD1 4.28Å; M975-L979 VanDerWaalsContact O-CG 3.31Å; M975-L979 WeakPolarHBondContact O-CG 3.37Å; M975-L979 PolarHBondContact O-N 3.33Å; M975-L979 HydrophobicContact SD-CG 4.46Å
976	E	83.1	Confident	88.3	Confident	158 Å²	158	50.7 Å²	50.7	74%	0.738	27%	0.267	S	S	*	.	H	α-helix	trans	-68.3	-40.9	-179	-163.6	155.9	-152.2	0	0	112.2	N974 L979 Q980	N974-E976 VanDerWaalsContact C-N 3.33Å; N974-E976 PolarHBondContact O-N 3.41Å; E976-L979 PolarHBondContact O-N 3.09Å; E976-Q980 PolarHBondContact O-N 2.98Å
977	S	83	Confident	88.2	Confident	80 Å²	80	56 Å²	56	56%	0.559	29%	0.291	S	S	*	.	H	α-helix	trans	-63	-41.2	172.3	177	0	0	0	0	111.8	N974 Q980	N974-S977 PolarHBondContact O-N 3.23Å; S977-Q980 PolarHBondContact O-N 2.78Å
978	V	85.5	Confident	88.2	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-45.3	177.6	166.3	0	0	0	0	111.4	L951 V970 N974 M975 Q980 N981 V982 V985 F986	L951-V978 HydrophobicContact CD1-CG2 4.05Å; L951-V978 HydrophobicContact CD2-CG2 4.25Å; L951-V978 HydrophobicContact CG-CG2 4.41Å; V970-V978 HydrophobicContact CG1-CB 4.42Å; V970-V978 HydrophobicContact CG1-CG2 3.94Å; N974-V978 WeakPolarHBondContact O-CB 3.32Å; N974-V978 VanDerWaalsContact O-CG2 3.28Å; N974-V978 WeakPolarHBondContact O-CG2 3.35Å; N974-V978 PolarHBondContact O-N 2.98Å; M975-V978 PolarHBondContact O-N 3.23Å; V978-Q980 PolarHBondContact O-N 2.98Å; V978-N981 CarbonylContact O-C 3.53Å; V978-N981 PolarHBondContact O-N 3.39Å; V978-N981 VanDerWaalsContact O-N 3.16Å; V978-V982 HydrophobicContact CG1-CG2 3.61Å; V978-V982 VanDerWaalsContact O-CA 3.3Å; V978-V982 WeakPolarHBondContact O-CA 3.32Å; V978-V982 WeakPolarHBondContact O-CG2 3.39Å; V978-V982 PolarHBondContact O-N 3.28Å; V978-V985 HydrophobicContact CG2-CG1 4.26Å; V978-F986 HydrophobicContact CG1-CD2 4.39Å; V978-F986 HydrophobicContact CG1-CE2 3.64Å
979	L	84.9	Confident	88	Confident	52 Å²	52	56.6 Å²	56.6	27%	0.272	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-26.2	-178.6	-73.6	173.9	0	0	0	113.5	M975 E976 N981 L1219	M975-L979 HydrophobicContact CE-CD1 4.15Å; M975-L979 HydrophobicContact CE-CD2 3.99Å; M975-L979 HydrophobicContact CE-CG 4.1Å; M975-L979 HydrophobicContact CG-CD1 4.28Å; M975-L979 VanDerWaalsContact O-CG 3.31Å; M975-L979 WeakPolarHBondContact O-CG 3.37Å; M975-L979 PolarHBondContact O-N 3.33Å; M975-L979 HydrophobicContact SD-CG 4.46Å; E976-L979 PolarHBondContact O-N 3.09Å; L979-N981 VanDerWaalsContact C-N 3.29Å; L979-N981 PolarHBondContact O-N 2.96Å; L979-L1219 HydrophobicContact CD2-CD1 3.72Å; L979-L1219 HydrophobicContact CD2-CD2 4.07Å
980	Q	83.3	Confident	87.9	Confident	165 Å²	165	53.6 Å²	53.6	77%	0.771	28%	0.283	S	S	*	.	H	α-helix	trans	-66.6	-29.1	176.5	-70.4	178.7	-0.6	0	0	113.1	E976 S977 V978	E976-Q980 PolarHBondContact O-N 2.98Å; S977-Q980 PolarHBondContact O-N 2.78Å; V978-Q980 PolarHBondContact O-N 2.98Å
981	N	84.3	Confident	87.8	Confident	66 Å²	66	56.8 Å²	56.8	35%	0.353	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.5	50.5	-176.5	-158.7	-9.2	0	0	0	112.7	V978 L979 H983 A984 V985	V978-N981 CarbonylContact O-C 3.53Å; V978-N981 PolarHBondContact O-N 3.39Å; V978-N981 VanDerWaalsContact O-N 3.16Å; L979-N981 VanDerWaalsContact C-N 3.29Å; L979-N981 PolarHBondContact O-N 2.96Å; N981-H983 VanDerWaalsContact C-N 3.26Å; N981-H983 PolarHBondContact O-N 2.91Å; N981-A984 HydrophobicContact CB-CB 4.44Å; N981-A984 VanDerWaalsContact CG-CB 3.41Å; N981-A984 PolarHBondContact O-N 2.94Å; N981-A984 VanDerWaalsContact O-N 3.09Å; N981-A984 WeakPolarHBondContact OD1-CB 3.35Å; N981-A984 PolarHBondContact OD1-N 2.86Å; N981-V985 WeakPolarHBondContact O-CG2 3.22Å; N981-V985 PolarHBondContact O-N 3.33Å
982	V	89.5	Confident	88	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-54.3	-41.8	-173.3	126.4	0	0	0	0	112	V911 V978 A984 V985 F986 L1219	V911-V982 HydrophobicContact CB-CG1 4.16Å; V911-V982 HydrophobicContact CG1-CG1 3.28Å; V911-V982 HydrophobicContact CG2-CG1 3.88Å; V978-V982 HydrophobicContact CG1-CG2 3.61Å; V978-V982 VanDerWaalsContact O-CA 3.3Å; V978-V982 WeakPolarHBondContact O-CA 3.32Å; V978-V982 WeakPolarHBondContact O-CG2 3.39Å; V978-V982 PolarHBondContact O-N 3.28Å; V982-A984 PolarHBondContact O-N 3.11Å; V982-V985 PolarHBondContact O-N 3.42Å; V982-F986 HydrophobicContact CG2-CD2 4.4Å; V982-F986 PolarHBondContact O-N 3.04Å; V982-L1219 HydrophobicContact CB-CD1 4.32Å; V982-L1219 HydrophobicContact CG1-CD1 4.14Å; V982-L1219 HydrophobicContact CG2-CD1 3.99Å
983	H	90.7	Very high	88.1	Confident	11 Å²	11	52.4 Å²	52.4	5%	0.051	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-36.2	-178.8	-69.1	78.6	0	0	0	112.9	F908 G909 N981 K987 L988 Q989 L1219	F908-H983 HydrophobicContact CD1-CB 4.34Å; F908-H983 AromaticContact CD1-CD2 3.72Å; G909-H983 PolarHBondContact O-CD2 3.49Å; G909-H983 PolarHBondContact O-NE2 3.33Å; N981-H983 VanDerWaalsContact C-N 3.26Å; N981-H983 PolarHBondContact O-N 2.91Å; H983-K987 CarbonylContact O-C 3.53Å; H983-K987 WeakPolarHBondContact O-CA 3.3Å; H983-K987 PolarHBondContact O-N 2.92Å; H983-L988 HydrophobicContact CB-CB 4.45Å; H983-L988 PolarHBondContact CD2-O 3.18Å; H983-L988 PolarHBondContact O-N 3.41Å; H983-Q989 HydrophobicContact CB-CB 4.42Å; H983-L1219 PolarHBondContact CE1-O 3.22Å
984	A	87.6	Confident	88.3	Confident	37 Å²	37	45.5 Å²	45.5	31%	0.306	25%	0.248	S	C	.	.	H	α-helix	trans	-73.4	-44.2	174.6	0	0	0	0	0	111.7	N981 V982 K987 Q989	N981-A984 HydrophobicContact CB-CB 4.44Å; N981-A984 VanDerWaalsContact CG-CB 3.41Å; N981-A984 PolarHBondContact O-N 2.94Å; N981-A984 VanDerWaalsContact O-N 3.09Å; N981-A984 WeakPolarHBondContact OD1-CB 3.35Å; N981-A984 PolarHBondContact OD1-N 2.86Å; V982-A984 PolarHBondContact O-N 3.11Å; A984-K987 PolarHBondContact O-N 2.96Å; A984-Q989 VanDerWaalsContact CB-NE2 3.32Å
985	V	88.4	Confident	88.4	Confident	44 Å²	44	45 Å²	45	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-51.2	-177.4	172.2	0	0	0	0	110.5	M941 L951 V978 N981 V982 K987	M941-V985 WeakPolarHBondContact CE-O 3.28Å; L951-V985 HydrophobicContact CD2-CG1 3.5Å; V978-V985 HydrophobicContact CG2-CG1 4.26Å; N981-V985 WeakPolarHBondContact O-CG2 3.22Å; N981-V985 PolarHBondContact O-N 3.33Å; V982-V985 PolarHBondContact O-N 3.42Å; V985-K987 VanDerWaalsContact C-N 3.29Å; V985-K987 PolarHBondContact O-N 3.24Å
986	F	92.2	Very high	88.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	10.9	-179.9	-74.2	-78.2	0	0	0	113.8	I919 I921 Y933 L938 M941 I952 V968 V970 V978 V982 L988	I919-F986 HydrophobicContact CD1-CD2 3.7Å; I919-F986 HydrophobicContact CD1-CE1 4.33Å; I919-F986 HydrophobicContact CD1-CE2 3.27Å; I919-F986 HydrophobicContact CD1-CG 4.37Å; I919-F986 HydrophobicContact CD1-CZ 3.64Å; I921-F986 HydrophobicContact CD1-CB 4.42Å; I921-F986 HydrophobicContact CD1-CD1 4.26Å; I921-F986 HydrophobicContact CD1-CG 4.38Å; Y933-F986 VanDerWaalsContact CE2-O 3.3Å; Y933-F986 WeakPolarHBondContact CE2-O 3.07Å; Y933-F986 PolarHBondContact OH-O 2.91Å; L938-F986 HydrophobicContact CD2-CD1 4.18Å; L938-F986 HydrophobicContact CD2-CE1 4.32Å; M941-F986 HydrophobicContact SD-CD1 3.84Å; M941-F986 HydrophobicContact SD-CE1 3.82Å; I952-F986 HydrophobicContact CG2-CE1 4Å; I952-F986 HydrophobicContact CG2-CZ 3.96Å; V968-F986 HydrophobicContact CG1-CE1 3.98Å; V968-F986 HydrophobicContact CG1-CZ 4.12Å; V970-F986 HydrophobicContact CG2-CZ 4.13Å; V978-F986 HydrophobicContact CG1-CD2 4.39Å; V978-F986 HydrophobicContact CG1-CE2 3.64Å; V982-F986 HydrophobicContact CG2-CD2 4.4Å; V982-F986 PolarHBondContact O-N 3.04Å; F986-L988 HydrophobicContact CB-CD1 4.03Å; F986-L988 HydrophobicContact CB-CG 3.85Å; F986-L988 PolarHBondContact O-N 3.4Å; F986-L988 VanDerWaalsContact O-N 3.14Å
987	K	92.5	Very high	88.9	Confident	112 Å²	112	38.7 Å²	38.7	49%	0.487	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.1	-178.4	-54.1	-179.6	-175	169.4	0	113.3	V937 H983 A984 V985 Q989	V937-K987 HydrophobicContact CG1-CB 4.46Å; V937-K987 HydrophobicContact CG1-CD 4.08Å; V937-K987 HydrophobicContact CG1-CG 4.28Å; V937-K987 HydrophobicContact CG2-CD 3.8Å; H983-K987 CarbonylContact O-C 3.53Å; H983-K987 WeakPolarHBondContact O-CA 3.3Å; H983-K987 PolarHBondContact O-N 2.92Å; A984-K987 PolarHBondContact O-N 2.96Å; V985-K987 VanDerWaalsContact C-N 3.29Å; V985-K987 PolarHBondContact O-N 3.24Å; K987-Q989 PolarHBondContact O-N 3.41Å
988	L	93.4	Very high	89.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.			trans	-86.5	25.2	176.4	-56.1	175.6	0	0	0	112.4	F908 G909 V911 I921 L924 P925 Y933 H983 F986	F908-L988 WeakPolarHBondContact CA-O 3.12Å; G909-L988 PolarHBondContact N-O 3.01Å; V911-L988 HydrophobicContact CB-CD1 3.82Å; V911-L988 HydrophobicContact CG1-CD1 3.99Å; V911-L988 HydrophobicContact CG2-CD1 4.31Å; I921-L988 HydrophobicContact CD1-CD1 4.11Å; I921-L988 HydrophobicContact CD1-CD2 4.33Å; I921-L988 HydrophobicContact CG1-CD1 4.03Å; I921-L988 HydrophobicContact CG2-CD1 4.06Å; I921-L988 HydrophobicContact CG2-CD2 3.67Å; L924-L988 HydrophobicContact CD2-CD2 3.7Å; P925-L988 WeakPolarHBondContact CG-O 3.49Å; Y933-L988 HydrophobicContact CE2-CD2 4.16Å; H983-L988 HydrophobicContact CB-CB 4.45Å; H983-L988 PolarHBondContact CD2-O 3.18Å; H983-L988 PolarHBondContact O-N 3.41Å; F986-L988 HydrophobicContact CB-CD1 4.03Å; F986-L988 HydrophobicContact CB-CG 3.85Å; F986-L988 PolarHBondContact O-N 3.4Å; F986-L988 VanDerWaalsContact O-N 3.14Å
989	Q	91.6	Very high	90	Very high	30 Å²	30	35 Å²	35	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.3	173.4	61.4	-175.4	-7.6	0	0	110.4	V906 C907 F908 H983 A984 K987 F1227	V906-Q989 HydrophobicContact CG1-CB 4.22Å; C907-Q989 WeakPolarHBondContact O-CA 3.36Å; F908-Q989 HydrophobicContact CD1-CB 3.74Å; F908-Q989 HydrophobicContact CE1-CB 3.81Å; H983-Q989 HydrophobicContact CB-CB 4.42Å; A984-Q989 VanDerWaalsContact CB-NE2 3.32Å; K987-Q989 PolarHBondContact O-N 3.41Å; Q989-F1227 VanDerWaalsContact CD-CE2 3.47Å; Q989-F1227 HydrophobicContact CG-CE2 3.99Å; Q989-F1227 HydrophobicContact CG-CZ 4.49Å
990	S	91.7	Very high	90.4	Very high	29 Å²	29	33.2 Å²	33.2	20%	0.203	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.3	172.7	74.5	0	0	0	0	110.6	V906 C907 P925	V906-S990 CarbonylContact C-O 3.47Å; V906-S990 WeakPolarHBondContact CA-O 3.43Å; C907-S990 PolarHBondContact N-O 2.92Å; C907-S990 PolarHBondContact O-N 3.11Å; P925-S990 WeakPolarHBondContact CB-OG 3.32Å
991	S	90.6	Very high	90.9	Very high	68 Å²	68	25.5 Å²	25.5	48%	0.476	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.5	176.4	63.3	0	0	0	0	111.5	F905	F905-S991 WeakPolarHBondContact O-CA 3.42Å
992	I	91.6	Very high	91.2	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.062	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.9	169.1	-56.7	173.2	0	0	0	107.2	P863 P888 Y890 I897 R904 F905 C907	P863-I992 HydrophobicContact CB-CG2 4.02Å; P863-I992 HydrophobicContact CG-CG2 4.4Å; P888-I992 HydrophobicContact CG-CG2 4.5Å; Y890-I992 HydrophobicContact CE2-CD1 4.16Å; I897-I992 HydrophobicContact CD1-CD1 4.44Å; R904-I992 WeakPolarHBondContact CA-O 3.03Å; F905-I992 HydrophobicContact CB-CB 4.28Å; F905-I992 PolarHBondContact N-O 3.41Å; F905-I992 PolarHBondContact O-N 3.32Å; C907-I992 HydrophobicContact CB-CD1 3.97Å; C907-I992 HydrophobicContact CB-CG1 4.34Å
993	S	89.5	Confident	91	Very high	25 Å²	25	27.8 Å²	27.8	18%	0.175	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.8	175.4	-174.6	0	0	0	0	110.3	E903 S995	E903-S993 WeakPolarHBondContact O-CA 3.3Å; E903-S993 PolarHBondContact O-OG 2.94Å; S993-S995 WeakPolarHBondContact OG-CB 3.43Å; S993-S995 PolarHBondContact OG-N 2.87Å; S993-S995 PolarHBondContact OG-OG 2.79Å
994	I	90.5	Very high	90.9	Very high	5 Å²	5	29 Å²	29	3%	0.026	18%	0.178	C	C	.	.			trans	-100.3	14.1	172.6	61.9	164.9	0	0	0	112	P863 E903 F905 S996 M997	P863-I994 HydrophobicContact CG-CG2 3.73Å; E903-I994 HydrophobicContact CB-CG1 4.11Å; E903-I994 WeakPolarHBondContact O-CG1 3.26Å; E903-I994 PolarHBondContact O-N 2.98Å; F905-I994 HydrophobicContact CD2-CG2 4.38Å; F905-I994 HydrophobicContact CE2-CD1 4.05Å; F905-I994 HydrophobicContact CE2-CG1 4.25Å; F905-I994 HydrophobicContact CE2-CG2 4.01Å; I994-S996 PolarHBondContact O-N 2.6Å; I994-M997 HydrophobicContact CB-CE 3.86Å; I994-M997 HydrophobicContact CB-CG 4.28Å; I994-M997 HydrophobicContact CB-SD 3.91Å; I994-M997 HydrophobicContact CD1-CE 4.13Å; I994-M997 HydrophobicContact CG1-CE 4.4Å; I994-M997 HydrophobicContact CG2-SD 4.25Å; I994-M997 WeakPolarHBondContact O-CG 3.41Å
995	S	85.4	Confident	91	Very high	40 Å²	40	27.9 Å²	27.9	28%	0.28	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12	-175.5	64.9	0	0	0	0	114.2	E903 S993 R1008	E903-S995 WeakPolarHBondContact OE2-CB 3.49Å; S993-S995 WeakPolarHBondContact OG-CB 3.43Å; S993-S995 PolarHBondContact OG-N 2.87Å; S993-S995 PolarHBondContact OG-OG 2.79Å; S995-R1008 VanDerWaalsContact O-CZ 3.29Å; S995-R1008 PolarHBondContact O-NE 2.98Å; S995-R1008 PolarHBondContact O-NH2 3.29Å
996	S	87.4	Confident	91.1	Very high	29 Å²	29	26.6 Å²	26.6	20%	0.203	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	40.6	-177.5	58.9	0	0	0	0	112	T860 K861 I994 V998	T860-S996 CarbonylContact C-O 3.58Å; T860-S996 VanDerWaalsContact CA-O 3.26Å; T860-S996 WeakPolarHBondContact CA-O 3.2Å; K861-S996 WeakPolarHBondContact CB-OG 3.17Å; K861-S996 PolarHBondContact N-O 2.99Å; I994-S996 PolarHBondContact O-N 2.6Å; S996-V998 PolarHBondContact O-N 3.44Å; S996-V998 VanDerWaalsContact O-N 3.12Å
997	M	93.6	Very high	91	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	93	171.3	-64.8	-172.4	-60.3	0	0	109.1	V862 I994 R1008 F1009 N1011 I1015	V862-M997 HydrophobicContact CG1-SD 4.47Å; V862-M997 HydrophobicContact CG2-CB 4.19Å; V862-M997 HydrophobicContact CG2-CG 4.02Å; I994-M997 HydrophobicContact CB-CE 3.86Å; I994-M997 HydrophobicContact CB-CG 4.28Å; I994-M997 HydrophobicContact CB-SD 3.91Å; I994-M997 HydrophobicContact CD1-CE 4.13Å; I994-M997 HydrophobicContact CG1-CE 4.4Å; I994-M997 HydrophobicContact CG2-SD 4.25Å; I994-M997 WeakPolarHBondContact O-CG 3.41Å; M997-R1008 WeakPolarHBondContact O-CA 3.49Å; M997-F1009 HydrophobicContact CB-CB 4.25Å; M997-F1009 PolarHBondContact O-N 2.98Å; M997-N1011 VanDerWaalsContact CE-C 3.44Å; M997-N1011 VanDerWaalsContact CE-CA 3.48Å; M997-I1015 HydrophobicContact CB-CD1 4.33Å; M997-I1015 HydrophobicContact SD-CD1 4.1Å
998	V	94.4	Very high	90.9	Very high	5 Å²	5	31 Å²	31	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.5	-179.3	-178.1	0	0	0	0	108.2	I713 W858 T860 S996 L1006 R1007 R1008	I713-V998 HydrophobicContact CD1-CG1 4.48Å; I713-V998 WeakPolarHBondContact CG2-O 2.98Å; W858-V998 HydrophobicContact CD2-CG1 4.33Å; W858-V998 HydrophobicContact CE3-CB 4.42Å; W858-V998 HydrophobicContact CE3-CG1 3.69Å; W858-V998 HydrophobicContact CE3-CG2 3.93Å; W858-V998 HydrophobicContact CZ3-CG1 4.13Å; W858-V998 HydrophobicContact CZ3-CG2 4.14Å; T860-V998 WeakPolarHBondContact CB-O 3.43Å; T860-V998 PolarHBondContact OG1-N 3.42Å; T860-V998 PolarHBondContact OG1-O 3.04Å; S996-V998 PolarHBondContact O-N 3.44Å; S996-V998 VanDerWaalsContact O-N 3.12Å; V998-L1006 HydrophobicContact CG1-CB 4.5Å; V998-L1006 HydrophobicContact CG1-CD2 4.02Å; V998-R1007 CarbonylContact C-O 3.15Å; V998-R1007 VanDerWaalsContact CA-O 3.27Å; V998-R1007 WeakPolarHBondContact CA-O 3.43Å; V998-R1008 HydrophobicContact CG2-CB 4.29Å; V998-R1008 HydrophobicContact CG2-CG 4.28Å
999	L	96.2	Very high	90.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.6	-176.6	-59.1	170.6	0	0	0	109.4	P714 L716 V846 V862 R1007 F1009 I1015	P714-L999 HydrophobicContact CG-CD2 3.69Å; L716-L999 HydrophobicContact CB-CB 4.24Å; L716-L999 HydrophobicContact CD1-CD1 3.81Å; V846-L999 HydrophobicContact CG1-CD1 4.07Å; V846-L999 HydrophobicContact CG2-CD1 4.04Å; V846-L999 HydrophobicContact CG2-CD2 3.69Å; V862-L999 HydrophobicContact CG2-CD2 4.23Å; L999-R1007 PolarHBondContact N-O 3.37Å; L999-R1007 PolarHBondContact O-N 2.92Å; L999-F1009 HydrophobicContact CB-CD2 4.42Å; L999-F1009 HydrophobicContact CB-CE2 3.95Å; L999-F1009 HydrophobicContact CD1-CD2 4.36Å; L999-F1009 HydrophobicContact CD1-CE2 4.37Å; L999-F1009 HydrophobicContact CG-CD2 4.49Å; L999-F1009 HydrophobicContact CG-CE2 4.46Å; L999-I1015 HydrophobicContact CD1-CD1 3.83Å; L999-I1015 HydrophobicContact CD1-CG1 4.09Å; L999-I1015 HydrophobicContact CD1-CG2 4.41Å
1000	F	94.5	Very high	90.8	Very high	14 Å²	14	34.3 Å²	34.3	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.3	165.7	-74	-81.2	0	0	0	109.5	M667 N709 E710 I713 P714 L716 G1004 C1005 L1006	M667-F1000 HydrophobicContact CE-CE1 3.81Å; M667-F1000 HydrophobicContact CE-CZ 4.21Å; M667-F1000 HydrophobicContact SD-CE1 4.14Å; N709-F1000 HydrophobicContact CB-CZ 4Å; N709-F1000 WeakPolarHBondContact O-CE2 3.48Å; E710-F1000 HydrophobicContact CB-CE2 4.48Å; E710-F1000 HydrophobicContact CB-CZ 4.36Å; E710-F1000 HydrophobicContact CG-CE1 4.26Å; E710-F1000 HydrophobicContact CG-CE2 4.26Å; E710-F1000 HydrophobicContact CG-CZ 3.75Å; I713-F1000 HydrophobicContact CB-CD2 4.18Å; I713-F1000 HydrophobicContact CB-CE2 3.87Å; I713-F1000 HydrophobicContact CG2-CD2 4.05Å; I713-F1000 HydrophobicContact CG2-CE2 4.19Å; I713-F1000 WeakPolarHBondContact O-CD2 3.38Å; P714-F1000 PolarHBondContact O-N 3.27Å; P714-F1000 VanDerWaalsContact O-N 3.16Å; L716-F1000 WeakPolarHBondContact CB-O 3.07Å; L716-F1000 PolarHBondContact N-O 3.4Å; F1000-G1004 WeakPolarHBondContact CD1-O 3.28Å; F1000-C1005 WeakPolarHBondContact CA-O 3.25Å; F1000-L1006 HydrophobicContact CD1-CD2 3.84Å; F1000-L1006 HydrophobicContact CD1-CG 3.96Å; F1000-L1006 HydrophobicContact CD2-CD2 3.83Å; F1000-L1006 HydrophobicContact CE1-CD1 4.43Å; F1000-L1006 HydrophobicContact CE1-CD2 3.72Å; F1000-L1006 HydrophobicContact CE1-CG 3.6Å; F1000-L1006 HydrophobicContact CE2-CD2 3.68Å; F1000-L1006 HydrophobicContact CE2-CG 4.41Å; F1000-L1006 HydrophobicContact CG-CD2 3.92Å; F1000-L1006 HydrophobicContact CZ-CD1 4.36Å; F1000-L1006 HydrophobicContact CZ-CD2 3.63Å; F1000-L1006 HydrophobicContact CZ-CG 3.85Å
1001	D	92.6	Very high	90.8	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	19%	0.19	C	C	.	.			trans	-67.9	175.6	169.4	68.1	18.4	0	0	0	111.4	E1003 G1004 C1005 R1007	D1001-E1003 PolarHBondContact O-N 2.75Å; D1001-E1003 WeakPolarHBondContact OD1-CA 3.27Å; D1001-E1003 PolarHBondContact OD1-N 3.05Å; D1001-G1004 PolarHBondContact O-N 2.78Å; D1001-G1004 PolarHBondContact OD1-N 3.32Å; D1001-G1004 VanDerWaalsContact OD1-N 3.1Å; D1001-C1005 PolarHBondContact N-O 3.4Å; D1001-C1005 PolarHBondContact OD1-N 2.88Å; D1001-R1007 HydrophobicContact CB-CG 4.4Å; D1001-R1007 IonicContact OD2-CZ 3.11Å; D1001-R1007 IonicContact OD2-NE 3.16Å; D1001-R1007 PolarHBondContact OD2-NE 3.47Å; D1001-R1007 IonicContact OD2-NH2 2.83Å; D1001-R1007 PolarHBondContact OD2-NH2 3.21Å
1002	A	90.4	Very high	90.9	Very high	17 Å²	17	32 Å²	32	14%	0.14	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.6	-178.3	0	0	0	0	0	113.7	V717 W838 V1022	V717-A1002 HydrophobicContact CG2-CB 3.99Å; W838-A1002 HydrophobicContact CZ2-CB 4.33Å; W838-A1002 PolarHBondContact NE1-O 3.12Å; A1002-V1022 HydrophobicContact CB-CG1 4.49Å; A1002-V1022 HydrophobicContact CB-CG2 3.88Å
1003	E	86.8	Confident	91.1	Very high	102 Å²	102	32.7 Å²	32.7	48%	0.477	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	12.2	178.6	-54.5	92.4	-149.6	0	0	113.5	K671 D1001 R1007	K671-E1003 HydrophobicContact CD-CB 3.91Å; K671-E1003 VanDerWaalsContact CE-CB 3.45Å; K671-E1003 VanDerWaalsContact NZ-CB 3.3Å; K671-E1003 IonicContact NZ-OE2 3.67Å; K671-E1003 PolarHBondContact NZ-OE2 3.49Å; D1001-E1003 PolarHBondContact O-N 2.75Å; D1001-E1003 WeakPolarHBondContact OD1-CA 3.27Å; D1001-E1003 PolarHBondContact OD1-N 3.05Å; E1003-R1007 IonicContact OE2-NH2 3.67Å
1004	G	87.6	Confident	91.3	Very high	38 Å²	38	34.2 Å²	34.2	39%	0.392	18%	0.177	S	C	.	.	S	Bend	trans	78.5	20.5	174.5	0	0	0	0	0	114.9	F1000 D1001	F1000-G1004 WeakPolarHBondContact CD1-O 3.28Å; D1001-G1004 PolarHBondContact O-N 2.78Å; D1001-G1004 PolarHBondContact OD1-N 3.32Å; D1001-G1004 VanDerWaalsContact OD1-N 3.1Å
1005	C	90.3	Very high	91.6	Very high	13 Å²	13	34 Å²	34	9%	0.088	18%	0.176	C	C	.	.			trans	-100.1	135.2	172.5	-66.9	0	0	0	0	111	F1000 D1001 R1007	F1000-C1005 WeakPolarHBondContact CA-O 3.25Å; D1001-C1005 PolarHBondContact N-O 3.4Å; D1001-C1005 PolarHBondContact OD1-N 2.88Å; C1005-R1007 PolarHBondContact O-N 2.84Å
1006	L	90.9	Very high	92.1	Very high	16 Å²	16	32 Å²	32	8%	0.084	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.7	173.7	-74.9	172.9	0	0	0	110.8	M667 N709 I713 W858 V998 F1000	M667-L1006 HydrophobicContact CE-CD1 3.62Å; M667-L1006 HydrophobicContact CE-CG 3.88Å; M667-L1006 HydrophobicContact SD-CB 4.09Å; M667-L1006 HydrophobicContact SD-CD1 4.09Å; M667-L1006 HydrophobicContact SD-CG 3.88Å; N709-L1006 HydrophobicContact CB-CD1 4.21Å; I713-L1006 HydrophobicContact CB-CD2 4.31Å; I713-L1006 HydrophobicContact CD1-CD1 4.3Å; I713-L1006 HydrophobicContact CD1-CD2 3.76Å; I713-L1006 HydrophobicContact CG2-CD2 3.84Å; W858-L1006 HydrophobicContact CB-CD1 4.4Å; W858-L1006 HydrophobicContact CD2-CD1 4.19Å; W858-L1006 HydrophobicContact CG-CD1 3.81Å; V998-L1006 HydrophobicContact CG1-CB 4.5Å; V998-L1006 HydrophobicContact CG1-CD2 4.02Å; F1000-L1006 HydrophobicContact CD1-CD2 3.84Å; F1000-L1006 HydrophobicContact CD1-CG 3.96Å; F1000-L1006 HydrophobicContact CD2-CD2 3.83Å; F1000-L1006 HydrophobicContact CE1-CD1 4.43Å; F1000-L1006 HydrophobicContact CE1-CD2 3.72Å; F1000-L1006 HydrophobicContact CE1-CG 3.6Å; F1000-L1006 HydrophobicContact CE2-CD2 3.68Å; F1000-L1006 HydrophobicContact CE2-CG 4.41Å; F1000-L1006 HydrophobicContact CG-CD2 3.92Å; F1000-L1006 HydrophobicContact CZ-CD1 4.36Å; F1000-L1006 HydrophobicContact CZ-CD2 3.63Å; F1000-L1006 HydrophobicContact CZ-CG 3.85Å
1007	R	89.8	Confident	92.5	Very high	96 Å²	96	34.1 Å²	34.1	36%	0.362	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.6	171.6	-64.8	-160	-160.3	163.7	16.5	111.4	V998 L999 D1001 E1003 C1005 F1009 E1018	V998-R1007 CarbonylContact C-O 3.15Å; V998-R1007 VanDerWaalsContact CA-O 3.27Å; V998-R1007 WeakPolarHBondContact CA-O 3.43Å; L999-R1007 PolarHBondContact N-O 3.37Å; L999-R1007 PolarHBondContact O-N 2.92Å; D1001-R1007 HydrophobicContact CB-CG 4.4Å; D1001-R1007 IonicContact OD2-CZ 3.11Å; D1001-R1007 IonicContact OD2-NE 3.16Å; D1001-R1007 PolarHBondContact OD2-NE 3.47Å; D1001-R1007 IonicContact OD2-NH2 2.83Å; D1001-R1007 PolarHBondContact OD2-NH2 3.21Å; E1003-R1007 IonicContact OE2-NH2 3.67Å; C1005-R1007 PolarHBondContact O-N 2.84Å; R1007-F1009 HydrophobicContact CB-CE2 3.93Å; R1007-F1009 HydrophobicContact CB-CZ 4.1Å; R1007-E1018 IonicContact CZ-OE1 3.97Å; R1007-E1018 IonicContact NH1-OE1 2.82Å; R1007-E1018 PolarHBondContact NH1-OE1 3.45Å; R1007-E1018 IonicContact NH1-OE2 2.68Å; R1007-E1018 IonicContact NH2-OE1 3.9Å; R1007-E1018 PolarHBondContact NH2-OE1 2.82Å
1008	R	90.7	Very high	92.6	Very high	108 Å²	108	36.2 Å²	36.2	41%	0.408	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.3	174.5	-179.1	-173.4	170.3	173	4.1	109.5	S995 M997 V998	S995-R1008 VanDerWaalsContact O-CZ 3.29Å; S995-R1008 PolarHBondContact O-NE 2.98Å; S995-R1008 PolarHBondContact O-NH2 3.29Å; M997-R1008 WeakPolarHBondContact O-CA 3.49Å; V998-R1008 HydrophobicContact CG2-CB 4.29Å; V998-R1008 HydrophobicContact CG2-CG 4.28Å
1009	F	92.5	Very high	92.7	Very high	11 Å²	11	36 Å²	36	5%	0.048	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.7	178.8	-62	-89.8	0	0	0	110.5	L716 M997 L999 R1007 D1014 I1015 E1018	L716-F1009 HydrophobicContact CD1-CE1 4.13Å; L716-F1009 HydrophobicContact CD1-CE2 4.07Å; L716-F1009 HydrophobicContact CD1-CZ 3.69Å; L716-F1009 HydrophobicContact CD2-CZ 4.38Å; M997-F1009 HydrophobicContact CB-CB 4.25Å; M997-F1009 PolarHBondContact O-N 2.98Å; L999-F1009 HydrophobicContact CB-CD2 4.42Å; L999-F1009 HydrophobicContact CB-CE2 3.95Å; L999-F1009 HydrophobicContact CD1-CD2 4.36Å; L999-F1009 HydrophobicContact CD1-CE2 4.37Å; L999-F1009 HydrophobicContact CG-CD2 4.49Å; L999-F1009 HydrophobicContact CG-CE2 4.46Å; R1007-F1009 HydrophobicContact CB-CE2 3.93Å; R1007-F1009 HydrophobicContact CB-CZ 4.1Å; F1009-D1014 HydrophobicContact CD1-CB 4.05Å; F1009-I1015 HydrophobicContact CB-CD1 4.01Å; F1009-I1015 HydrophobicContact CB-CG1 3.7Å; F1009-I1015 HydrophobicContact CD1-CG1 3.63Å; F1009-I1015 HydrophobicContact CD2-CD1 4.43Å; F1009-I1015 HydrophobicContact CD2-CG1 3.93Å; F1009-I1015 HydrophobicContact CE1-CG1 4.24Å; F1009-I1015 HydrophobicContact CG-CD1 4.14Å; F1009-I1015 HydrophobicContact CG-CG1 3.44Å; F1009-I1015 VanDerWaalsContact CG-CG1 3.44Å; F1009-E1018 WeakPolarHBondContact CE1-OE2 3.23Å; F1009-E1018 VanDerWaalsContact CZ-OE2 3.28Å; F1009-E1018 WeakPolarHBondContact CZ-OE2 2.91Å
1010	E	88.9	Confident	92.7	Very high	89 Å²	89	37.2 Å²	37.2	42%	0.416	18%	0.181	S	C	.	.	S	Bend	trans	-87	-34.6	179.8	-61.7	-152.8	148.5	0	0	112.3	R1242	E1010-R1242 IonicContact OE1-CZ 3.17Å; E1010-R1242 IonicContact OE1-NH1 2.77Å; E1010-R1242 PolarHBondContact OE1-NH1 3.49Å; E1010-R1242 IonicContact OE1-NH2 3.18Å; E1010-R1242 PolarHBondContact OE1-NH2 3.48Å
1011	N	91.9	Very high	92.8	Very high	47 Å²	47	41 Å²	41	25%	0.251	21%	0.206	S	C	.	.	S	Bend	trans	-144.8	172.2	-176.3	62.1	55.3	0	0	0	110.7	M997 E1013 D1014	M997-N1011 VanDerWaalsContact CE-C 3.44Å; M997-N1011 VanDerWaalsContact CE-CA 3.48Å; N1011-E1013 VanDerWaalsContact C-N 3.33Å; N1011-E1013 WeakPolarHBondContact CB-OE2 3.45Å; N1011-E1013 VanDerWaalsContact CG-OE2 3.27Å; N1011-E1013 WeakPolarHBondContact OD1-CB 3.29Å; N1011-E1013 PolarHBondContact OD1-N 3.39Å; N1011-E1013 VanDerWaalsContact OD1-N 3.15Å; N1011-E1013 PolarHBondContact OD1-OE2 3.4Å; N1011-E1013 VanDerWaalsContact OD1-OE2 3.09Å; N1011-D1014 PolarHBondContact ND2-OD2 2.9Å; N1011-D1014 PolarHBondContact OD1-N 3.35Å; N1011-D1014 PolarHBondContact OD1-OD1 3.2Å; N1011-D1014 PolarHBondContact OD1-OD2 2.9Å
1012	A	94.1	Very high	92.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-76.6	-23.9	-177.3	0	0	0	0	0	112.4	L847 Y865 M886 I1015 L1016	L847-A1012 HydrophobicContact CD1-CB 4.4Å; L847-A1012 HydrophobicContact CD2-CB 3.99Å; Y865-A1012 HydrophobicContact CE1-CB 3.93Å; Y865-A1012 HydrophobicContact CE2-CB 3.82Å; Y865-A1012 VanDerWaalsContact CZ-CB 3.49Å; M886-A1012 HydrophobicContact CE-CB 3.84Å; A1012-I1015 WeakPolarHBondContact O-CB 3.39Å; A1012-I1015 PolarHBondContact O-N 3.22Å; A1012-L1016 PolarHBondContact O-N 2.87Å
1013	E	94.7	Very high	93.2	Very high	27 Å²	27	41 Å²	41	13%	0.126	20%	0.204	C	C	.	.	H	α-helix	trans	-69.7	-35.3	179.2	-59.4	70.7	-153.9	0	0	111.2	P883 P885 M886 N1011 L1016 K1017	P883-E1013 HydrophobicContact CG-CB 4.17Å; P883-E1013 HydrophobicContact CG-CG 4.4Å; P885-E1013 VanDerWaalsContact CA-OE1 3.26Å; P885-E1013 WeakPolarHBondContact CA-OE1 3.31Å; M886-E1013 PolarHBondContact N-OE1 3.25Å; N1011-E1013 VanDerWaalsContact C-N 3.33Å; N1011-E1013 WeakPolarHBondContact CB-OE2 3.45Å; N1011-E1013 VanDerWaalsContact CG-OE2 3.27Å; N1011-E1013 WeakPolarHBondContact OD1-CB 3.29Å; N1011-E1013 PolarHBondContact OD1-N 3.39Å; N1011-E1013 VanDerWaalsContact OD1-N 3.15Å; N1011-E1013 PolarHBondContact OD1-OE2 3.4Å; N1011-E1013 VanDerWaalsContact OD1-OE2 3.09Å; E1013-L1016 WeakPolarHBondContact O-CB 3.13Å; E1013-L1016 PolarHBondContact O-N 2.97Å; E1013-K1017 WeakPolarHBondContact O-CB 3.36Å; E1013-K1017 VanDerWaalsContact O-CG 3.27Å; E1013-K1017 WeakPolarHBondContact O-CG 3.36Å; E1013-K1017 PolarHBondContact O-N 3.34Å
1014	D	94	Very high	93.6	Very high	57 Å²	57	38.4 Å²	38.4	31%	0.305	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-42.2	174.3	-66.9	-24.5	0	0	0	111	F1009 N1011 L1016 K1017 E1018	F1009-D1014 HydrophobicContact CD1-CB 4.05Å; N1011-D1014 PolarHBondContact ND2-OD2 2.9Å; N1011-D1014 PolarHBondContact OD1-N 3.35Å; N1011-D1014 PolarHBondContact OD1-OD1 3.2Å; N1011-D1014 PolarHBondContact OD1-OD2 2.9Å; D1014-L1016 VanDerWaalsContact C-N 3.34Å; D1014-K1017 PolarHBondContact O-N 3.13Å; D1014-E1018 PolarHBondContact O-N 3.26Å; D1014-E1018 VanDerWaalsContact O-N 3.08Å
1015	I	96.3	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-46.9	173.1	-70.7	168.2	0	0	0	110	L716 V846 L847 M997 L999 F1009 A1012 K1017 E1018 F1019	L716-I1015 HydrophobicContact CD1-CB 4.13Å; L716-I1015 HydrophobicContact CD1-CG1 4.15Å; L716-I1015 HydrophobicContact CD1-CG2 3.66Å; V846-I1015 HydrophobicContact CG1-CG2 3.99Å; L847-I1015 HydrophobicContact CD1-CB 4.32Å; L847-I1015 HydrophobicContact CD1-CG2 3.84Å; L847-I1015 HydrophobicContact CD2-CB 4.31Å; L847-I1015 HydrophobicContact CD2-CD1 4Å; L847-I1015 HydrophobicContact CD2-CG2 3.93Å; L847-I1015 HydrophobicContact CG-CG2 3.79Å; M997-I1015 HydrophobicContact CB-CD1 4.33Å; M997-I1015 HydrophobicContact SD-CD1 4.1Å; L999-I1015 HydrophobicContact CD1-CD1 3.83Å; L999-I1015 HydrophobicContact CD1-CG1 4.09Å; L999-I1015 HydrophobicContact CD1-CG2 4.41Å; F1009-I1015 HydrophobicContact CB-CD1 4.01Å; F1009-I1015 HydrophobicContact CB-CG1 3.7Å; F1009-I1015 HydrophobicContact CD1-CG1 3.63Å; F1009-I1015 HydrophobicContact CD2-CD1 4.43Å; F1009-I1015 HydrophobicContact CD2-CG1 3.93Å; F1009-I1015 HydrophobicContact CE1-CG1 4.24Å; F1009-I1015 HydrophobicContact CG-CD1 4.14Å; F1009-I1015 HydrophobicContact CG-CG1 3.44Å; F1009-I1015 VanDerWaalsContact CG-CG1 3.44Å; A1012-I1015 WeakPolarHBondContact O-CB 3.39Å; A1012-I1015 PolarHBondContact O-N 3.22Å; I1015-K1017 VanDerWaalsContact C-N 3.33Å; I1015-K1017 PolarHBondContact O-N 3.48Å; I1015-E1018 PolarHBondContact O-N 3.44Å; I1015-F1019 VanDerWaalsContact O-CB 3.32Å; I1015-F1019 WeakPolarHBondContact O-CB 3.29Å; I1015-F1019 PolarHBondContact O-N 3.03Å
1016	L	96.4	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-41.3	179.4	-174.1	64.8	0	0	0	111.9	P844 L847 L870 N873 I874 M877 P883 M886 A1012 E1013 D1014 Y1020	P844-L1016 HydrophobicContact CG-CD1 3.73Å; L847-L1016 HydrophobicContact CD1-CB 4.38Å; L870-L1016 HydrophobicContact CD2-CD1 4.21Å; N873-L1016 HydrophobicContact CB-CD2 3.63Å; I874-L1016 HydrophobicContact CD1-CD1 4.09Å; I874-L1016 HydrophobicContact CG1-CD1 3.85Å; M877-L1016 HydrophobicContact SD-CD2 4.27Å; M877-L1016 HydrophobicContact SD-CG 4.18Å; P883-L1016 HydrophobicContact CB-CD2 4.2Å; M886-L1016 HydrophobicContact CE-CD2 4.29Å; A1012-L1016 PolarHBondContact O-N 2.87Å; E1013-L1016 WeakPolarHBondContact O-CB 3.13Å; E1013-L1016 PolarHBondContact O-N 2.97Å; D1014-L1016 VanDerWaalsContact C-N 3.34Å; L1016-Y1020 VanDerWaalsContact O-CB 3.24Å; L1016-Y1020 WeakPolarHBondContact O-CB 3.4Å; L1016-Y1020 PolarHBondContact O-N 3.15Å
1017	K	95.8	Very high	94.5	Very high	73 Å²	73	38.2 Å²	38.2	32%	0.317	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-44.2	179.3	-76.3	173	179.2	-173	0	112.9	M877 E882 E1013 D1014 I1015 Y1020 T1021	M877-K1017 HydrophobicContact CE-CB 4.44Å; M877-K1017 HydrophobicContact CE-CG 3.94Å; M877-K1017 HydrophobicContact SD-CG 4.48Å; E882-K1017 WeakPolarHBondContact OE2-CE 3.48Å; E882-K1017 IonicContact OE2-NZ 3.82Å; E882-K1017 PolarHBondContact OE2-NZ 2.78Å; E1013-K1017 WeakPolarHBondContact O-CB 3.36Å; E1013-K1017 VanDerWaalsContact O-CG 3.27Å; E1013-K1017 WeakPolarHBondContact O-CG 3.36Å; E1013-K1017 PolarHBondContact O-N 3.34Å; D1014-K1017 PolarHBondContact O-N 3.13Å; I1015-K1017 VanDerWaalsContact C-N 3.33Å; I1015-K1017 PolarHBondContact O-N 3.48Å; K1017-Y1020 PolarHBondContact O-N 2.94Å; K1017-T1021 PolarHBondContact O-N 3.33Å; K1017-T1021 PolarHBondContact O-OG1 3.38Å; K1017-T1021 VanDerWaalsContact O-OG1 3.1Å
1018	E	95.1	Very high	94.7	Very high	43 Å²	43	36 Å²	36	20%	0.201	19%	0.189	C	C	.	.	H	α-helix	trans	-70.2	-43.3	179.1	-166.5	162.9	-165.1	0	0	110.8	L716 R1007 F1009 D1014 I1015 Y1020 T1021 V1022	L716-E1018 HydrophobicContact CD2-CB 3.79Å; L716-E1018 HydrophobicContact CD2-CG 3.55Å; R1007-E1018 IonicContact CZ-OE1 3.97Å; R1007-E1018 IonicContact NH1-OE1 2.82Å; R1007-E1018 PolarHBondContact NH1-OE1 3.45Å; R1007-E1018 IonicContact NH1-OE2 2.68Å; R1007-E1018 IonicContact NH2-OE1 3.9Å; R1007-E1018 PolarHBondContact NH2-OE1 2.82Å; F1009-E1018 WeakPolarHBondContact CE1-OE2 3.23Å; F1009-E1018 VanDerWaalsContact CZ-OE2 3.28Å; F1009-E1018 WeakPolarHBondContact CZ-OE2 2.91Å; D1014-E1018 PolarHBondContact O-N 3.26Å; D1014-E1018 VanDerWaalsContact O-N 3.08Å; I1015-E1018 PolarHBondContact O-N 3.44Å; E1018-Y1020 VanDerWaalsContact C-N 3.32Å; E1018-Y1020 PolarHBondContact O-N 3.13Å; E1018-T1021 PolarHBondContact O-N 3.21Å; E1018-V1022 PolarHBondContact O-N 3.41Å
1019	F	97	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-43.7	171.5	173.1	-93.6	0	0	0	112.3	V717 P841 P844 I1015 T1021 V1022 R1023 W1166	V717-F1019 HydrophobicContact CG1-CE2 4.48Å; V717-F1019 WeakPolarHBondContact O-CD2 3.27Å; V717-F1019 WeakPolarHBondContact O-CE2 3.47Å; P841-F1019 HydrophobicContact CG-CE2 4.13Å; P841-F1019 HydrophobicContact CG-CZ 4.39Å; P841-F1019 VanDerWaalsContact O-CZ 3.25Å; P841-F1019 WeakPolarHBondContact O-CZ 3.39Å; P844-F1019 HydrophobicContact CB-CB 4.22Å; P844-F1019 HydrophobicContact CB-CD1 3.95Å; P844-F1019 HydrophobicContact CB-CD2 3.95Å; P844-F1019 HydrophobicContact CB-CE1 4.29Å; P844-F1019 HydrophobicContact CB-CE2 4.3Å; P844-F1019 HydrophobicContact CB-CG 3.76Å; P844-F1019 HydrophobicContact CB-CZ 4.44Å; P844-F1019 HydrophobicContact CG-CD1 4.07Å; P844-F1019 HydrophobicContact CG-CE1 4.37Å; P844-F1019 HydrophobicContact CG-CG 4.35Å; I1015-F1019 VanDerWaalsContact O-CB 3.32Å; I1015-F1019 WeakPolarHBondContact O-CB 3.29Å; I1015-F1019 PolarHBondContact O-N 3.03Å; F1019-T1021 VanDerWaalsContact C-N 3.27Å; F1019-T1021 PolarHBondContact O-N 3.02Å; F1019-V1022 PolarHBondContact O-N 2.79Å; F1019-V1022 VanDerWaalsContact O-N 3.17Å; F1019-R1023 HydrophobicContact CD1-CB 4.45Å; F1019-R1023 HydrophobicContact CE1-CB 3.98Å; F1019-R1023 HydrophobicContact CE1-CG 4.3Å; F1019-R1023 HydrophobicContact CZ-CB 4.09Å; F1019-R1023 HydrophobicContact CZ-CG 4.29Å; F1019-R1023 PolarHBondContact O-N 3.26Å; F1019-W1166 HydrophobicContact CE1-CZ2 4.24Å
1020	Y	96.7	Very high	95	Very high	26 Å²	26	35.9 Å²	35.9	10%	0.102	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-43.2	-178.4	169	-86.9	0	0	0	112.2	M877 L878 L1016 K1017 E1018 V1022 R1023 L1024 W1166	M877-Y1020 HydrophobicContact CB-CD2 3.87Å; M877-Y1020 HydrophobicContact CB-CE2 3.68Å; M877-Y1020 HydrophobicContact CE-CD1 3.63Å; M877-Y1020 HydrophobicContact CE-CD2 3.85Å; M877-Y1020 HydrophobicContact CE-CE1 4.27Å; M877-Y1020 HydrophobicContact CE-CE2 4.44Å; M877-Y1020 HydrophobicContact CE-CG 3.4Å; M877-Y1020 PolarHBondContact O-OH 2.93Å; M877-Y1020 HydrophobicContact SD-CD2 4.26Å; M877-Y1020 HydrophobicContact SD-CG 4.27Å; L878-Y1020 HydrophobicContact CD2-CE2 3.94Å; L878-Y1020 HydrophobicContact CG-CE2 4.24Å; L1016-Y1020 VanDerWaalsContact O-CB 3.24Å; L1016-Y1020 WeakPolarHBondContact O-CB 3.4Å; L1016-Y1020 PolarHBondContact O-N 3.15Å; K1017-Y1020 PolarHBondContact O-N 2.94Å; E1018-Y1020 VanDerWaalsContact C-N 3.32Å; E1018-Y1020 PolarHBondContact O-N 3.13Å; Y1020-V1022 VanDerWaalsContact C-N 3.34Å; Y1020-V1022 PolarHBondContact O-N 3.48Å; Y1020-R1023 PolarHBondContact O-N 2.9Å; Y1020-L1024 HydrophobicContact CE1-CD2 4.03Å; Y1020-L1024 WeakPolarHBondContact O-CB 3.17Å; Y1020-L1024 PolarHBondContact O-N 3.16Å; Y1020-W1166 AromaticContact CD2-CH2 3.47Å; Y1020-W1166 HydrophobicContact CD2-CH2 3.47Å; Y1020-W1166 VanDerWaalsContact CD2-CH2 3.47Å; Y1020-W1166 AromaticContact CD2-CZ3 3.54Å; Y1020-W1166 HydrophobicContact CD2-CZ3 3.54Å; Y1020-W1166 HydrophobicContact CE2-CH2 4.09Å; Y1020-W1166 AromaticContact CE2-CZ3 3.69Å; Y1020-W1166 HydrophobicContact CE2-CZ3 3.69Å; Y1020-W1166 HydrophobicContact CG-CH2 4.12Å; Y1020-W1166 HydrophobicContact CG-CZ3 4.28Å
1021	T	95.6	Very high	95.3	Very high	95 Å²	95	33.4 Å²	33.4	58%	0.583	18%	0.179	S	C	*	.	H	α-helix	trans	-63.2	-43.8	-179.5	-54.8	0	0	0	0	110.9	K1017 E1018 F1019 S1025	K1017-T1021 PolarHBondContact O-N 3.33Å; K1017-T1021 PolarHBondContact O-OG1 3.38Å; K1017-T1021 VanDerWaalsContact O-OG1 3.1Å; E1018-T1021 PolarHBondContact O-N 3.21Å; F1019-T1021 VanDerWaalsContact C-N 3.27Å; F1019-T1021 PolarHBondContact O-N 3.02Å; T1021-S1025 PolarHBondContact O-N 3.44Å
1022	V	95.2	Very high	95.5	Very high	19 Å²	19	34.3 Å²	34.3	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-50.5	177.1	178.9	0	0	0	0	110.4	V717 W838 A1002 E1018 F1019 Y1020 L1024 S1025 M1026	V717-V1022 HydrophobicContact CG1-CG1 4.11Å; V717-V1022 HydrophobicContact CG2-CG1 4.28Å; W838-V1022 HydrophobicContact CH2-CG1 3.89Å; W838-V1022 HydrophobicContact CZ2-CG1 4.46Å; W838-V1022 HydrophobicContact CZ3-CG1 4.33Å; A1002-V1022 HydrophobicContact CB-CG1 4.49Å; A1002-V1022 HydrophobicContact CB-CG2 3.88Å; E1018-V1022 PolarHBondContact O-N 3.41Å; F1019-V1022 PolarHBondContact O-N 2.79Å; F1019-V1022 VanDerWaalsContact O-N 3.17Å; Y1020-V1022 VanDerWaalsContact C-N 3.34Å; Y1020-V1022 PolarHBondContact O-N 3.48Å; V1022-L1024 PolarHBondContact O-N 3.47Å; V1022-S1025 WeakPolarHBondContact O-CB 3.41Å; V1022-S1025 PolarHBondContact O-N 3.48Å; V1022-S1025 PolarHBondContact O-OG 3.38Å; V1022-M1026 PolarHBondContact O-N 3.13Å
1023	R	97.1	Very high	95.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-40.1	-176.9	-177.6	58	-176.4	170.6	8.1	112.5	D820 C840 P841 F1019 Y1020 S1025 M1026 Y1027 W1166 D1169	D820-R1023 IonicContact OD1-NH1 3.97Å; D820-R1023 IonicContact OD1-NH2 2.75Å; D820-R1023 IonicContact OD2-CZ 2.61Å; D820-R1023 VanDerWaalsContact OD2-CZ 3.26Å; D820-R1023 IonicContact OD2-NH1 3.56Å; D820-R1023 PolarHBondContact OD2-NH1 3.06Å; D820-R1023 IonicContact OD2-NH2 3.26Å; D820-R1023 PolarHBondContact OD2-NH2 3.08Å; C840-R1023 PolarHBondContact O-NH1 3.36Å; C840-R1023 WeakPolarHBondContact SG-CD 3.23Å; P841-R1023 VanDerWaalsContact O-CD 3.27Å; P841-R1023 WeakPolarHBondContact O-CD 3.28Å; P841-R1023 PolarHBondContact O-NE 3.3Å; F1019-R1023 HydrophobicContact CD1-CB 4.45Å; F1019-R1023 HydrophobicContact CE1-CB 3.98Å; F1019-R1023 HydrophobicContact CE1-CG 4.3Å; F1019-R1023 HydrophobicContact CZ-CB 4.09Å; F1019-R1023 HydrophobicContact CZ-CG 4.29Å; F1019-R1023 PolarHBondContact O-N 3.26Å; Y1020-R1023 PolarHBondContact O-N 2.9Å; R1023-S1025 VanDerWaalsContact C-N 3.3Å; R1023-S1025 PolarHBondContact O-N 3.14Å; R1023-M1026 WeakPolarHBondContact O-CB 3.34Å; R1023-M1026 PolarHBondContact O-N 2.97Å; R1023-M1026 VanDerWaalsContact O-N 3.11Å; R1023-Y1027 HydrophobicContact CG-CD2 4.06Å; R1023-Y1027 HydrophobicContact CG-CE2 3.77Å; R1023-Y1027 VanDerWaalsContact NH2-CZ 3.31Å; R1023-Y1027 PolarHBondContact NH2-OH 2.89Å; R1023-Y1027 WeakPolarHBondContact O-CD2 3.49Å; R1023-Y1027 PolarHBondContact O-N 3.22Å; R1023-W1166 HydrophobicContact CB-CH2 3.68Å; R1023-W1166 HydrophobicContact CB-CZ2 3.87Å; R1023-W1166 HydrophobicContact CB-CZ3 4.21Å; R1023-W1166 HydrophobicContact CG-CD2 4.21Å; R1023-W1166 HydrophobicContact CG-CE3 4.35Å; R1023-W1166 HydrophobicContact CG-CH2 3.67Å; R1023-W1166 HydrophobicContact CG-CZ2 3.41Å; R1023-W1166 VanDerWaalsContact CG-CZ2 3.41Å; R1023-W1166 HydrophobicContact CG-CZ3 4.12Å; R1023-D1169 IonicContact NH2-OD2 3.72Å
1024	L	95.5	Very high	95.4	Very high	47 Å²	47	36 Å²	36	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-39.8	176.3	-171.9	63.1	0	0	0	111.8	Y1020 V1022 M1026 Y1027 A1028 P1162 K1163 W1166	Y1020-L1024 HydrophobicContact CE1-CD2 4.03Å; Y1020-L1024 WeakPolarHBondContact O-CB 3.17Å; Y1020-L1024 PolarHBondContact O-N 3.16Å; V1022-L1024 PolarHBondContact O-N 3.47Å; L1024-M1026 VanDerWaalsContact C-N 3.31Å; L1024-M1026 PolarHBondContact O-N 3Å; L1024-Y1027 PolarHBondContact O-N 3.13Å; L1024-A1028 PolarHBondContact O-N 3.12Å; L1024-P1162 HydrophobicContact CD1-CB 4.32Å; L1024-K1163 HydrophobicContact CD1-CG 4.12Å; L1024-W1166 HydrophobicContact CB-CZ3 4.05Å; L1024-W1166 HydrophobicContact CD1-CE3 4.24Å; L1024-W1166 HydrophobicContact CD1-CZ3 4.41Å
1025	S	95.7	Very high	95.4	Very high	60 Å²	60	35.1 Å²	35.1	42%	0.42	20%	0.196	S	C	.	.	H	α-helix	trans	-64.5	-36.3	174.6	82.2	0	0	0	0	112.2	T1021 V1022 R1023 A1028 K1029	T1021-S1025 PolarHBondContact O-N 3.44Å; V1022-S1025 WeakPolarHBondContact O-CB 3.41Å; V1022-S1025 PolarHBondContact O-N 3.48Å; V1022-S1025 PolarHBondContact O-OG 3.38Å; R1023-S1025 VanDerWaalsContact C-N 3.3Å; R1023-S1025 PolarHBondContact O-N 3.14Å; S1025-A1028 WeakPolarHBondContact O-CB 3.48Å; S1025-A1028 PolarHBondContact O-N 3.36Å; S1025-K1029 PolarHBondContact O-N 2.83Å; S1025-K1029 VanDerWaalsContact O-N 3.11Å
1026	M	94.8	Very high	95.3	Very high	3 Å²	3	36 Å²	36	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-67.8	-36.5	175.8	-74.9	-64	-66.4	0	0	112.4	C823 L824 W838 C840 V1022 R1023 L1024 A1028 K1029 R1030	C823-M1026 HydrophobicContact CB-CE 3.63Å; L824-M1026 HydrophobicContact CD2-CE 3.78Å; W838-M1026 HydrophobicContact CH2-SD 4.39Å; W838-M1026 HydrophobicContact CZ3-CG 4.43Å; W838-M1026 HydrophobicContact CZ3-SD 4.45Å; C840-M1026 HydrophobicContact CB-CE 4.23Å; C840-M1026 HydrophobicContact CB-CG 4.11Å; V1022-M1026 PolarHBondContact O-N 3.13Å; R1023-M1026 WeakPolarHBondContact O-CB 3.34Å; R1023-M1026 PolarHBondContact O-N 2.97Å; R1023-M1026 VanDerWaalsContact O-N 3.11Å; L1024-M1026 VanDerWaalsContact C-N 3.31Å; L1024-M1026 PolarHBondContact O-N 3Å; M1026-A1028 VanDerWaalsContact C-N 3.28Å; M1026-A1028 PolarHBondContact O-N 2.94Å; M1026-K1029 PolarHBondContact O-N 2.64Å; M1026-K1029 HydrophobicContact SD-CD 3.94Å; M1026-R1030 WeakPolarHBondContact O-CB 3.44Å; M1026-R1030 PolarHBondContact O-N 3.15Å
1027	Y	96.2	Very high	95.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-35.7	171.1	-84.8	-76	0	0	0	112.7	R1023 L1024 K1031 L1165 W1166 D1169	R1023-Y1027 HydrophobicContact CG-CD2 4.06Å; R1023-Y1027 HydrophobicContact CG-CE2 3.77Å; R1023-Y1027 VanDerWaalsContact NH2-CZ 3.31Å; R1023-Y1027 PolarHBondContact NH2-OH 2.89Å; R1023-Y1027 WeakPolarHBondContact O-CD2 3.49Å; R1023-Y1027 PolarHBondContact O-N 3.22Å; L1024-Y1027 PolarHBondContact O-N 3.13Å; Y1027-K1031 VanDerWaalsContact O-CB 3.28Å; Y1027-K1031 WeakPolarHBondContact O-CB 3.4Å; Y1027-K1031 PolarHBondContact O-N 2.98Å; Y1027-L1165 HydrophobicContact CD1-CB 3.73Å; Y1027-L1165 HydrophobicContact CE1-CB 3.95Å; Y1027-W1166 HydrophobicContact CD2-CB 3.93Å; Y1027-W1166 AromaticContact CD2-CD2 3.88Å; Y1027-W1166 HydrophobicContact CD2-CD2 3.88Å; Y1027-W1166 AromaticContact CD2-CE3 3.94Å; Y1027-W1166 HydrophobicContact CD2-CE3 3.94Å; Y1027-W1166 AromaticContact CD2-CG 3.89Å; Y1027-W1166 HydrophobicContact CD2-CG 3.89Å; Y1027-W1166 HydrophobicContact CE1-CB 4.16Å; Y1027-W1166 HydrophobicContact CE2-CB 3.43Å; Y1027-W1166 VanDerWaalsContact CE2-CB 3.43Å; Y1027-W1166 AromaticContact CE2-CD1 3.45Å; Y1027-W1166 VanDerWaalsContact CE2-CD1 3.45Å; Y1027-W1166 AromaticContact CE2-CD2 3.37Å; Y1027-W1166 HydrophobicContact CE2-CD2 3.37Å; Y1027-W1166 AromaticContact CE2-CE2 3.89Å; Y1027-W1166 AromaticContact CE2-CE3 3.91Å; Y1027-W1166 HydrophobicContact CE2-CE3 3.91Å; Y1027-W1166 AromaticContact CE2-CG 3.11Å; Y1027-W1166 HydrophobicContact CE2-CG 3.11Å; Y1027-W1166 AromaticContact CE2-NE1 3.87Å; Y1027-W1166 HydrophobicContact CG-CB 4.46Å; Y1027-W1166 VanDerWaalsContact CZ-CA 3.44Å; Y1027-W1166 AromaticContact CZ-CD1 3.62Å; Y1027-W1166 AromaticContact CZ-CG 3.54Å; Y1027-W1166 WeakPolarHBondContact OH-CA 3.49Å; Y1027-D1169 WeakPolarHBondContact CE1-OD2 3.42Å; Y1027-D1169 WeakPolarHBondContact OH-CB 3.48Å; Y1027-D1169 PolarHBondContact OH-OD2 2.82Å
1028	A	95.2	Very high	95	Very high	49 Å²	49	35.3 Å²	35.3	41%	0.405	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-44.1	174	0	0	0	0	0	111.4	L1024 S1025 M1026 K1031 A1032 P1162	L1024-A1028 PolarHBondContact O-N 3.12Å; S1025-A1028 WeakPolarHBondContact O-CB 3.48Å; S1025-A1028 PolarHBondContact O-N 3.36Å; M1026-A1028 VanDerWaalsContact C-N 3.28Å; M1026-A1028 PolarHBondContact O-N 2.94Å; A1028-K1031 PolarHBondContact O-N 3.08Å; A1028-A1032 PolarHBondContact O-N 3.38Å; A1028-P1162 HydrophobicContact CB-CG 4.44Å
1029	K	94.6	Very high	95	Very high	111 Å²	111	35.4 Å²	35.4	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-48.2	174.3	-68.5	-175.7	180	-176.3	0	112.1	C823 S1025 M1026 K1031 A1032 H1033	C823-K1029 HydrophobicContact CB-CB 4.21Å; S1025-K1029 PolarHBondContact O-N 2.83Å; S1025-K1029 VanDerWaalsContact O-N 3.11Å; M1026-K1029 PolarHBondContact O-N 2.64Å; M1026-K1029 HydrophobicContact SD-CD 3.94Å; K1029-K1031 PolarHBondContact O-N 3.07Å; K1029-A1032 PolarHBondContact O-N 3.19Å; K1029-H1033 WeakPolarHBondContact O-CB 3.47Å; K1029-H1033 PolarHBondContact O-N 3.02Å
1030	R	95	Very high	94.8	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-55.1	-51	174.8	167	-174	-90	-161.8	-5.8	111	H817 D820 M1026 A1032 H1033 L1034 D1169	H817-R1030 PolarHBondContact CD2-NH1 3.16Å; H817-R1030 VanDerWaalsContact CD2-NH1 3.33Å; H817-R1030 PolarHBondContact ND1-NH2 3.3Å; H817-R1030 PolarHBondContact O-NH2 3.05Å; D820-R1030 VanDerWaalsContact N-NH2 3.16Å; D820-R1030 IonicContact OD1-CZ 3.79Å; D820-R1030 IonicContact OD1-NE 3.15Å; D820-R1030 PolarHBondContact OD1-NE 3.13Å; D820-R1030 IonicContact OD1-NH2 2.67Å; D820-R1030 PolarHBondContact OD1-NH2 3.34Å; D820-R1030 VanDerWaalsContact OD1-NH2 3.09Å; D820-R1030 IonicContact OD2-CZ 2.75Å; D820-R1030 IonicContact OD2-NH2 2.73Å; D820-R1030 PolarHBondContact OD2-NH2 3.11Å; D820-R1030 VanDerWaalsContact OD2-NH2 3.16Å; M1026-R1030 WeakPolarHBondContact O-CB 3.44Å; M1026-R1030 PolarHBondContact O-N 3.15Å; R1030-A1032 VanDerWaalsContact C-N 3.31Å; R1030-A1032 PolarHBondContact O-N 3.46Å; R1030-H1033 PolarHBondContact O-N 2.92Å; R1030-L1034 HydrophobicContact CG-CD1 3.68Å; R1030-L1034 HydrophobicContact CG-CG 4.17Å; R1030-L1034 WeakPolarHBondContact O-CB 3.49Å; R1030-L1034 WeakPolarHBondContact O-CG 3.36Å; R1030-L1034 PolarHBondContact O-N 2.89Å; R1030-D1169 IonicContact CZ-OD2 3.61Å; R1030-D1169 IonicContact NH1-OD1 2.67Å; R1030-D1169 IonicContact NH1-OD2 2.78Å; R1030-D1169 PolarHBondContact NH1-OD2 3.36Å
1031	K	95.3	Very high	94.6	Very high	37 Å²	37	37 Å²	37	16%	0.161	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-45.8	-178.8	-176.5	-178	173	-175.3	0	110.4	Y1027 A1028 K1029 L1034 I1035 L1157 K1158 K1160 L1165	Y1027-K1031 VanDerWaalsContact O-CB 3.28Å; Y1027-K1031 WeakPolarHBondContact O-CB 3.4Å; Y1027-K1031 PolarHBondContact O-N 2.98Å; A1028-K1031 PolarHBondContact O-N 3.08Å; K1029-K1031 PolarHBondContact O-N 3.07Å; K1031-L1034 PolarHBondContact O-N 2.87Å; K1031-I1035 HydrophobicContact CD-CD1 4.42Å; K1031-I1035 HydrophobicContact CG-CD1 3.89Å; K1031-I1035 HydrophobicContact CG-CG1 4.47Å; K1031-I1035 WeakPolarHBondContact O-CB 3.47Å; K1031-I1035 VanDerWaalsContact O-CG1 3.27Å; K1031-I1035 WeakPolarHBondContact O-CG1 3.11Å; K1031-I1035 PolarHBondContact O-N 3.46Å; K1031-L1157 VanDerWaalsContact CE-O 3.28Å; K1031-L1157 WeakPolarHBondContact CE-O 2.95Å; K1031-K1158 PolarHBondContact NZ-O 3.39Å; K1031-K1160 WeakPolarHBondContact CE-O 3.37Å; K1031-K1160 PolarHBondContact NZ-O 3.2Å; K1031-L1165 HydrophobicContact CB-CD1 3.95Å; K1031-L1165 HydrophobicContact CD-CD1 4.49Å; K1031-L1165 HydrophobicContact CG-CD1 4.21Å
1032	A	94.3	Very high	94.5	Very high	65 Å²	65	32.5 Å²	32.5	54%	0.537	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-44.9	177.1	0	0	0	0	0	112	A1028 K1029 R1030 I1035 G1036	A1028-A1032 PolarHBondContact O-N 3.38Å; K1029-A1032 PolarHBondContact O-N 3.19Å; R1030-A1032 VanDerWaalsContact C-N 3.31Å; R1030-A1032 PolarHBondContact O-N 3.46Å; A1032-I1035 PolarHBondContact O-N 2.82Å; A1032-G1036 PolarHBondContact O-N 3.48Å
1033	H	93.3	Very high	94.4	Very high	27 Å²	27	35.9 Å²	35.9	13%	0.125	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-48.6	176.8	-178.4	88.1	0	0	0	112.2	P822 K1029 R1030 I1035 G1036 L1037 W1087 Q1091	P822-H1033 WeakPolarHBondContact CB-CE1 3.29Å; P822-H1033 WeakPolarHBondContact CB-NE2 3.24Å; P822-H1033 WeakPolarHBondContact CG-NE2 3.45Å; K1029-H1033 WeakPolarHBondContact O-CB 3.47Å; K1029-H1033 PolarHBondContact O-N 3.02Å; R1030-H1033 PolarHBondContact O-N 2.92Å; H1033-I1035 PolarHBondContact O-N 3.1Å; H1033-G1036 PolarHBondContact O-N 3.1Å; H1033-L1037 PolarHBondContact O-N 3.37Å; H1033-W1087 AromaticContact CE1-CH2 3.26Å; H1033-W1087 WeakPolarHBondContact CE1-CH2 3.28Å; H1033-W1087 AromaticContact CE1-CZ2 3.87Å; H1033-W1087 AromaticContact ND1-CH2 3.76Å; H1033-W1087 AromaticContact ND1-CZ2 3.9Å; H1033-W1087 AromaticContact NE2-CH2 3.54Å; H1033-Q1091 PolarHBondContact ND1-NE2 2.97Å; H1033-Q1091 VanDerWaalsContact ND1-NE2 3.14Å
1034	L	93.6	Very high	94.2	Very high	36 Å²	36	39 Å²	39	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-39.5	179.2	-72.6	175.8	0	0	0	112.2	R1030 K1031 G1036 L1037 L1038 L1157	R1030-L1034 HydrophobicContact CG-CD1 3.68Å; R1030-L1034 HydrophobicContact CG-CG 4.17Å; R1030-L1034 WeakPolarHBondContact O-CB 3.49Å; R1030-L1034 WeakPolarHBondContact O-CG 3.36Å; R1030-L1034 PolarHBondContact O-N 2.89Å; K1031-L1034 PolarHBondContact O-N 2.87Å; L1034-G1036 VanDerWaalsContact C-N 3.34Å; L1034-L1037 PolarHBondContact O-N 2.89Å; L1034-L1038 VanDerWaalsContact O-CB 3.3Å; L1034-L1038 WeakPolarHBondContact O-CB 3.4Å; L1034-L1038 WeakPolarHBondContact O-CG 3.02Å; L1034-L1038 PolarHBondContact O-N 2.87Å; L1034-L1157 HydrophobicContact CB-CD2 3.51Å; L1034-L1157 HydrophobicContact CD1-CD2 4.48Å
1035	I	94.9	Very high	94.1	Very high	39 Å²	39	37.9 Å²	37.9	20%	0.2	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-45	172.8	-73.8	171.9	0	0	0	110.3	K1031 A1032 H1033 T1039 L1154 L1157 K1158	K1031-I1035 HydrophobicContact CD-CD1 4.42Å; K1031-I1035 HydrophobicContact CG-CD1 3.89Å; K1031-I1035 HydrophobicContact CG-CG1 4.47Å; K1031-I1035 WeakPolarHBondContact O-CB 3.47Å; K1031-I1035 VanDerWaalsContact O-CG1 3.27Å; K1031-I1035 WeakPolarHBondContact O-CG1 3.11Å; K1031-I1035 PolarHBondContact O-N 3.46Å; A1032-I1035 PolarHBondContact O-N 2.82Å; H1033-I1035 PolarHBondContact O-N 3.1Å; I1035-T1039 WeakPolarHBondContact O-CB 3.4Å; I1035-T1039 PolarHBondContact O-N 3.25Å; I1035-T1039 PolarHBondContact O-OG1 2.87Å; I1035-L1154 HydrophobicContact CG2-CD1 4.22Å; I1035-L1157 HydrophobicContact CG1-CD2 3.88Å; I1035-L1157 HydrophobicContact CG1-CG 4.2Å; I1035-K1158 HydrophobicContact CD1-CG 3.98Å; I1035-K1158 HydrophobicContact CG1-CG 4.24Å
1036	G	93.3	Very high	94	Very high	18 Å²	18	39 Å²	39	19%	0.186	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-48.9	176.3	0	0	0	0	0	112.3	A1032 H1033 L1034 T1039 A1040	A1032-G1036 PolarHBondContact O-N 3.48Å; H1033-G1036 PolarHBondContact O-N 3.1Å; L1034-G1036 VanDerWaalsContact C-N 3.34Å; G1036-T1039 PolarHBondContact O-N 3.19Å; G1036-A1040 PolarHBondContact O-N 3.26Å
1037	L	93	Very high	93.9	Very high	39 Å²	39	39 Å²	39	20%	0.204	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-51.5	179.2	179.9	62.9	0	0	0	112.2	H1033 L1034 T1039 A1040 Q1041 L1084 W1087	H1033-L1037 PolarHBondContact O-N 3.37Å; L1034-L1037 PolarHBondContact O-N 2.89Å; L1037-T1039 VanDerWaalsContact C-N 3.29Å; L1037-T1039 PolarHBondContact O-N 3.31Å; L1037-A1040 PolarHBondContact O-N 3.23Å; L1037-Q1041 HydrophobicContact CD1-CG 4.39Å; L1037-Q1041 WeakPolarHBondContact O-CG 2.97Å; L1037-Q1041 PolarHBondContact O-N 3.22Å; L1037-L1084 HydrophobicContact CD1-CD1 3.8Å; L1037-W1087 HydrophobicContact CB-CH2 3.65Å; L1037-W1087 HydrophobicContact CB-CZ2 4.04Å; L1037-W1087 HydrophobicContact CB-CZ3 4.12Å; L1037-W1087 HydrophobicContact CD1-CE3 4.18Å; L1037-W1087 HydrophobicContact CD1-CH2 4.03Å; L1037-W1087 HydrophobicContact CD1-CZ3 3.62Å; L1037-W1087 HydrophobicContact CG-CH2 4.37Å; L1037-W1087 HydrophobicContact CG-CZ3 4.43Å
1038	L	93.3	Very high	93.7	Very high	20 Å²	20	40.4 Å²	40.4	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-35.6	179.9	-76	173.2	0	0	0	111.5	L1034 Q1041 A1042 K1150 L1154 L1157	L1034-L1038 VanDerWaalsContact O-CB 3.3Å; L1034-L1038 WeakPolarHBondContact O-CB 3.4Å; L1034-L1038 WeakPolarHBondContact O-CG 3.02Å; L1034-L1038 PolarHBondContact O-N 2.87Å; L1038-Q1041 PolarHBondContact O-N 2.92Å; L1038-A1042 WeakPolarHBondContact O-CB 3.28Å; L1038-A1042 PolarHBondContact O-N 3.36Å; L1038-K1150 HydrophobicContact CD2-CD 4.14Å; L1038-L1154 HydrophobicContact CB-CB 4.24Å; L1038-L1154 HydrophobicContact CB-CD1 3.81Å; L1038-L1157 HydrophobicContact CD1-CB 4.46Å; L1038-L1157 HydrophobicContact CD1-CD2 3.68Å
1039	T	94.9	Very high	93.5	Very high	45 Å²	45	38.2 Å²	38.2	28%	0.276	20%	0.197	S	C	.	.	H	α-helix	trans	-62.9	-45.4	173.7	-58.8	0	0	0	0	110.9	I1035 G1036 L1037 A1042 K1043 L1154	I1035-T1039 WeakPolarHBondContact O-CB 3.4Å; I1035-T1039 PolarHBondContact O-N 3.25Å; I1035-T1039 PolarHBondContact O-OG1 2.87Å; G1036-T1039 PolarHBondContact O-N 3.19Å; L1037-T1039 VanDerWaalsContact C-N 3.29Å; L1037-T1039 PolarHBondContact O-N 3.31Å; T1039-A1042 PolarHBondContact O-N 3.07Å; T1039-K1043 WeakPolarHBondContact O-CB 2.97Å; T1039-K1043 WeakPolarHBondContact O-CG 3.34Å; T1039-K1043 PolarHBondContact O-N 2.82Å; T1039-L1154 WeakPolarHBondContact OG1-CD1 3.38Å
1040	A	93	Very high	93.4	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-40.5	178.1	0	0	0	0	0	112.3	G1036 L1037 R1044 L1084 W1087	G1036-A1040 PolarHBondContact O-N 3.26Å; L1037-A1040 PolarHBondContact O-N 3.23Å; A1040-R1044 WeakPolarHBondContact O-CB 3.38Å; A1040-R1044 PolarHBondContact O-N 3.03Å; A1040-L1084 HydrophobicContact CB-CD1 4.08Å; A1040-W1087 HydrophobicContact CB-CB 3.91Å; A1040-W1087 HydrophobicContact CB-CG 4.15Å
1041	Q	93.2	Very high	93.2	Very high	55 Å²	55	36.5 Å²	36.5	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-45.6	175	-72.2	178.7	-13.6	0	0	112.3	L1037 L1038 R1044 L1045 L1084	L1037-Q1041 HydrophobicContact CD1-CG 4.39Å; L1037-Q1041 WeakPolarHBondContact O-CG 2.97Å; L1037-Q1041 PolarHBondContact O-N 3.22Å; L1038-Q1041 PolarHBondContact O-N 2.92Å; Q1041-R1044 PolarHBondContact O-N 3.19Å; Q1041-L1045 PolarHBondContact O-N 3.09Å; Q1041-L1084 HydrophobicContact CG-CD1 3.83Å
1042	A	93.1	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-44.4	178.8	0	0	0	0	0	111.3	L1038 T1039 L1045 E1046 K1150 F1151	L1038-A1042 WeakPolarHBondContact O-CB 3.28Å; L1038-A1042 PolarHBondContact O-N 3.36Å; T1039-A1042 PolarHBondContact O-N 3.07Å; A1042-L1045 PolarHBondContact O-N 3.21Å; A1042-E1046 WeakPolarHBondContact O-CB 3.32Å; A1042-E1046 PolarHBondContact O-N 2.89Å; A1042-K1150 HydrophobicContact CB-CB 4.37Å; A1042-F1151 HydrophobicContact CB-CD1 4.09Å; A1042-F1151 HydrophobicContact CB-CD2 4.16Å; A1042-F1151 HydrophobicContact CB-CE1 3.91Å; A1042-F1151 HydrophobicContact CB-CE2 3.98Å; A1042-F1151 HydrophobicContact CB-CG 4.22Å; A1042-F1151 HydrophobicContact CB-CZ 3.85Å
1043	K	92.8	Very high	92.7	Very high	90 Å²	90	34.5 Å²	34.5	39%	0.391	17%	0.168	S	C	.	.	H	α-helix	trans	-63.2	-41	174.5	-77.2	-171.2	169.2	-156.9	0	113.2	T1039 L1045 E1046 N1047 P1083	T1039-K1043 WeakPolarHBondContact O-CB 2.97Å; T1039-K1043 WeakPolarHBondContact O-CG 3.34Å; T1039-K1043 PolarHBondContact O-N 2.82Å; K1043-L1045 PolarHBondContact O-N 3.29Å; K1043-E1046 PolarHBondContact O-N 3.02Å; K1043-N1047 WeakPolarHBondContact O-CB 3.42Å; K1043-N1047 PolarHBondContact O-N 2.8Å; K1043-P1083 HydrophobicContact CB-CB 4.03Å; K1043-P1083 HydrophobicContact CB-CG 3.99Å
1044	R	93.3	Very high	92.6	Very high	65 Å²	65	34.2 Å²	34.2	25%	0.245	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-46.5	175.9	-175.8	-175.7	176.6	124.1	-4.3	111	A1040 Q1041 N1047 Q1048 D1082 Y1126	A1040-R1044 WeakPolarHBondContact O-CB 3.38Å; A1040-R1044 PolarHBondContact O-N 3.03Å; Q1041-R1044 PolarHBondContact O-N 3.19Å; R1044-N1047 PolarHBondContact O-N 3.14Å; R1044-Q1048 WeakPolarHBondContact O-CG 3.02Å; R1044-Q1048 PolarHBondContact O-N 2.93Å; R1044-D1082 IonicContact CZ-OD1 3.01Å; R1044-D1082 IonicContact CZ-OD2 2.65Å; R1044-D1082 IonicContact NH1-OD1 2.68Å; R1044-D1082 PolarHBondContact NH1-OD1 2.97Å; R1044-D1082 IonicContact NH1-OD2 2.74Å; R1044-D1082 PolarHBondContact NH1-OD2 3.25Å; R1044-D1082 IonicContact NH2-OD2 3.72Å; R1044-Y1126 HydrophobicContact CG-CD2 3.68Å; R1044-Y1126 HydrophobicContact CG-CE2 3.91Å; R1044-Y1126 VanDerWaalsContact NH2-CB 3.35Å
1045	L	92.8	Very high	92.3	Very high	24 Å²	24	34 Å²	34	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-36.1	177	-75.4	167.8	0	0	0	112.5	Q1041 A1042 K1043 Q1048 A1049 L1143 E1146 R1147 K1150	Q1041-L1045 PolarHBondContact O-N 3.09Å; A1042-L1045 PolarHBondContact O-N 3.21Å; K1043-L1045 PolarHBondContact O-N 3.29Å; L1045-Q1048 PolarHBondContact O-N 2.76Å; L1045-A1049 VanDerWaalsContact O-CB 3.26Å; L1045-A1049 WeakPolarHBondContact O-CB 3.47Å; L1045-A1049 PolarHBondContact O-N 2.78Å; L1045-L1143 HydrophobicContact CD2-CD2 4.17Å; L1045-E1146 HydrophobicContact CD1-CB 4.5Å; L1045-R1147 HydrophobicContact CB-CB 4.03Å; L1045-R1147 HydrophobicContact CB-CG 4.23Å; L1045-K1150 HydrophobicContact CD1-CB 4.18Å; L1045-K1150 HydrophobicContact CD1-CG 3.65Å
1046	E	93.7	Very high	92	Very high	82 Å²	82	36.3 Å²	36.3	38%	0.383	18%	0.176	S	C	.	.	H	α-helix	trans	-60.6	-46.8	173.1	-177.3	176.4	-159.7	0	0	111.3	A1042 K1043 A1049 R1050 R1147 F1151	A1042-E1046 WeakPolarHBondContact O-CB 3.32Å; A1042-E1046 PolarHBondContact O-N 2.89Å; K1043-E1046 PolarHBondContact O-N 3.02Å; E1046-A1049 PolarHBondContact O-N 2.86Å; E1046-R1050 WeakPolarHBondContact O-CB 3.11Å; E1046-R1050 PolarHBondContact O-N 2.9Å; E1046-R1147 HydrophobicContact CB-CG 4.42Å; E1046-F1151 HydrophobicContact CB-CE2 4.23Å; E1046-F1151 HydrophobicContact CB-CZ 4.45Å
1047	N	92.9	Very high	91.7	Very high	5 Å²	5	41 Å²	41	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-42	175.8	-71.5	-17	0	0	0	111.8	K1043 R1044 R1050 F1051 Y1079 Y1126 L1127	K1043-N1047 WeakPolarHBondContact O-CB 3.42Å; K1043-N1047 PolarHBondContact O-N 2.8Å; R1044-N1047 PolarHBondContact O-N 3.14Å; N1047-R1050 PolarHBondContact O-N 2.95Å; N1047-F1051 VanDerWaalsContact O-CB 3.23Å; N1047-F1051 WeakPolarHBondContact O-CB 3.46Å; N1047-F1051 PolarHBondContact O-N 3.46Å; N1047-Y1079 HydrophobicContact CB-CD1 4.1Å; N1047-Y1079 HydrophobicContact CB-CE1 4.41Å; N1047-Y1079 WeakPolarHBondContact O-CE1 3.38Å; N1047-Y1126 HydrophobicContact CB-CE2 3.97Å; N1047-Y1126 WeakPolarHBondContact CB-OH 3.25Å; N1047-Y1126 PolarHBondContact ND2-OH 2.99Å; N1047-L1127 HydrophobicContact CB-CD2 4.34Å
1048	Q	92.1	Very high	91.2	Very high	28 Å²	28	41 Å²	41	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-45.8	175.9	-75.7	178.6	-34.4	0	0	111.9	R1044 L1045 F1051 V1052 Y1126 L1127 M1130	R1044-Q1048 WeakPolarHBondContact O-CG 3.02Å; R1044-Q1048 PolarHBondContact O-N 2.93Å; L1045-Q1048 PolarHBondContact O-N 2.76Å; Q1048-F1051 PolarHBondContact O-N 2.86Å; Q1048-V1052 WeakPolarHBondContact O-CB 3.28Å; Q1048-V1052 WeakPolarHBondContact O-CG2 3.25Å; Q1048-V1052 PolarHBondContact O-N 2.94Å; Q1048-Y1126 HydrophobicContact CG-CD2 4.08Å; Q1048-Y1126 HydrophobicContact CG-CE2 4.33Å; Q1048-Y1126 PolarHBondContact NE2-O 2.92Å; Q1048-Y1126 VanDerWaalsContact NE2-O 3.17Å; Q1048-L1127 HydrophobicContact CB-CD2 4.39Å; Q1048-L1127 HydrophobicContact CG-CD2 3.77Å; Q1048-M1130 HydrophobicContact CB-CE 4.41Å; Q1048-M1130 HydrophobicContact CB-SD 4.28Å; Q1048-M1130 HydrophobicContact CG-SD 3.99Å
1049	A	90.5	Very high	90.9	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-44.8	176.1	0	0	0	0	0	111.1	L1045 E1046 F1051 V1052 M1053 L1144	L1045-A1049 VanDerWaalsContact O-CB 3.26Å; L1045-A1049 WeakPolarHBondContact O-CB 3.47Å; L1045-A1049 PolarHBondContact O-N 2.78Å; E1046-A1049 PolarHBondContact O-N 2.86Å; A1049-F1051 PolarHBondContact O-N 3.37Å; A1049-V1052 PolarHBondContact O-N 3.29Å; A1049-M1053 WeakPolarHBondContact O-CB 3.41Å; A1049-M1053 WeakPolarHBondContact O-CG 3.46Å; A1049-M1053 PolarHBondContact O-N 3.1Å; A1049-L1144 HydrophobicContact CB-CD2 3.88Å
1050	R	92.2	Very high	90.5	Very high	79 Å²	79	41.3 Å²	41.3	30%	0.298	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-45.2	176.3	-166.3	178.5	77.8	-165	4.3	111.3	E1046 N1047 M1053 E1054 R1077 H1078 Y1079	E1046-R1050 WeakPolarHBondContact O-CB 3.11Å; E1046-R1050 PolarHBondContact O-N 2.9Å; N1047-R1050 PolarHBondContact O-N 2.95Å; R1050-M1053 PolarHBondContact O-N 3.24Å; R1050-E1054 HydrophobicContact CG-CG 4.28Å; R1050-E1054 WeakPolarHBondContact O-CB 3.42Å; R1050-E1054 VanDerWaalsContact O-CG 3.29Å; R1050-E1054 WeakPolarHBondContact O-CG 3.41Å; R1050-E1054 PolarHBondContact O-N 2.77Å; R1050-R1077 PolarHBondContact NH2-O 3.14Å; R1050-R1077 VanDerWaalsContact NH2-O 3.07Å; R1050-H1078 PolarHBondContact NH2-O 3.11Å; R1050-Y1079 VanDerWaalsContact C-OH 3.3Å; R1050-Y1079 HydrophobicContact CB-CE1 4.28Å; R1050-Y1079 WeakPolarHBondContact CG-OH 3.46Å; R1050-Y1079 PolarHBondContact NE-OH 3.35Å; R1050-Y1079 VanDerWaalsContact NH2-CD1 3.31Å; R1050-Y1079 VanDerWaalsContact NH2-CE2 3.29Å; R1050-Y1079 PolarHBondContact O-OH 3.27Å
1051	F	91.8	Very high	90	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-45.1	178.5	-179.5	-101.8	0	0	0	112.5	N1047 Q1048 A1049 K1055 I1060 L1074 Y1079 L1127 L1128 M1130 F1135	N1047-F1051 VanDerWaalsContact O-CB 3.23Å; N1047-F1051 WeakPolarHBondContact O-CB 3.46Å; N1047-F1051 PolarHBondContact O-N 3.46Å; Q1048-F1051 PolarHBondContact O-N 2.86Å; A1049-F1051 PolarHBondContact O-N 3.37Å; F1051-K1055 WeakPolarHBondContact O-CB 3.45Å; F1051-K1055 PolarHBondContact O-N 3.14Å; F1051-I1060 HydrophobicContact CD2-CD1 3.64Å; F1051-I1060 HydrophobicContact CE2-CD1 4.05Å; F1051-I1060 HydrophobicContact CE2-CG2 3.9Å; F1051-L1074 HydrophobicContact CD2-CD2 3.84Å; F1051-L1074 HydrophobicContact CE2-CD2 3.92Å; F1051-Y1079 VanDerWaalsContact CA-OH 3.24Å; F1051-Y1079 WeakPolarHBondContact CA-OH 3.49Å; F1051-Y1079 HydrophobicContact CB-CE1 3.9Å; F1051-Y1079 PolarHBondContact N-OH 3.25Å; F1051-Y1079 VanDerWaalsContact N-OH 3.16Å; F1051-L1127 HydrophobicContact CB-CD1 4.5Å; F1051-L1127 HydrophobicContact CB-CD2 3.88Å; F1051-L1127 HydrophobicContact CD1-CB 4.17Å; F1051-L1127 HydrophobicContact CD2-CB 4.27Å; F1051-L1127 HydrophobicContact CD2-CD1 4.42Å; F1051-L1127 HydrophobicContact CE1-CB 4.36Å; F1051-L1127 WeakPolarHBondContact CE1-O 3.26Å; F1051-L1127 HydrophobicContact CE2-CB 4.45Å; F1051-L1127 HydrophobicContact CG-CB 4.12Å; F1051-L1127 HydrophobicContact CG-CD2 4.21Å; F1051-L1128 HydrophobicContact CZ-CD2 4.32Å; F1051-M1130 HydrophobicContact CD1-SD 4.24Å; F1051-F1135 HydrophobicContact CE1-CE1 4.29Å; F1051-F1135 HydrophobicContact CE1-CZ 4.17Å
1052	V	89.4	Confident	89.6	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-46.5	176.5	169.1	0	0	0	0	110.9	Q1048 A1049 K1055 I1056 M1130 K1134 F1135 K1140 L1143	Q1048-V1052 WeakPolarHBondContact O-CB 3.28Å; Q1048-V1052 WeakPolarHBondContact O-CG2 3.25Å; Q1048-V1052 PolarHBondContact O-N 2.94Å; A1049-V1052 PolarHBondContact O-N 3.29Å; V1052-K1055 PolarHBondContact O-N 3.3Å; V1052-I1056 HydrophobicContact CG1-CD1 3.67Å; V1052-I1056 HydrophobicContact CG1-CG1 4.45Å; V1052-I1056 WeakPolarHBondContact O-CB 3.42Å; V1052-I1056 VanDerWaalsContact O-CG1 3.23Å; V1052-I1056 WeakPolarHBondContact O-CG1 3.41Å; V1052-I1056 PolarHBondContact O-N 2.97Å; V1052-M1130 HydrophobicContact CG2-CE 3.52Å; V1052-M1130 HydrophobicContact CG2-SD 4.32Å; V1052-K1134 WeakPolarHBondContact CG1-O 3.49Å; V1052-F1135 HydrophobicContact CB-CD1 4.35Å; V1052-F1135 HydrophobicContact CG1-CD1 4.06Å; V1052-F1135 HydrophobicContact CG2-CD1 4.17Å; V1052-F1135 HydrophobicContact CG2-CE1 4.09Å; V1052-K1140 HydrophobicContact CG1-CB 4.14Å; V1052-K1140 HydrophobicContact CG1-CG 4.08Å; V1052-L1143 HydrophobicContact CG2-CD1 4.08Å
1053	M	89.1	Confident	89.1	Confident	60 Å²	60	53.1 Å²	53.1	30%	0.296	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-53.1	177.1	-71	-69.3	-59.9	0	0	111.6	A1049 R1050 K1055 I1056 E1057 K1140 L1144	A1049-M1053 WeakPolarHBondContact O-CB 3.41Å; A1049-M1053 WeakPolarHBondContact O-CG 3.46Å; A1049-M1053 PolarHBondContact O-N 3.1Å; R1050-M1053 PolarHBondContact O-N 3.24Å; M1053-K1055 VanDerWaalsContact C-N 3.25Å; M1053-K1055 PolarHBondContact O-N 2.97Å; M1053-I1056 PolarHBondContact O-N 3.22Å; M1053-I1056 VanDerWaalsContact O-N 3.17Å; M1053-E1057 WeakPolarHBondContact CE-OE1 3.4Å; M1053-E1057 WeakPolarHBondContact O-CB 3.49Å; M1053-E1057 VanDerWaalsContact O-CG 3.3Å; M1053-E1057 WeakPolarHBondContact O-CG 3.28Å; M1053-E1057 PolarHBondContact O-N 2.7Å; M1053-K1140 HydrophobicContact SD-CD 3.58Å; M1053-K1140 VanDerWaalsContact SD-CD 3.58Å; M1053-K1140 HydrophobicContact SD-CG 3.84Å; M1053-L1144 HydrophobicContact SD-CD1 4.37Å
1054	E	91.5	Very high	88.7	Confident	22 Å²	22	57.2 Å²	57.2	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-28.2	-178.8	-71.1	-172.1	179.4	0	0	112.7	R1050 G1058 I1059 I1060 R1077 Y1079	R1050-E1054 HydrophobicContact CG-CG 4.28Å; R1050-E1054 WeakPolarHBondContact O-CB 3.42Å; R1050-E1054 VanDerWaalsContact O-CG 3.29Å; R1050-E1054 WeakPolarHBondContact O-CG 3.41Å; R1050-E1054 PolarHBondContact O-N 2.77Å; E1054-G1058 PolarHBondContact O-N 2.84Å; E1054-I1059 HydrophobicContact CB-CB 4.17Å; E1054-I1059 HydrophobicContact CG-CD1 4.29Å; E1054-I1059 WeakPolarHBondContact O-CA 3.48Å; E1054-I1059 WeakPolarHBondContact O-CB 3.5Å; E1054-I1059 PolarHBondContact O-N 3.31Å; E1054-I1060 HydrophobicContact CB-CD1 3.87Å; E1054-I1060 HydrophobicContact CB-CG1 3.96Å; E1054-I1060 PolarHBondContact O-N 3.25Å; E1054-I1060 VanDerWaalsContact O-N 3.14Å; E1054-I1060 WeakPolarHBondContact OE2-CD1 3.43Å; E1054-R1077 IonicContact OE1-CZ 3.73Å; E1054-R1077 IonicContact OE1-NE 3.79Å; E1054-R1077 IonicContact OE1-NH2 2.81Å; E1054-R1077 PolarHBondContact OE1-NH2 3.46Å; E1054-R1077 IonicContact OE2-CZ 3.27Å; E1054-R1077 VanDerWaalsContact OE2-CZ 3.27Å; E1054-R1077 IonicContact OE2-NE 2.72Å; E1054-R1077 PolarHBondContact OE2-NE 2.86Å; E1054-R1077 IonicContact OE2-NH2 3.05Å; E1054-R1077 PolarHBondContact OE2-NH2 2.92Å; E1054-Y1079 PolarHBondContact OE2-OH 3.37Å
1055	K	88.4	Confident	88.3	Confident	32 Å²	32	57.4 Å²	57.4	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-73.6	-42.3	173.2	-179.5	55.4	-174	165.6	0	111.8	F1051 V1052 M1053 E1057 G1058 I1060 I1062 E1063 F1135	F1051-K1055 WeakPolarHBondContact O-CB 3.45Å; F1051-K1055 PolarHBondContact O-N 3.14Å; V1052-K1055 PolarHBondContact O-N 3.3Å; M1053-K1055 VanDerWaalsContact C-N 3.25Å; M1053-K1055 PolarHBondContact O-N 2.97Å; K1055-E1057 VanDerWaalsContact C-N 3.31Å; K1055-G1058 PolarHBondContact O-N 2.8Å; K1055-G1058 VanDerWaalsContact O-N 3.15Å; K1055-I1060 WeakPolarHBondContact CD-O 3.46Å; K1055-I1060 PolarHBondContact NZ-O 3.29Å; K1055-I1062 HydrophobicContact CD-CD1 4.04Å; K1055-I1062 HydrophobicContact CD-CG1 3.99Å; K1055-I1062 VanDerWaalsContact CE-CG1 3.5Å; K1055-E1063 VanDerWaalsContact NZ-CD 3.26Å; K1055-E1063 IonicContact NZ-OE1 3.02Å; K1055-E1063 PolarHBondContact NZ-OE1 2.96Å; K1055-E1063 IonicContact NZ-OE2 2.61Å; K1055-E1063 PolarHBondContact NZ-OE2 3.33Å; K1055-F1135 HydrophobicContact CB-CD1 4.2Å; K1055-F1135 HydrophobicContact CB-CE1 3.78Å; K1055-F1135 HydrophobicContact CG-CD1 4.01Å; K1055-F1135 HydrophobicContact CG-CE1 3.6Å; K1055-F1135 HydrophobicContact CG-CZ 4.04Å
1056	I	86.9	Confident	88	Confident	86 Å²	86	64.3 Å²	64.3	44%	0.441	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-40	175.4	-68.8	166.5	0	0	0	110.5	V1052 M1053 G1058 F1135 K1140	V1052-I1056 HydrophobicContact CG1-CD1 3.67Å; V1052-I1056 HydrophobicContact CG1-CG1 4.45Å; V1052-I1056 WeakPolarHBondContact O-CB 3.42Å; V1052-I1056 VanDerWaalsContact O-CG1 3.23Å; V1052-I1056 WeakPolarHBondContact O-CG1 3.41Å; V1052-I1056 PolarHBondContact O-N 2.97Å; M1053-I1056 PolarHBondContact O-N 3.22Å; M1053-I1056 VanDerWaalsContact O-N 3.17Å; I1056-G1058 PolarHBondContact O-N 2.8Å; I1056-F1135 WeakPolarHBondContact CD1-O 3.4Å; I1056-F1135 HydrophobicContact CG1-CB 4.28Å; I1056-F1135 HydrophobicContact CG1-CD1 4.48Å; I1056-K1140 HydrophobicContact CD1-CB 4.35Å; I1056-K1140 HydrophobicContact CD1-CD 3.96Å; I1056-K1140 HydrophobicContact CD1-CG 4.12Å
1057	E	86.8	Confident	87.6	Confident	116 Å²	116	64.6 Å²	64.6	54%	0.542	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-4.8	177	-69.1	169.9	-172.2	0	0	113.4	M1053 K1055 I1059	M1053-E1057 WeakPolarHBondContact CE-OE1 3.4Å; M1053-E1057 WeakPolarHBondContact O-CB 3.49Å; M1053-E1057 VanDerWaalsContact O-CG 3.3Å; M1053-E1057 WeakPolarHBondContact O-CG 3.28Å; M1053-E1057 PolarHBondContact O-N 2.7Å; K1055-E1057 VanDerWaalsContact C-N 3.31Å; E1057-I1059 VanDerWaalsContact C-N 3.27Å; E1057-I1059 HydrophobicContact CB-CD1 4.05Å; E1057-I1059 HydrophobicContact CB-CG1 4.05Å; E1057-I1059 PolarHBondContact O-N 2.94Å; E1057-I1059 VanDerWaalsContact OE2-CD1 3.26Å; E1057-I1059 WeakPolarHBondContact OE2-CD1 3.46Å
1058	G	84.2	Confident	87.3	Confident	40 Å²	40	69.3 Å²	69.3	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	10.6	179.1	0	0	0	0	0	115	E1054 K1055 I1056	E1054-G1058 PolarHBondContact O-N 2.84Å; K1055-G1058 PolarHBondContact O-N 2.8Å; K1055-G1058 VanDerWaalsContact O-N 3.15Å; I1056-G1058 PolarHBondContact O-N 2.8Å
1059	I	87	Confident	87.1	Confident	71 Å²	71	71.3 Å²	71.3	36%	0.364	35%	0.349	S	S	.	.			trans	-71.6	-44.5	178.4	-59.8	173	0	0	0	110.3	E1054 E1057 R1077	E1054-I1059 HydrophobicContact CB-CB 4.17Å; E1054-I1059 HydrophobicContact CG-CD1 4.29Å; E1054-I1059 WeakPolarHBondContact O-CA 3.48Å; E1054-I1059 WeakPolarHBondContact O-CB 3.5Å; E1054-I1059 PolarHBondContact O-N 3.31Å; E1057-I1059 VanDerWaalsContact C-N 3.27Å; E1057-I1059 HydrophobicContact CB-CD1 4.05Å; E1057-I1059 HydrophobicContact CB-CG1 4.05Å; E1057-I1059 PolarHBondContact O-N 2.94Å; E1057-I1059 VanDerWaalsContact OE2-CD1 3.26Å; E1057-I1059 WeakPolarHBondContact OE2-CD1 3.46Å; I1059-R1077 VanDerWaalsContact CG2-CZ 3.5Å
1060	I	84.8	Confident	86.9	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	35%	0.352	C	S	.	.	S	Bend	trans	-93.5	123.1	175.4	-67.2	178.5	0	0	0	109.5	F1051 E1054 K1055 I1062 L1074 Y1079	F1051-I1060 HydrophobicContact CD2-CD1 3.64Å; F1051-I1060 HydrophobicContact CE2-CD1 4.05Å; F1051-I1060 HydrophobicContact CE2-CG2 3.9Å; E1054-I1060 HydrophobicContact CB-CD1 3.87Å; E1054-I1060 HydrophobicContact CB-CG1 3.96Å; E1054-I1060 PolarHBondContact O-N 3.25Å; E1054-I1060 VanDerWaalsContact O-N 3.14Å; E1054-I1060 WeakPolarHBondContact OE2-CD1 3.43Å; K1055-I1060 WeakPolarHBondContact CD-O 3.46Å; K1055-I1060 PolarHBondContact NZ-O 3.29Å; I1060-I1062 HydrophobicContact CG2-CG2 4.16Å; I1060-L1074 HydrophobicContact CD1-CD2 4.11Å; I1060-Y1079 HydrophobicContact CD1-CE2 3.91Å
1061	K	83.2	Confident	86.6	Confident	133 Å²	133	68.2 Å²	68.2	58%	0.578	34%	0.338	S	S	*	.			trans	-109.7	132.5	175.5	-68.2	-174.2	-179.8	-179.8	0	109.1	M1065 Q1073	K1061-M1065 HydrophobicContact CB-SD 4.37Å; K1061-M1065 VanDerWaalsContact O-SD 3.34Å; K1061-Q1073 PolarHBondContact O-OE1 2.7Å
1062	I	84.5	Confident	86.4	Confident	48 Å²	48	71.6 Å²	71.6	25%	0.246	36%	0.356	C	S	.	.			trans	-131.4	-14.9	-176.2	42.1	174.6	0	0	0	111.7	K1055 I1060 N1064 I1070	K1055-I1062 HydrophobicContact CD-CD1 4.04Å; K1055-I1062 HydrophobicContact CD-CG1 3.99Å; K1055-I1062 VanDerWaalsContact CE-CG1 3.5Å; I1060-I1062 HydrophobicContact CG2-CG2 4.16Å; I1062-N1064 PolarHBondContact O-N 3.21Å; I1062-I1070 HydrophobicContact CB-CD1 4.23Å; I1062-I1070 HydrophobicContact CG2-CD1 4Å; I1062-I1070 HydrophobicContact CG2-CG1 4.19Å; I1062-I1070 HydrophobicContact CG2-CG2 3.6Å
1063	E	83.1	Confident	86.4	Confident	128 Å²	128	74 Å²	74	60%	0.598	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	131.6	175.5	-58.1	87.5	-177.7	0	0	111	K1055 M1065	K1055-E1063 VanDerWaalsContact NZ-CD 3.26Å; K1055-E1063 IonicContact NZ-OE1 3.02Å; K1055-E1063 PolarHBondContact NZ-OE1 2.96Å; K1055-E1063 IonicContact NZ-OE2 2.61Å; K1055-E1063 PolarHBondContact NZ-OE2 3.33Å; E1063-M1065 VanDerWaalsContact C-N 3.28Å; E1063-M1065 PolarHBondContact O-N 2.87Å
1064	N	84.9	Confident	86.4	Confident	176 Å²	176	71.1 Å²	71.1	94%	0.941	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	29.1	174.8	-158.4	32.7	0	0	0	115.6	I1062	I1062-N1064 PolarHBondContact O-N 3.21Å
1065	M	85.4	Confident	86.3	Confident	69 Å²	69	73 Å²	73	34%	0.34	36%	0.363	S	S	.	.			trans	-113.2	146.3	175.4	-65.7	-178.5	70.1	0	0	111.4	K1061 E1063 V1069 I1070	K1061-M1065 HydrophobicContact CB-SD 4.37Å; K1061-M1065 VanDerWaalsContact O-SD 3.34Å; E1063-M1065 VanDerWaalsContact C-N 3.28Å; E1063-M1065 PolarHBondContact O-N 2.87Å; M1065-V1069 HydrophobicContact CE-CB 4.07Å; M1065-V1069 HydrophobicContact CE-CG1 3.37Å; M1065-I1070 HydrophobicContact CB-CD1 4.08Å; M1065-I1070 HydrophobicContact CB-CG1 3.72Å
1066	K	86.2	Confident	86.3	Confident	169 Å²	169	77.6 Å²	77.6	74%	0.735	39%	0.39	S	S	*	.			trans	-68.9	139.9	172.1	-67.8	-176.9	179.2	-180	0	109.4	K1068 V1069 I1070	K1066-K1068 PolarHBondContact O-N 2.82Å; K1066-V1069 HydrophobicContact CB-CG2 4.27Å; K1066-V1069 PolarHBondContact O-N 3.5Å; K1066-I1070 PolarHBondContact O-N 2.95Å
1067	K	85.5	Confident	86.4	Confident	88 Å²	88	77.8 Å²	77.8	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-47.1	-40.7	179.5	-171	178.6	-177.8	-179.7	0	113	V1069 I1070 V1071 L1121 D1125 L1128	K1067-V1069 PolarHBondContact O-N 3.04Å; K1067-I1070 WeakPolarHBondContact O-CB 3.45Å; K1067-I1070 PolarHBondContact O-N 2.68Å; K1067-V1071 HydrophobicContact CG-CG2 4.47Å; K1067-V1071 WeakPolarHBondContact O-CG2 3.38Å; K1067-V1071 PolarHBondContact O-N 2.97Å; K1067-L1121 HydrophobicContact CG-CD2 4.48Å; K1067-D1125 WeakPolarHBondContact CE-OD1 3.27Å; K1067-D1125 IonicContact NZ-OD1 2.76Å; K1067-D1125 PolarHBondContact NZ-OD1 2.8Å; K1067-D1125 IonicContact NZ-OD2 2.65Å; K1067-D1125 PolarHBondContact NZ-OD2 3.09Å; K1067-L1128 HydrophobicContact CG-CD1 4.27Å
1068	K	86.6	Confident	86.6	Confident	104 Å²	104	79.6 Å²	79.6	45%	0.452	39%	0.393	S	S	.	.	H	α-helix	trans	-56.5	-48.8	175.4	-176.7	170.4	179.6	164.3	0	113.2	K1066 I1070 V1071 D1072 E1117 L1121	K1066-K1068 PolarHBondContact O-N 2.82Å; K1068-I1070 VanDerWaalsContact C-N 3.3Å; K1068-I1070 PolarHBondContact O-N 3.48Å; K1068-V1071 PolarHBondContact O-N 3.14Å; K1068-D1072 PolarHBondContact O-N 3.34Å; K1068-E1117 IonicContact NZ-OE1 2.71Å; K1068-E1117 PolarHBondContact NZ-OE1 2.93Å; K1068-L1121 HydrophobicContact CB-CD2 4.19Å
1069	V	86.4	Confident	86.9	Confident	69 Å²	69	78.1 Å²	78.1	42%	0.418	38%	0.375	S	S	.	.	H	α-helix	trans	-66.6	-35.1	-179.9	-171.1	0	0	0	0	111.1	M1065 K1066 K1067 D1072 Q1073	M1065-V1069 HydrophobicContact CE-CB 4.07Å; M1065-V1069 HydrophobicContact CE-CG1 3.37Å; K1066-V1069 HydrophobicContact CB-CG2 4.27Å; K1066-V1069 PolarHBondContact O-N 3.5Å; K1067-V1069 PolarHBondContact O-N 3.04Å; V1069-D1072 PolarHBondContact O-N 3.22Å; V1069-Q1073 PolarHBondContact O-N 2.83Å
1070	I	86.3	Confident	86.9	Confident	16 Å²	16	77.8 Å²	77.8	8%	0.082	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-46.2	174.4	-59.5	170	0	0	0	110.4	I1062 M1065 K1066 K1067 K1068 Q1073 L1074 L1128	I1062-I1070 HydrophobicContact CB-CD1 4.23Å; I1062-I1070 HydrophobicContact CG2-CD1 4Å; I1062-I1070 HydrophobicContact CG2-CG1 4.19Å; I1062-I1070 HydrophobicContact CG2-CG2 3.6Å; M1065-I1070 HydrophobicContact CB-CD1 4.08Å; M1065-I1070 HydrophobicContact CB-CG1 3.72Å; K1066-I1070 PolarHBondContact O-N 2.95Å; K1067-I1070 WeakPolarHBondContact O-CB 3.45Å; K1067-I1070 PolarHBondContact O-N 2.68Å; K1068-I1070 VanDerWaalsContact C-N 3.3Å; K1068-I1070 PolarHBondContact O-N 3.48Å; I1070-Q1073 WeakPolarHBondContact O-CB 3.31Å; I1070-Q1073 PolarHBondContact O-N 3.23Å; I1070-L1074 WeakPolarHBondContact O-CG 3.37Å; I1070-L1074 PolarHBondContact O-N 3.04Å; I1070-L1128 HydrophobicContact CG2-CD1 4.41Å; I1070-L1128 HydrophobicContact CG2-CD2 3.52Å
1071	V	87.4	Confident	87	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.018	39%	0.386	C	S	.	.	H	α-helix	trans	-63.8	-41.4	177.6	170.1	0	0	0	0	111.2	K1067 K1068 Q1073 L1074 I1075 L1121 F1124 L1128	K1067-V1071 HydrophobicContact CG-CG2 4.47Å; K1067-V1071 WeakPolarHBondContact O-CG2 3.38Å; K1067-V1071 PolarHBondContact O-N 2.97Å; K1068-V1071 PolarHBondContact O-N 3.14Å; V1071-Q1073 VanDerWaalsContact C-N 3.32Å; V1071-Q1073 PolarHBondContact O-N 2.99Å; V1071-L1074 WeakPolarHBondContact O-CB 3.43Å; V1071-L1074 PolarHBondContact O-N 2.91Å; V1071-L1074 VanDerWaalsContact O-N 3.12Å; V1071-I1075 HydrophobicContact CG1-CD1 3.88Å; V1071-I1075 HydrophobicContact CG1-CG1 4.42Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.38Å; V1071-I1075 PolarHBondContact O-N 3.01Å; V1071-L1121 HydrophobicContact CB-CD2 4.13Å; V1071-L1121 HydrophobicContact CG1-CD2 4.47Å; V1071-L1121 HydrophobicContact CG2-CD2 3.96Å; V1071-F1124 HydrophobicContact CG1-CD2 3.57Å; V1071-F1124 HydrophobicContact CG1-CE2 3.87Å; V1071-F1124 HydrophobicContact CG1-CG 4.34Å; V1071-F1124 HydrophobicContact CG2-CB 4.23Å; V1071-F1124 HydrophobicContact CG2-CD2 4.4Å; V1071-L1128 HydrophobicContact CG2-CD1 3.98Å
1072	D	86.8	Confident	87.4	Confident	72 Å²	72	74.3 Å²	74.3	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-42.7	174.7	-65.9	-27.8	0	0	0	111	K1068 V1069 L1074 I1075 D1076	K1068-D1072 PolarHBondContact O-N 3.34Å; V1069-D1072 PolarHBondContact O-N 3.22Å; D1072-L1074 VanDerWaalsContact C-N 3.33Å; D1072-L1074 PolarHBondContact O-N 3.07Å; D1072-I1075 PolarHBondContact O-N 3.34Å; D1072-D1076 PolarHBondContact O-N 3.3Å
1073	Q	88.9	Confident	87.6	Confident	51 Å²	51	72.7 Å²	72.7	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-60.5	-39.6	173.6	-174.9	179.7	11.9	0	0	112.5	K1061 V1069 I1070 V1071 R1077	K1061-Q1073 PolarHBondContact O-OE1 2.7Å; V1069-Q1073 PolarHBondContact O-N 2.83Å; I1070-Q1073 WeakPolarHBondContact O-CB 3.31Å; I1070-Q1073 PolarHBondContact O-N 3.23Å; V1071-Q1073 VanDerWaalsContact C-N 3.32Å; V1071-Q1073 PolarHBondContact O-N 2.99Å; Q1073-R1077 WeakPolarHBondContact O-CB 3.38Å; Q1073-R1077 VanDerWaalsContact O-CG 3.3Å; Q1073-R1077 WeakPolarHBondContact O-CG 3.31Å; Q1073-R1077 PolarHBondContact O-N 2.79Å; Q1073-R1077 VanDerWaalsContact O-N 3.09Å
1074	L	90.1	Very high	87.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.8	-40.3	176.4	-69.6	174.5	0	0	0	111.8	F1051 I1060 I1070 V1071 D1072 R1077 H1078 Y1079 F1124 L1127 L1128	F1051-L1074 HydrophobicContact CD2-CD2 3.84Å; F1051-L1074 HydrophobicContact CE2-CD2 3.92Å; I1060-L1074 HydrophobicContact CD1-CD2 4.11Å; I1070-L1074 WeakPolarHBondContact O-CG 3.37Å; I1070-L1074 PolarHBondContact O-N 3.04Å; V1071-L1074 WeakPolarHBondContact O-CB 3.43Å; V1071-L1074 PolarHBondContact O-N 2.91Å; V1071-L1074 VanDerWaalsContact O-N 3.12Å; D1072-L1074 VanDerWaalsContact C-N 3.33Å; D1072-L1074 PolarHBondContact O-N 3.07Å; L1074-R1077 CarbonylContact O-C 3.49Å; L1074-R1077 PolarHBondContact O-N 2.77Å; L1074-H1078 PolarHBondContact O-N 2.97Å; L1074-Y1079 HydrophobicContact CB-CD2 4.19Å; L1074-Y1079 HydrophobicContact CB-CG 4.39Å; L1074-Y1079 HydrophobicContact CD2-CD2 3.57Å; L1074-Y1079 HydrophobicContact CD2-CE2 3.83Å; L1074-Y1079 HydrophobicContact CD2-CG 3.94Å; L1074-Y1079 WeakPolarHBondContact O-CB 3.46Å; L1074-Y1079 WeakPolarHBondContact O-CD2 3.04Å; L1074-Y1079 PolarHBondContact O-N 3.35Å; L1074-F1124 HydrophobicContact CB-CD1 4.08Å; L1074-F1124 HydrophobicContact CB-CE1 4.18Å; L1074-F1124 HydrophobicContact CD1-CB 4.04Å; L1074-F1124 HydrophobicContact CD1-CD1 3.94Å; L1074-F1124 HydrophobicContact CD1-CG 4.22Å; L1074-L1127 HydrophobicContact CD1-CD1 4.34Å; L1074-L1127 HydrophobicContact CD2-CD1 4.42Å; L1074-L1128 HydrophobicContact CD1-CD2 4.04Å; L1074-L1128 HydrophobicContact CD1-CG 4.37Å
1075	I	87.9	Confident	87.9	Confident	61 Å²	61	63.8 Å²	63.8	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-46.2	176.9	-68.4	167.5	0	0	0	110.4	V1071 D1072 R1077 H1078 F1124	V1071-I1075 HydrophobicContact CG1-CD1 3.88Å; V1071-I1075 HydrophobicContact CG1-CG1 4.42Å; V1071-I1075 WeakPolarHBondContact O-CG1 3.38Å; V1071-I1075 PolarHBondContact O-N 3.01Å; D1072-I1075 PolarHBondContact O-N 3.34Å; I1075-R1077 PolarHBondContact O-N 3.4Å; I1075-H1078 PolarHBondContact O-N 2.59Å; I1075-F1124 HydrophobicContact CD1-CE2 4.15Å; I1075-F1124 HydrophobicContact CD1-CZ 4.42Å; I1075-F1124 HydrophobicContact CG1-CE2 3.85Å; I1075-F1124 HydrophobicContact CG1-CZ 3.64Å
1076	D	89.1	Confident	88	Confident	129 Å²	129	65.6 Å²	65.6	69%	0.69	32%	0.316	S	S	*	.	H	α-helix	trans	-61.4	-32.1	177.3	-78.5	-8	0	0	0	112.2	D1072 H1078	D1072-D1076 PolarHBondContact O-N 3.3Å; D1076-H1078 PolarHBondContact O-N 2.66Å
1077	R	89.8	Confident	88	Confident	90 Å²	90	59.6 Å²	59.6	34%	0.34	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	13.3	174.6	-65.3	-172.1	69.7	71.4	7.4	113.9	R1050 E1054 I1059 Q1073 L1074 I1075 Y1079	R1050-R1077 PolarHBondContact NH2-O 3.14Å; R1050-R1077 VanDerWaalsContact NH2-O 3.07Å; E1054-R1077 IonicContact OE1-CZ 3.73Å; E1054-R1077 IonicContact OE1-NE 3.79Å; E1054-R1077 IonicContact OE1-NH2 2.81Å; E1054-R1077 PolarHBondContact OE1-NH2 3.46Å; E1054-R1077 IonicContact OE2-CZ 3.27Å; E1054-R1077 VanDerWaalsContact OE2-CZ 3.27Å; E1054-R1077 IonicContact OE2-NE 2.72Å; E1054-R1077 PolarHBondContact OE2-NE 2.86Å; E1054-R1077 IonicContact OE2-NH2 3.05Å; E1054-R1077 PolarHBondContact OE2-NH2 2.92Å; I1059-R1077 VanDerWaalsContact CG2-CZ 3.5Å; Q1073-R1077 WeakPolarHBondContact O-CB 3.38Å; Q1073-R1077 VanDerWaalsContact O-CG 3.3Å; Q1073-R1077 WeakPolarHBondContact O-CG 3.31Å; Q1073-R1077 PolarHBondContact O-N 2.79Å; Q1073-R1077 VanDerWaalsContact O-N 3.09Å; L1074-R1077 CarbonylContact O-C 3.49Å; L1074-R1077 PolarHBondContact O-N 2.77Å; I1075-R1077 PolarHBondContact O-N 3.4Å; R1077-Y1079 VanDerWaalsContact C-N 3.35Å; R1077-Y1079 HydrophobicContact CB-CD2 3.97Å; R1077-Y1079 HydrophobicContact CB-CE2 3.99Å; R1077-Y1079 PolarHBondContact O-N 2.97Å
1078	H	90	Very high	88	Confident	154 Å²	154	61.3 Å²	61.3	71%	0.713	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	43.4	177	-52.8	-54.8	0	0	0	113.4	R1050 L1074 I1075 D1076	R1050-H1078 PolarHBondContact NH2-O 3.11Å; L1074-H1078 PolarHBondContact O-N 2.97Å; I1075-H1078 PolarHBondContact O-N 2.59Å; D1076-H1078 PolarHBondContact O-N 2.66Å
1079	Y	90.7	Very high	87.8	Confident	8 Å²	8	60.8 Å²	60.8	3%	0.031	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-78.2	135.7	163.6	-77.8	-89.8	0	0	0	109.8	N1047 R1050 F1051 E1054 I1060 L1074 R1077 F1124 L1127	N1047-Y1079 HydrophobicContact CB-CD1 4.1Å; N1047-Y1079 HydrophobicContact CB-CE1 4.41Å; N1047-Y1079 WeakPolarHBondContact O-CE1 3.38Å; R1050-Y1079 VanDerWaalsContact C-OH 3.3Å; R1050-Y1079 HydrophobicContact CB-CE1 4.28Å; R1050-Y1079 WeakPolarHBondContact CG-OH 3.46Å; R1050-Y1079 PolarHBondContact NE-OH 3.35Å; R1050-Y1079 VanDerWaalsContact NH2-CD1 3.31Å; R1050-Y1079 VanDerWaalsContact NH2-CE2 3.29Å; R1050-Y1079 PolarHBondContact O-OH 3.27Å; F1051-Y1079 VanDerWaalsContact CA-OH 3.24Å; F1051-Y1079 WeakPolarHBondContact CA-OH 3.49Å; F1051-Y1079 HydrophobicContact CB-CE1 3.9Å; F1051-Y1079 PolarHBondContact N-OH 3.25Å; F1051-Y1079 VanDerWaalsContact N-OH 3.16Å; E1054-Y1079 PolarHBondContact OE2-OH 3.37Å; I1060-Y1079 HydrophobicContact CD1-CE2 3.91Å; L1074-Y1079 HydrophobicContact CB-CD2 4.19Å; L1074-Y1079 HydrophobicContact CB-CG 4.39Å; L1074-Y1079 HydrophobicContact CD2-CD2 3.57Å; L1074-Y1079 HydrophobicContact CD2-CE2 3.83Å; L1074-Y1079 HydrophobicContact CD2-CG 3.94Å; L1074-Y1079 WeakPolarHBondContact O-CB 3.46Å; L1074-Y1079 WeakPolarHBondContact O-CD2 3.04Å; L1074-Y1079 PolarHBondContact O-N 3.35Å; R1077-Y1079 VanDerWaalsContact C-N 3.35Å; R1077-Y1079 HydrophobicContact CB-CD2 3.97Å; R1077-Y1079 HydrophobicContact CB-CE2 3.99Å; R1077-Y1079 PolarHBondContact O-N 2.97Å; Y1079-F1124 WeakPolarHBondContact O-CE1 3.22Å; Y1079-L1127 HydrophobicContact CD1-CD1 3.52Å; Y1079-L1127 HydrophobicContact CE1-CD1 4.05Å; Y1079-L1127 HydrophobicContact CG-CD1 4.11Å
1080	D	88	Confident	87.5	Confident	65 Å²	65	62.7 Å²	62.7	35%	0.348	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-74.1	140	174.5	-68.8	-41.1	0	0	0	110.2	P1083 Y1126	D1080-P1083 HydrophobicContact CB-CG 3.85Å; D1080-Y1126 PolarHBondContact O-OH 3.13Å
1081	P	86.6	Confident	87.2	Confident	40 Å²	40	64.5 Å²	64.5	26%	0.26	31%	0.308	S	S	.	.	S	Bend	trans	-50.4	138.4	157.5	-23.6	34	0	0	0	109.2	P1083 D1123 F1124	P1081-P1083 WeakPolarHBondContact O-CD 3.44Å; P1081-D1123 HydrophobicContact CB-CB 3.93Å; P1081-F1124 HydrophobicContact CG-CZ 4.22Å
1082	D	90.5	Very high	86.4	Confident	20 Å²	20	66.8 Å²	66.8	11%	0.107	33%	0.327	C	S	.	.			trans	-34	100.5	-169.5	-176.4	-12.3	0	0	0	112.5	R1044 L1084 H1085 K1086 D1123 Y1126	R1044-D1082 IonicContact CZ-OD1 3.01Å; R1044-D1082 IonicContact CZ-OD2 2.65Å; R1044-D1082 IonicContact NH1-OD1 2.68Å; R1044-D1082 PolarHBondContact NH1-OD1 2.97Å; R1044-D1082 IonicContact NH1-OD2 2.74Å; R1044-D1082 PolarHBondContact NH1-OD2 3.25Å; R1044-D1082 IonicContact NH2-OD2 3.72Å; D1082-L1084 PolarHBondContact O-N 3.42Å; D1082-L1084 VanDerWaalsContact O-N 3.12Å; D1082-L1084 PolarHBondContact OD1-N 3.42Å; D1082-L1084 VanDerWaalsContact OD1-N 3.15Å; D1082-H1085 HydrophobicContact CB-CB 3.71Å; D1082-H1085 VanDerWaalsContact CG-CB 3.49Å; D1082-H1085 PolarHBondContact O-N 3.37Å; D1082-H1085 VanDerWaalsContact O-N 3.1Å; D1082-H1085 PolarHBondContact OD1-N 3.33Å; D1082-H1085 WeakPolarHBondContact OD2-CB 3.49Å; D1082-K1086 WeakPolarHBondContact O-CB 3.37Å; D1082-K1086 PolarHBondContact O-N 3.31Å; D1082-D1123 WeakPolarHBondContact CB-O 3.41Å; D1082-D1123 PolarHBondContact N-O 2.79Å; D1082-Y1126 VanDerWaalsContact CA-CE1 3.45Å; D1082-Y1126 HydrophobicContact CB-CD1 3.5Å; D1082-Y1126 HydrophobicContact CB-CE1 3.86Å; D1082-Y1126 HydrophobicContact CB-CG 4.11Å
1083	P	89.1	Confident	85.3	Confident	15 Å²	15	69.6 Å²	69.6	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-59.9	-32.9	-169.9	-26.7	33.4	0	0	0	112.2	K1043 D1080 P1081 W1087	K1043-P1083 HydrophobicContact CB-CB 4.03Å; K1043-P1083 HydrophobicContact CB-CG 3.99Å; D1080-P1083 HydrophobicContact CB-CG 3.85Å; P1081-P1083 WeakPolarHBondContact O-CD 3.44Å; P1083-W1087 VanDerWaalsContact O-CB 3.25Å; P1083-W1087 WeakPolarHBondContact O-CB 3.42Å; P1083-W1087 PolarHBondContact O-N 3.07Å
1084	L	87.6	Confident	83.7	Confident	25 Å²	25	73.6 Å²	73.6	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-75.5	-42.7	-179.8	-171.8	67.3	0	0	0	111.4	L1037 A1040 Q1041 D1082 K1088	L1037-L1084 HydrophobicContact CD1-CD1 3.8Å; A1040-L1084 HydrophobicContact CB-CD1 4.08Å; Q1041-L1084 HydrophobicContact CG-CD1 3.83Å; D1082-L1084 PolarHBondContact O-N 3.42Å; D1082-L1084 VanDerWaalsContact O-N 3.12Å; D1082-L1084 PolarHBondContact OD1-N 3.42Å; D1082-L1084 VanDerWaalsContact OD1-N 3.15Å; L1084-K1088 WeakPolarHBondContact O-CB 3Å; L1084-K1088 WeakPolarHBondContact O-CG 3.38Å; L1084-K1088 PolarHBondContact O-N 3.26Å
1085	H	86.7	Confident	81.8	Confident	91 Å²	91	76.9 Å²	76.9	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-48.5	175.5	-172	-94.7	0	0	0	110.7	D1082 W1087 K1088 Q1089	D1082-H1085 HydrophobicContact CB-CB 3.71Å; D1082-H1085 VanDerWaalsContact CG-CB 3.49Å; D1082-H1085 PolarHBondContact O-N 3.37Å; D1082-H1085 VanDerWaalsContact O-N 3.1Å; D1082-H1085 PolarHBondContact OD1-N 3.33Å; D1082-H1085 WeakPolarHBondContact OD2-CB 3.49Å; H1085-W1087 PolarHBondContact O-N 3.2Å; H1085-K1088 PolarHBondContact O-N 3.04Å; H1085-Q1089 PolarHBondContact O-N 2.71Å
1086	K	87.1	Confident	79.7	Confident	107 Å²	107	74.9 Å²	74.9	47%	0.465	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-43.6	178.8	-170.4	174.6	-177.4	174.9	0	112.4	D1082 Q1089 Q1090	D1082-K1086 WeakPolarHBondContact O-CB 3.37Å; D1082-K1086 PolarHBondContact O-N 3.31Å; K1086-Q1089 PolarHBondContact O-N 2.85Å; K1086-Q1090 WeakPolarHBondContact O-CG 3.48Å; K1086-Q1090 PolarHBondContact O-N 2.97Å
1087	W	87.2	Confident	77.2	Confident	44 Å²	44	74.1 Å²	74.1	17%	0.167	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-43.4	175.9	-178.9	86.4	0	0	0	112	H1033 L1037 A1040 P1083 H1085 Q1089 Q1090 Q1091	H1033-W1087 AromaticContact CE1-CH2 3.26Å; H1033-W1087 WeakPolarHBondContact CE1-CH2 3.28Å; H1033-W1087 AromaticContact CE1-CZ2 3.87Å; H1033-W1087 AromaticContact ND1-CH2 3.76Å; H1033-W1087 AromaticContact ND1-CZ2 3.9Å; H1033-W1087 AromaticContact NE2-CH2 3.54Å; L1037-W1087 HydrophobicContact CB-CH2 3.65Å; L1037-W1087 HydrophobicContact CB-CZ2 4.04Å; L1037-W1087 HydrophobicContact CB-CZ3 4.12Å; L1037-W1087 HydrophobicContact CD1-CE3 4.18Å; L1037-W1087 HydrophobicContact CD1-CH2 4.03Å; L1037-W1087 HydrophobicContact CD1-CZ3 3.62Å; L1037-W1087 HydrophobicContact CG-CH2 4.37Å; L1037-W1087 HydrophobicContact CG-CZ3 4.43Å; A1040-W1087 HydrophobicContact CB-CB 3.91Å; A1040-W1087 HydrophobicContact CB-CG 4.15Å; P1083-W1087 VanDerWaalsContact O-CB 3.25Å; P1083-W1087 WeakPolarHBondContact O-CB 3.42Å; P1083-W1087 PolarHBondContact O-N 3.07Å; H1085-W1087 PolarHBondContact O-N 3.2Å; W1087-Q1089 VanDerWaalsContact C-N 3.32Å; W1087-Q1089 PolarHBondContact O-N 3.04Å; W1087-Q1090 PolarHBondContact O-N 3.13Å; W1087-Q1091 HydrophobicContact CD2-CG 4Å; W1087-Q1091 HydrophobicContact CE3-CG 4.12Å; W1087-Q1091 HydrophobicContact CH2-CG 4.02Å; W1087-Q1091 HydrophobicContact CZ2-CG 3.85Å; W1087-Q1091 VanDerWaalsContact CZ2-NE2 3.28Å; W1087-Q1091 HydrophobicContact CZ3-CG 4.12Å; W1087-Q1091 WeakPolarHBondContact O-CG 3.19Å; W1087-Q1091 PolarHBondContact O-N 3.09Å
1088	K	84.8	Confident	74.7	Confident	123 Å²	123	77 Å²	77	54%	0.535	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-40.6	174.9	-76.8	179.9	177.5	-176.3	0	112.1	L1084 H1085 Q1091 A1092	L1084-K1088 WeakPolarHBondContact O-CB 3Å; L1084-K1088 WeakPolarHBondContact O-CG 3.38Å; L1084-K1088 PolarHBondContact O-N 3.26Å; H1085-K1088 PolarHBondContact O-N 3.04Å; K1088-Q1091 PolarHBondContact O-N 2.88Å; K1088-A1092 WeakPolarHBondContact O-CB 3.39Å; K1088-A1092 PolarHBondContact O-N 3.19Å
1089	Q	82.4	Confident	72.1	Confident	94 Å²	94	73.5 Å²	73.5	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-40.9	176.1	-122.7	-178.2	18.7	0	0	112.1	H1085 K1086 W1087 Q1091 A1092 K1093	H1085-Q1089 PolarHBondContact O-N 2.71Å; K1086-Q1089 PolarHBondContact O-N 2.85Å; W1087-Q1089 VanDerWaalsContact C-N 3.32Å; W1087-Q1089 PolarHBondContact O-N 3.04Å; Q1089-Q1091 VanDerWaalsContact C-N 3.34Å; Q1089-A1092 PolarHBondContact O-N 2.89Å; Q1089-K1093 WeakPolarHBondContact O-CB 3.39Å; Q1089-K1093 PolarHBondContact O-N 3.45Å
1090	Q	81	Confident	69.6	Low	109 Å²	109	77.6 Å²	77.6	51%	0.509	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-40.8	174.3	-77.3	179.8	-12.6	0	0	111.9	K1086 W1087 K1093 Q1094	K1086-Q1090 WeakPolarHBondContact O-CG 3.48Å; K1086-Q1090 PolarHBondContact O-N 2.97Å; W1087-Q1090 PolarHBondContact O-N 3.13Å; Q1090-K1093 PolarHBondContact O-N 3.2Å; Q1090-Q1094 PolarHBondContact O-N 2.97Å
1091	Q	79.1	Confident	66.8	Low	54 Å²	54	79.5 Å²	79.5	25%	0.252	41%	0.413	S	S	.	.	H	α-helix	trans	-67.1	-39.6	175.8	-67.5	-70.7	47.4	0	0	112.2	H1033 W1087 K1088 Q1089 Q1094 A1095	H1033-Q1091 PolarHBondContact ND1-NE2 2.97Å; H1033-Q1091 VanDerWaalsContact ND1-NE2 3.14Å; W1087-Q1091 HydrophobicContact CD2-CG 4Å; W1087-Q1091 HydrophobicContact CE3-CG 4.12Å; W1087-Q1091 HydrophobicContact CH2-CG 4.02Å; W1087-Q1091 HydrophobicContact CZ2-CG 3.85Å; W1087-Q1091 VanDerWaalsContact CZ2-NE2 3.28Å; W1087-Q1091 HydrophobicContact CZ3-CG 4.12Å; W1087-Q1091 WeakPolarHBondContact O-CG 3.19Å; W1087-Q1091 PolarHBondContact O-N 3.09Å; K1088-Q1091 PolarHBondContact O-N 2.88Å; Q1089-Q1091 VanDerWaalsContact C-N 3.34Å; Q1091-Q1094 PolarHBondContact O-N 3.34Å; Q1091-A1095 WeakPolarHBondContact O-CB 3.33Å; Q1091-A1095 PolarHBondContact O-N 2.89Å
1092	A	70.8	Confident	64.2	Low	51 Å²	51	79.5 Å²	79.5	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-62.1	-44.8	173.8	0	0	0	0	0	111.2	K1088 Q1089 Q1094 A1095 S1096	K1088-A1092 WeakPolarHBondContact O-CB 3.39Å; K1088-A1092 PolarHBondContact O-N 3.19Å; Q1089-A1092 PolarHBondContact O-N 2.89Å; A1092-Q1094 PolarHBondContact O-N 3.17Å; A1092-A1095 PolarHBondContact O-N 2.92Å; A1092-S1096 WeakPolarHBondContact O-CB 3.46Å; A1092-S1096 PolarHBondContact O-N 3.3Å; A1092-S1096 PolarHBondContact O-OG 3.43Å; A1092-S1096 VanDerWaalsContact O-OG 3.11Å
1093	K	64.7	Low	61.3	Low	130 Å²	130	83.7 Å²	83.7	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-62.5	-38.6	174.8	-82.2	-175.9	175.4	-179.3	0	113.5	Q1089 Q1090 S1096 C1097	Q1089-K1093 WeakPolarHBondContact O-CB 3.39Å; Q1089-K1093 PolarHBondContact O-N 3.45Å; Q1090-K1093 PolarHBondContact O-N 3.2Å; K1093-S1096 VanDerWaalsContact CA-OG 3.31Å; K1093-S1096 WeakPolarHBondContact CA-OG 3.32Å; K1093-S1096 PolarHBondContact O-N 2.94Å; K1093-S1096 PolarHBondContact O-OG 2.97Å; K1093-S1096 VanDerWaalsContact O-OG 3.13Å; K1093-C1097 WeakPolarHBondContact O-CB 3.31Å; K1093-C1097 PolarHBondContact O-N 3.24Å; K1093-C1097 PolarHBondContact O-SG 3.47Å
1094	Q	54.4	Low	58.5	Low	135 Å²	135	89.3 Å²	89.3	63%	0.631	47%	0.473	S	S	*	.	H	α-helix	trans	-69.7	-38.1	174.8	-89.5	-177.2	-24	0	0	111.8	Q1090 Q1091 A1092 S1096	Q1090-Q1094 PolarHBondContact O-N 2.97Å; Q1091-Q1094 PolarHBondContact O-N 3.34Å; A1092-Q1094 PolarHBondContact O-N 3.17Å; Q1094-S1096 VanDerWaalsContact C-N 3.3Å; Q1094-S1096 PolarHBondContact O-N 2.81Å
1095	A	51	Low	55.7	Low	70 Å²	70	91.2 Å²	91.2	58%	0.579	49%	0.492	S	S	*	.	H	α-helix	trans	-67.4	-30.7	174.2	0	0	0	0	0	112.4	Q1091 A1092	Q1091-A1095 WeakPolarHBondContact O-CB 3.33Å; Q1091-A1095 PolarHBondContact O-N 2.89Å; A1092-A1095 PolarHBondContact O-N 2.92Å
1096	S	43.1	Very low	52.8	Low	19 Å²	19	96.5 Å²	96.5	13%	0.133	52%	0.517	C	S	.	.	H	α-helix	trans	-88.2	-22.9	179.6	67	0	0	0	0	114.5	A1092 K1093 Q1094 E1098 T1099 E1101	A1092-S1096 WeakPolarHBondContact O-CB 3.46Å; A1092-S1096 PolarHBondContact O-N 3.3Å; A1092-S1096 PolarHBondContact O-OG 3.43Å; A1092-S1096 VanDerWaalsContact O-OG 3.11Å; K1093-S1096 VanDerWaalsContact CA-OG 3.31Å; K1093-S1096 WeakPolarHBondContact CA-OG 3.32Å; K1093-S1096 PolarHBondContact O-N 2.94Å; K1093-S1096 PolarHBondContact O-OG 2.97Å; K1093-S1096 VanDerWaalsContact O-OG 3.13Å; Q1094-S1096 VanDerWaalsContact C-N 3.3Å; Q1094-S1096 PolarHBondContact O-N 2.81Å; S1096-E1098 PolarHBondContact O-N 3Å; S1096-T1099 WeakPolarHBondContact CA-O 3.02Å; S1096-T1099 CarbonylContact O-C 3.54Å; S1096-T1099 PolarHBondContact O-N 3.36Å; S1096-T1099 VanDerWaalsContact O-N 3.14Å; S1096-T1099 VanDerWaalsContact O-O 3.1Å; S1096-E1101 VanDerWaalsContact CB-CG 3.44Å; S1096-E1101 WeakPolarHBondContact CB-OE1 3.21Å; S1096-E1101 PolarHBondContact OG-OE1 3.23Å
1097	C	35.7	Very low	50.1	Low	113 Å²	113	100 Å²	100	76%	0.764	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.2	171	-75.1	0	0	0	0	113.5	K1093	K1093-C1097 WeakPolarHBondContact O-CB 3.31Å; K1093-C1097 PolarHBondContact O-N 3.24Å; K1093-C1097 PolarHBondContact O-SG 3.47Å
1098	E	38.3	Very low	47.2	Very low	149 Å²	149	105.5 Å²	105.5	70%	0.696	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-9.4	168.9	-74.4	-171.7	169.8	0	0	113.5	S1096	S1096-E1098 PolarHBondContact O-N 3Å
1099	T	35.4	Very low	44.4	Very low	81 Å²	81	104 Å²	104	50%	0.497	57%	0.573	S	S	.	*	S	Bend	trans	-177.2	130.8	163.7	5.3	0	0	0	0	110.5	S1096	S1096-T1099 WeakPolarHBondContact CA-O 3.02Å; S1096-T1099 CarbonylContact O-C 3.54Å; S1096-T1099 PolarHBondContact O-N 3.36Å; S1096-T1099 VanDerWaalsContact O-N 3.14Å; S1096-T1099 VanDerWaalsContact O-O 3.1Å
1100	D	38	Very low	41.8	Very low	95 Å²	95	108.2 Å²	108.2	51%	0.508	59%	0.592	S	S	.	*			trans	-51.6	134.6	-161.6	-56.4	-45.6	0	0	0	116.8	K597 A1102	K597-D1100 IonicContact NZ-OD2 2.74Å; K597-D1100 PolarHBondContact NZ-OD2 3.37Å; K597-D1100 VanDerWaalsContact NZ-OD2 3.15Å; D1100-A1102 PolarHBondContact O-N 3Å
1101	E	29	Very low	39.2	Very low	104 Å²	104	109 Å²	109	49%	0.486	60%	0.6	S	S	.	*			trans	-52.3	123	170.7	-101.2	156.8	-145.5	0	0	113.3	S1096	S1096-E1101 VanDerWaalsContact CB-CG 3.44Å; S1096-E1101 WeakPolarHBondContact CB-OE1 3.21Å; S1096-E1101 PolarHBondContact OG-OE1 3.23Å
1102	A	31.3	Very low	36.9	Very low	41 Å²	41	113.4 Å²	113.4	34%	0.339	62%	0.624	S	S	.	*			trans	-133.7	-17	162.9	0	0	0	0	0	115.3	N831 D1100 T1104	N831-A1102 HydrophobicContact CB-CB 4.43Å; D1100-A1102 PolarHBondContact O-N 3Å; A1102-T1104 PolarHBondContact O-N 2.83Å
1103	D	30.4	Very low	35.3	Very low	107 Å²	107	116.2 Å²	116.2	57%	0.572	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	22.2	-169	-85.2	-15.4	0	0	0	116.2
1104	T	29.6	Very low	33.9	Very low	133 Å²	133	113.3 Å²	113.3	82%	0.816	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	8.9	176	17.4	0	0	0	0	117.1	A1102	A1102-T1104 PolarHBondContact O-N 2.83Å
1105	A	29.5	Very low	33.6	Very low	66 Å²	66	111.1 Å²	111.1	55%	0.545	64%	0.64	S	S	.	*			trans	-103.5	-0.7	-173.4	0	0	0	0	0	116.4	E1107	A1105-E1107 VanDerWaalsContact C-N 3.29Å; A1105-E1107 PolarHBondContact O-N 3.23Å
1106	E	26.7	Very low	33.8	Very low	201 Å²	201	112.8 Å²	112.8	94%	0.939	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	1.5	-173.4	-81.1	-164.5	159.7	0	0	116.1
1107	E	29.5	Very low	34.4	Very low	182 Å²	182	116.8 Å²	116.8	85%	0.85	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-4.5	176.2	-80	-170.1	164.1	0	0	116.8	A1105	A1105-E1107 VanDerWaalsContact C-N 3.29Å; A1105-E1107 PolarHBondContact O-N 3.23Å
1108	N	25.6	Very low	35.5	Very low	159 Å²	159	114 Å²	114	85%	0.85	65%	0.646	S	S	*	*			trans	-155	74.1	-179.2	-86.6	-38.9	0	0	0	114.2
1109	S	26	Very low	36.6	Very low	91 Å²	91	109.8 Å²	109.8	64%	0.636	63%	0.63	S	S	*	*			trans	-139.8	53.2	169.6	49.9	0	0	0	0	114.2
1110	E	27.6	Very low	38.3	Very low	182 Å²	182	114 Å²	114	85%	0.85	64%	0.637	S	S	*	*	S	Bend	trans	-117.1	106.4	149.7	-72.2	-173	168.4	0	0	107.7
1111	N	27.4	Very low	40	Very low	126 Å²	126	111.6 Å²	111.6	67%	0.674	62%	0.624	S	S	*	*			trans	120	74	169.6	-64	-46	0	0	0	117	A1113	N1111-A1113 VanDerWaalsContact C-N 3.32Å; N1111-A1113 PolarHBondContact O-N 2.85Å
1112	I	30.9	Very low	42.5	Very low	147 Å²	147	109.2 Å²	109.2	75%	0.754	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-6.5	176.5	-66.8	173.8	0	0	0	113.7
1113	A	36.1	Very low	45.1	Very low	109 Å²	109	109.2 Å²	109.2	90%	0.901	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-14.4	179.3	0	0	0	0	0	114.9	N1111	N1111-A1113 VanDerWaalsContact C-N 3.32Å; N1111-A1113 PolarHBondContact O-N 2.85Å
1114	A	36.3	Very low	47.9	Very low	69 Å²	69	104.3 Å²	104.3	57%	0.57	59%	0.586	S	S	*	*	S	Bend	trans	-99.8	-3	-176	0	0	0	0	0	114.1
1115	D	47.7	Very low	50.7	Low	89 Å²	89	100.4 Å²	100.4	48%	0.476	56%	0.561	S	S	.	*	H	α-helix	trans	-90.7	-9.5	-154.8	-134.3	6.4	0	0	0	115.7	S1118 T1119	D1115-S1118 VanDerWaalsContact CA-OG 3.31Å; D1115-S1118 WeakPolarHBondContact CA-OG 3.35Å; D1115-S1118 PolarHBondContact O-OG 2.71Å; D1115-S1118 PolarHBondContact OD1-OG 3.24Å; D1115-T1119 VanDerWaalsContact O-CB 3.27Å; D1115-T1119 WeakPolarHBondContact O-CB 3.3Å; D1115-T1119 PolarHBondContact O-N 2.98Å; D1115-T1119 PolarHBondContact O-OG1 3.1Å
1116	S	55.2	Low	53.6	Low	105 Å²	105	97.7 Å²	97.7	73%	0.734	54%	0.537	S	S	*	.	H	α-helix	trans	-74	-32.3	-178	68.9	0	0	0	0	113.4	R1120	S1116-R1120 WeakPolarHBondContact O-CB 3.27Å; S1116-R1120 PolarHBondContact O-N 2.74Å
1117	E	55.7	Low	56.7	Low	104 Å²	104	88.2 Å²	88.2	49%	0.486	49%	0.492	S	S	.	.	H	α-helix	trans	-84.8	-37.1	-178.7	-156.9	174.3	-167.7	0	0	111.6	K1068 R1120 L1121	K1068-E1117 IonicContact NZ-OE1 2.71Å; K1068-E1117 PolarHBondContact NZ-OE1 2.93Å; E1117-R1120 PolarHBondContact O-N 2.7Å; E1117-L1121 VanDerWaalsContact O-CG 3.31Å; E1117-L1121 WeakPolarHBondContact O-CG 3.48Å; E1117-L1121 PolarHBondContact O-N 3.15Å; E1117-L1121 VanDerWaalsContact O-N 3.15Å
1118	S	58.6	Low	59.4	Low	55 Å²	55	81.8 Å²	81.8	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-48.7	172.3	52.7	0	0	0	0	111.5	D1115 R1120 L1121 S1122	D1115-S1118 VanDerWaalsContact CA-OG 3.31Å; D1115-S1118 WeakPolarHBondContact CA-OG 3.35Å; D1115-S1118 PolarHBondContact O-OG 2.71Å; D1115-S1118 PolarHBondContact OD1-OG 3.24Å; S1118-R1120 VanDerWaalsContact C-N 3.33Å; S1118-R1120 PolarHBondContact O-N 3.14Å; S1118-L1121 PolarHBondContact O-N 2.95Å; S1118-S1122 PolarHBondContact O-N 3.26Å; S1118-S1122 PolarHBondContact O-OG 3.42Å
1119	T	61.5	Low	62.3	Low	59 Å²	59	78.7 Å²	78.7	36%	0.362	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-43.1	-180	-52	0	0	0	0	111.1	D1115 L1121 S1122 D1123	D1115-T1119 VanDerWaalsContact O-CB 3.27Å; D1115-T1119 WeakPolarHBondContact O-CB 3.3Å; D1115-T1119 PolarHBondContact O-N 2.98Å; D1115-T1119 PolarHBondContact O-OG1 3.1Å; T1119-L1121 VanDerWaalsContact C-N 3.29Å; T1119-L1121 PolarHBondContact O-N 3.41Å; T1119-S1122 WeakPolarHBondContact CA-OG 3.23Å; T1119-S1122 PolarHBondContact O-N 2.8Å; T1119-S1122 PolarHBondContact O-OG 2.82Å; T1119-D1123 PolarHBondContact O-N 3.18Å; T1119-D1123 VanDerWaalsContact O-N 3.16Å
1120	R	70.7	Confident	65.2	Low	171 Å²	171	75.7 Å²	75.7	65%	0.645	43%	0.431	S	S	*	.	H	α-helix	trans	-64.4	-31.5	179.2	-156.5	178.3	-169.2	-177.6	1.4	112.9	S1116 E1117 S1118	S1116-R1120 WeakPolarHBondContact O-CB 3.27Å; S1116-R1120 PolarHBondContact O-N 2.74Å; E1117-R1120 PolarHBondContact O-N 2.7Å; S1118-R1120 VanDerWaalsContact C-N 3.33Å; S1118-R1120 PolarHBondContact O-N 3.14Å
1121	L	75.4	Confident	68	Low	43 Å²	43	70.1 Å²	70.1	23%	0.225	42%	0.416	C	S	.	.	H	α-helix	trans	-77.6	-35.7	174.7	-70.4	165.3	0	0	0	112.4	K1067 K1068 V1071 E1117 S1118 T1119 D1123	K1067-L1121 HydrophobicContact CG-CD2 4.48Å; K1068-L1121 HydrophobicContact CB-CD2 4.19Å; V1071-L1121 HydrophobicContact CB-CD2 4.13Å; V1071-L1121 HydrophobicContact CG1-CD2 4.47Å; V1071-L1121 HydrophobicContact CG2-CD2 3.96Å; E1117-L1121 VanDerWaalsContact O-CG 3.31Å; E1117-L1121 WeakPolarHBondContact O-CG 3.48Å; E1117-L1121 PolarHBondContact O-N 3.15Å; E1117-L1121 VanDerWaalsContact O-N 3.15Å; S1118-L1121 PolarHBondContact O-N 2.95Å; T1119-L1121 VanDerWaalsContact C-N 3.29Å; T1119-L1121 PolarHBondContact O-N 3.41Å; L1121-D1123 VanDerWaalsContact C-N 3.3Å; L1121-D1123 PolarHBondContact O-N 3.19Å
1122	S	81.4	Confident	70.6	Confident	55 Å²	55	70 Å²	70	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-71.1	-24.1	179.1	56.5	0	0	0	0	113.7	S1118 T1119 F1124 D1125	S1118-S1122 PolarHBondContact O-N 3.26Å; S1118-S1122 PolarHBondContact O-OG 3.42Å; T1119-S1122 WeakPolarHBondContact CA-OG 3.23Å; T1119-S1122 PolarHBondContact O-N 2.8Å; T1119-S1122 PolarHBondContact O-OG 2.82Å; S1122-F1124 PolarHBondContact O-N 3.45Å; S1122-D1125 WeakPolarHBondContact CA-OD2 3.31Å; S1122-D1125 WeakPolarHBondContact O-CB 3.42Å; S1122-D1125 PolarHBondContact O-N 3.41Å
1123	D	85.4	Confident	73.2	Confident	40 Å²	40	69.1 Å²	69.1	21%	0.214	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21	179.8	-84.1	-16.1	0	0	0	114.3	P1081 D1082 T1119 L1121	P1081-D1123 HydrophobicContact CB-CB 3.93Å; D1082-D1123 WeakPolarHBondContact CB-O 3.41Å; D1082-D1123 PolarHBondContact N-O 2.79Å; T1119-D1123 PolarHBondContact O-N 3.18Å; T1119-D1123 VanDerWaalsContact O-N 3.16Å; L1121-D1123 VanDerWaalsContact C-N 3.3Å; L1121-D1123 PolarHBondContact O-N 3.19Å
1124	F	89.6	Confident	75.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.018	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	4	-179.7	-67.6	-87.2	0	0	0	113.6	V1071 L1074 I1075 Y1079 P1081 S1122 Y1126 L1127 L1128	V1071-F1124 HydrophobicContact CG1-CD2 3.57Å; V1071-F1124 HydrophobicContact CG1-CE2 3.87Å; V1071-F1124 HydrophobicContact CG1-CG 4.34Å; V1071-F1124 HydrophobicContact CG2-CB 4.23Å; V1071-F1124 HydrophobicContact CG2-CD2 4.4Å; L1074-F1124 HydrophobicContact CB-CD1 4.08Å; L1074-F1124 HydrophobicContact CB-CE1 4.18Å; L1074-F1124 HydrophobicContact CD1-CB 4.04Å; L1074-F1124 HydrophobicContact CD1-CD1 3.94Å; L1074-F1124 HydrophobicContact CD1-CG 4.22Å; I1075-F1124 HydrophobicContact CD1-CE2 4.15Å; I1075-F1124 HydrophobicContact CD1-CZ 4.42Å; I1075-F1124 HydrophobicContact CG1-CE2 3.85Å; I1075-F1124 HydrophobicContact CG1-CZ 3.64Å; Y1079-F1124 WeakPolarHBondContact O-CE1 3.22Å; P1081-F1124 HydrophobicContact CG-CZ 4.22Å; S1122-F1124 PolarHBondContact O-N 3.45Å; F1124-Y1126 PolarHBondContact O-N 2.87Å; F1124-Y1126 VanDerWaalsContact O-N 3.14Å; F1124-L1127 PolarHBondContact O-N 3.11Å; F1124-L1128 HydrophobicContact CB-CD1 4.47Å; F1124-L1128 PolarHBondContact O-N 3.07Å
1125	D	88.3	Confident	77.8	Confident	52 Å²	52	65.8 Å²	65.8	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-27.5	-177.1	-79	-20.7	0	0	0	112.5	K1067 S1122 L1127 L1128 S1129	K1067-D1125 WeakPolarHBondContact CE-OD1 3.27Å; K1067-D1125 IonicContact NZ-OD1 2.76Å; K1067-D1125 PolarHBondContact NZ-OD1 2.8Å; K1067-D1125 IonicContact NZ-OD2 2.65Å; K1067-D1125 PolarHBondContact NZ-OD2 3.09Å; S1122-D1125 WeakPolarHBondContact CA-OD2 3.31Å; S1122-D1125 WeakPolarHBondContact O-CB 3.42Å; S1122-D1125 PolarHBondContact O-N 3.41Å; D1125-L1127 PolarHBondContact O-N 3.28Å; D1125-L1128 PolarHBondContact O-N 2.96Å; D1125-L1128 VanDerWaalsContact O-N 3.16Å; D1125-S1129 VanDerWaalsContact O-CB 3.24Å; D1125-S1129 WeakPolarHBondContact O-CB 3.49Å; D1125-S1129 PolarHBondContact O-N 3.39Å; D1125-S1129 PolarHBondContact O-OG 2.79Å
1126	Y	90.7	Very high	79.7	Confident	9 Å²	9	63.6 Å²	63.6	4%	0.035	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-17.1	175.5	79.8	-77.7	0	0	0	115.5	R1044 N1047 Q1048 D1080 D1082 F1124	R1044-Y1126 HydrophobicContact CG-CD2 3.68Å; R1044-Y1126 HydrophobicContact CG-CE2 3.91Å; R1044-Y1126 VanDerWaalsContact NH2-CB 3.35Å; N1047-Y1126 HydrophobicContact CB-CE2 3.97Å; N1047-Y1126 WeakPolarHBondContact CB-OH 3.25Å; N1047-Y1126 PolarHBondContact ND2-OH 2.99Å; Q1048-Y1126 HydrophobicContact CG-CD2 4.08Å; Q1048-Y1126 HydrophobicContact CG-CE2 4.33Å; Q1048-Y1126 PolarHBondContact NE2-O 2.92Å; Q1048-Y1126 VanDerWaalsContact NE2-O 3.17Å; D1080-Y1126 PolarHBondContact O-OH 3.13Å; D1082-Y1126 VanDerWaalsContact CA-CE1 3.45Å; D1082-Y1126 HydrophobicContact CB-CD1 3.5Å; D1082-Y1126 HydrophobicContact CB-CE1 3.86Å; D1082-Y1126 HydrophobicContact CB-CG 4.11Å; F1124-Y1126 PolarHBondContact O-N 2.87Å; F1124-Y1126 VanDerWaalsContact O-N 3.14Å
1127	L	90.2	Very high	81.2	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-100.1	-44.2	172.2	-59.1	176.3	0	0	0	110.8	N1047 Q1048 F1051 L1074 Y1079 F1124 D1125 M1130	N1047-L1127 HydrophobicContact CB-CD2 4.34Å; Q1048-L1127 HydrophobicContact CB-CD2 4.39Å; Q1048-L1127 HydrophobicContact CG-CD2 3.77Å; F1051-L1127 HydrophobicContact CB-CD1 4.5Å; F1051-L1127 HydrophobicContact CB-CD2 3.88Å; F1051-L1127 HydrophobicContact CD1-CB 4.17Å; F1051-L1127 HydrophobicContact CD2-CB 4.27Å; F1051-L1127 HydrophobicContact CD2-CD1 4.42Å; F1051-L1127 HydrophobicContact CE1-CB 4.36Å; F1051-L1127 WeakPolarHBondContact CE1-O 3.26Å; F1051-L1127 HydrophobicContact CE2-CB 4.45Å; F1051-L1127 HydrophobicContact CG-CB 4.12Å; F1051-L1127 HydrophobicContact CG-CD2 4.21Å; L1074-L1127 HydrophobicContact CD1-CD1 4.34Å; L1074-L1127 HydrophobicContact CD2-CD1 4.42Å; Y1079-L1127 HydrophobicContact CD1-CD1 3.52Å; Y1079-L1127 HydrophobicContact CE1-CD1 4.05Å; Y1079-L1127 HydrophobicContact CG-CD1 4.11Å; F1124-L1127 PolarHBondContact O-N 3.11Å; D1125-L1127 PolarHBondContact O-N 3.28Å; L1127-M1130 WeakPolarHBondContact O-CB 3.27Å; L1127-M1130 VanDerWaalsContact O-CG 3.3Å; L1127-M1130 WeakPolarHBondContact O-CG 3.49Å; L1127-M1130 PolarHBondContact O-N 3.32Å
1128	L	87.3	Confident	82.7	Confident	48 Å²	48	68.2 Å²	68.2	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-76	-25.3	-173	-59.7	179.7	0	0	0	113.8	F1051 K1067 I1070 V1071 L1074 F1124 D1125 M1130	F1051-L1128 HydrophobicContact CZ-CD2 4.32Å; K1067-L1128 HydrophobicContact CG-CD1 4.27Å; I1070-L1128 HydrophobicContact CG2-CD1 4.41Å; I1070-L1128 HydrophobicContact CG2-CD2 3.52Å; V1071-L1128 HydrophobicContact CG2-CD1 3.98Å; L1074-L1128 HydrophobicContact CD1-CD2 4.04Å; L1074-L1128 HydrophobicContact CD1-CG 4.37Å; F1124-L1128 HydrophobicContact CB-CD1 4.47Å; F1124-L1128 PolarHBondContact O-N 3.07Å; D1125-L1128 PolarHBondContact O-N 2.96Å; D1125-L1128 VanDerWaalsContact O-N 3.16Å; L1128-M1130 VanDerWaalsContact C-N 3.3Å
1129	S	87	Confident	84.2	Confident	94 Å²	94	67.3 Å²	67.3	66%	0.657	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	11.9	178.4	80	0	0	0	0	113.1	D1125	D1125-S1129 VanDerWaalsContact O-CB 3.24Å; D1125-S1129 WeakPolarHBondContact O-CB 3.49Å; D1125-S1129 PolarHBondContact O-N 3.39Å; D1125-S1129 PolarHBondContact O-OG 2.79Å
1130	M	85.7	Confident	85.5	Confident	28 Å²	28	66.4 Å²	66.4	14%	0.138	35%	0.35	C	S	.	.			trans	-68.4	135	178.4	-70.3	-177	67.2	0	0	110.6	Q1048 F1051 V1052 L1127 L1128 K1134 L1143	Q1048-M1130 HydrophobicContact CB-CE 4.41Å; Q1048-M1130 HydrophobicContact CB-SD 4.28Å; Q1048-M1130 HydrophobicContact CG-SD 3.99Å; F1051-M1130 HydrophobicContact CD1-SD 4.24Å; V1052-M1130 HydrophobicContact CG2-CE 3.52Å; V1052-M1130 HydrophobicContact CG2-SD 4.32Å; L1127-M1130 WeakPolarHBondContact O-CB 3.27Å; L1127-M1130 VanDerWaalsContact O-CG 3.3Å; L1127-M1130 WeakPolarHBondContact O-CG 3.49Å; L1127-M1130 PolarHBondContact O-N 3.32Å; L1128-M1130 VanDerWaalsContact C-N 3.3Å; M1130-K1134 HydrophobicContact CE-CB 3.8Å; M1130-K1134 HydrophobicContact CE-CG 3.98Å; M1130-L1143 HydrophobicContact CE-CD1 3.98Å
1131	A	86.3	Confident	86.5	Confident	65 Å²	65	61.9 Å²	61.9	54%	0.537	34%	0.339	S	S	.	.			trans	-63.1	141.5	176.4	0	0	0	0	0	110.6	L1133 K1134	A1131-L1133 PolarHBondContact O-N 3.06Å; A1131-K1134 VanDerWaalsContact O-CB 3.27Å; A1131-K1134 WeakPolarHBondContact O-CB 3.49Å; A1131-K1134 PolarHBondContact O-N 3.14Å
1132	V	82.7	Confident	87.3	Confident	123 Å²	123	64.7 Å²	64.7	75%	0.745	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31	-179.7	-179.7	0	0	0	0	112.3	K1134 F1135	V1132-K1134 PolarHBondContact O-N 3.37Å; V1132-K1134 VanDerWaalsContact O-N 3.13Å; V1132-F1135 HydrophobicContact CG1-CD2 4.45Å; V1132-F1135 VanDerWaalsContact O-CD2 3.23Å; V1132-F1135 WeakPolarHBondContact O-CD2 3.3Å; V1132-F1135 PolarHBondContact O-N 3.18Å; V1132-F1135 VanDerWaalsContact O-N 3.13Å
1133	L	85.4	Confident	87.7	Confident	129 Å²	129	62.3 Å²	62.3	68%	0.675	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-57.5	-26.5	175.7	-156.1	87.5	0	0	0	113.2	A1131 F1135 S1136	A1131-L1133 PolarHBondContact O-N 3.06Å; L1133-F1135 PolarHBondContact O-N 3.38Å; L1133-F1135 VanDerWaalsContact O-N 3.17Å; L1133-S1136 WeakPolarHBondContact O-CB 3.17Å; L1133-S1136 PolarHBondContact O-N 3.27Å; L1133-S1136 VanDerWaalsContact O-N 3.09Å; L1133-S1136 PolarHBondContact O-OG 3.43Å
1134	K	83.9	Confident	88	Confident	57 Å²	57	62.5 Å²	62.5	25%	0.248	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-66.5	-12.4	179.2	-71.7	-64.8	-166.4	175.6	0	114.1	V1052 M1130 A1131 V1132 S1136 E1139 L1143	V1052-K1134 WeakPolarHBondContact CG1-O 3.49Å; M1130-K1134 HydrophobicContact CE-CB 3.8Å; M1130-K1134 HydrophobicContact CE-CG 3.98Å; A1131-K1134 VanDerWaalsContact O-CB 3.27Å; A1131-K1134 WeakPolarHBondContact O-CB 3.49Å; A1131-K1134 PolarHBondContact O-N 3.14Å; V1132-K1134 PolarHBondContact O-N 3.37Å; V1132-K1134 VanDerWaalsContact O-N 3.13Å; K1134-S1136 VanDerWaalsContact C-N 3.35Å; K1134-E1139 HydrophobicContact CD-CB 4.18Å; K1134-E1139 HydrophobicContact CD-CG 4.4Å; K1134-E1139 WeakPolarHBondContact CD-OE2 3.12Å; K1134-E1139 WeakPolarHBondContact CE-OE2 3.36Å; K1134-E1139 IonicContact NZ-OE2 2.65Å; K1134-E1139 PolarHBondContact NZ-OE2 3.28Å; K1134-L1143 HydrophobicContact CD-CD1 4.21Å
1135	F	85.2	Confident	88.2	Confident	50 Å²	50	65 Å²	65	22%	0.219	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-88.6	1.7	174.1	-54.2	-69	0	0	0	113.3	F1051 V1052 K1055 I1056 V1132 L1133	F1051-F1135 HydrophobicContact CE1-CE1 4.29Å; F1051-F1135 HydrophobicContact CE1-CZ 4.17Å; V1052-F1135 HydrophobicContact CB-CD1 4.35Å; V1052-F1135 HydrophobicContact CG1-CD1 4.06Å; V1052-F1135 HydrophobicContact CG2-CD1 4.17Å; V1052-F1135 HydrophobicContact CG2-CE1 4.09Å; K1055-F1135 HydrophobicContact CB-CD1 4.2Å; K1055-F1135 HydrophobicContact CB-CE1 3.78Å; K1055-F1135 HydrophobicContact CG-CD1 4.01Å; K1055-F1135 HydrophobicContact CG-CE1 3.6Å; K1055-F1135 HydrophobicContact CG-CZ 4.04Å; I1056-F1135 WeakPolarHBondContact CD1-O 3.4Å; I1056-F1135 HydrophobicContact CG1-CB 4.28Å; I1056-F1135 HydrophobicContact CG1-CD1 4.48Å; V1132-F1135 HydrophobicContact CG1-CD2 4.45Å; V1132-F1135 VanDerWaalsContact O-CD2 3.23Å; V1132-F1135 WeakPolarHBondContact O-CD2 3.3Å; V1132-F1135 PolarHBondContact O-N 3.18Å; V1132-F1135 VanDerWaalsContact O-N 3.13Å; L1133-F1135 PolarHBondContact O-N 3.38Å; L1133-F1135 VanDerWaalsContact O-N 3.17Å
1136	S	87.8	Confident	88.4	Confident	43 Å²	43	65.9 Å²	65.9	30%	0.301	36%	0.357	S	S	.	.	S	Bend	trans	-69.5	156.9	171.6	75.7	0	0	0	0	111.4	L1133 K1134 E1138 E1139 K1140	L1133-S1136 WeakPolarHBondContact O-CB 3.17Å; L1133-S1136 PolarHBondContact O-N 3.27Å; L1133-S1136 VanDerWaalsContact O-N 3.09Å; L1133-S1136 PolarHBondContact O-OG 3.43Å; K1134-S1136 VanDerWaalsContact C-N 3.35Å; S1136-E1138 PolarHBondContact O-N 3.25Å; S1136-E1139 PolarHBondContact O-N 3.27Å; S1136-E1139 WeakPolarHBondContact OG-CB 3.38Å; S1136-E1139 PolarHBondContact OG-N 2.79Å; S1136-K1140 VanDerWaalsContact O-CB 3.25Å; S1136-K1140 WeakPolarHBondContact O-CB 3.34Å; S1136-K1140 PolarHBondContact O-N 3.48Å
1137	E	86.2	Confident	88.4	Confident	143 Å²	143	69 Å²	69	67%	0.668	37%	0.369	S	S	*	.	H	α-helix	trans	-59.4	-45.3	178.9	-173.9	169.6	-153.7	0	0	112.1	E1139 K1140 D1141	E1137-E1139 PolarHBondContact O-N 3.22Å; E1137-K1140 PolarHBondContact O-N 3.47Å; E1137-D1141 PolarHBondContact O-N 3.41Å
1138	E	88.7	Confident	88.6	Confident	163 Å²	163	71.8 Å²	71.8	76%	0.762	39%	0.388	S	S	*	.	H	α-helix	trans	-60.6	-45.2	178.6	-65.2	179.9	172.2	0	0	112.6	S1136 K1142	S1136-E1138 PolarHBondContact O-N 3.25Å; E1138-K1142 VanDerWaalsContact O-CB 3.23Å; E1138-K1142 WeakPolarHBondContact O-CB 3.46Å; E1138-K1142 PolarHBondContact O-N 3.01Å
1139	E	89.7	Confident	88.9	Confident	36 Å²	36	75 Å²	75	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-74.2	-32.5	-178.9	-75.7	-69.3	142.7	0	0	112.2	K1134 S1136 E1137 K1142 L1143	K1134-E1139 HydrophobicContact CD-CB 4.18Å; K1134-E1139 HydrophobicContact CD-CG 4.4Å; K1134-E1139 WeakPolarHBondContact CD-OE2 3.12Å; K1134-E1139 WeakPolarHBondContact CE-OE2 3.36Å; K1134-E1139 IonicContact NZ-OE2 2.65Å; K1134-E1139 PolarHBondContact NZ-OE2 3.28Å; S1136-E1139 PolarHBondContact O-N 3.27Å; S1136-E1139 WeakPolarHBondContact OG-CB 3.38Å; S1136-E1139 PolarHBondContact OG-N 2.79Å; E1137-E1139 PolarHBondContact O-N 3.22Å; E1139-K1142 IonicContact OE1-NZ 2.82Å; E1139-L1143 WeakPolarHBondContact O-CB 3.46Å; E1139-L1143 WeakPolarHBondContact O-CG 3.49Å; E1139-L1143 PolarHBondContact O-N 3.27Å
1140	K	88.1	Confident	89.2	Confident	41 Å²	41	73.3 Å²	73.3	18%	0.178	38%	0.383	C	S	.	.	H	α-helix	trans	-61.7	-49.9	171.4	-179.1	-149.1	81.6	-169.8	0	110.7	V1052 M1053 I1056 S1136 E1137 K1142 L1143 L1144	V1052-K1140 HydrophobicContact CG1-CB 4.14Å; V1052-K1140 HydrophobicContact CG1-CG 4.08Å; M1053-K1140 HydrophobicContact SD-CD 3.58Å; M1053-K1140 VanDerWaalsContact SD-CD 3.58Å; M1053-K1140 HydrophobicContact SD-CG 3.84Å; I1056-K1140 HydrophobicContact CD1-CB 4.35Å; I1056-K1140 HydrophobicContact CD1-CD 3.96Å; I1056-K1140 HydrophobicContact CD1-CG 4.12Å; S1136-K1140 VanDerWaalsContact O-CB 3.25Å; S1136-K1140 WeakPolarHBondContact O-CB 3.34Å; S1136-K1140 PolarHBondContact O-N 3.48Å; E1137-K1140 PolarHBondContact O-N 3.47Å; K1140-K1142 VanDerWaalsContact C-N 3.34Å; K1140-K1142 PolarHBondContact O-N 2.81Å; K1140-L1143 PolarHBondContact O-N 2.85Å; K1140-L1144 HydrophobicContact CG-CD1 4.47Å; K1140-L1144 WeakPolarHBondContact O-CG 3.19Å; K1140-L1144 PolarHBondContact O-N 3.23Å
1141	D	90.9	Very high	89.6	Confident	76 Å²	76	75.6 Å²	75.6	41%	0.406	39%	0.392	S	S	.	.	H	α-helix	trans	-65.9	-39	179.7	-72.7	-12	0	0	0	111.5	E1137 L1144 A1145	E1137-D1141 PolarHBondContact O-N 3.41Å; D1141-L1144 PolarHBondContact O-N 3.47Å; D1141-A1145 WeakPolarHBondContact O-CB 3.47Å; D1141-A1145 PolarHBondContact O-N 3.33Å
1142	K	92.4	Very high	90	Very high	101 Å²	101	79.1 Å²	79.1	44%	0.439	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-45.8	172.5	-176.7	179.7	174.7	-176.1	0	112.3	E1138 E1139 K1140 L1144 A1145 E1146	E1138-K1142 VanDerWaalsContact O-CB 3.23Å; E1138-K1142 WeakPolarHBondContact O-CB 3.46Å; E1138-K1142 PolarHBondContact O-N 3.01Å; E1139-K1142 IonicContact OE1-NZ 2.82Å; K1140-K1142 VanDerWaalsContact C-N 3.34Å; K1140-K1142 PolarHBondContact O-N 2.81Å; K1142-L1144 VanDerWaalsContact C-N 3.35Å; K1142-L1144 PolarHBondContact O-N 3.49Å; K1142-A1145 PolarHBondContact O-N 3.05Å; K1142-E1146 WeakPolarHBondContact CE-OE1 3.32Å; K1142-E1146 WeakPolarHBondContact O-CB 3.46Å; K1142-E1146 WeakPolarHBondContact O-CG 3.31Å; K1142-E1146 PolarHBondContact O-N 2.69Å
1143	L	90.7	Very high	90.5	Very high	5 Å²	5	76.3 Å²	76.3	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-61.3	-41.3	175.6	-82.2	169.9	0	0	0	112.1	L1045 V1052 M1130 K1134 E1139 K1140 E1146 R1147	L1045-L1143 HydrophobicContact CD2-CD2 4.17Å; V1052-L1143 HydrophobicContact CG2-CD1 4.08Å; M1130-L1143 HydrophobicContact CE-CD1 3.98Å; K1134-L1143 HydrophobicContact CD-CD1 4.21Å; E1139-L1143 WeakPolarHBondContact O-CB 3.46Å; E1139-L1143 WeakPolarHBondContact O-CG 3.49Å; E1139-L1143 PolarHBondContact O-N 3.27Å; K1140-L1143 PolarHBondContact O-N 2.85Å; L1143-E1146 PolarHBondContact O-N 3.44Å; L1143-R1147 VanDerWaalsContact O-CB 3.32Å; L1143-R1147 WeakPolarHBondContact O-CB 3.38Å; L1143-R1147 PolarHBondContact O-N 2.79Å
1144	L	91.1	Very high	90.9	Very high	44 Å²	44	70.6 Å²	70.6	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-65.3	-38.2	176.1	-74	169.5	0	0	0	112.2	A1049 M1053 K1140 D1141 K1142 S1148	A1049-L1144 HydrophobicContact CB-CD2 3.88Å; M1053-L1144 HydrophobicContact SD-CD1 4.37Å; K1140-L1144 HydrophobicContact CG-CD1 4.47Å; K1140-L1144 WeakPolarHBondContact O-CG 3.19Å; K1140-L1144 PolarHBondContact O-N 3.23Å; D1141-L1144 PolarHBondContact O-N 3.47Å; K1142-L1144 VanDerWaalsContact C-N 3.35Å; K1142-L1144 PolarHBondContact O-N 3.49Å; L1144-S1148 WeakPolarHBondContact O-CB 2.89Å; L1144-S1148 PolarHBondContact O-N 2.82Å; L1144-S1148 PolarHBondContact O-OG 3.3Å
1145	A	93	Very high	91.4	Very high	58 Å²	58	72.9 Å²	72.9	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-48.8	174.4	0	0	0	0	0	111.4	D1141 K1142 R1147 S1148 Q1149	D1141-A1145 WeakPolarHBondContact O-CB 3.47Å; D1141-A1145 PolarHBondContact O-N 3.33Å; K1142-A1145 PolarHBondContact O-N 3.05Å; A1145-R1147 VanDerWaalsContact C-N 3.33Å; A1145-R1147 PolarHBondContact O-N 3.14Å; A1145-S1148 PolarHBondContact O-N 2.55Å; A1145-S1148 VanDerWaalsContact O-N 3.17Å; A1145-Q1149 WeakPolarHBondContact O-CB 3.18Å; A1145-Q1149 PolarHBondContact O-N 3.29Å
1146	E	93	Very high	91.9	Very high	69 Å²	69	73.8 Å²	73.8	32%	0.322	36%	0.362	S	S	.	.	H	α-helix	trans	-57.9	-44.3	176.2	-74.9	175.7	-173.1	0	0	111.5	L1045 K1142 L1143 Q1149 K1150	L1045-E1146 HydrophobicContact CD1-CB 4.5Å; K1142-E1146 WeakPolarHBondContact CE-OE1 3.32Å; K1142-E1146 WeakPolarHBondContact O-CB 3.46Å; K1142-E1146 WeakPolarHBondContact O-CG 3.31Å; K1142-E1146 PolarHBondContact O-N 2.69Å; L1143-E1146 PolarHBondContact O-N 3.44Å; E1146-Q1149 PolarHBondContact O-N 2.82Å; E1146-K1150 WeakPolarHBondContact O-CG 3.31Å; E1146-K1150 PolarHBondContact O-N 3.1Å
1147	R	91.7	Very high	92.1	Very high	76 Å²	76	72.6 Å²	72.6	29%	0.287	35%	0.353	S	S	.	.	H	α-helix	trans	-57.1	-52.2	173.8	-177.5	-156.1	66.9	171.9	-1.9	111	L1045 E1046 L1143 A1145 Q1149 K1150 F1151	L1045-R1147 HydrophobicContact CB-CB 4.03Å; L1045-R1147 HydrophobicContact CB-CG 4.23Å; E1046-R1147 HydrophobicContact CB-CG 4.42Å; L1143-R1147 VanDerWaalsContact O-CB 3.32Å; L1143-R1147 WeakPolarHBondContact O-CB 3.38Å; L1143-R1147 PolarHBondContact O-N 2.79Å; A1145-R1147 VanDerWaalsContact C-N 3.33Å; A1145-R1147 PolarHBondContact O-N 3.14Å; R1147-Q1149 VanDerWaalsContact C-N 3.3Å; R1147-Q1149 PolarHBondContact O-N 2.96Å; R1147-K1150 PolarHBondContact O-N 2.98Å; R1147-F1151 HydrophobicContact CG-CD2 3.93Å; R1147-F1151 HydrophobicContact CG-CE2 3.83Å; R1147-F1151 WeakPolarHBondContact O-CD2 3.5Å; R1147-F1151 PolarHBondContact O-N 3.08Å
1148	S	93.2	Very high	92.5	Very high	59 Å²	59	70.9 Å²	70.9	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-38.1	-176.5	-54.6	0	0	0	0	111.4	L1144 A1145 F1151 K1152	L1144-S1148 WeakPolarHBondContact O-CB 2.89Å; L1144-S1148 PolarHBondContact O-N 2.82Å; L1144-S1148 PolarHBondContact O-OG 3.3Å; A1145-S1148 PolarHBondContact O-N 2.55Å; A1145-S1148 VanDerWaalsContact O-N 3.17Å; S1148-F1151 PolarHBondContact O-N 3.4Å; S1148-K1152 PolarHBondContact O-N 3.02Å
1149	Q	94.9	Very high	92.7	Very high	116 Å²	116	69.7 Å²	69.7	54%	0.542	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-44.9	172.8	-178.3	174.4	-2.9	0	0	111.8	A1145 E1146 R1147 F1151 K1152 E1153	A1145-Q1149 WeakPolarHBondContact O-CB 3.18Å; A1145-Q1149 PolarHBondContact O-N 3.29Å; E1146-Q1149 PolarHBondContact O-N 2.82Å; R1147-Q1149 VanDerWaalsContact C-N 3.3Å; R1147-Q1149 PolarHBondContact O-N 2.96Å; Q1149-F1151 PolarHBondContact O-N 2.83Å; Q1149-K1152 WeakPolarHBondContact O-CB 3.48Å; Q1149-K1152 PolarHBondContact O-N 2.97Å; Q1149-E1153 PolarHBondContact NE2-OE1 3.26Å; Q1149-E1153 WeakPolarHBondContact O-CG 3.35Å; Q1149-E1153 PolarHBondContact O-N 3.24Å
1150	K	92.7	Very high	93	Very high	57 Å²	57	71.1 Å²	71.1	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-37.4	178.8	-73.4	-70.4	168.6	-159.7	0	113.6	L1038 A1042 L1045 E1146 R1147 K1152 E1153 L1154	L1038-K1150 HydrophobicContact CD2-CD 4.14Å; A1042-K1150 HydrophobicContact CB-CB 4.37Å; L1045-K1150 HydrophobicContact CD1-CB 4.18Å; L1045-K1150 HydrophobicContact CD1-CG 3.65Å; E1146-K1150 WeakPolarHBondContact O-CG 3.31Å; E1146-K1150 PolarHBondContact O-N 3.1Å; R1147-K1150 PolarHBondContact O-N 2.98Å; K1150-K1152 VanDerWaalsContact C-N 3.33Å; K1150-E1153 WeakPolarHBondContact CD-OE2 3.39Å; K1150-E1153 IonicContact NZ-OE1 3.24Å; K1150-E1153 IonicContact NZ-OE2 3.81Å; K1150-E1153 PolarHBondContact NZ-OE2 2.88Å; K1150-E1153 PolarHBondContact O-N 2.94Å; K1150-L1154 WeakPolarHBondContact O-CB 3.22Å; K1150-L1154 PolarHBondContact O-N 3.22Å
1151	F	93.5	Very high	93.3	Very high	76 Å²	76	71 Å²	71	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-65.4	-37.5	172.1	-84.9	-72.1	0	0	0	112.5	A1042 E1046 R1147 S1148 Q1149 L1154 H1155	A1042-F1151 HydrophobicContact CB-CD1 4.09Å; A1042-F1151 HydrophobicContact CB-CD2 4.16Å; A1042-F1151 HydrophobicContact CB-CE1 3.91Å; A1042-F1151 HydrophobicContact CB-CE2 3.98Å; A1042-F1151 HydrophobicContact CB-CG 4.22Å; A1042-F1151 HydrophobicContact CB-CZ 3.85Å; E1046-F1151 HydrophobicContact CB-CE2 4.23Å; E1046-F1151 HydrophobicContact CB-CZ 4.45Å; R1147-F1151 HydrophobicContact CG-CD2 3.93Å; R1147-F1151 HydrophobicContact CG-CE2 3.83Å; R1147-F1151 WeakPolarHBondContact O-CD2 3.5Å; R1147-F1151 PolarHBondContact O-N 3.08Å; S1148-F1151 PolarHBondContact O-N 3.4Å; Q1149-F1151 PolarHBondContact O-N 2.83Å; F1151-L1154 PolarHBondContact O-N 3.23Å; F1151-H1155 WeakPolarHBondContact O-CB 3.21Å; F1151-H1155 PolarHBondContact O-N 3.24Å
1152	K	94.9	Very high	93.4	Very high	139 Å²	139	69.1 Å²	69.1	60%	0.604	34%	0.339	S	S	*	.	H	α-helix	trans	-63	-49.8	173.7	-172.8	-179.4	177.2	-177.6	0	111.3	S1148 Q1149 K1150 L1154 H1155 D1156	S1148-K1152 PolarHBondContact O-N 3.02Å; Q1149-K1152 WeakPolarHBondContact O-CB 3.48Å; Q1149-K1152 PolarHBondContact O-N 2.97Å; K1150-K1152 VanDerWaalsContact C-N 3.33Å; K1152-L1154 VanDerWaalsContact C-N 3.28Å; K1152-L1154 PolarHBondContact O-N 3.27Å; K1152-H1155 WeakPolarHBondContact O-CB 3.16Å; K1152-H1155 PolarHBondContact O-N 3.2Å; K1152-D1156 VanDerWaalsContact O-CG 3.26Å; K1152-D1156 PolarHBondContact O-N 3.3Å
1153	E	93.8	Very high	93.6	Very high	65 Å²	65	67.1 Å²	67.1	30%	0.304	33%	0.33	S	S	.	.	H	α-helix	trans	-55.1	-43.3	175.2	-73.5	173.3	-161.5	0	0	112	Q1149 K1150 L1157	Q1149-E1153 PolarHBondContact NE2-OE1 3.26Å; Q1149-E1153 WeakPolarHBondContact O-CG 3.35Å; Q1149-E1153 PolarHBondContact O-N 3.24Å; K1150-E1153 WeakPolarHBondContact CD-OE2 3.39Å; K1150-E1153 IonicContact NZ-OE1 3.24Å; K1150-E1153 IonicContact NZ-OE2 3.81Å; K1150-E1153 PolarHBondContact NZ-OE2 2.88Å; K1150-E1153 PolarHBondContact O-N 2.94Å; E1153-L1157 WeakPolarHBondContact O-CB 3.49Å; E1153-L1157 PolarHBondContact O-N 2.89Å
1154	L	93.4	Very high	93.8	Very high	9 Å²	9	70.2 Å²	70.2	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-41.4	176.3	178.5	63.8	0	0	0	112.2	I1035 L1038 T1039 K1150 F1151 K1152 K1158	I1035-L1154 HydrophobicContact CG2-CD1 4.22Å; L1038-L1154 HydrophobicContact CB-CB 4.24Å; L1038-L1154 HydrophobicContact CB-CD1 3.81Å; T1039-L1154 WeakPolarHBondContact OG1-CD1 3.38Å; K1150-L1154 WeakPolarHBondContact O-CB 3.22Å; K1150-L1154 PolarHBondContact O-N 3.22Å; F1151-L1154 PolarHBondContact O-N 3.23Å; K1152-L1154 VanDerWaalsContact C-N 3.28Å; K1152-L1154 PolarHBondContact O-N 3.27Å; L1154-K1158 HydrophobicContact CG-CD 4.46Å; L1154-K1158 VanDerWaalsContact O-CG 3.32Å; L1154-K1158 WeakPolarHBondContact O-CG 3.46Å; L1154-K1158 PolarHBondContact O-N 2.98Å; L1154-K1158 VanDerWaalsContact O-N 3.08Å
1155	H	95.3	Very high	94	Very high	105 Å²	105	68.8 Å²	68.8	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-48.6	178.6	-172.9	74.4	0	0	0	111.1	F1151 K1152 L1157 K1158 Q1159	F1151-H1155 WeakPolarHBondContact O-CB 3.21Å; F1151-H1155 PolarHBondContact O-N 3.24Å; K1152-H1155 WeakPolarHBondContact O-CB 3.16Å; K1152-H1155 PolarHBondContact O-N 3.2Å; H1155-L1157 VanDerWaalsContact C-N 3.34Å; H1155-L1157 PolarHBondContact O-N 3.22Å; H1155-K1158 WeakPolarHBondContact O-CB 3.26Å; H1155-K1158 PolarHBondContact O-N 3.33Å; H1155-K1158 VanDerWaalsContact O-N 3.15Å; H1155-Q1159 PolarHBondContact CD2-NE2 2.9Å; H1155-Q1159 PolarHBondContact NE2-NE2 2.67Å; H1155-Q1159 PolarHBondContact O-N 2.89Å
1156	D	94.1	Very high	94.1	Very high	68 Å²	68	66 Å²	66	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-44.7	178.8	-64.4	-13.7	0	0	0	110.6	K1152 K1158 Q1159 K1160	K1152-D1156 VanDerWaalsContact O-CG 3.26Å; K1152-D1156 PolarHBondContact O-N 3.3Å; D1156-K1158 VanDerWaalsContact C-N 3.34Å; D1156-K1158 PolarHBondContact O-N 2.8Å; D1156-Q1159 PolarHBondContact O-N 2.88Å; D1156-K1160 PolarHBondContact O-N 2.97Å
1157	L	93.3	Very high	94.3	Very high	19 Å²	19	64.9 Å²	64.9	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-36.5	177.2	-177.9	65.7	0	0	0	112.8	K1031 L1034 I1035 L1038 E1153 H1155 Q1159 K1160 L1165	K1031-L1157 VanDerWaalsContact CE-O 3.28Å; K1031-L1157 WeakPolarHBondContact CE-O 2.95Å; L1034-L1157 HydrophobicContact CB-CD2 3.51Å; L1034-L1157 HydrophobicContact CD1-CD2 4.48Å; I1035-L1157 HydrophobicContact CG1-CD2 3.88Å; I1035-L1157 HydrophobicContact CG1-CG 4.2Å; L1038-L1157 HydrophobicContact CD1-CB 4.46Å; L1038-L1157 HydrophobicContact CD1-CD2 3.68Å; E1153-L1157 WeakPolarHBondContact O-CB 3.49Å; E1153-L1157 PolarHBondContact O-N 2.89Å; H1155-L1157 VanDerWaalsContact C-N 3.34Å; H1155-L1157 PolarHBondContact O-N 3.22Å; L1157-Q1159 VanDerWaalsContact C-N 3.29Å; L1157-Q1159 PolarHBondContact O-N 3.17Å; L1157-K1160 PolarHBondContact O-N 3.45Å; L1157-L1165 HydrophobicContact CD1-CD1 4.27Å; L1157-L1165 HydrophobicContact CD1-CD2 3.9Å
1158	K	93.6	Very high	94.5	Very high	107 Å²	107	65.1 Å²	65.1	47%	0.465	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-38.1	177.6	-81.6	176	178.3	179.5	0	111.5	K1031 I1035 L1154 H1155 D1156	K1031-K1158 PolarHBondContact NZ-O 3.39Å; I1035-K1158 HydrophobicContact CD1-CG 3.98Å; I1035-K1158 HydrophobicContact CG1-CG 4.24Å; L1154-K1158 HydrophobicContact CG-CD 4.46Å; L1154-K1158 VanDerWaalsContact O-CG 3.32Å; L1154-K1158 WeakPolarHBondContact O-CG 3.46Å; L1154-K1158 PolarHBondContact O-N 2.98Å; L1154-K1158 VanDerWaalsContact O-N 3.08Å; H1155-K1158 WeakPolarHBondContact O-CB 3.26Å; H1155-K1158 PolarHBondContact O-N 3.33Å; H1155-K1158 VanDerWaalsContact O-N 3.15Å; D1156-K1158 VanDerWaalsContact C-N 3.34Å; D1156-K1158 PolarHBondContact O-N 2.8Å
1159	Q	94.4	Very high	94.7	Very high	137 Å²	137	63 Å²	63	64%	0.64	30%	0.302	S	S	*	.	H	α-helix	trans	-69.5	-36.6	179.4	-66.3	-173.2	0.3	0	0	113.2	H1155 D1156 L1157	H1155-Q1159 PolarHBondContact CD2-NE2 2.9Å; H1155-Q1159 PolarHBondContact NE2-NE2 2.67Å; H1155-Q1159 PolarHBondContact O-N 2.89Å; D1156-Q1159 PolarHBondContact O-N 2.88Å; L1157-Q1159 VanDerWaalsContact C-N 3.29Å; L1157-Q1159 PolarHBondContact O-N 3.17Å
1160	K	94.1	Very high	94.7	Very high	67 Å²	67	57.5 Å²	57.5	29%	0.291	28%	0.276	S	S	.	.	S	Bend	trans	-65	134	-179.8	-69.1	-177.8	-176.2	-171.4	0	112.5	K1031 D1156 L1157 D1164 L1165 E1168	K1031-K1160 WeakPolarHBondContact CE-O 3.37Å; K1031-K1160 PolarHBondContact NZ-O 3.2Å; D1156-K1160 PolarHBondContact O-N 2.97Å; L1157-K1160 PolarHBondContact O-N 3.45Å; K1160-D1164 HydrophobicContact CB-CB 4.31Å; K1160-L1165 HydrophobicContact CB-CD2 4.38Å; K1160-L1165 HydrophobicContact CD-CD2 3.92Å; K1160-E1168 WeakPolarHBondContact CE-OE1 3.45Å; K1160-E1168 IonicContact NZ-OE1 2.68Å; K1160-E1168 PolarHBondContact NZ-OE1 2.92Å; K1160-E1168 IonicContact NZ-OE2 3.76Å; K1160-E1168 PolarHBondContact NZ-OE2 3.41Å
1161	S	94.4	Very high	94.9	Very high	39 Å²	39	60.3 Å²	60.3	27%	0.273	29%	0.29	S	S	.	.			trans	-76.2	162.1	169.6	75.3	0	0	0	0	111.5	K1163 D1164 L1165	S1161-K1163 PolarHBondContact O-N 3.31Å; S1161-K1163 PolarHBondContact OG-N 2.83Å; S1161-D1164 WeakPolarHBondContact CA-OD2 3.45Å; S1161-D1164 VanDerWaalsContact CB-OD2 3.28Å; S1161-D1164 WeakPolarHBondContact CB-OD2 3.43Å; S1161-D1164 PolarHBondContact N-OD2 3.49Å; S1161-D1164 PolarHBondContact O-N 2.8Å; S1161-D1164 VanDerWaalsContact O-N 3.11Å; S1161-D1164 PolarHBondContact OG-N 3.48Å; S1161-D1164 PolarHBondContact OG-OD1 3.31Å; S1161-D1164 PolarHBondContact OG-OD2 3.47Å; S1161-L1165 PolarHBondContact O-N 3.1Å
1162	P	94.1	Very high	95	Very high	35 Å²	35	60.6 Å²	60.6	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	-55.1	-28.6	169.5	-27.4	36.6	0	0	0	113.7	L1024 A1028 W1166	L1024-P1162 HydrophobicContact CD1-CB 4.32Å; A1028-P1162 HydrophobicContact CB-CG 4.44Å; P1162-W1166 PolarHBondContact O-N 3.42Å
1163	K	95.5	Very high	95.1	Very high	59 Å²	59	54 Å²	54	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-71	-39.5	176.7	-64.5	-171.9	172.2	-170.5	0	111.8	L878 N880 L1024 S1161 W1166 N1167	L878-K1163 HydrophobicContact CD2-CB 3.94Å; L878-K1163 HydrophobicContact CD2-CD 4.27Å; L878-K1163 HydrophobicContact CD2-CG 3.79Å; L878-K1163 PolarHBondContact O-NZ 3.36Å; N880-K1163 PolarHBondContact OD1-NZ 3.45Å; L1024-K1163 HydrophobicContact CD1-CG 4.12Å; S1161-K1163 PolarHBondContact O-N 3.31Å; S1161-K1163 PolarHBondContact OG-N 2.83Å; K1163-W1166 PolarHBondContact O-N 3.31Å; K1163-N1167 PolarHBondContact O-N 3.29Å
1164	D	94.9	Very high	95.2	Very high	70 Å²	70	52.3 Å²	52.3	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-43.3	179	-55.2	-39.5	0	0	0	110.8	K1160 S1161 W1166 N1167 E1168	K1160-D1164 HydrophobicContact CB-CB 4.31Å; S1161-D1164 WeakPolarHBondContact CA-OD2 3.45Å; S1161-D1164 VanDerWaalsContact CB-OD2 3.28Å; S1161-D1164 WeakPolarHBondContact CB-OD2 3.43Å; S1161-D1164 PolarHBondContact N-OD2 3.49Å; S1161-D1164 PolarHBondContact O-N 2.8Å; S1161-D1164 VanDerWaalsContact O-N 3.11Å; S1161-D1164 PolarHBondContact OG-N 3.48Å; S1161-D1164 PolarHBondContact OG-OD1 3.31Å; S1161-D1164 PolarHBondContact OG-OD2 3.47Å; D1164-W1166 PolarHBondContact O-N 2.76Å; D1164-N1167 PolarHBondContact O-N 3.13Å; D1164-N1167 VanDerWaalsContact O-N 3.17Å; D1164-E1168 WeakPolarHBondContact O-CG 3.37Å; D1164-E1168 PolarHBondContact O-N 3Å
1165	L	95.5	Very high	95.4	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-38.2	173.7	-65.4	177.3	0	0	0	112	Y1027 K1031 L1157 K1160 S1161 D1169	Y1027-L1165 HydrophobicContact CD1-CB 3.73Å; Y1027-L1165 HydrophobicContact CE1-CB 3.95Å; K1031-L1165 HydrophobicContact CB-CD1 3.95Å; K1031-L1165 HydrophobicContact CD-CD1 4.49Å; K1031-L1165 HydrophobicContact CG-CD1 4.21Å; L1157-L1165 HydrophobicContact CD1-CD1 4.27Å; L1157-L1165 HydrophobicContact CD1-CD2 3.9Å; K1160-L1165 HydrophobicContact CB-CD2 4.38Å; K1160-L1165 HydrophobicContact CD-CD2 3.92Å; S1161-L1165 PolarHBondContact O-N 3.1Å; L1165-D1169 PolarHBondContact O-N 3.24Å; L1165-D1169 VanDerWaalsContact O-N 3.15Å
1166	W	96.8	Very high	95.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-41.6	177.5	-159.7	-8.7	0	0	0	112.1	I842 I874 L878 F1019 Y1020 R1023 L1024 Y1027 P1162 K1163 D1164 E1168 D1169 L1170	I842-W1166 PolarHBondContact O-NE1 3.33Å; I874-W1166 HydrophobicContact CD1-CZ2 4.17Å; I874-W1166 HydrophobicContact CG1-CZ2 4.49Å; I874-W1166 HydrophobicContact CG2-CD2 4.3Å; I874-W1166 HydrophobicContact CG2-CH2 4.13Å; I874-W1166 HydrophobicContact CG2-CZ2 3.67Å; L878-W1166 HydrophobicContact CD1-CB 4.29Å; L878-W1166 HydrophobicContact CD1-CD2 4.47Å; L878-W1166 HydrophobicContact CD1-CG 4.36Å; L878-W1166 HydrophobicContact CD2-CD2 4.34Å; L878-W1166 HydrophobicContact CD2-CE3 3.72Å; L878-W1166 HydrophobicContact CD2-CZ3 4.23Å; F1019-W1166 HydrophobicContact CE1-CZ2 4.24Å; Y1020-W1166 AromaticContact CD2-CH2 3.47Å; Y1020-W1166 HydrophobicContact CD2-CH2 3.47Å; Y1020-W1166 VanDerWaalsContact CD2-CH2 3.47Å; Y1020-W1166 AromaticContact CD2-CZ3 3.54Å; Y1020-W1166 HydrophobicContact CD2-CZ3 3.54Å; Y1020-W1166 HydrophobicContact CE2-CH2 4.09Å; Y1020-W1166 AromaticContact CE2-CZ3 3.69Å; Y1020-W1166 HydrophobicContact CE2-CZ3 3.69Å; Y1020-W1166 HydrophobicContact CG-CH2 4.12Å; Y1020-W1166 HydrophobicContact CG-CZ3 4.28Å; R1023-W1166 HydrophobicContact CB-CH2 3.68Å; R1023-W1166 HydrophobicContact CB-CZ2 3.87Å; R1023-W1166 HydrophobicContact CB-CZ3 4.21Å; R1023-W1166 HydrophobicContact CG-CD2 4.21Å; R1023-W1166 HydrophobicContact CG-CE3 4.35Å; R1023-W1166 HydrophobicContact CG-CH2 3.67Å; R1023-W1166 HydrophobicContact CG-CZ2 3.41Å; R1023-W1166 VanDerWaalsContact CG-CZ2 3.41Å; R1023-W1166 HydrophobicContact CG-CZ3 4.12Å; L1024-W1166 HydrophobicContact CB-CZ3 4.05Å; L1024-W1166 HydrophobicContact CD1-CE3 4.24Å; L1024-W1166 HydrophobicContact CD1-CZ3 4.41Å; Y1027-W1166 HydrophobicContact CD2-CB 3.93Å; Y1027-W1166 AromaticContact CD2-CD2 3.88Å; Y1027-W1166 HydrophobicContact CD2-CD2 3.88Å; Y1027-W1166 AromaticContact CD2-CE3 3.94Å; Y1027-W1166 HydrophobicContact CD2-CE3 3.94Å; Y1027-W1166 AromaticContact CD2-CG 3.89Å; Y1027-W1166 HydrophobicContact CD2-CG 3.89Å; Y1027-W1166 HydrophobicContact CE1-CB 4.16Å; Y1027-W1166 HydrophobicContact CE2-CB 3.43Å; Y1027-W1166 VanDerWaalsContact CE2-CB 3.43Å; Y1027-W1166 AromaticContact CE2-CD1 3.45Å; Y1027-W1166 VanDerWaalsContact CE2-CD1 3.45Å; Y1027-W1166 AromaticContact CE2-CD2 3.37Å; Y1027-W1166 HydrophobicContact CE2-CD2 3.37Å; Y1027-W1166 AromaticContact CE2-CE2 3.89Å; Y1027-W1166 AromaticContact CE2-CE3 3.91Å; Y1027-W1166 HydrophobicContact CE2-CE3 3.91Å; Y1027-W1166 AromaticContact CE2-CG 3.11Å; Y1027-W1166 HydrophobicContact CE2-CG 3.11Å; Y1027-W1166 AromaticContact CE2-NE1 3.87Å; Y1027-W1166 HydrophobicContact CG-CB 4.46Å; Y1027-W1166 VanDerWaalsContact CZ-CA 3.44Å; Y1027-W1166 AromaticContact CZ-CD1 3.62Å; Y1027-W1166 AromaticContact CZ-CG 3.54Å; Y1027-W1166 WeakPolarHBondContact OH-CA 3.49Å; P1162-W1166 PolarHBondContact O-N 3.42Å; K1163-W1166 PolarHBondContact O-N 3.31Å; D1164-W1166 PolarHBondContact O-N 2.76Å; W1166-E1168 VanDerWaalsContact C-N 3.32Å; W1166-E1168 PolarHBondContact O-N 3.4Å; W1166-D1169 PolarHBondContact O-N 3.14Å; W1166-L1170 VanDerWaalsContact O-CG 3.25Å; W1166-L1170 WeakPolarHBondContact O-CG 3.24Å; W1166-L1170 PolarHBondContact O-N 3.42Å
1167	N	96.2	Very high	95.4	Very high	44 Å²	44	48.5 Å²	48.5	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-41.1	176.1	-84	-32.6	0	0	0	112.5	L878 K1163 D1164 L1170 E1171	L878-N1167 VanDerWaalsContact CD1-OD1 3.27Å; L878-N1167 WeakPolarHBondContact CD1-OD1 3.3Å; K1163-N1167 PolarHBondContact O-N 3.29Å; D1164-N1167 PolarHBondContact O-N 3.13Å; D1164-N1167 VanDerWaalsContact O-N 3.17Å; N1167-L1170 PolarHBondContact O-N 3.36Å; N1167-E1171 PolarHBondContact O-N 3.41Å; N1167-E1171 VanDerWaalsContact O-N 3.09Å
1168	E	95.8	Very high	95.6	Very high	81 Å²	81	51.3 Å²	51.3	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-45.4	175.4	-71.2	174.5	-170.9	0	0	111.9	K1160 D1164 W1166 L1170 E1171 L1172	K1160-E1168 WeakPolarHBondContact CE-OE1 3.45Å; K1160-E1168 IonicContact NZ-OE1 2.68Å; K1160-E1168 PolarHBondContact NZ-OE1 2.92Å; K1160-E1168 IonicContact NZ-OE2 3.76Å; K1160-E1168 PolarHBondContact NZ-OE2 3.41Å; D1164-E1168 WeakPolarHBondContact O-CG 3.37Å; D1164-E1168 PolarHBondContact O-N 3Å; W1166-E1168 VanDerWaalsContact C-N 3.32Å; W1166-E1168 PolarHBondContact O-N 3.4Å; E1168-L1170 VanDerWaalsContact C-N 3.31Å; E1168-L1170 PolarHBondContact O-N 2.92Å; E1168-E1171 PolarHBondContact O-N 2.84Å; E1168-L1172 PolarHBondContact O-N 3.05Å
1169	D	96.7	Very high	95.6	Very high	16 Å²	16	51.7 Å²	51.7	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-36.3	177.3	-80.1	-1.8	0	0	0	111.9	H817 I842 R1023 Y1027 R1030 L1165 W1166 F1173	H817-D1169 IonicContact CD2-OD1 2.72Å; H817-D1169 PolarHBondContact CD2-OD1 3.49Å; H817-D1169 VanDerWaalsContact CD2-OD1 3.29Å; H817-D1169 IonicContact CD2-OD2 3.96Å; H817-D1169 IonicContact NE2-OD1 3.97Å; I842-D1169 HydrophobicContact CG2-CB 3.98Å; R1023-D1169 IonicContact NH2-OD2 3.72Å; Y1027-D1169 WeakPolarHBondContact CE1-OD2 3.42Å; Y1027-D1169 WeakPolarHBondContact OH-CB 3.48Å; Y1027-D1169 PolarHBondContact OH-OD2 2.82Å; R1030-D1169 IonicContact CZ-OD2 3.61Å; R1030-D1169 IonicContact NH1-OD1 2.67Å; R1030-D1169 IonicContact NH1-OD2 2.78Å; R1030-D1169 PolarHBondContact NH1-OD2 3.36Å; L1165-D1169 PolarHBondContact O-N 3.24Å; L1165-D1169 VanDerWaalsContact O-N 3.15Å; W1166-D1169 PolarHBondContact O-N 3.14Å; D1169-F1173 WeakPolarHBondContact O-CB 3.36Å; D1169-F1173 PolarHBondContact O-N 2.71Å
1170	L	96.8	Very high	95.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-38.8	176.1	-67.9	168.7	0	0	0	112.1	I842 L843 V871 I874 R875 L878 W1166 N1167 E1168 F1173 L1174	I842-L1170 HydrophobicContact CD1-CD2 4.44Å; L843-L1170 HydrophobicContact CD2-CD2 3.52Å; L843-L1170 HydrophobicContact CG-CD2 4.23Å; V871-L1170 HydrophobicContact CG1-CB 4.14Å; V871-L1170 HydrophobicContact CG1-CD1 4.44Å; V871-L1170 HydrophobicContact CG1-CD2 4.27Å; V871-L1170 HydrophobicContact CG2-CD2 4.05Å; I874-L1170 HydrophobicContact CG2-CD1 3.83Å; R875-L1170 HydrophobicContact CG-CD1 4.22Å; L878-L1170 HydrophobicContact CD1-CD1 4.27Å; W1166-L1170 VanDerWaalsContact O-CG 3.25Å; W1166-L1170 WeakPolarHBondContact O-CG 3.24Å; W1166-L1170 PolarHBondContact O-N 3.42Å; N1167-L1170 PolarHBondContact O-N 3.36Å; E1168-L1170 VanDerWaalsContact C-N 3.31Å; E1168-L1170 PolarHBondContact O-N 2.92Å; L1170-F1173 PolarHBondContact O-N 3.1Å; L1170-L1174 WeakPolarHBondContact O-CG 3.07Å; L1170-L1174 PolarHBondContact O-N 2.76Å
1171	E	96.4	Very high	95.5	Very high	116 Å²	116	45 Å²	45	54%	0.542	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-43.6	175.8	-74.7	179	-176.3	0	0	112	R875 N1167 E1168 F1173 L1174 S1175	R875-E1171 IonicContact NH2-OE1 3.06Å; N1167-E1171 PolarHBondContact O-N 3.41Å; N1167-E1171 VanDerWaalsContact O-N 3.09Å; E1168-E1171 PolarHBondContact O-N 2.84Å; E1171-F1173 VanDerWaalsContact C-N 3.3Å; E1171-F1173 PolarHBondContact O-N 2.93Å; E1171-L1174 PolarHBondContact O-N 2.99Å; E1171-S1175 PolarHBondContact O-N 3.15Å
1172	L	95.6	Very high	95.4	Very high	81 Å²	81	48.7 Å²	48.7	42%	0.424	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-44.7	174.9	-179.6	63.2	0	0	0	111.1	E1168 S1175 E1176	E1168-L1172 PolarHBondContact O-N 3.05Å; L1172-S1175 WeakPolarHBondContact O-CB 3.45Å; L1172-S1175 PolarHBondContact O-N 3.37Å; L1172-E1176 HydrophobicContact CD1-CG 4.49Å; L1172-E1176 PolarHBondContact O-N 3.07Å
1173	F	96.7	Very high	95.2	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-46.4	176.9	166.9	-100.2	0	0	0	113.2	V811 A814 L815 I842 L843 P867 V871 D1169 L1170 E1171 S1175 E1176 L1177	V811-F1173 HydrophobicContact CG1-CD2 4.02Å; V811-F1173 HydrophobicContact CG1-CE2 3.61Å; A814-F1173 HydrophobicContact CB-CB 4.31Å; A814-F1173 HydrophobicContact CB-CD2 4.45Å; L815-F1173 HydrophobicContact CD1-CE2 4.03Å; L815-F1173 HydrophobicContact CD2-CD2 3.75Å; L815-F1173 HydrophobicContact CD2-CE2 3.47Å; L815-F1173 VanDerWaalsContact CD2-CE2 3.47Å; L815-F1173 HydrophobicContact CD2-CZ 4.12Å; L815-F1173 HydrophobicContact CG-CD2 3.77Å; L815-F1173 HydrophobicContact CG-CE2 3.54Å; I842-F1173 HydrophobicContact CD1-CB 3.39Å; I842-F1173 HydrophobicContact CD1-CD2 4.3Å; I842-F1173 HydrophobicContact CD1-CG 3.82Å; L843-F1173 HydrophobicContact CD1-CD1 3.72Å; L843-F1173 HydrophobicContact CD1-CE1 3.32Å; L843-F1173 HydrophobicContact CD1-CE2 4.42Å; L843-F1173 HydrophobicContact CD1-CG 4.42Å; L843-F1173 HydrophobicContact CD1-CZ 3.72Å; P867-F1173 HydrophobicContact CB-CE1 4.15Å; P867-F1173 HydrophobicContact CB-CZ 4.04Å; V871-F1173 HydrophobicContact CG2-CD1 4.12Å; V871-F1173 HydrophobicContact CG2-CE1 4.2Å; D1169-F1173 WeakPolarHBondContact O-CB 3.36Å; D1169-F1173 PolarHBondContact O-N 2.71Å; L1170-F1173 PolarHBondContact O-N 3.1Å; E1171-F1173 VanDerWaalsContact C-N 3.3Å; E1171-F1173 PolarHBondContact O-N 2.93Å; F1173-S1175 VanDerWaalsContact C-N 3.29Å; F1173-S1175 PolarHBondContact O-N 3.49Å; F1173-E1176 PolarHBondContact O-N 3.16Å; F1173-L1177 HydrophobicContact CE1-CD2 4.13Å; F1173-L1177 HydrophobicContact CZ-CD2 4.02Å; F1173-L1177 WeakPolarHBondContact O-CB 3.27Å; F1173-L1177 PolarHBondContact O-N 2.71Å
1174	L	96.4	Very high	94.8	Very high	30 Å²	30	53.2 Å²	53.2	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-40.8	177.3	-72.4	175.2	0	0	0	111.4	R868 V871 L1170 E1171 L1177 D1178	R868-L1174 HydrophobicContact CG-CD2 4.07Å; V871-L1174 HydrophobicContact CG1-CD1 3.96Å; V871-L1174 HydrophobicContact CG1-CG 4.43Å; V871-L1174 HydrophobicContact CG2-CD2 4.15Å; V871-L1174 HydrophobicContact CG2-CG 4.38Å; L1170-L1174 WeakPolarHBondContact O-CG 3.07Å; L1170-L1174 PolarHBondContact O-N 2.76Å; E1171-L1174 PolarHBondContact O-N 2.99Å; L1174-L1177 PolarHBondContact O-N 2.61Å; L1174-D1178 WeakPolarHBondContact O-CB 3.44Å; L1174-D1178 PolarHBondContact O-N 2.97Å
1175	S	96.5	Very high	94.3	Very high	54 Å²	54	57.3 Å²	57.3	38%	0.378	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-46.3	176.6	-171.3	0	0	0	0	112.3	E1171 L1172 F1173 D1178 K1179	E1171-S1175 PolarHBondContact O-N 3.15Å; L1172-S1175 WeakPolarHBondContact O-CB 3.45Å; L1172-S1175 PolarHBondContact O-N 3.37Å; F1173-S1175 VanDerWaalsContact C-N 3.29Å; F1173-S1175 PolarHBondContact O-N 3.49Å; S1175-D1178 PolarHBondContact O-N 3.06Å; S1175-K1179 VanDerWaalsContact O-CG 3.31Å; S1175-K1179 WeakPolarHBondContact O-CG 3.42Å; S1175-K1179 PolarHBondContact O-N 3.31Å; S1175-K1179 VanDerWaalsContact O-N 3.11Å
1176	E	95.3	Very high	93.9	Very high	45 Å²	45	61 Å²	61	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-37.7	177.9	-69.6	-55.4	130	0	0	112.2	V811 A814 L1172 F1173 K1179 Q1180	V811-E1176 HydrophobicContact CG2-CB 4.39Å; A814-E1176 HydrophobicContact CB-CB 4.3Å; A814-E1176 HydrophobicContact CB-CG 4.24Å; L1172-E1176 HydrophobicContact CD1-CG 4.49Å; L1172-E1176 PolarHBondContact O-N 3.07Å; F1173-E1176 PolarHBondContact O-N 3.16Å; E1176-K1179 PolarHBondContact O-N 2.84Å; E1176-K1179 IonicContact OE1-NZ 3.62Å; E1176-K1179 PolarHBondContact OE1-NZ 3.21Å; E1176-Q1180 PolarHBondContact O-N 2.97Å
1177	L	95.5	Very high	93.2	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-44.6	174.9	-176	64.1	0	0	0	111.4	V779 V811 P867 F1173 L1174 K1179 Q1180 E1181	V779-L1177 HydrophobicContact CG2-CD1 4.16Å; V811-L1177 HydrophobicContact CG1-CD1 4.41Å; P867-L1177 HydrophobicContact CB-CD2 4.19Å; F1173-L1177 HydrophobicContact CE1-CD2 4.13Å; F1173-L1177 HydrophobicContact CZ-CD2 4.02Å; F1173-L1177 WeakPolarHBondContact O-CB 3.27Å; F1173-L1177 PolarHBondContact O-N 2.71Å; L1174-L1177 PolarHBondContact O-N 2.61Å; L1177-K1179 VanDerWaalsContact C-N 3.34Å; L1177-K1179 PolarHBondContact O-N 2.98Å; L1177-Q1180 PolarHBondContact O-N 3.29Å; L1177-E1181 HydrophobicContact CD1-CG 4.41Å; L1177-E1181 WeakPolarHBondContact O-CG 3.38Å; L1177-E1181 PolarHBondContact O-N 3.34Å
1178	D	95.7	Very high	92.2	Very high	78 Å²	78	65.9 Å²	65.9	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-41.6	177.2	-71.7	-9.6	0	0	0	112	R868 L1174 S1175 K1182	R868-D1178 IonicContact CZ-OD1 3.29Å; R868-D1178 IonicContact NH1-OD1 3.85Å; R868-D1178 PolarHBondContact NH1-OD1 2.82Å; R868-D1178 IonicContact NH2-OD1 3.63Å; R868-D1178 PolarHBondContact NH2-OD1 2.92Å; L1174-D1178 WeakPolarHBondContact O-CB 3.44Å; L1174-D1178 PolarHBondContact O-N 2.97Å; S1175-D1178 PolarHBondContact O-N 3.06Å; D1178-K1182 VanDerWaalsContact O-CB 3.23Å; D1178-K1182 WeakPolarHBondContact O-CB 3.34Å; D1178-K1182 PolarHBondContact O-N 3.07Å
1179	K	95.5	Very high	91.1	Very high	115 Å²	115	69 Å²	69	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-45	175.8	-71.8	171.8	-165.9	170.9	0	111.1	S1175 E1176 L1177 K1182 R1183	S1175-K1179 VanDerWaalsContact O-CG 3.31Å; S1175-K1179 WeakPolarHBondContact O-CG 3.42Å; S1175-K1179 PolarHBondContact O-N 3.31Å; S1175-K1179 VanDerWaalsContact O-N 3.11Å; E1176-K1179 PolarHBondContact O-N 2.84Å; E1176-K1179 IonicContact OE1-NZ 3.62Å; E1176-K1179 PolarHBondContact OE1-NZ 3.21Å; L1177-K1179 VanDerWaalsContact C-N 3.34Å; L1177-K1179 PolarHBondContact O-N 2.98Å; K1179-K1182 PolarHBondContact O-N 3.1Å; K1179-R1183 PolarHBondContact O-N 2.8Å
1180	Q	92.7	Very high	89.4	Confident	20 Å²	20	73.7 Å²	73.7	9%	0.093	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-49.3	179.4	178.9	59.9	23.1	0	0	111.8	V811 E1176 L1177 K1182 R1183 E1184	V811-Q1180 HydrophobicContact CG2-CB 3.63Å; V811-Q1180 HydrophobicContact CG2-CG 4.04Å; E1176-Q1180 PolarHBondContact O-N 2.97Å; L1177-Q1180 PolarHBondContact O-N 3.29Å; Q1180-K1182 PolarHBondContact O-N 3.46Å; Q1180-R1183 WeakPolarHBondContact O-CB 3.27Å; Q1180-R1183 PolarHBondContact O-N 2.97Å; Q1180-R1183 VanDerWaalsContact O-N 3.11Å; Q1180-E1184 WeakPolarHBondContact CG-OE1 3.29Å; Q1180-E1184 PolarHBondContact NE2-OE1 3.28Å; Q1180-E1184 WeakPolarHBondContact O-CG 3.47Å; Q1180-E1184 PolarHBondContact O-N 2.86Å
1181	E	92	Very high	87.4	Confident	43 Å²	43	77.9 Å²	77.9	20%	0.201	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-28.6	178.2	-70.1	-178.2	156.4	0	0	112.6	R868 L1177 R1185	R868-E1181 IonicContact CZ-OE2 3.77Å; R868-E1181 IonicContact NH2-OE2 3.09Å; R868-E1181 PolarHBondContact NH2-OE2 2.63Å; L1177-E1181 HydrophobicContact CD1-CG 4.41Å; L1177-E1181 WeakPolarHBondContact O-CG 3.38Å; L1177-E1181 PolarHBondContact O-N 3.34Å; E1181-R1185 WeakPolarHBondContact O-CG 3.43Å; E1181-R1185 PolarHBondContact O-N 3.11Å; E1181-R1185 PolarHBondContact O-NE 3Å
1182	K	92.6	Very high	84.9	Confident	117 Å²	117	77.4 Å²	77.4	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-46.5	171.4	-177.7	178.5	172.7	-176.1	0	110.9	D1178 K1179 Q1180 R1185 E1186	D1178-K1182 VanDerWaalsContact O-CB 3.23Å; D1178-K1182 WeakPolarHBondContact O-CB 3.34Å; D1178-K1182 PolarHBondContact O-N 3.07Å; K1179-K1182 PolarHBondContact O-N 3.1Å; Q1180-K1182 PolarHBondContact O-N 3.46Å; K1182-R1185 PolarHBondContact O-N 2.9Å; K1182-E1186 WeakPolarHBondContact CE-OE1 3.26Å; K1182-E1186 WeakPolarHBondContact O-CG 3.49Å; K1182-E1186 PolarHBondContact O-N 2.97Å
1183	R	89.7	Confident	82.4	Confident	146 Å²	146	78 Å²	78	55%	0.551	38%	0.381	S	S	*	.	H	α-helix	trans	-59.7	-47.9	178.5	-165.6	179.1	-156	167.2	6.1	112	K1179 Q1180 R1185 E1186 D1187	K1179-R1183 PolarHBondContact O-N 2.8Å; Q1180-R1183 WeakPolarHBondContact O-CB 3.27Å; Q1180-R1183 PolarHBondContact O-N 2.97Å; Q1180-R1183 VanDerWaalsContact O-N 3.11Å; R1183-R1185 VanDerWaalsContact C-N 3.28Å; R1183-R1185 PolarHBondContact O-N 3.22Å; R1183-E1186 WeakPolarHBondContact O-CA 3.35Å; R1183-E1186 WeakPolarHBondContact O-CB 3.15Å; R1183-E1186 PolarHBondContact O-N 2.91Å; R1183-D1187 PolarHBondContact O-N 2.97Å
1184	E	87.6	Confident	79.8	Confident	43 Å²	43	85.8 Å²	85.8	20%	0.201	42%	0.417	C	S	.	.	H	α-helix	trans	-58.5	-39.3	177	-68.9	167.8	-173.6	0	0	112.4	K891 Q1180 E1186 A1188	K891-E1184 WeakPolarHBondContact CE-OE2 3.32Å; K891-E1184 IonicContact NZ-OE1 2.84Å; K891-E1184 PolarHBondContact NZ-OE1 3Å; K891-E1184 IonicContact NZ-OE2 3.27Å; K891-E1184 PolarHBondContact NZ-OE2 2.99Å; Q1180-E1184 WeakPolarHBondContact CG-OE1 3.29Å; Q1180-E1184 PolarHBondContact NE2-OE1 3.28Å; Q1180-E1184 WeakPolarHBondContact O-CG 3.47Å; Q1180-E1184 PolarHBondContact O-N 2.86Å; E1184-E1186 VanDerWaalsContact C-N 3.34Å; E1184-A1188 VanDerWaalsContact O-CB 3.25Å; E1184-A1188 WeakPolarHBondContact O-CB 3.11Å; E1184-A1188 PolarHBondContact O-N 2.96Å
1185	R	85.4	Confident	77.1	Confident	156 Å²	156	90.6 Å²	90.6	59%	0.589	44%	0.443	S	S	*	.	H	α-helix	trans	-68.6	-31.7	175.1	-77.4	-178.5	-70.3	164.7	-5.1	113	E1181 K1182 R1183 K1189	E1181-R1185 WeakPolarHBondContact O-CG 3.43Å; E1181-R1185 PolarHBondContact O-N 3.11Å; E1181-R1185 PolarHBondContact O-NE 3Å; K1182-R1185 PolarHBondContact O-N 2.9Å; R1183-R1185 VanDerWaalsContact C-N 3.28Å; R1183-R1185 PolarHBondContact O-N 3.22Å; R1185-K1189 VanDerWaalsContact O-CG 3.3Å; R1185-K1189 WeakPolarHBondContact O-CG 3.39Å; R1185-K1189 PolarHBondContact O-N 2.84Å
1186	E	86.2	Confident	74.4	Confident	92 Å²	92	93.7 Å²	93.7	43%	0.43	45%	0.45	S	S	.	.	H	α-helix	trans	-73	-45.5	175.9	-73	170.8	178.4	0	0	110.8	K1182 R1183 E1184 A1188 K1189 M1190	K1182-E1186 WeakPolarHBondContact CE-OE1 3.26Å; K1182-E1186 WeakPolarHBondContact O-CG 3.49Å; K1182-E1186 PolarHBondContact O-N 2.97Å; R1183-E1186 WeakPolarHBondContact O-CA 3.35Å; R1183-E1186 WeakPolarHBondContact O-CB 3.15Å; R1183-E1186 PolarHBondContact O-N 2.91Å; E1184-E1186 VanDerWaalsContact C-N 3.34Å; E1186-A1188 VanDerWaalsContact C-N 3.33Å; E1186-A1188 PolarHBondContact O-N 2.97Å; E1186-K1189 WeakPolarHBondContact O-CA 3.39Å; E1186-K1189 WeakPolarHBondContact O-CB 3.29Å; E1186-K1189 PolarHBondContact O-N 2.92Å; E1186-M1190 WeakPolarHBondContact O-CG 3.27Å; E1186-M1190 PolarHBondContact O-N 3.36Å
1187	D	81.9	Confident	71.9	Confident	89 Å²	89	95.9 Å²	95.9	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-60.6	-44	176.1	-66.7	-22.8	0	0	0	111	R1183 K1189 M1190 S1191	R1183-D1187 PolarHBondContact O-N 2.97Å; D1187-K1189 PolarHBondContact O-N 2.98Å; D1187-M1190 PolarHBondContact O-N 2.94Å; D1187-S1191 PolarHBondContact O-N 2.83Å
1188	A	75.7	Confident	69.4	Low	58 Å²	58	104.1 Å²	104.1	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-25.3	174.3	0	0	0	0	0	113.2	E1184 E1186 F1192	E1184-A1188 VanDerWaalsContact O-CB 3.25Å; E1184-A1188 WeakPolarHBondContact O-CB 3.11Å; E1184-A1188 PolarHBondContact O-N 2.96Å; E1186-A1188 VanDerWaalsContact C-N 3.33Å; E1186-A1188 PolarHBondContact O-N 2.97Å; A1188-F1192 WeakPolarHBondContact O-CD2 3.39Å; A1188-F1192 WeakPolarHBondContact O-CE2 3.31Å
1189	K	73	Confident	66.3	Low	145 Å²	145	108.7 Å²	108.7	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-85.3	-37.4	174.4	-75.8	173	-177	179.3	0	112.5	R1185 E1186 D1187 S1191 F1192	R1185-K1189 VanDerWaalsContact O-CG 3.3Å; R1185-K1189 WeakPolarHBondContact O-CG 3.39Å; R1185-K1189 PolarHBondContact O-N 2.84Å; E1186-K1189 WeakPolarHBondContact O-CA 3.39Å; E1186-K1189 WeakPolarHBondContact O-CB 3.29Å; E1186-K1189 PolarHBondContact O-N 2.92Å; D1187-K1189 PolarHBondContact O-N 2.98Å; K1189-S1191 VanDerWaalsContact C-N 3.34Å; K1189-S1191 PolarHBondContact O-N 3.21Å; K1189-F1192 WeakPolarHBondContact O-CB 3.21Å; K1189-F1192 PolarHBondContact O-N 3.07Å; K1189-F1192 VanDerWaalsContact O-N 3.09Å
1190	M	59.7	Low	63.3	Low	115 Å²	115	113 Å²	113	57%	0.567	54%	0.544	S	S	*	.	H	α-helix	trans	-65.6	-36.2	-177.4	-72.7	-137.8	-66.8	0	0	112.6	E1186 D1187 F1192 N1193 E1194	E1186-M1190 WeakPolarHBondContact O-CG 3.27Å; E1186-M1190 PolarHBondContact O-N 3.36Å; D1187-M1190 PolarHBondContact O-N 2.94Å; M1190-F1192 PolarHBondContact O-N 3.29Å; M1190-N1193 PolarHBondContact O-N 3.05Å; M1190-E1194 PolarHBondContact O-N 3.3Å
1191	S	55.2	Low	60.5	Low	89 Å²	89	121.6 Å²	121.6	62%	0.622	58%	0.584	S	S	*	*	H	α-helix	trans	-52.4	-23.3	171.5	-173.3	0	0	0	0	113.3	D1187 K1189	D1187-S1191 PolarHBondContact O-N 2.83Å; K1189-S1191 VanDerWaalsContact C-N 3.34Å; K1189-S1191 PolarHBondContact O-N 3.21Å
1192	F	44.8	Very low	57.7	Low	106 Å²	106	122.7 Å²	122.7	47%	0.465	61%	0.607	S	S	.	*	H	α-helix	trans	-96	-16.4	177.7	-66.7	-84.3	0	0	0	115.6	A1188 K1189 M1190	A1188-F1192 WeakPolarHBondContact O-CD2 3.39Å; A1188-F1192 WeakPolarHBondContact O-CE2 3.31Å; K1189-F1192 WeakPolarHBondContact O-CB 3.21Å; K1189-F1192 PolarHBondContact O-N 3.07Å; K1189-F1192 VanDerWaalsContact O-N 3.09Å; M1190-F1192 PolarHBondContact O-N 3.29Å
1193	N	43.4	Very low	55	Low	94 Å²	94	119.4 Å²	119.4	50%	0.503	60%	0.599	S	S	.	*	H	α-helix	trans	-97.8	-25.1	-173.3	-93.4	-10.9	0	0	0	114.2	M1190 N1195 K1196	M1190-N1193 PolarHBondContact O-N 3.05Å; N1193-N1195 PolarHBondContact O-N 3.46Å; N1193-K1196 PolarHBondContact O-N 2.8Å
1194	E	41.5	Very low	52.7	Low	163 Å²	163	117.1 Å²	117.1	76%	0.762	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-62.3	-24.7	178	-72.3	-170.8	154	0	0	112.9	M1190 K1196	M1190-E1194 PolarHBondContact O-N 3.3Å; E1194-K1196 VanDerWaalsContact C-N 3.3Å; E1194-K1196 PolarHBondContact O-N 3.25Å
1195	N	39.6	Very low	50.6	Low	131 Å²	131	119.5 Å²	119.5	70%	0.701	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-77.6	-4.4	175.1	-76.2	-28.2	0	0	0	114.9	N1193	N1193-N1195 PolarHBondContact O-N 3.46Å
1196	K	39.4	Very low	48.8	Very low	119 Å²	119	118.3 Å²	118.3	52%	0.517	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-85.5	-13.9	-179.9	-79.6	-178.5	179.3	167	0	114.6	N1193 E1194 H1198	N1193-K1196 PolarHBondContact O-N 2.8Å; E1194-K1196 VanDerWaalsContact C-N 3.3Å; E1194-K1196 PolarHBondContact O-N 3.25Å; K1196-H1198 PolarHBondContact O-N 3.04Å
1197	A	43.4	Very low	47	Very low	91 Å²	91	118.2 Å²	118.2	75%	0.752	62%	0.623	S	S	*	*	S	Bend	trans	-72.4	-14.9	-179.2	0	0	0	0	0	113.8
1198	H	42.1	Very low	45.8	Very low	176 Å²	176	120 Å²	120	82%	0.815	63%	0.626	S	S	*	*	S	Bend	trans	-116.8	-5.1	-176.1	-94.1	-54.6	0	0	0	116.9	K1196	K1196-H1198 PolarHBondContact O-N 3.04Å
1199	W	31	Very low	45.5	Very low	174 Å²	174	121.2 Å²	121.2	66%	0.659	62%	0.622	S	S	*	*			trans	-120	88.9	-172.5	-77.6	39	0	0	0	111.6
1200	K	31.9	Very low	45.4	Very low	206 Å²	206	116.9 Å²	116.9	90%	0.896	61%	0.605	S	S	*	*			trans	-71.9	128.2	161.1	-85.3	-178.2	175.7	177	0	108.8
1201	Q	33.7	Very low	46	Very low	201 Å²	201	116.8 Å²	116.8	94%	0.939	61%	0.607	S	S	*	*	S	Bend	trans	64.3	91.1	171	-67.2	178.4	-23.7	0	0	116.3
1202	G	34.5	Very low	47	Very low	66 Å²	66	115.7 Å²	115.7	68%	0.68	60%	0.597	S	S	*	*			trans	158.9	-12.5	159.9	0	0	0	0	0	119.5
1203	S	35.3	Very low	48.7	Very low	48 Å²	48	112.5 Å²	112.5	34%	0.336	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.4	23.3	-158.3	73.4	0	0	0	0	118.6	V1205	S1203-V1205 VanDerWaalsContact C-N 3.29Å
1204	S	42.3	Very low	50.3	Low	98 Å²	98	115.6 Å²	115.6	69%	0.685	60%	0.6	S	S	*	*	H	α-helix	trans	-76.3	-16.6	171	68.2	0	0	0	0	113.5
1205	V	42	Very low	52.1	Low	93 Å²	93	114.9 Å²	114.9	56%	0.564	60%	0.601	S	S	*	*	H	α-helix	trans	-79.5	-28.5	-172.3	-178.4	0	0	0	0	113.2	S1203	S1203-V1205 VanDerWaalsContact C-N 3.29Å
1206	Q	47.7	Very low	54	Low	130 Å²	130	109.6 Å²	109.6	61%	0.607	58%	0.577	S	S	*	*	H	α-helix	trans	-77.2	-33.2	-175	-77.8	176.9	-16.7	0	0	113.7	K1208 Q1209	Q1206-K1208 PolarHBondContact O-N 3.19Å; Q1206-Q1209 PolarHBondContact O-N 3.44Å
1207	Q	48.9	Very low	56.3	Low	91 Å²	91	108.4 Å²	108.4	43%	0.425	58%	0.579	S	S	.	*	H	α-helix	trans	-68.5	-32.8	179.8	-82.4	-177	-27.7	0	0	113.4	Q1209	Q1207-Q1209 PolarHBondContact O-N 2.75Å
1208	K	57.5	Low	58.3	Low	125 Å²	125	108 Å²	108	54%	0.543	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-16.4	179.1	-75.3	-161.2	174	-152.3	0	113.5	R965 Q1206 E1214	R965-K1208 PolarHBondContact NH1-O 3.05Å; R965-K1208 VanDerWaalsContact NH1-O 3.09Å; Q1206-K1208 PolarHBondContact O-N 3.19Å; K1208-E1214 IonicContact NZ-OE1 3.2Å; K1208-E1214 PolarHBondContact NZ-OE1 3.12Å; K1208-E1214 IonicContact NZ-OE2 2.85Å; K1208-E1214 PolarHBondContact NZ-OE2 2.92Å
1209	Q	69.4	Low	60.4	Low	84 Å²	84	101.4 Å²	101.4	39%	0.393	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.2	-176.7	-65.9	-172.4	14.3	0	0	114.4	Y958 R965 Q1206 Q1207	Y958-Q1209 VanDerWaalsContact CB-O 3.23Å; Y958-Q1209 WeakPolarHBondContact CB-O 3.4Å; Y958-Q1209 HydrophobicContact CD1-CB 4.03Å; Y958-Q1209 HydrophobicContact CE1-CB 4.23Å; R965-Q1209 WeakPolarHBondContact CD-O 3.29Å; R965-Q1209 PolarHBondContact NH1-O 2.95Å; Q1206-Q1209 PolarHBondContact O-N 3.44Å; Q1207-Q1209 PolarHBondContact O-N 2.75Å
1210	I	70	Confident	62.9	Low	55 Å²	55	99.3 Å²	99.3	28%	0.282	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-30	179.3	-55.5	167.7	0	0	0	111.3	T960 T963	T960-I1210 HydrophobicContact CG2-CD1 4.09Å; T960-I1210 HydrophobicContact CG2-CG1 4.5Å; T960-I1210 HydrophobicContact CG2-CG2 3.81Å; T963-I1210 WeakPolarHBondContact OG1-CG2 3.44Å
1211	L	72.5	Confident	65.1	Low	113 Å²	113	90.5 Å²	90.5	59%	0.592	50%	0.502	S	S	*	.	S	Bend	trans	-78.1	150.7	178.7	-67.5	168.5	0	0	0	111.9	R965	R965-L1211 PolarHBondContact NH1-O 3.08Å; R965-L1211 PolarHBondContact NH2-O 3.2Å
1212	P	77.2	Confident	67.2	Low	66 Å²	66	86.2 Å²	86.2	43%	0.429	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-49.6	146.5	172.1	-25.3	34	0	0	0	112.1	T922 E1214	T922-P1212 HydrophobicContact CG2-CB 4.07Å; T922-P1212 HydrophobicContact CG2-CG 4.07Å; P1212-E1214 PolarHBondContact O-N 3.21Å
1213	S	80.4	Confident	69	Low	38 Å²	38	83.7 Å²	83.7	27%	0.266	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-65.1	131.6	179.6	-61.2	0	0	0	0	110.5	E920 R965 N1215 G1216	E920-S1213 WeakPolarHBondContact OE1-CB 3.44Å; E920-S1213 PolarHBondContact OE1-N 2.74Å; E920-S1213 WeakPolarHBondContact OE2-CB 3.43Å; E920-S1213 PolarHBondContact OE2-N 3.31Å; E920-S1213 PolarHBondContact OE2-OG 3.33Å; R965-S1213 PolarHBondContact NH2-OG 3.35Å; S1213-N1215 PolarHBondContact O-N 3.16Å; S1213-N1215 VanDerWaalsContact O-N 3.12Å; S1213-G1216 PolarHBondContact O-N 3.14Å; S1213-G1216 VanDerWaalsContact O-N 3.1Å
1214	E	77.1	Confident	70.7	Confident	160 Å²	160	82.3 Å²	82.3	75%	0.748	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.2	178.1	-69.5	171.4	165.1	0	0	112.5	K1208 P1212	K1208-E1214 IonicContact NZ-OE1 3.2Å; K1208-E1214 PolarHBondContact NZ-OE1 3.12Å; K1208-E1214 IonicContact NZ-OE2 2.85Å; K1208-E1214 PolarHBondContact NZ-OE2 2.92Å; P1212-E1214 PolarHBondContact O-N 3.21Å
1215	N	78.4	Confident	72	Confident	148 Å²	148	84.6 Å²	84.6	79%	0.791	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	9.5	-177.9	-59.7	-18.5	0	0	0	113.9	S1213 V1217	S1213-N1215 PolarHBondContact O-N 3.16Å; S1213-N1215 VanDerWaalsContact O-N 3.12Å; N1215-V1217 PolarHBondContact O-N 3.44Å
1216	G	80	Confident	73.3	Confident	19 Å²	19	86.2 Å²	86.2	20%	0.196	45%	0.452	C	S	.	.			trans	-71.7	126.1	-179.8	0	0	0	0	0	111.8	S1213 P1218	S1213-G1216 PolarHBondContact O-N 3.14Å; S1213-G1216 VanDerWaalsContact O-N 3.1Å; G1216-P1218 WeakPolarHBondContact O-CD 3.37Å
1217	V	86.5	Confident	74.3	Confident	94 Å²	94	82 Å²	82	57%	0.57	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	112.6	172.9	-179.1	0	0	0	0	108.5	A912 R913 N1215 L1219	A912-V1217 CarbonylContact C-O 3.46Å; A912-V1217 VanDerWaalsContact CA-O 3.24Å; A912-V1217 WeakPolarHBondContact CA-O 3.36Å; A912-V1217 WeakPolarHBondContact CB-O 3.13Å; R913-V1217 PolarHBondContact N-O 3.3Å; R913-V1217 PolarHBondContact O-N 3.29Å; N1215-V1217 PolarHBondContact O-N 3.44Å; V1217-L1219 PolarHBondContact O-N 2.76Å
1218	P	85.9	Confident	75.5	Confident	82 Å²	82	84.5 Å²	84.5	53%	0.532	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.4	-175.3	30.8	-35.9	0	0	0	110.5	G1216 M1220	G1216-P1218 WeakPolarHBondContact O-CD 3.37Å; P1218-M1220 HydrophobicContact CB-CE 3.75Å; P1218-M1220 HydrophobicContact CG-CE 4.34Å
1219	L	86.4	Confident	76.3	Confident	38 Å²	38	82.8 Å²	82.8	20%	0.199	43%	0.431	C	S	.	.			trans	-93.3	106.9	176.4	-62.5	174.1	0	0	0	107.9	V911 L979 V982 H983 V1217	V911-L1219 HydrophobicContact CG1-CB 4.18Å; V911-L1219 HydrophobicContact CG2-CD1 4.35Å; V911-L1219 PolarHBondContact O-N 2.68Å; L979-L1219 HydrophobicContact CD2-CD1 3.72Å; L979-L1219 HydrophobicContact CD2-CD2 4.07Å; V982-L1219 HydrophobicContact CB-CD1 4.32Å; V982-L1219 HydrophobicContact CG1-CD1 4.14Å; V982-L1219 HydrophobicContact CG2-CD1 3.99Å; H983-L1219 PolarHBondContact CE1-O 3.22Å; V1217-L1219 PolarHBondContact O-N 2.76Å
1220	M	83.2	Confident	76.4	Confident	131 Å²	131	84.7 Å²	84.7	65%	0.645	44%	0.438	S	S	*	.			trans	-70.4	136.6	-178.6	-67.8	-64.8	91.7	0	0	111.2	P1218	P1218-M1220 HydrophobicContact CB-CE 3.75Å; P1218-M1220 HydrophobicContact CG-CE 4.34Å
1221	P	79.3	Confident	76.4	Confident	20 Å²	20	82.3 Å²	82.3	13%	0.13	43%	0.427	C	S	.	.			trans	-65	142.3	175.6	26.4	-32.1	0	0	0	110.8	F908	F908-P1221 HydrophobicContact CB-CB 3.94Å; F908-P1221 HydrophobicContact CB-CG 3.98Å; F908-P1221 HydrophobicContact CD1-CB 3.35Å; F908-P1221 HydrophobicContact CD1-CG 4.25Å; F908-P1221 HydrophobicContact CD2-CB 3.71Å; F908-P1221 HydrophobicContact CD2-CG 3.81Å; F908-P1221 HydrophobicContact CE1-CB 3.61Å; F908-P1221 HydrophobicContact CE2-CB 3.94Å; F908-P1221 HydrophobicContact CE2-CG 4.3Å; F908-P1221 HydrophobicContact CG-CB 3.39Å; F908-P1221 HydrophobicContact CG-CG 3.76Å; F908-P1221 HydrophobicContact CZ-CB 3.89Å
1222	V	76	Confident	76.4	Confident	112 Å²	112	82.6 Å²	82.6	68%	0.679	43%	0.425	S	S	*	.			trans	-116.7	122.4	167.8	-179.3	0	0	0	0	107.5	T1224	V1222-T1224 PolarHBondContact O-N 3.09Å
1223	V	72.6	Confident	76.3	Confident	13 Å²	13	86.3 Å²	86.3	8%	0.079	44%	0.435	C	S	.	.			trans	-60.2	108.7	172.8	-178.1	0	0	0	0	108.4	E898 V900 F908 F1227 R1228	E898-V1223 WeakPolarHBondContact OE2-CG2 3.27Å; V900-V1223 HydrophobicContact CG1-CG1 4Å; V900-V1223 HydrophobicContact CG2-CG1 3.76Å; V900-V1223 HydrophobicContact CG2-CG2 4.18Å; F908-V1223 HydrophobicContact CE2-CG2 4.22Å; F908-V1223 HydrophobicContact CZ-CG2 4.03Å; V1223-F1227 HydrophobicContact CG1-CB 4.22Å; V1223-R1228 HydrophobicContact CG1-CG 3.86Å
1224	T	72.1	Confident	75.7	Confident	18 Å²	18	86.2 Å²	86.2	11%	0.11	44%	0.436	C	S	.	.			trans	-62.9	148.3	-176.6	69.1	0	0	0	0	110.9	V1222 E1226 F1227 R1228	V1222-T1224 PolarHBondContact O-N 3.09Å; T1224-E1226 PolarHBondContact O-N 3.45Å; T1224-F1227 PolarHBondContact O-N 2.89Å; T1224-F1227 WeakPolarHBondContact OG1-CD2 3.31Å; T1224-F1227 PolarHBondContact OG1-N 2.86Å; T1224-R1228 PolarHBondContact O-N 2.85Å
1225	Q	68.9	Low	75.4	Confident	146 Å²	146	81.4 Å²	81.4	68%	0.682	42%	0.415	S	S	*	.	H	α-helix	trans	-58.7	-31.9	177.3	-159.8	-179.4	10.9	0	0	111.5	F1227 R1228 Q1229	Q1225-F1227 PolarHBondContact O-N 2.71Å; Q1225-R1228 PolarHBondContact O-N 3.32Å; Q1225-Q1229 WeakPolarHBondContact O-CB 3.21Å; Q1225-Q1229 VanDerWaalsContact O-CG 3.32Å; Q1225-Q1229 WeakPolarHBondContact O-CG 3.28Å; Q1225-Q1229 PolarHBondContact O-N 2.84Å
1226	E	69.6	Low	75.1	Confident	127 Å²	127	80.1 Å²	80.1	59%	0.593	40%	0.404	S	S	*	.	H	α-helix	trans	-59	-42.9	172.3	-73.1	-167.4	156.5	0	0	113	T1224 Q1229 K1230	T1224-E1226 PolarHBondContact O-N 3.45Å; E1226-Q1229 PolarHBondContact O-N 3.04Å; E1226-K1230 WeakPolarHBondContact O-CB 3.47Å; E1226-K1230 WeakPolarHBondContact O-CG 3.39Å; E1226-K1230 PolarHBondContact O-N 3.25Å
1227	F	68.7	Low	74.6	Confident	41 Å²	41	81.9 Å²	81.9	18%	0.18	42%	0.417	C	S	.	.	H	α-helix	trans	-66.3	-41	178.2	-97.6	-73.6	0	0	0	111.5	V906 Q989 V1223 T1224 Q1225 K1230 A1231	V906-F1227 HydrophobicContact CG2-CD1 4.05Å; V906-F1227 HydrophobicContact CG2-CE1 4.45Å; V906-F1227 HydrophobicContact CG2-CG 4.41Å; Q989-F1227 VanDerWaalsContact CD-CE2 3.47Å; Q989-F1227 HydrophobicContact CG-CE2 3.99Å; Q989-F1227 HydrophobicContact CG-CZ 4.49Å; V1223-F1227 HydrophobicContact CG1-CB 4.22Å; T1224-F1227 PolarHBondContact O-N 2.89Å; T1224-F1227 WeakPolarHBondContact OG1-CD2 3.31Å; T1224-F1227 PolarHBondContact OG1-N 2.86Å; Q1225-F1227 PolarHBondContact O-N 2.71Å; F1227-K1230 PolarHBondContact O-N 3.25Å; F1227-A1231 WeakPolarHBondContact O-CB 3.28Å; F1227-A1231 PolarHBondContact O-N 3.2Å
1228	R	74.5	Confident	73.6	Confident	145 Å²	145	79.1 Å²	79.1	55%	0.547	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-48.9	174.3	-65.6	-172.8	-177.7	175.5	0.7	111.5	V900 V1223 T1224 Q1225 K1230 A1231 E1232	V900-R1228 HydrophobicContact CG1-CG 4.03Å; V1223-R1228 HydrophobicContact CG1-CG 3.86Å; T1224-R1228 PolarHBondContact O-N 2.85Å; Q1225-R1228 PolarHBondContact O-N 3.32Å; R1228-K1230 PolarHBondContact O-N 3.48Å; R1228-A1231 PolarHBondContact O-N 2.87Å; R1228-E1232 WeakPolarHBondContact O-CG 3.31Å; R1228-E1232 PolarHBondContact O-N 3Å
1229	Q	73.6	Confident	72.7	Confident	89 Å²	89	80.3 Å²	80.3	42%	0.416	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-38.9	178.3	-72.8	178.5	8.1	0	0	112.7	Q1225 E1226 E1232 K1233	Q1225-Q1229 WeakPolarHBondContact O-CB 3.21Å; Q1225-Q1229 VanDerWaalsContact O-CG 3.32Å; Q1225-Q1229 WeakPolarHBondContact O-CG 3.28Å; Q1225-Q1229 PolarHBondContact O-N 2.84Å; E1226-Q1229 PolarHBondContact O-N 3.04Å; Q1229-E1232 PolarHBondContact O-N 2.65Å; Q1229-K1233 WeakPolarHBondContact O-CB 3.49Å; Q1229-K1233 WeakPolarHBondContact O-CG 3.45Å; Q1229-K1233 PolarHBondContact O-N 3.12Å
1230	K	71.9	Confident	71.8	Confident	123 Å²	123	86.7 Å²	86.7	54%	0.535	42%	0.419	S	S	.	.	H	α-helix	trans	-64.3	-40.1	174.6	-81.1	177	-179.7	168.9	0	111.6	E1226 F1227 R1228 A1234	E1226-K1230 WeakPolarHBondContact O-CB 3.47Å; E1226-K1230 WeakPolarHBondContact O-CG 3.39Å; E1226-K1230 PolarHBondContact O-N 3.25Å; F1227-K1230 PolarHBondContact O-N 3.25Å; R1228-K1230 PolarHBondContact O-N 3.48Å; K1230-A1234 WeakPolarHBondContact O-CB 3.4Å; K1230-A1234 PolarHBondContact O-N 3.17Å; K1230-A1234 VanDerWaalsContact O-N 3.15Å
1231	A	68.7	Low	70.6	Confident	5 Å²	5	86.7 Å²	86.7	4%	0.041	42%	0.417	C	S	.	.	H	α-helix	trans	-66.7	-45.6	176.2	0	0	0	0	0	111.6	V900 F1227 R1228 A1234 L1235	V900-A1231 HydrophobicContact CG1-CB 4.24Å; F1227-A1231 WeakPolarHBondContact O-CB 3.28Å; F1227-A1231 PolarHBondContact O-N 3.2Å; R1228-A1231 PolarHBondContact O-N 2.87Å; A1231-A1234 PolarHBondContact O-N 3.43Å; A1231-L1235 PolarHBondContact O-N 3.42Å
1232	E	74.2	Confident	69.6	Low	119 Å²	119	91.2 Å²	91.2	56%	0.556	43%	0.432	S	S	*	.	H	α-helix	trans	-61.9	-46.3	176.6	-77	177.9	177.1	0	0	112.5	R1228 Q1229 A1234 L1235 Q1236	R1228-E1232 WeakPolarHBondContact O-CG 3.31Å; R1228-E1232 PolarHBondContact O-N 3Å; Q1229-E1232 PolarHBondContact O-N 2.65Å; E1232-A1234 VanDerWaalsContact C-N 3.31Å; E1232-A1234 PolarHBondContact O-N 2.92Å; E1232-L1235 WeakPolarHBondContact O-CB 3.38Å; E1232-L1235 PolarHBondContact O-N 3.15Å; E1232-Q1236 WeakPolarHBondContact O-CG 3.48Å; E1232-Q1236 PolarHBondContact O-N 3.22Å
1233	K	74.5	Confident	68.6	Low	145 Å²	145	87.2 Å²	87.2	63%	0.63	41%	0.41	S	S	*	.	H	α-helix	trans	-59.7	-41.7	176.7	-80.1	-178.6	179	177.8	0	111.9	Q1229 Q1236 A1237	Q1229-K1233 WeakPolarHBondContact O-CB 3.49Å; Q1229-K1233 WeakPolarHBondContact O-CG 3.45Å; Q1229-K1233 PolarHBondContact O-N 3.12Å; K1233-Q1236 PolarHBondContact O-N 2.84Å; K1233-A1237 WeakPolarHBondContact O-CB 3.42Å; K1233-A1237 PolarHBondContact O-N 3Å
1234	A	68.2	Low	67.6	Low	36 Å²	36	91.4 Å²	91.4	30%	0.298	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-42.9	176.9	0	0	0	0	0	111.6	K1230 A1231 E1232 A1237 K1238	K1230-A1234 WeakPolarHBondContact O-CB 3.4Å; K1230-A1234 PolarHBondContact O-N 3.17Å; K1230-A1234 VanDerWaalsContact O-N 3.15Å; A1231-A1234 PolarHBondContact O-N 3.43Å; E1232-A1234 VanDerWaalsContact C-N 3.31Å; E1232-A1234 PolarHBondContact O-N 2.92Å; A1234-A1237 PolarHBondContact O-N 3.1Å; A1234-K1238 WeakPolarHBondContact O-CB 3.23Å; A1234-K1238 PolarHBondContact O-N 3.39Å
1235	L	70.6	Confident	66.5	Low	59 Å²	59	94.3 Å²	94.3	31%	0.309	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-45.8	176	-165.3	82.2	0	0	0	111.5	A1231 E1232 K1238 M1239	A1231-L1235 PolarHBondContact O-N 3.42Å; E1232-L1235 WeakPolarHBondContact O-CB 3.38Å; E1232-L1235 PolarHBondContact O-N 3.15Å; L1235-K1238 PolarHBondContact O-N 2.76Å; L1235-M1239 HydrophobicContact CD2-CE 4.4Å; L1235-M1239 WeakPolarHBondContact O-CG 3.38Å; L1235-M1239 PolarHBondContact O-N 3.24Å
1236	Q	72.2	Confident	65.3	Low	120 Å²	120	91.1 Å²	91.1	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-62.9	-43.2	178.7	-75	179.4	1.2	0	0	112.6	E1232 K1233 K1238 M1239 R1240	E1232-Q1236 WeakPolarHBondContact O-CG 3.48Å; E1232-Q1236 PolarHBondContact O-N 3.22Å; K1233-Q1236 PolarHBondContact O-N 2.84Å; Q1236-K1238 VanDerWaalsContact C-N 3.25Å; Q1236-K1238 PolarHBondContact O-N 3.17Å; Q1236-M1239 PolarHBondContact O-N 3.22Å; Q1236-R1240 PolarHBondContact O-N 2.93Å
1237	A	69.1	Low	64.3	Low	57 Å²	57	89.4 Å²	89.4	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-59.8	-40.1	176.8	0	0	0	0	0	111.5	K1233 A1234 R1240 Q1241	K1233-A1237 WeakPolarHBondContact O-CB 3.42Å; K1233-A1237 PolarHBondContact O-N 3Å; A1234-A1237 PolarHBondContact O-N 3.1Å; A1237-R1240 WeakPolarHBondContact O-CB 3.32Å; A1237-R1240 PolarHBondContact O-N 3.39Å; A1237-Q1241 PolarHBondContact O-N 3.44Å
1238	K	65.5	Low	62.9	Low	36 Å²	36	91.8 Å²	91.8	16%	0.157	46%	0.455	C	S	.	.	H	α-helix	trans	-73.1	-39.7	179.8	-152	-176.6	-167.3	-177	0	112.8	E903 A1234 L1235 Q1236 R1240 Q1241 R1242	E903-K1238 IonicContact OE1-NZ 2.72Å; E903-K1238 PolarHBondContact OE1-NZ 3.13Å; E903-K1238 IonicContact OE2-NZ 3.16Å; E903-K1238 PolarHBondContact OE2-NZ 3.22Å; A1234-K1238 WeakPolarHBondContact O-CB 3.23Å; A1234-K1238 PolarHBondContact O-N 3.39Å; L1235-K1238 PolarHBondContact O-N 2.76Å; Q1236-K1238 VanDerWaalsContact C-N 3.25Å; Q1236-K1238 PolarHBondContact O-N 3.17Å; K1238-R1240 VanDerWaalsContact C-N 3.27Å; K1238-R1240 PolarHBondContact O-N 2.97Å; K1238-Q1241 PolarHBondContact O-N 3.43Å; K1238-R1242 PolarHBondContact O-N 2.82Å
1239	M	67.7	Low	61.5	Low	107 Å²	107	90.2 Å²	90.2	53%	0.527	46%	0.456	S	S	.	.	H	α-helix	trans	-60.7	-38.9	171.6	-76.8	-171.2	164.6	0	0	111.3	L1235 Q1236 R1242 A1243	L1235-M1239 HydrophobicContact CD2-CE 4.4Å; L1235-M1239 WeakPolarHBondContact O-CG 3.38Å; L1235-M1239 PolarHBondContact O-N 3.24Å; Q1236-M1239 PolarHBondContact O-N 3.22Å; M1239-R1242 PolarHBondContact O-N 3.4Å; M1239-A1243 VanDerWaalsContact O-CB 3.28Å; M1239-A1243 WeakPolarHBondContact O-CB 3.19Å; M1239-A1243 PolarHBondContact O-N 3.08Å
1240	R	66.4	Low	59.9	Low	172 Å²	172	90.9 Å²	90.9	65%	0.649	46%	0.458	S	S	*	.	H	α-helix	trans	-62.1	-46.3	171.5	-80.2	-177.7	177.2	-179.9	-1	112.2	Q1236 A1237 K1238 A1243 I1244	Q1236-R1240 PolarHBondContact O-N 2.93Å; A1237-R1240 WeakPolarHBondContact O-CB 3.32Å; A1237-R1240 PolarHBondContact O-N 3.39Å; K1238-R1240 VanDerWaalsContact C-N 3.27Å; K1238-R1240 PolarHBondContact O-N 2.97Å; R1240-A1243 PolarHBondContact O-N 3.4Å; R1240-I1244 WeakPolarHBondContact O-CB 3.32Å; R1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; R1240-I1244 VanDerWaalsContact O-CG1 3.23Å; R1240-I1244 WeakPolarHBondContact O-CG1 3.47Å; R1240-I1244 PolarHBondContact O-N 3.11Å
1241	Q	57.4	Low	58.3	Low	130 Å²	130	87 Å²	87	61%	0.607	45%	0.448	S	S	*	.	H	α-helix	trans	-60.3	-47	176	-90.9	-179.9	-25.4	0	0	112.4	A1237 K1238 A1243 I1244 V1245	A1237-Q1241 PolarHBondContact O-N 3.44Å; K1238-Q1241 PolarHBondContact O-N 3.43Å; Q1241-A1243 VanDerWaalsContact C-N 3.32Å; Q1241-A1243 PolarHBondContact O-N 3.2Å; Q1241-I1244 PolarHBondContact O-N 3.32Å; Q1241-V1245 WeakPolarHBondContact O-CG2 3.22Å; Q1241-V1245 PolarHBondContact O-N 2.88Å
1242	R	59.3	Low	56.9	Low	115 Å²	115	93.2 Å²	93.2	43%	0.434	48%	0.476	S	S	.	.	H	α-helix	trans	-60.6	-42.2	176.3	-76.8	-175.2	174.9	-177.5	-3.9	111.7	E1010 K1238 M1239 V1245 S1246	E1010-R1242 IonicContact OE1-CZ 3.17Å; E1010-R1242 IonicContact OE1-NH1 2.77Å; E1010-R1242 PolarHBondContact OE1-NH1 3.49Å; E1010-R1242 IonicContact OE1-NH2 3.18Å; E1010-R1242 PolarHBondContact OE1-NH2 3.48Å; K1238-R1242 PolarHBondContact O-N 2.82Å; M1239-R1242 PolarHBondContact O-N 3.4Å; R1242-V1245 PolarHBondContact O-N 3.24Å; R1242-S1246 WeakPolarHBondContact O-CB 3.45Å; R1242-S1246 PolarHBondContact O-N 3.37Å; R1242-S1246 PolarHBondContact O-OG 2.86Å
1243	A	54.5	Low	55	Low	28 Å²	28	90 Å²	90	23%	0.231	47%	0.467	C	S	.	.	H	α-helix	trans	-61.8	-43.9	175.9	0	0	0	0	0	111.5	M1239 R1240 Q1241 S1246 V1247	M1239-A1243 VanDerWaalsContact O-CB 3.28Å; M1239-A1243 WeakPolarHBondContact O-CB 3.19Å; M1239-A1243 PolarHBondContact O-N 3.08Å; R1240-A1243 PolarHBondContact O-N 3.4Å; Q1241-A1243 VanDerWaalsContact C-N 3.32Å; Q1241-A1243 PolarHBondContact O-N 3.2Å; A1243-S1246 PolarHBondContact O-N 2.92Å; A1243-V1247 WeakPolarHBondContact O-CB 3.49Å; A1243-V1247 WeakPolarHBondContact O-CG2 3.36Å; A1243-V1247 PolarHBondContact O-N 3.12Å
1244	I	51.9	Low	53.1	Low	102 Å²	102	84.8 Å²	84.8	52%	0.523	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-45.4	177.3	-69.7	163.3	0	0	0	111.2	R1240 Q1241 V1247 L1248	R1240-I1244 WeakPolarHBondContact O-CB 3.32Å; R1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; R1240-I1244 VanDerWaalsContact O-CG1 3.23Å; R1240-I1244 WeakPolarHBondContact O-CG1 3.47Å; R1240-I1244 PolarHBondContact O-N 3.11Å; Q1241-I1244 PolarHBondContact O-N 3.32Å; I1244-V1247 PolarHBondContact O-N 3.23Å; I1244-L1248 HydrophobicContact CG2-CD1 3.84Å; I1244-L1248 WeakPolarHBondContact O-CB 3.4Å; I1244-L1248 PolarHBondContact O-N 2.81Å
1245	V	48.8	Very low	51.6	Low	79 Å²	79	90.3 Å²	90.3	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-44.4	178.1	173.4	0	0	0	0	111.1	Q1241 R1242 V1247 L1248 I1249	Q1241-V1245 WeakPolarHBondContact O-CG2 3.22Å; Q1241-V1245 PolarHBondContact O-N 2.88Å; R1242-V1245 PolarHBondContact O-N 3.24Å; V1245-V1247 VanDerWaalsContact C-N 3.3Å; V1245-V1247 PolarHBondContact O-N 2.83Å; V1245-L1248 PolarHBondContact O-N 2.72Å; V1245-I1249 HydrophobicContact CG1-CD1 3.78Å; V1245-I1249 HydrophobicContact CG1-CG1 4.34Å; V1245-I1249 WeakPolarHBondContact O-CG1 3.33Å; V1245-I1249 PolarHBondContact O-N 3.1Å
1246	S	44.8	Very low	49.7	Very low	79 Å²	79	91.5 Å²	91.5	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-61.8	-38	174.9	-72.7	0	0	0	0	112.4	R1242 A1243 F1250	R1242-S1246 WeakPolarHBondContact O-CB 3.45Å; R1242-S1246 PolarHBondContact O-N 3.37Å; R1242-S1246 PolarHBondContact O-OG 2.86Å; A1243-S1246 PolarHBondContact O-N 2.92Å; S1246-F1250 VanDerWaalsContact O-CB 3.25Å; S1246-F1250 WeakPolarHBondContact O-CB 3.44Å; S1246-F1250 PolarHBondContact O-N 3.37Å
1247	V	47.5	Very low	47.9	Very low	90 Å²	90	90.1 Å²	90.1	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-67.1	-39.3	174.4	170.2	0	0	0	0	111.2	A1243 I1244 V1245 F1250 A1251	A1243-V1247 WeakPolarHBondContact O-CB 3.49Å; A1243-V1247 WeakPolarHBondContact O-CG2 3.36Å; A1243-V1247 PolarHBondContact O-N 3.12Å; I1244-V1247 PolarHBondContact O-N 3.23Å; V1245-V1247 VanDerWaalsContact C-N 3.3Å; V1245-V1247 PolarHBondContact O-N 2.83Å; V1247-F1250 PolarHBondContact O-N 3.43Å; V1247-A1251 VanDerWaalsContact O-CB 3.31Å; V1247-A1251 WeakPolarHBondContact O-CB 3.09Å; V1247-A1251 PolarHBondContact O-N 2.89Å
1248	L	40.3	Very low	46.3	Very low	92 Å²	92	89.6 Å²	89.6	48%	0.482	47%	0.466	S	S	.	.	H	α-helix	trans	-67.3	-40.6	176.3	-94.2	152.4	0	0	0	113	I1244 V1245 F1250 A1251 H1252	I1244-L1248 HydrophobicContact CG2-CD1 3.84Å; I1244-L1248 WeakPolarHBondContact O-CB 3.4Å; I1244-L1248 PolarHBondContact O-N 2.81Å; V1245-L1248 PolarHBondContact O-N 2.72Å; L1248-F1250 VanDerWaalsContact C-N 3.34Å; L1248-A1251 PolarHBondContact O-N 2.96Å; L1248-H1252 PolarHBondContact O-N 2.8Å; L1248-H1252 PolarHBondContact O-ND1 2.83Å
1249	I	43.4	Very low	44.8	Very low	111 Å²	111	92.9 Å²	92.9	57%	0.569	49%	0.485	S	S	*	.	H	α-helix	trans	-65	-41.5	174.3	-68.1	169.6	0	0	0	109.9	V1245 H1252 S1253	V1245-I1249 HydrophobicContact CG1-CD1 3.78Å; V1245-I1249 HydrophobicContact CG1-CG1 4.34Å; V1245-I1249 WeakPolarHBondContact O-CG1 3.33Å; V1245-I1249 PolarHBondContact O-N 3.1Å; I1249-H1252 PolarHBondContact O-N 3.41Å; I1249-S1253 PolarHBondContact O-N 3.48Å; I1249-S1253 PolarHBondContact O-OG 2.92Å
1250	F	41.2	Very low	43.3	Very low	103 Å²	103	95.9 Å²	95.9	45%	0.452	49%	0.491	S	S	.	.	H	α-helix	trans	-67.5	-34.4	175.3	-168.1	-93.5	0	0	0	112.8	S1246 V1247 L1248 S1253 S1254 Y1358	S1246-F1250 VanDerWaalsContact O-CB 3.25Å; S1246-F1250 WeakPolarHBondContact O-CB 3.44Å; S1246-F1250 PolarHBondContact O-N 3.37Å; V1247-F1250 PolarHBondContact O-N 3.43Å; L1248-F1250 VanDerWaalsContact C-N 3.34Å; F1250-S1253 WeakPolarHBondContact CA-OG 3.44Å; F1250-S1253 PolarHBondContact O-OG 3.3Å; F1250-S1253 VanDerWaalsContact O-OG 3.11Å; F1250-S1254 VanDerWaalsContact O-CB 3.31Å; F1250-S1254 WeakPolarHBondContact O-CB 3.34Å; F1250-S1254 PolarHBondContact O-N 2.91Å; F1250-S1254 PolarHBondContact O-OG 3.47Å; F1250-Y1358 HydrophobicContact CD1-CE2 4.32Å; F1250-Y1358 AromaticContact CE1-CE2 3.77Å; F1250-Y1358 HydrophobicContact CE1-CE2 3.77Å; F1250-Y1358 AromaticContact CE1-CZ 3.85Å; F1250-Y1358 WeakPolarHBondContact CE1-OH 3.11Å; F1250-Y1358 VanDerWaalsContact CZ-OH 3.28Å; F1250-Y1358 WeakPolarHBondContact CZ-OH 3.42Å
1251	A	38.8	Very low	41.7	Very low	41 Å²	41	92.8 Å²	92.8	34%	0.339	49%	0.486	S	S	.	.	H	α-helix	trans	-68.8	-35.5	174.1	0	0	0	0	0	112.5	V1247 L1248 S1254 K1255	V1247-A1251 VanDerWaalsContact O-CB 3.31Å; V1247-A1251 WeakPolarHBondContact O-CB 3.09Å; V1247-A1251 PolarHBondContact O-N 2.89Å; L1248-A1251 PolarHBondContact O-N 2.96Å; A1251-S1254 VanDerWaalsContact CA-OG 3.29Å; A1251-S1254 WeakPolarHBondContact CA-OG 3.23Å; A1251-S1254 PolarHBondContact O-OG 2.68Å; A1251-K1255 PolarHBondContact O-N 3.25Å
1252	H	38.7	Very low	40.9	Very low	136 Å²	136	90.3 Å²	90.3	63%	0.63	48%	0.483	S	S	*	.	H	α-helix	trans	-73.7	-37.3	175.4	-81.4	77.3	0	0	0	112.6	L1248 I1249	L1248-H1252 PolarHBondContact O-N 2.8Å; L1248-H1252 PolarHBondContact O-ND1 2.83Å; I1249-H1252 PolarHBondContact O-N 3.41Å
1253	S	33.9	Very low	40	Very low	53 Å²	53	88.9 Å²	88.9	37%	0.371	49%	0.487	S	S	.	.	H	α-helix	trans	-73.5	-30.5	175.6	64.5	0	0	0	0	112.9	I1249 F1250 S1256 I1257	I1249-S1253 PolarHBondContact O-N 3.48Å; I1249-S1253 PolarHBondContact O-OG 2.92Å; F1250-S1253 WeakPolarHBondContact CA-OG 3.44Å; F1250-S1253 PolarHBondContact O-OG 3.3Å; F1250-S1253 VanDerWaalsContact O-OG 3.11Å; S1253-S1256 WeakPolarHBondContact O-CB 3.23Å; S1253-S1256 PolarHBondContact O-N 2.88Å; S1253-I1257 WeakPolarHBondContact O-CG1 3.41Å; S1253-I1257 PolarHBondContact O-N 2.86Å; S1253-I1257 VanDerWaalsContact O-N 3.15Å
1254	S	35.1	Very low	38.8	Very low	34 Å²	34	91 Å²	91	24%	0.238	51%	0.512	C	S	.	.	H	α-helix	trans	-70.6	-29.8	176	49.6	0	0	0	0	113.7	F1250 A1251 S1256 I1257 T1258	F1250-S1254 VanDerWaalsContact O-CB 3.31Å; F1250-S1254 WeakPolarHBondContact O-CB 3.34Å; F1250-S1254 PolarHBondContact O-N 2.91Å; F1250-S1254 PolarHBondContact O-OG 3.47Å; A1251-S1254 VanDerWaalsContact CA-OG 3.29Å; A1251-S1254 WeakPolarHBondContact CA-OG 3.23Å; A1251-S1254 PolarHBondContact O-OG 2.68Å; S1254-S1256 VanDerWaalsContact C-N 3.32Å; S1254-S1256 PolarHBondContact O-N 3.08Å; S1254-I1257 PolarHBondContact O-N 2.94Å; S1254-T1258 PolarHBondContact O-N 2.84Å; S1254-T1258 PolarHBondContact O-OG1 2.88Å
1255	K	35.6	Very low	37.7	Very low	152 Å²	152	94 Å²	94	66%	0.661	52%	0.521	S	S	*	.	H	α-helix	trans	-58.2	-43	168.6	-99.9	-174.5	175.5	-177.2	0	112.3	A1251 I1257 T1258 D1259	A1251-K1255 PolarHBondContact O-N 3.25Å; K1255-I1257 VanDerWaalsContact C-N 3.34Å; K1255-I1257 PolarHBondContact O-N 3.23Å; K1255-T1258 WeakPolarHBondContact CA-OG1 3.23Å; K1255-T1258 PolarHBondContact O-N 2.98Å; K1255-T1258 PolarHBondContact O-OG1 2.86Å; K1255-D1259 PolarHBondContact O-N 2.89Å
1256	S	32.4	Very low	36.9	Very low	84 Å²	84	95 Å²	95	59%	0.587	53%	0.53	S	S	*	.	H	α-helix	trans	-65	-35.3	175.5	174.4	0	0	0	0	112.5	S1253 S1254 W1260	S1253-S1256 WeakPolarHBondContact O-CB 3.23Å; S1253-S1256 PolarHBondContact O-N 2.88Å; S1254-S1256 VanDerWaalsContact C-N 3.32Å; S1254-S1256 PolarHBondContact O-N 3.08Å; S1256-W1260 PolarHBondContact O-N 3.09Å
1257	I	33.5	Very low	36.2	Very low	92 Å²	92	99.9 Å²	99.9	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-75.3	-35.5	176.3	-66.5	166.1	0	0	0	111.8	S1253 S1254 K1255 W1260 I1261	S1253-I1257 WeakPolarHBondContact O-CG1 3.41Å; S1253-I1257 PolarHBondContact O-N 2.86Å; S1253-I1257 VanDerWaalsContact O-N 3.15Å; S1254-I1257 PolarHBondContact O-N 2.94Å; K1255-I1257 VanDerWaalsContact C-N 3.34Å; K1255-I1257 PolarHBondContact O-N 3.23Å; I1257-W1260 PolarHBondContact O-N 3.25Å; I1257-I1261 HydrophobicContact CG2-CD1 3.89Å; I1257-I1261 WeakPolarHBondContact O-CD1 3.2Å; I1257-I1261 VanDerWaalsContact O-CG1 3.27Å; I1257-I1261 WeakPolarHBondContact O-CG1 3.5Å; I1257-I1261 PolarHBondContact O-N 3.12Å; I1257-I1261 VanDerWaalsContact O-N 3.1Å
1258	T	36.2	Very low	35.3	Very low	46 Å²	46	101.6 Å²	101.6	28%	0.282	55%	0.549	S	S	.	.	H	α-helix	trans	-69.7	-32.7	175.3	46	0	0	0	0	113	S1254 K1255 I1261 S1262	S1254-T1258 PolarHBondContact O-N 2.84Å; S1254-T1258 PolarHBondContact O-OG1 2.88Å; K1255-T1258 WeakPolarHBondContact CA-OG1 3.23Å; K1255-T1258 PolarHBondContact O-N 2.98Å; K1255-T1258 PolarHBondContact O-OG1 2.86Å; T1258-I1261 PolarHBondContact O-N 3.24Å; T1258-S1262 WeakPolarHBondContact O-CB 3.39Å; T1258-S1262 PolarHBondContact O-N 3.01Å; T1258-S1262 VanDerWaalsContact O-N 3.11Å; T1258-S1262 PolarHBondContact O-OG 2.77Å
1259	D	34.1	Very low	34.8	Very low	104 Å²	104	101 Å²	101	56%	0.556	56%	0.558	S	S	*	*	H	α-helix	trans	-72.6	-32	173.3	-79.3	-14.6	0	0	0	112.4	K1255 S1262 T1263	K1255-D1259 PolarHBondContact O-N 2.89Å; D1259-S1262 PolarHBondContact O-OG 3.26Å; D1259-T1263 PolarHBondContact O-N 3.34Å; D1259-T1263 PolarHBondContact O-OG1 2.91Å
1260	W	34.6	Very low	33.9	Very low	170 Å²	170	99.7 Å²	99.7	64%	0.644	56%	0.559	S	S	*	*	H	α-helix	trans	-69.1	-34.6	173	-169	58.3	0	0	0	112.6	S1256 I1257	S1256-W1260 PolarHBondContact O-N 3.09Å; I1257-W1260 PolarHBondContact O-N 3.25Å
1261	I	34.3	Very low	33.3	Very low	107 Å²	107	104.9 Å²	104.9	55%	0.549	58%	0.581	S	S	.	*	H	α-helix	trans	-77.5	-27.9	178	-68.2	168.2	0	0	0	112.1	I1257 T1258	I1257-I1261 HydrophobicContact CG2-CD1 3.89Å; I1257-I1261 WeakPolarHBondContact O-CD1 3.2Å; I1257-I1261 VanDerWaalsContact O-CG1 3.27Å; I1257-I1261 WeakPolarHBondContact O-CG1 3.5Å; I1257-I1261 PolarHBondContact O-N 3.12Å; I1257-I1261 VanDerWaalsContact O-N 3.1Å; T1258-I1261 PolarHBondContact O-N 3.24Å
1262	S	40.5	Very low	32.7	Very low	79 Å²	79	107 Å²	107	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-86.5	-25.9	-177	67.8	0	0	0	0	114.6	T1258 D1259	T1258-S1262 WeakPolarHBondContact O-CB 3.39Å; T1258-S1262 PolarHBondContact O-N 3.01Å; T1258-S1262 VanDerWaalsContact O-N 3.11Å; T1258-S1262 PolarHBondContact O-OG 2.77Å; D1259-S1262 PolarHBondContact O-OG 3.26Å
1263	T	39.9	Very low	32.1	Very low	84 Å²	84	111.7 Å²	111.7	52%	0.515	61%	0.606	S	S	.	*	H	α-helix	trans	-103.4	-10.1	-169.9	56.3	0	0	0	0	114.9	D1259 K1265	D1259-T1263 PolarHBondContact O-N 3.34Å; D1259-T1263 PolarHBondContact O-OG1 2.91Å; T1263-K1265 PolarHBondContact O-N 2.99Å
1264	G	30.3	Very low	31.6	Very low	74 Å²	74	115.1 Å²	115.1	76%	0.763	63%	0.627	S	S	*	*			trans	58.4	9.2	176.6	0	0	0	0	0	115.1
1265	K	28.4	Very low	31.4	Very low	164 Å²	164	120.5 Å²	120.5	71%	0.713	65%	0.651	S	S	*	*	S	Bend	trans	-124.4	127.5	178.6	-72.4	-173.6	178.3	-179.5	0	108.7	T1263 H1267	T1263-K1265 PolarHBondContact O-N 2.99Å; K1265-H1267 PolarHBondContact O-N 3.01Å
1266	P	30.6	Very low	30.8	Very low	101 Å²	101	116 Å²	116	66%	0.656	65%	0.648	S	S	*	*			trans	-61.1	129.4	169.3	26.9	-30.3	0	0	0	107.5	D1268	P1266-D1268 PolarHBondContact O-N 2.64Å; P1266-D1268 VanDerWaalsContact O-N 3.16Å
1267	H	31.2	Very low	30.4	Very low	181 Å²	181	118 Å²	118	84%	0.838	66%	0.663	S	S	*	*			trans	-56.6	123.7	167.6	-130.3	-75.2	0	0	0	107.2	K1265 A1269	K1265-H1267 PolarHBondContact O-N 3.01Å; H1267-A1269 VanDerWaalsContact C-N 3.34Å; H1267-A1269 PolarHBondContact O-N 3.03Å
1268	D	27.6	Very low	30	Very low	125 Å²	125	117.3 Å²	117.3	67%	0.668	68%	0.678	S	S	*	*			trans	-64.1	93.6	-177.7	-159	-5.6	0	0	0	109.3	P1266 S1270	P1266-D1268 PolarHBondContact O-N 2.64Å; P1266-D1268 VanDerWaalsContact O-N 3.16Å; D1268-S1270 PolarHBondContact O-N 2.73Å; D1268-S1270 VanDerWaalsContact O-N 3.14Å; D1268-S1270 VanDerWaalsContact OD1-CB 3.26Å; D1268-S1270 WeakPolarHBondContact OD1-CB 3.37Å; D1268-S1270 PolarHBondContact OD1-OG 3.37Å; D1268-S1270 PolarHBondContact OD2-OG 3.16Å
1269	A	29.9	Very low	29.5	Very low	80 Å²	80	125.3 Å²	125.3	66%	0.661	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-75.4	16.2	176.5	0	0	0	0	0	112.4	H1267 S1272	H1267-A1269 VanDerWaalsContact C-N 3.34Å; H1267-A1269 PolarHBondContact O-N 3.03Å; A1269-S1272 PolarHBondContact O-OG 3.23Å
1270	S	25.8	Very low	29.2	Very low	84 Å²	84	125.1 Å²	125.1	59%	0.587	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-86.8	5.2	-179.5	68.8	0	0	0	0	114.8	D1268	D1268-S1270 PolarHBondContact O-N 2.73Å; D1268-S1270 VanDerWaalsContact O-N 3.14Å; D1268-S1270 VanDerWaalsContact OD1-CB 3.26Å; D1268-S1270 WeakPolarHBondContact OD1-CB 3.37Å; D1268-S1270 PolarHBondContact OD1-OG 3.37Å; D1268-S1270 PolarHBondContact OD2-OG 3.16Å
1271	K	28	Very low	29	Very low	211 Å²	211	121.7 Å²	121.7	92%	0.917	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-100.3	10	167.7	-76.9	-170.7	179.3	179	0	115.4
1272	S	26.1	Very low	28.5	Very low	87 Å²	87	121.7 Å²	121.7	61%	0.608	74%	0.739	S	S	*	*	S	Bend	trans	-116.5	107.3	161.7	54.7	0	0	0	0	109.5	A1269	A1269-S1272 PolarHBondContact O-OG 3.23Å
1273	R	25.4	Very low	27.9	Very low	234 Å²	234	123.9 Å²	123.9	88%	0.883	74%	0.744	S	S	*	*			trans	-54.8	151.4	171	-84.3	-178.1	176.2	-176.2	-1.1	111.1	I1275	R1273-I1275 PolarHBondContact O-N 3.15Å
1274	P	25.4	Very low	27.2	Very low	125 Å²	125	123.4 Å²	123.4	81%	0.812	74%	0.742	S	S	*	*			trans	-76.7	126	-165.6	31.7	-32.8	0	0	0	111
1275	I	29.2	Very low	27.2	Very low	146 Å²	146	127.4 Å²	127.4	75%	0.749	74%	0.741	S	S	*	*			trans	-85.4	111.6	162.3	-64.2	176.5	0	0	0	107.2	R1273	R1273-I1275 PolarHBondContact O-N 3.15Å
1276	G	24.2	Very low	27.2	Very low	58 Å²	58	122.6 Å²	122.6	60%	0.598	73%	0.728	S	S	*	*			trans	-68.6	141	172.5	0	0	0	0	0	112.7
1277	S	24.6	Very low	27.3	Very low	127 Å²	127	124.6 Å²	124.6	89%	0.888	72%	0.723	S	S	*	*			trans	25.9	106.9	151.3	59	0	0	0	0	119.3
1278	G	24.5	Very low	27.4	Very low	77 Å²	77	118.9 Å²	118.9	79%	0.794	70%	0.704	S	S	*	*			trans	175.8	77	164.1	0	0	0	0	0	115.1
1279	K	25.5	Very low	27.8	Very low	213 Å²	213	117.3 Å²	117.3	93%	0.926	70%	0.695	S	S	*	*			trans	48	80.3	161.1	-64.6	-177.3	179.9	178.2	0	117.6
1280	A	28.4	Very low	28.1	Very low	100 Å²	100	120.6 Å²	120.6	83%	0.826	70%	0.695	S	S	*	*			trans	-67.2	130.3	149.2	0	0	0	0	0	108.7	S1282	A1280-S1282 PolarHBondContact O-N 3.08Å
1281	A	28.6	Very low	28.6	Very low	99 Å²	99	121.3 Å²	121.3	82%	0.818	69%	0.692	S	S	*	*			trans	-49.7	110.7	169.2	0	0	0	0	0	109	L1283	A1281-L1283 PolarHBondContact O-N 3.44Å
1282	S	25.2	Very low	29.1	Very low	107 Å²	107	116.7 Å²	116.7	75%	0.748	68%	0.676	S	S	*	*			trans	-57.5	112.7	168.1	51.3	0	0	0	0	107.4	A1280	A1280-S1282 PolarHBondContact O-N 3.08Å
1283	L	26.8	Very low	29.7	Very low	125 Å²	125	119.7 Å²	119.7	65%	0.654	68%	0.683	S	S	*	*			trans	-46.4	131.9	151.6	-94.2	120	0	0	0	106.7	A1281 Q1285	A1281-L1283 PolarHBondContact O-N 3.44Å; L1283-Q1285 PolarHBondContact O-N 3.06Å
1284	P	26.7	Very low	30.4	Very low	74 Å²	74	112.9 Å²	112.9	48%	0.481	66%	0.659	S	S	.	*			trans	-50.7	132.3	175.9	-22.3	30.5	0	0	0	108.1	S1286 Y1287	P1284-S1286 PolarHBondContact O-N 3.19Å; P1284-Y1287 HydrophobicContact CG-CD2 4.28Å; P1284-Y1287 PolarHBondContact O-N 2.8Å
1285	Q	28.7	Very low	31.2	Very low	158 Å²	158	111.7 Å²	111.7	74%	0.738	64%	0.642	S	S	*	*	H	α-helix	trans	-49	-24.1	178.2	-148.3	101.7	1.5	0	0	111.8	L1283 N1289	L1283-Q1285 PolarHBondContact O-N 3.06Å; Q1285-N1289 WeakPolarHBondContact O-CB 3.37Å; Q1285-N1289 PolarHBondContact O-N 2.67Å
1286	S	29.9	Very low	31.8	Very low	62 Å²	62	107.3 Å²	107.3	43%	0.434	63%	0.627	S	S	.	*	H	α-helix	trans	-68.2	-29.7	174.2	73.4	0	0	0	0	115	P1284 K1290	P1284-S1286 PolarHBondContact O-N 3.19Å; S1286-K1290 WeakPolarHBondContact O-CB 3.42Å; S1286-K1290 WeakPolarHBondContact O-CD 3.37Å; S1286-K1290 WeakPolarHBondContact O-CG 3.26Å; S1286-K1290 PolarHBondContact O-N 3.01Å; S1286-K1290 VanDerWaalsContact O-N 3.12Å
1287	Y	31.7	Very low	32.5	Very low	143 Å²	143	106.2 Å²	106.2	56%	0.561	62%	0.616	S	S	*	*	H	α-helix	trans	-80.7	-39.7	176.1	-96.1	-87.1	0	0	0	112	P1284 K1290 L1291	P1284-Y1287 HydrophobicContact CG-CD2 4.28Å; P1284-Y1287 PolarHBondContact O-N 2.8Å; Y1287-K1290 PolarHBondContact O-N 3.35Å; Y1287-L1291 WeakPolarHBondContact O-CB 3.39Å; Y1287-L1291 PolarHBondContact O-N 3.45Å
1288	S	34.1	Very low	33.2	Very low	61 Å²	61	103.1 Å²	103.1	43%	0.427	59%	0.589	S	S	.	*	H	α-helix	trans	-66.9	-42.6	175.2	-166.9	0	0	0	0	111.4	L1291 L1292	S1288-L1291 PolarHBondContact O-N 2.96Å; S1288-L1292 WeakPolarHBondContact O-CB 3.24Å; S1288-L1292 PolarHBondContact O-N 3.44Å
1289	N	35.2	Very low	33.9	Very low	92 Å²	92	109 Å²	109	49%	0.492	59%	0.587	S	S	.	*	H	α-helix	trans	-70.1	-32.6	175.9	-77.7	-15.8	0	0	0	113	Q1285 M1293	Q1285-N1289 WeakPolarHBondContact O-CB 3.37Å; Q1285-N1289 PolarHBondContact O-N 2.67Å; N1289-M1293 VanDerWaalsContact O-CB 3.3Å; N1289-M1293 WeakPolarHBondContact O-CB 3.18Å; N1289-M1293 VanDerWaalsContact O-CG 3.32Å; N1289-M1293 WeakPolarHBondContact O-CG 2.84Å; N1289-M1293 PolarHBondContact O-N 3.35Å
1290	K	36.7	Very low	34.5	Very low	150 Å²	150	109 Å²	109	65%	0.652	58%	0.581	S	S	*	*	H	α-helix	trans	-72.3	-37.2	173.6	-78.2	175.1	-178	-179.6	0	112.3	S1286 Y1287 F1294	S1286-K1290 WeakPolarHBondContact O-CB 3.42Å; S1286-K1290 WeakPolarHBondContact O-CD 3.37Å; S1286-K1290 WeakPolarHBondContact O-CG 3.26Å; S1286-K1290 PolarHBondContact O-N 3.01Å; S1286-K1290 VanDerWaalsContact O-N 3.12Å; Y1287-K1290 PolarHBondContact O-N 3.35Å; K1290-F1294 WeakPolarHBondContact O-CB 3.44Å; K1290-F1294 PolarHBondContact O-N 2.93Å
1291	L	36.8	Very low	35	Very low	99 Å²	99	111.9 Å²	111.9	52%	0.518	58%	0.575	S	S	.	*	H	α-helix	trans	-66.9	-43	171	-113.1	86.5	0	0	0	111.2	Y1287 S1288 F1294 F1295	Y1287-L1291 WeakPolarHBondContact O-CB 3.39Å; Y1287-L1291 PolarHBondContact O-N 3.45Å; S1288-L1291 PolarHBondContact O-N 2.96Å; L1291-F1294 WeakPolarHBondContact O-CB 3.41Å; L1291-F1294 PolarHBondContact O-N 3.07Å; L1291-F1295 HydrophobicContact CD2-CE2 3.96Å; L1291-F1295 HydrophobicContact CG-CE2 4.21Å; L1291-F1295 WeakPolarHBondContact O-CD2 3.47Å; L1291-F1295 PolarHBondContact O-N 3.33Å
1292	L	38.4	Very low	35.4	Very low	114 Å²	114	111.7 Å²	111.7	60%	0.597	56%	0.56	S	S	*	*	H	α-helix	trans	-64.8	-40.1	176.5	-118.5	109.2	0	0	0	111.9	S1288 A1296	S1288-L1292 WeakPolarHBondContact O-CB 3.24Å; S1288-L1292 PolarHBondContact O-N 3.44Å; L1292-A1296 WeakPolarHBondContact O-CA 3.38Å; L1292-A1296 WeakPolarHBondContact O-CB 3.37Å; L1292-A1296 PolarHBondContact O-N 2.82Å
1293	M	38.7	Very low	35.8	Very low	150 Å²	150	114.8 Å²	114.8	74%	0.739	56%	0.56	S	S	*	*	H	α-helix	trans	-68.7	-33.8	173.2	-77.4	-155.7	-173.6	0	0	112.4	N1289 G1297	N1289-M1293 VanDerWaalsContact O-CB 3.3Å; N1289-M1293 WeakPolarHBondContact O-CB 3.18Å; N1289-M1293 VanDerWaalsContact O-CG 3.32Å; N1289-M1293 WeakPolarHBondContact O-CG 2.84Å; N1289-M1293 PolarHBondContact O-N 3.35Å; M1293-G1297 PolarHBondContact O-N 3.12Å
1294	F	40.4	Very low	36	Very low	90 Å²	90	113 Å²	113	40%	0.395	56%	0.556	S	S	.	*	H	α-helix	trans	-65.8	-46.1	174.5	-178.2	-99.9	0	0	0	111.3	K1290 L1291 G1297 I1298	K1290-F1294 WeakPolarHBondContact O-CB 3.44Å; K1290-F1294 PolarHBondContact O-N 2.93Å; L1291-F1294 WeakPolarHBondContact O-CB 3.41Å; L1291-F1294 PolarHBondContact O-N 3.07Å; F1294-G1297 PolarHBondContact O-N 3.26Å; F1294-I1298 HydrophobicContact CD1-CD1 3.97Å; F1294-I1298 HydrophobicContact CE1-CD1 3.62Å; F1294-I1298 HydrophobicContact CZ-CD1 3.97Å; F1294-I1298 WeakPolarHBondContact O-CG1 3.35Å; F1294-I1298 PolarHBondContact O-N 2.9Å
1295	F	41.1	Very low	36.3	Very low	100 Å²	100	115.5 Å²	115.5	44%	0.439	56%	0.564	S	S	.	*	H	α-helix	trans	-73.1	-34.2	175.2	-75.8	-67.8	0	0	0	113.1	L1291 I1298 R1299	L1291-F1295 HydrophobicContact CD2-CE2 3.96Å; L1291-F1295 HydrophobicContact CG-CE2 4.21Å; L1291-F1295 WeakPolarHBondContact O-CD2 3.47Å; L1291-F1295 PolarHBondContact O-N 3.33Å; F1295-I1298 PolarHBondContact O-N 3.47Å; F1295-R1299 WeakPolarHBondContact O-CB 3.47Å; F1295-R1299 PolarHBondContact O-N 3.47Å
1296	A	41.6	Very low	36.4	Very low	54 Å²	54	115.2 Å²	115.2	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-68.3	-34.2	172.8	0	0	0	0	0	111.9	L1292 R1299 R1300	L1292-A1296 WeakPolarHBondContact O-CA 3.38Å; L1292-A1296 WeakPolarHBondContact O-CB 3.37Å; L1292-A1296 PolarHBondContact O-N 2.82Å; A1296-R1299 PolarHBondContact O-N 3.36Å; A1296-R1300 WeakPolarHBondContact O-CB 3.41Å; A1296-R1300 PolarHBondContact O-N 2.98Å
1297	G	38.4	Very low	36.3	Very low	35 Å²	35	116 Å²	116	36%	0.361	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-42.8	172.1	0	0	0	0	0	112.4	M1293 F1294 R1300 F1301	M1293-G1297 PolarHBondContact O-N 3.12Å; F1294-G1297 PolarHBondContact O-N 3.26Å; G1297-R1300 PolarHBondContact O-N 2.79Å; G1297-F1301 PolarHBondContact O-N 3.16Å; G1297-F1301 VanDerWaalsContact O-N 3.17Å
1298	I	40.1	Very low	36.3	Very low	62 Å²	62	115.4 Å²	115.4	32%	0.318	59%	0.589	S	S	.	*	H	α-helix	trans	-64.5	-40.8	172.9	-68.5	168.7	0	0	0	110.8	F1294 F1295 R1300 F1301 L1302	F1294-I1298 HydrophobicContact CD1-CD1 3.97Å; F1294-I1298 HydrophobicContact CE1-CD1 3.62Å; F1294-I1298 HydrophobicContact CZ-CD1 3.97Å; F1294-I1298 WeakPolarHBondContact O-CG1 3.35Å; F1294-I1298 PolarHBondContact O-N 2.9Å; F1295-I1298 PolarHBondContact O-N 3.47Å; I1298-R1300 PolarHBondContact O-N 3.25Å; I1298-F1301 PolarHBondContact O-N 3.39Å; I1298-L1302 HydrophobicContact CG2-CD1 3.63Å; I1298-L1302 HydrophobicContact CG2-CG 4.36Å; I1298-L1302 WeakPolarHBondContact O-CB 3.39Å; I1298-L1302 VanDerWaalsContact O-CG 3.3Å; I1298-L1302 WeakPolarHBondContact O-CG 3.39Å; I1298-L1302 PolarHBondContact O-N 2.96Å
1299	R	38	Very low	36	Very low	201 Å²	201	118 Å²	118	76%	0.758	60%	0.603	S	S	*	*	H	α-helix	trans	-68.5	-30	177	-136.5	177.2	-171	177.9	2.3	113.5	F1295 A1296 K1303	F1295-R1299 WeakPolarHBondContact O-CB 3.47Å; F1295-R1299 PolarHBondContact O-N 3.47Å; A1296-R1299 PolarHBondContact O-N 3.36Å; R1299-K1303 PolarHBondContact O-N 3.46Å
1300	R	39.8	Very low	35.5	Very low	214 Å²	214	121.2 Å²	121.2	81%	0.808	62%	0.619	S	S	*	*	H	α-helix	trans	-75.3	-27.9	175.1	-128.9	176.6	-177	174.7	0.3	112.4	A1296 G1297 I1298	A1296-R1300 WeakPolarHBondContact O-CB 3.41Å; A1296-R1300 PolarHBondContact O-N 2.98Å; G1297-R1300 PolarHBondContact O-N 2.79Å; I1298-R1300 PolarHBondContact O-N 3.25Å
1301	F	38.1	Very low	35.2	Very low	160 Å²	160	120.2 Å²	120.2	70%	0.702	63%	0.626	S	S	*	*	H	α-helix	trans	-87.4	-20.6	176.9	-103.9	-87.1	0	0	0	114.3	G1297 I1298 P1304	G1297-F1301 PolarHBondContact O-N 3.16Å; G1297-F1301 VanDerWaalsContact O-N 3.17Å; I1298-F1301 PolarHBondContact O-N 3.39Å; F1301-P1304 VanDerWaalsContact O-CD 3.23Å; F1301-P1304 WeakPolarHBondContact O-CD 3.21Å
1302	L	36.6	Very low	34.9	Very low	94 Å²	94	124 Å²	124	49%	0.492	64%	0.641	S	S	.	*	H	α-helix	trans	-88.9	-12.5	175.5	-69.6	170.9	0	0	0	113.7	I1298 I1305	I1298-L1302 HydrophobicContact CG2-CD1 3.63Å; I1298-L1302 HydrophobicContact CG2-CG 4.36Å; I1298-L1302 WeakPolarHBondContact O-CB 3.39Å; I1298-L1302 VanDerWaalsContact O-CG 3.3Å; I1298-L1302 WeakPolarHBondContact O-CG 3.39Å; I1298-L1302 PolarHBondContact O-N 2.96Å; L1302-I1305 HydrophobicContact CD2-CD1 4.34Å; L1302-I1305 PolarHBondContact O-N 3.22Å
1303	K	33.8	Very low	34.3	Very low	172 Å²	172	126.4 Å²	126.4	75%	0.748	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-20.2	177.2	-101.2	-172.4	173.7	-168.5	0	117.1	R1299	R1299-K1303 PolarHBondContact O-N 3.46Å
1304	P	31.4	Very low	33.8	Very low	87 Å²	87	125.1 Å²	125.1	57%	0.565	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	1.3	174.9	-9.2	27.1	0	0	0	115	F1301	F1301-P1304 VanDerWaalsContact O-CD 3.23Å; F1301-P1304 WeakPolarHBondContact O-CD 3.21Å
1305	I	34	Very low	33.3	Very low	128 Å²	128	128.1 Å²	128.1	66%	0.656	68%	0.675	S	S	*	*	S	Bend	trans	-95	-13	-174.8	-63.9	177.5	0	0	0	112.7	L1302	L1302-I1305 HydrophobicContact CD2-CD1 4.34Å; L1302-I1305 PolarHBondContact O-N 3.22Å
1306	D	29.9	Very low	32.8	Very low	151 Å²	151	129.1 Å²	129.1	81%	0.807	69%	0.694	S	S	*	*	S	Bend	trans	-92.7	15.6	175.2	-69.7	-30.7	0	0	0	113.6
1307	A	28.2	Very low	32.1	Very low	80 Å²	80	129.7 Å²	129.7	66%	0.661	71%	0.706	S	S	*	*	S	Bend	trans	-121.4	19.9	-172.6	0	0	0	0	0	115.5
1308	V	31.1	Very low	31.6	Very low	129 Å²	129	134.6 Å²	134.6	78%	0.782	73%	0.729	S	S	*	*	S	Bend	trans	-130.6	38	177.7	-164	0	0	0	0	111.7
1309	T	28.2	Very low	31	Very low	117 Å²	117	136.6 Å²	136.6	72%	0.718	75%	0.748	S	S	*	*	S	Bend	trans	-140.1	78.2	165.7	50.4	0	0	0	0	107.6
1310	D	24.4	Very low	30.5	Very low	158 Å²	158	134.7 Å²	134.7	85%	0.845	75%	0.753	S	S	*	*			trans	175.7	145.1	145.6	-87.7	-24.6	0	0	0	110.1
1311	T	30.6	Very low	30.1	Very low	130 Å²	130	129.2 Å²	129.2	80%	0.798	75%	0.747	S	S	*	*			trans	93.5	101.3	172	49.1	0	0	0	0	121.4
1312	E	29.4	Very low	29.6	Very low	179 Å²	179	126.7 Å²	126.7	84%	0.836	75%	0.749	S	S	*	*			trans	75.2	101.2	138.5	-61.8	-178.2	169.5	0	0	119.2
1313	L	26.8	Very low	29.1	Very low	163 Å²	163	126.9 Å²	126.9	85%	0.853	77%	0.765	S	S	*	*				47.4	103.2	68.2	-86.7	160.2	0	0	0	115.2
1314	T	28	Very low	28.7	Very low	123 Å²	123	126.5 Å²	126.5	76%	0.755	77%	0.771	S	S	*	*				175.1	133.8	122.4	38.5	0	0	0	0	113.7
1315	N	29.6	Very low	28.4	Very low	154 Å²	154	128.9 Å²	128.9	82%	0.824	78%	0.783	S	S	*	*			trans	60.7	134	154.7	-60.4	-17.1	0	0	0	119.4
1316	S	30.3	Very low	28.1	Very low	120 Å²	120	130.1 Å²	130.1	84%	0.839	80%	0.797	S	S	*	*			cis	-172.5	144.3	7.6	46.3	0	0	0	0	110.5
1317	G	26.9	Very low	27.9	Very low	67 Å²	67	128.8 Å²	128.8	69%	0.691	80%	0.799	S	S	*	*			trans	118.6	104.1	140.9	0	0	0	0	0	120.8
1318	T	29.4	Very low	27.8	Very low	138 Å²	138	128.3 Å²	128.3	85%	0.847	80%	0.802	S	S	*	*			trans	70.2	104	142.3	57.7	0	0	0	0	122.6
1319	S	26.2	Very low	27.8	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	81%	0.808	S	S	*	*			trans	26.7	110.9	135.3	59.4	0	0	0	0	121.1
1320	D	29	Very low	28.2	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	79%	0.792	S	S	*	*				-175.5	153.5	110.2	-102.1	-22.9	0	0	0	113.7
1321	S	30.1	Very low	29.1	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	78%	0.78	S	S	*	*			trans	-11.7	126.1	175.8	59.7	0	0	0	0	123
1322	S	28.5	Very low	29.6	Very low	107 Å²	107	123.4 Å²	123.4	75%	0.748	77%	0.771	S	S	*	*			trans	50.3	106.8	131.8	65.8	0	0	0	0	122.2
1323	A	25.8	Very low	30.3	Very low	98 Å²	98	119.7 Å²	119.7	81%	0.81	76%	0.756	S	S	*	*				59.1	81.4	129.5	0	0	0	0	0	119.3
1324	D	24.7	Very low	31.1	Very low	164 Å²	164	117.2 Å²	117.2	88%	0.877	74%	0.742	S	S	*	*			trans	-148.9	66.6	160.1	-108.3	-20	0	0	0	111.1
1325	V	26.1	Very low	32	Very low	137 Å²	137	117.6 Å²	117.6	83%	0.83	74%	0.735	S	S	*	*			trans	-152.4	75.6	165.6	-168.2	0	0	0	0	111.4
1326	V	27.4	Very low	32.8	Very low	154 Å²	154	114 Å²	114	93%	0.933	72%	0.722	S	S	*	*			trans	-143.1	74.3	154.6	-170.7	0	0	0	0	109.6
1327	S	25.6	Very low	33.3	Very low	123 Å²	123	113.4 Å²	113.4	86%	0.86	71%	0.708	S	S	*	*			trans	-128.8	102	157	60.4	0	0	0	0	107.4
1328	G	26.8	Very low	34.2	Very low	70 Å²	70	111.2 Å²	111.2	72%	0.722	68%	0.683	S	S	*	*			trans	147.4	69	172.6	0	0	0	0	0	116
1329	L	30.1	Very low	35.2	Very low	175 Å²	175	108.2 Å²	108.2	92%	0.916	67%	0.665	S	S	*	*			trans	-97.2	104.8	146.2	-100.6	155.3	0	0	0	105.9	S1331	L1329-S1331 PolarHBondContact O-N 3.35Å
1330	P	37.4	Very low	36.2	Very low	59 Å²	59	105.2 Å²	105.2	38%	0.383	65%	0.65	S	S	.	*			trans	-78.6	121.3	-169.3	28.8	-30.7	0	0	0	110	N1332 I1333	P1330-N1332 HydrophobicContact CB-CB 4.32Å; P1330-N1332 PolarHBondContact O-N 3.43Å; P1330-I1333 HydrophobicContact CG-CD1 3.81Å; P1330-I1333 HydrophobicContact CG-CG1 4.04Å; P1330-I1333 PolarHBondContact O-N 3.03Å
1331	S	41.8	Very low	36.9	Very low	83 Å²	83	100.6 Å²	100.6	58%	0.58	63%	0.628	S	S	*	*	H	α-helix	trans	-43.5	-26.8	166.5	-16.7	0	0	0	0	112.6	L1329 I1333 I1334 E1335	L1329-S1331 PolarHBondContact O-N 3.35Å; S1331-I1333 VanDerWaalsContact C-N 3.32Å; S1331-I1333 PolarHBondContact O-N 2.92Å; S1331-I1334 PolarHBondContact O-N 2.93Å; S1331-E1335 PolarHBondContact O-N 2.87Å
1332	N	42.4	Very low	37.3	Very low	114 Å²	114	102 Å²	102	61%	0.61	62%	0.617	S	S	*	*	H	α-helix	trans	-63.3	-26.7	179.3	-59.1	-9.3	0	0	0	114.1	P1330 S1336	P1330-N1332 HydrophobicContact CB-CB 4.32Å; P1330-N1332 PolarHBondContact O-N 3.43Å; N1332-S1336 WeakPolarHBondContact O-CB 3.47Å; N1332-S1336 PolarHBondContact O-N 3.09Å
1333	I	44.5	Very low	38.1	Very low	101 Å²	101	107.6 Å²	107.6	52%	0.518	62%	0.622	S	S	.	*	H	α-helix	trans	-78.2	-40.7	178.5	-66.6	173.8	0	0	0	110.7	P1330 S1331 S1336 M1337	P1330-I1333 HydrophobicContact CG-CD1 3.81Å; P1330-I1333 HydrophobicContact CG-CG1 4.04Å; P1330-I1333 PolarHBondContact O-N 3.03Å; S1331-I1333 VanDerWaalsContact C-N 3.32Å; S1331-I1333 PolarHBondContact O-N 2.92Å; I1333-S1336 PolarHBondContact O-N 3.39Å; I1333-M1337 HydrophobicContact CG2-SD 4.25Å; I1333-M1337 WeakPolarHBondContact O-CB 3.43Å; I1333-M1337 VanDerWaalsContact O-CG 3.26Å; I1333-M1337 WeakPolarHBondContact O-CG 3.17Å; I1333-M1337 PolarHBondContact O-N 3.26Å
1334	I	43.8	Very low	38.9	Very low	112 Å²	112	107.2 Å²	107.2	57%	0.574	62%	0.619	S	S	*	*	H	α-helix	trans	-68.5	-40	176.8	-63.2	175.4	0	0	0	110.3	S1331 A1338	S1331-I1334 PolarHBondContact O-N 2.93Å; I1334-A1338 VanDerWaalsContact O-CB 3.31Å; I1334-A1338 WeakPolarHBondContact O-CB 3.45Å; I1334-A1338 PolarHBondContact O-N 2.95Å
1335	E	44.9	Very low	39.6	Very low	130 Å²	130	102.1 Å²	102.1	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-69.6	-37.2	173.1	-75	-173.3	161	0	0	112.7	S1331 A1338 V1339	S1331-E1335 PolarHBondContact O-N 2.87Å; E1335-A1338 PolarHBondContact O-N 3.2Å; E1335-V1339 WeakPolarHBondContact O-CB 3.07Å; E1335-V1339 VanDerWaalsContact O-CG2 3.25Å; E1335-V1339 WeakPolarHBondContact O-CG2 3.49Å; E1335-V1339 PolarHBondContact O-N 2.91Å
1336	S	46.4	Very low	40.2	Very low	79 Å²	79	105.5 Å²	105.5	55%	0.552	60%	0.603	S	S	*	*	H	α-helix	trans	-64.2	-43.8	174.2	172.1	0	0	0	0	112.3	N1332 I1333 A1338 V1339 G1340	N1332-S1336 WeakPolarHBondContact O-CB 3.47Å; N1332-S1336 PolarHBondContact O-N 3.09Å; I1333-S1336 PolarHBondContact O-N 3.39Å; S1336-A1338 VanDerWaalsContact C-N 3.34Å; S1336-A1338 PolarHBondContact O-N 3.4Å; S1336-V1339 PolarHBondContact O-N 3.48Å; S1336-G1340 PolarHBondContact O-N 3.36Å
1337	M	41.3	Very low	40.9	Very low	107 Å²	107	100.5 Å²	100.5	53%	0.527	57%	0.573	S	S	.	*	H	α-helix	trans	-63.5	-40	174	-71.6	179.3	101.8	0	0	111.4	I1333 G1340 V1341	I1333-M1337 HydrophobicContact CG2-SD 4.25Å; I1333-M1337 WeakPolarHBondContact O-CB 3.43Å; I1333-M1337 VanDerWaalsContact O-CG 3.26Å; I1333-M1337 WeakPolarHBondContact O-CG 3.17Å; I1333-M1337 PolarHBondContact O-N 3.26Å; M1337-G1340 PolarHBondContact O-N 3.44Å; M1337-V1341 WeakPolarHBondContact O-CG2 3.48Å; M1337-V1341 PolarHBondContact O-N 3.47Å
1338	A	45.9	Very low	42	Very low	22 Å²	22	97.8 Å²	97.8	18%	0.182	55%	0.554	C	S	.	*	H	α-helix	trans	-65.1	-38.8	175.5	0	0	0	0	0	112.5	I1334 E1335 S1336 R1342 L1352	I1334-A1338 VanDerWaalsContact O-CB 3.31Å; I1334-A1338 WeakPolarHBondContact O-CB 3.45Å; I1334-A1338 PolarHBondContact O-N 2.95Å; E1335-A1338 PolarHBondContact O-N 3.2Å; S1336-A1338 VanDerWaalsContact C-N 3.34Å; S1336-A1338 PolarHBondContact O-N 3.4Å; A1338-R1342 WeakPolarHBondContact O-CB 3.4Å; A1338-R1342 PolarHBondContact O-N 3.35Å; A1338-L1352 HydrophobicContact CB-CD2 4.08Å
1339	V	50.6	Low	42.9	Very low	75 Å²	75	99.7 Å²	99.7	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-70.6	-36.5	175	171.3	0	0	0	0	111.8	E1335 S1336 R1342 R1343	E1335-V1339 WeakPolarHBondContact O-CB 3.07Å; E1335-V1339 VanDerWaalsContact O-CG2 3.25Å; E1335-V1339 WeakPolarHBondContact O-CG2 3.49Å; E1335-V1339 PolarHBondContact O-N 2.91Å; S1336-V1339 PolarHBondContact O-N 3.48Å; V1339-R1342 WeakPolarHBondContact O-CB 3.48Å; V1339-R1342 PolarHBondContact O-N 3.31Å; V1339-R1343 PolarHBondContact O-N 3.06Å
1340	G	47.8	Very low	43.6	Very low	40 Å²	40	96.1 Å²	96.1	41%	0.412	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.1	0	0	0	0	0	112.9	S1336 M1337 R1342 R1343 A1344	S1336-G1340 PolarHBondContact O-N 3.36Å; M1337-G1340 PolarHBondContact O-N 3.44Å; G1340-R1342 VanDerWaalsContact C-N 3.32Å; G1340-R1342 PolarHBondContact O-N 2.89Å; G1340-R1343 PolarHBondContact O-N 3.38Å; G1340-A1344 PolarHBondContact O-N 2.89Å; G1340-A1344 VanDerWaalsContact O-N 3.1Å
1341	V	43.1	Very low	44	Very low	64 Å²	64	98.3 Å²	98.3	39%	0.388	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-35.8	173.5	173.6	0	0	0	0	111.3	M1337 R1343 A1344 A1345	M1337-V1341 WeakPolarHBondContact O-CG2 3.48Å; M1337-V1341 PolarHBondContact O-N 3.47Å; V1341-R1343 PolarHBondContact O-N 2.52Å; V1341-A1344 PolarHBondContact O-N 3.04Å; V1341-A1345 PolarHBondContact O-N 3.08Å
1342	R	38.8	Very low	44.1	Very low	127 Å²	127	95.9 Å²	95.9	48%	0.479	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175	-142.5	178.3	-161.2	-179.3	5.4	112.4	A1338 V1339 G1340 N1349 L1352	A1338-R1342 WeakPolarHBondContact O-CB 3.4Å; A1338-R1342 PolarHBondContact O-N 3.35Å; V1339-R1342 WeakPolarHBondContact O-CB 3.48Å; V1339-R1342 PolarHBondContact O-N 3.31Å; G1340-R1342 VanDerWaalsContact C-N 3.32Å; G1340-R1342 PolarHBondContact O-N 2.89Å; R1342-N1349 PolarHBondContact NH2-OD1 3.08Å; R1342-L1352 HydrophobicContact CB-CD1 4.36Å; R1342-L1352 HydrophobicContact CG-CD1 4.07Å
1343	R	45.6	Very low	44.4	Very low	225 Å²	225	93.5 Å²	93.5	85%	0.849	50%	0.503	S	S	*	.	H	α-helix	trans	-72.7	-32.7	177.2	-82.5	-175.5	173.8	177.7	-0.9	113.1	V1339 G1340 V1341	V1339-R1343 PolarHBondContact O-N 3.06Å; G1340-R1343 PolarHBondContact O-N 3.38Å; V1341-R1343 PolarHBondContact O-N 2.52Å
1344	A	41.6	Very low	44.6	Very low	90 Å²	90	92.1 Å²	92.1	74%	0.744	50%	0.496	S	S	*	.	H	α-helix	trans	-82.7	-27.4	-175.6	0	0	0	0	0	114.8	G1340 V1341	G1340-A1344 PolarHBondContact O-N 2.89Å; G1340-A1344 VanDerWaalsContact O-N 3.1Å; V1341-A1344 PolarHBondContact O-N 3.04Å
1345	A	40.7	Very low	44.7	Very low	57 Å²	57	89 Å²	89	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-125.8	-1.8	-164.7	0	0	0	0	0	117.3	V1341 V1347	V1341-A1345 PolarHBondContact O-N 3.08Å; A1345-V1347 HydrophobicContact CB-CG2 3.44Å; A1345-V1347 VanDerWaalsContact CB-CG2 3.44Å; A1345-V1347 WeakPolarHBondContact O-CG2 3.24Å; A1345-V1347 PolarHBondContact O-N 3.05Å
1346	K	38.1	Very low	45	Very low	208 Å²	208	84.9 Å²	84.9	90%	0.904	47%	0.466	S	S	*	.			trans	43.8	55.4	-178.3	-76.4	-172	176.9	179.5	0	113.5
1347	V	41.9	Very low	45.1	Very low	49 Å²	49	86.5 Å²	86.5	30%	0.297	47%	0.465	S	S	.	.			trans	-108.3	146.1	-174.3	-158.2	0	0	0	0	111.2	A1345 Q1351	A1345-V1347 HydrophobicContact CB-CG2 3.44Å; A1345-V1347 VanDerWaalsContact CB-CG2 3.44Å; A1345-V1347 WeakPolarHBondContact O-CG2 3.24Å; A1345-V1347 PolarHBondContact O-N 3.05Å; V1347-Q1351 HydrophobicContact CG1-CB 3.43Å; V1347-Q1351 VanDerWaalsContact CG1-CB 3.43Å; V1347-Q1351 VanDerWaalsContact CG1-CD 3.41Å; V1347-Q1351 HydrophobicContact CG1-CG 4Å
1348	S	48.7	Very low	45.6	Very low	67 Å²	67	85.1 Å²	85.1	47%	0.469	45%	0.454	S	S	.	.			trans	-67.9	156	-179.4	72.8	0	0	0	0	113.8	F1350 Q1351 L1352	S1348-F1350 PolarHBondContact O-N 3.4Å; S1348-F1350 VanDerWaalsContact O-N 3.12Å; S1348-Q1351 PolarHBondContact O-N 2.9Å; S1348-Q1351 VanDerWaalsContact O-N 3.1Å; S1348-Q1351 PolarHBondContact OG-OE1 2.59Å; S1348-L1352 PolarHBondContact O-N 2.94Å
1349	N	46.2	Very low	45.6	Very low	109 Å²	109	87.7 Å²	87.7	58%	0.583	46%	0.464	S	S	*	.	H	α-helix	trans	-54.9	-31.5	-178.2	-79.3	-13.8	0	0	0	114.4	R1342 L1352 S1353	R1342-N1349 PolarHBondContact NH2-OD1 3.08Å; N1349-L1352 PolarHBondContact O-N 3.35Å; N1349-S1353 PolarHBondContact O-N 3.22Å
1350	F	44.8	Very low	45.5	Very low	101 Å²	101	89.7 Å²	89.7	44%	0.443	47%	0.467	S	S	.	.	H	α-helix	trans	-70	-39.1	179.8	179.9	-106.9	0	0	0	112.3	S1348 L1352 S1353 L1354	S1348-F1350 PolarHBondContact O-N 3.4Å; S1348-F1350 VanDerWaalsContact O-N 3.12Å; F1350-L1352 VanDerWaalsContact C-N 3.3Å; F1350-L1352 PolarHBondContact O-N 3.15Å; F1350-S1353 PolarHBondContact O-N 3.03Å; F1350-S1353 PolarHBondContact O-OG 2.88Å; F1350-L1354 HydrophobicContact CD1-CD1 4.11Å; F1350-L1354 HydrophobicContact CE1-CD1 3.57Å; F1350-L1354 HydrophobicContact CE2-CD1 4.35Å; F1350-L1354 HydrophobicContact CZ-CD1 3.71Å; F1350-L1354 PolarHBondContact O-N 3.12Å
1351	Q	44.4	Very low	45.6	Very low	105 Å²	105	94.5 Å²	94.5	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-71.1	-30.1	177	-68.2	177.6	-68.8	0	0	111.2	V1347 S1348 L1354 V1355	V1347-Q1351 HydrophobicContact CG1-CB 3.43Å; V1347-Q1351 VanDerWaalsContact CG1-CB 3.43Å; V1347-Q1351 VanDerWaalsContact CG1-CD 3.41Å; V1347-Q1351 HydrophobicContact CG1-CG 4Å; S1348-Q1351 PolarHBondContact O-N 2.9Å; S1348-Q1351 VanDerWaalsContact O-N 3.1Å; S1348-Q1351 PolarHBondContact OG-OE1 2.59Å; Q1351-L1354 PolarHBondContact O-N 3.23Å; Q1351-V1355 WeakPolarHBondContact O-CG2 3.14Å; Q1351-V1355 PolarHBondContact O-N 2.94Å; Q1351-V1355 VanDerWaalsContact O-N 3.15Å
1352	L	45.6	Very low	45.7	Very low	31 Å²	31	94.9 Å²	94.9	16%	0.162	47%	0.473	C	S	.	.	H	α-helix	trans	-65.6	-39.8	175	-135.9	107.4	0	0	0	112.1	A1338 R1342 S1348 N1349 F1350 V1355 V1356	A1338-L1352 HydrophobicContact CB-CD2 4.08Å; R1342-L1352 HydrophobicContact CB-CD1 4.36Å; R1342-L1352 HydrophobicContact CG-CD1 4.07Å; S1348-L1352 PolarHBondContact O-N 2.94Å; N1349-L1352 PolarHBondContact O-N 3.35Å; F1350-L1352 VanDerWaalsContact C-N 3.3Å; F1350-L1352 PolarHBondContact O-N 3.15Å; L1352-V1355 PolarHBondContact O-N 2.89Å; L1352-V1356 VanDerWaalsContact O-CG2 3.29Å; L1352-V1356 WeakPolarHBondContact O-CG2 3.37Å; L1352-V1356 PolarHBondContact O-N 3.3Å
1353	S	48.7	Very low	46.1	Very low	65 Å²	65	96.2 Å²	96.2	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-69.5	-34.9	179.4	91.5	0	0	0	0	112.5	N1349 F1350 V1356 E1357	N1349-S1353 PolarHBondContact O-N 3.22Å; F1350-S1353 PolarHBondContact O-N 3.03Å; F1350-S1353 PolarHBondContact O-OG 2.88Å; S1353-V1356 PolarHBondContact O-N 3.38Å; S1353-E1357 PolarHBondContact O-N 3.23Å
1354	L	47.5	Very low	46.2	Very low	71 Å²	71	87.8 Å²	87.8	37%	0.372	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-40.5	174.3	-99.6	140.6	0	0	0	112	F1350 Q1351 Y1358	F1350-L1354 HydrophobicContact CD1-CD1 4.11Å; F1350-L1354 HydrophobicContact CE1-CD1 3.57Å; F1350-L1354 HydrophobicContact CE2-CD1 4.35Å; F1350-L1354 HydrophobicContact CZ-CD1 3.71Å; F1350-L1354 PolarHBondContact O-N 3.12Å; Q1351-L1354 PolarHBondContact O-N 3.23Å; L1354-Y1358 WeakPolarHBondContact O-CB 3.04Å; L1354-Y1358 PolarHBondContact O-N 3.5Å
1355	V	47	Very low	46.3	Very low	48 Å²	48	86 Å²	86	29%	0.291	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-40	175.3	171.9	0	0	0	0	111.1	Q1351 L1352 Y1358 L1359	Q1351-V1355 WeakPolarHBondContact O-CG2 3.14Å; Q1351-V1355 PolarHBondContact O-N 2.94Å; Q1351-V1355 VanDerWaalsContact O-N 3.15Å; L1352-V1355 PolarHBondContact O-N 2.89Å; V1355-Y1358 PolarHBondContact O-N 2.83Å; V1355-L1359 HydrophobicContact CG1-CD1 3.87Å; V1355-L1359 HydrophobicContact CG1-CG 4.38Å; V1355-L1359 WeakPolarHBondContact O-CB 3.45Å; V1355-L1359 VanDerWaalsContact O-CG 3.29Å; V1355-L1359 WeakPolarHBondContact O-CG 3.4Å; V1355-L1359 PolarHBondContact O-N 3.46Å
1356	V	49.8	Very low	46.4	Very low	42 Å²	42	86.3 Å²	86.3	26%	0.255	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-43.8	177.3	169.2	0	0	0	0	111.8	L1352 S1353 Y1358 L1359 K1360	L1352-V1356 VanDerWaalsContact O-CG2 3.29Å; L1352-V1356 WeakPolarHBondContact O-CG2 3.37Å; L1352-V1356 PolarHBondContact O-N 3.3Å; S1353-V1356 PolarHBondContact O-N 3.38Å; V1356-Y1358 VanDerWaalsContact C-N 3.35Å; V1356-L1359 PolarHBondContact O-N 3.48Å; V1356-K1360 WeakPolarHBondContact O-CG 3.32Å; V1356-K1360 PolarHBondContact O-N 3.27Å
1357	E	50	Low	46.5	Very low	113 Å²	113	85.1 Å²	85.1	53%	0.528	43%	0.43	S	S	.	.	H	α-helix	trans	-64.5	-38.9	175.5	-80.6	-65.6	124.9	0	0	112.2	S1353 K1360 Y1361	S1353-E1357 PolarHBondContact O-N 3.23Å; E1357-K1360 PolarHBondContact O-N 2.86Å; E1357-K1360 IonicContact OE1-NZ 3.34Å; E1357-K1360 PolarHBondContact OE1-NZ 3.28Å; E1357-Y1361 PolarHBondContact O-N 3.29Å
1358	Y	49.9	Very low	46.6	Very low	78 Å²	78	88.3 Å²	88.3	31%	0.306	44%	0.444	S	S	.	.	H	α-helix	trans	-67.9	-37.9	176	-175.4	-108.8	0	0	0	112.8	F1250 L1354 V1355 V1356 Y1361 L1362	F1250-Y1358 HydrophobicContact CD1-CE2 4.32Å; F1250-Y1358 AromaticContact CE1-CE2 3.77Å; F1250-Y1358 HydrophobicContact CE1-CE2 3.77Å; F1250-Y1358 AromaticContact CE1-CZ 3.85Å; F1250-Y1358 WeakPolarHBondContact CE1-OH 3.11Å; F1250-Y1358 VanDerWaalsContact CZ-OH 3.28Å; F1250-Y1358 WeakPolarHBondContact CZ-OH 3.42Å; L1354-Y1358 WeakPolarHBondContact O-CB 3.04Å; L1354-Y1358 PolarHBondContact O-N 3.5Å; V1355-Y1358 PolarHBondContact O-N 2.83Å; V1356-Y1358 VanDerWaalsContact C-N 3.35Å; Y1358-Y1361 PolarHBondContact O-N 2.78Å; Y1358-L1362 HydrophobicContact CD1-CD1 3.81Å; Y1358-L1362 HydrophobicContact CD1-CG 4.48Å; Y1358-L1362 HydrophobicContact CE1-CD1 3.31Å; Y1358-L1362 HydrophobicContact CE1-CG 4.08Å; Y1358-L1362 PolarHBondContact O-N 2.94Å
1359	L	46.5	Very low	46.2	Very low	76 Å²	76	91.1 Å²	91.1	40%	0.398	44%	0.444	S	S	.	.	H	α-helix	trans	-67.3	-38.9	174.6	-75.4	169.5	0	0	0	112.2	V1355 V1356 Y1361 L1362 F1363	V1355-L1359 HydrophobicContact CG1-CD1 3.87Å; V1355-L1359 HydrophobicContact CG1-CG 4.38Å; V1355-L1359 WeakPolarHBondContact O-CB 3.45Å; V1355-L1359 VanDerWaalsContact O-CG 3.29Å; V1355-L1359 WeakPolarHBondContact O-CG 3.4Å; V1355-L1359 PolarHBondContact O-N 3.46Å; V1356-L1359 PolarHBondContact O-N 3.48Å; L1359-Y1361 VanDerWaalsContact C-N 3.33Å; L1359-L1362 PolarHBondContact O-N 3.16Å; L1359-F1363 WeakPolarHBondContact O-CD2 3.49Å; L1359-F1363 PolarHBondContact O-N 3.09Å
1360	K	48.4	Very low	45.8	Very low	117 Å²	117	91.8 Å²	91.8	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-43.1	171.9	-72.3	174.5	-173.4	172.7	0	111.6	V1356 E1357 F1363 A1364	V1356-K1360 WeakPolarHBondContact O-CG 3.32Å; V1356-K1360 PolarHBondContact O-N 3.27Å; E1357-K1360 PolarHBondContact O-N 2.86Å; E1357-K1360 IonicContact OE1-NZ 3.34Å; E1357-K1360 PolarHBondContact OE1-NZ 3.28Å; K1360-F1363 PolarHBondContact O-N 3.16Å; K1360-A1364 WeakPolarHBondContact O-CB 3.35Å; K1360-A1364 PolarHBondContact O-N 3.25Å
1361	Y	51.1	Low	45.6	Very low	141 Å²	141	91 Å²	91	55%	0.553	45%	0.451	S	S	*	.	H	α-helix	trans	-62.6	-45.3	176.5	179.4	-99.8	0	0	0	111.9	E1357 Y1358 L1359 F1363 A1364 V1365	E1357-Y1361 PolarHBondContact O-N 3.29Å; Y1358-Y1361 PolarHBondContact O-N 2.78Å; L1359-Y1361 VanDerWaalsContact C-N 3.33Å; Y1361-F1363 PolarHBondContact O-N 3.32Å; Y1361-A1364 PolarHBondContact O-N 3.04Å; Y1361-V1365 HydrophobicContact CD1-CG2 4.27Å; Y1361-V1365 HydrophobicContact CD2-CG2 4.44Å; Y1361-V1365 HydrophobicContact CE1-CG2 3.89Å; Y1361-V1365 HydrophobicContact CE2-CG2 4.08Å; Y1361-V1365 VanDerWaalsContact O-CG2 3.28Å; Y1361-V1365 WeakPolarHBondContact O-CG2 3.49Å; Y1361-V1365 PolarHBondContact O-N 2.92Å
1362	L	45.2	Very low	45.1	Very low	73 Å²	73	89.4 Å²	89.4	38%	0.382	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-39.1	176.7	-77.8	172.6	0	0	0	113.1	Y1358 L1359 V1365 S1366	Y1358-L1362 HydrophobicContact CD1-CD1 3.81Å; Y1358-L1362 HydrophobicContact CD1-CG 4.48Å; Y1358-L1362 HydrophobicContact CE1-CD1 3.31Å; Y1358-L1362 HydrophobicContact CE1-CG 4.08Å; Y1358-L1362 PolarHBondContact O-N 2.94Å; L1359-L1362 PolarHBondContact O-N 3.16Å; L1362-V1365 PolarHBondContact O-N 2.97Å; L1362-S1366 VanDerWaalsContact O-CB 3.31Å; L1362-S1366 WeakPolarHBondContact O-CB 3.43Å; L1362-S1366 PolarHBondContact O-N 2.92Å
1363	F	47.3	Very low	44.4	Very low	154 Å²	154	92.5 Å²	92.5	68%	0.675	49%	0.487	S	S	*	.	H	α-helix	trans	-65.5	-40.7	174.3	-99.4	-82.9	0	0	0	112	L1359 K1360 Y1361 S1366 W1367	L1359-F1363 WeakPolarHBondContact O-CD2 3.49Å; L1359-F1363 PolarHBondContact O-N 3.09Å; K1360-F1363 PolarHBondContact O-N 3.16Å; Y1361-F1363 PolarHBondContact O-N 3.32Å; F1363-S1366 PolarHBondContact O-N 3.11Å; F1363-W1367 VanDerWaalsContact O-CB 3.29Å; F1363-W1367 WeakPolarHBondContact O-CB 3.36Å; F1363-W1367 PolarHBondContact O-N 3.05Å
1364	A	46.8	Very low	43.6	Very low	49 Å²	49	95.5 Å²	95.5	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-42.4	175.2	0	0	0	0	0	111.9	K1360 Y1361 W1367 I1368	K1360-A1364 WeakPolarHBondContact O-CB 3.35Å; K1360-A1364 PolarHBondContact O-N 3.25Å; Y1361-A1364 PolarHBondContact O-N 3.04Å; A1364-W1367 PolarHBondContact O-N 2.74Å; A1364-I1368 WeakPolarHBondContact O-CB 3.39Å; A1364-I1368 WeakPolarHBondContact O-CD1 3.4Å; A1364-I1368 WeakPolarHBondContact O-CG1 3.25Å; A1364-I1368 PolarHBondContact O-N 3.13Å
1365	V	43.9	Very low	42.8	Very low	52 Å²	52	105 Å²	105	32%	0.315	55%	0.545	S	S	.	.	H	α-helix	trans	-69.9	-36.8	178.7	173.5	0	0	0	0	112.1	Y1361 L1362 R1369	Y1361-V1365 HydrophobicContact CD1-CG2 4.27Å; Y1361-V1365 HydrophobicContact CD2-CG2 4.44Å; Y1361-V1365 HydrophobicContact CE1-CG2 3.89Å; Y1361-V1365 HydrophobicContact CE2-CG2 4.08Å; Y1361-V1365 VanDerWaalsContact O-CG2 3.28Å; Y1361-V1365 WeakPolarHBondContact O-CG2 3.49Å; Y1361-V1365 PolarHBondContact O-N 2.92Å; L1362-V1365 PolarHBondContact O-N 2.97Å; V1365-R1369 PolarHBondContact O-N 2.87Å; V1365-R1369 VanDerWaalsContact O-N 3.12Å
1366	S	41.8	Very low	42.6	Very low	64 Å²	64	107.9 Å²	107.9	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-68.3	-40.3	175.2	-171.1	0	0	0	0	112.1	L1362 F1363 R1369 N1370	L1362-S1366 VanDerWaalsContact O-CB 3.31Å; L1362-S1366 WeakPolarHBondContact O-CB 3.43Å; L1362-S1366 PolarHBondContact O-N 2.92Å; F1363-S1366 PolarHBondContact O-N 3.11Å; S1366-R1369 PolarHBondContact O-N 3.48Å; S1366-N1370 PolarHBondContact O-N 2.83Å
1367	W	42.3	Very low	42.2	Very low	182 Å²	182	111.3 Å²	111.3	69%	0.689	57%	0.574	S	S	*	*	H	α-helix	trans	-67.1	-42.4	176.8	-170.3	78.2	0	0	0	112.1	F1363 A1364 R1369 N1370 V1371	F1363-W1367 VanDerWaalsContact O-CB 3.29Å; F1363-W1367 WeakPolarHBondContact O-CB 3.36Å; F1363-W1367 PolarHBondContact O-N 3.05Å; A1364-W1367 PolarHBondContact O-N 2.74Å; W1367-R1369 VanDerWaalsContact C-N 3.27Å; W1367-R1369 PolarHBondContact O-N 2.9Å; W1367-N1370 PolarHBondContact O-N 3.46Å; W1367-V1371 HydrophobicContact CD2-CG2 4.25Å; W1367-V1371 HydrophobicContact CG-CG2 4.5Å; W1367-V1371 HydrophobicContact CZ2-CG2 4.29Å; W1367-V1371 WeakPolarHBondContact O-CG2 3.47Å; W1367-V1371 PolarHBondContact O-N 3.2Å; W1367-V1371 VanDerWaalsContact O-N 3.12Å
1368	I	42.1	Very low	41.8	Very low	117 Å²	117	111.2 Å²	111.2	60%	0.6	58%	0.576	S	S	*	*	H	α-helix	trans	-62.6	-34.3	174.7	-68.8	166.1	0	0	0	111.5	A1364	A1364-I1368 WeakPolarHBondContact O-CB 3.39Å; A1364-I1368 WeakPolarHBondContact O-CD1 3.4Å; A1364-I1368 WeakPolarHBondContact O-CG1 3.25Å; A1364-I1368 PolarHBondContact O-N 3.13Å
1369	R	40.3	Very low	41.3	Very low	125 Å²	125	113.2 Å²	113.2	47%	0.472	59%	0.592	S	S	.	*	H	α-helix	trans	-73.4	-35.3	177.4	-104.5	-179.3	167.1	174.3	-5.9	114	V1365 S1366 W1367	V1365-R1369 PolarHBondContact O-N 2.87Å; V1365-R1369 VanDerWaalsContact O-N 3.12Å; S1366-R1369 PolarHBondContact O-N 3.48Å; W1367-R1369 VanDerWaalsContact C-N 3.27Å; W1367-R1369 PolarHBondContact O-N 2.9Å
1370	N	38.3	Very low	41	Very low	124 Å²	124	115.5 Å²	115.5	66%	0.663	60%	0.604	S	S	*	*	H	α-helix	trans	-85.8	-19.8	-178	-81.9	-11.1	0	0	0	114	S1366 W1367	S1366-N1370 PolarHBondContact O-N 2.83Å; W1367-N1370 PolarHBondContact O-N 3.46Å
1371	V	40.6	Very low	40.5	Very low	84 Å²	84	115.4 Å²	115.4	51%	0.509	61%	0.611	S	S	.	*	H	α-helix	trans	-89.3	-14.8	176.8	-177.6	0	0	0	0	112.3	W1367 S1373	W1367-V1371 HydrophobicContact CD2-CG2 4.25Å; W1367-V1371 HydrophobicContact CG-CG2 4.5Å; W1367-V1371 HydrophobicContact CZ2-CG2 4.29Å; W1367-V1371 WeakPolarHBondContact O-CG2 3.47Å; W1367-V1371 PolarHBondContact O-N 3.2Å; W1367-V1371 VanDerWaalsContact O-N 3.12Å; V1371-S1373 VanDerWaalsContact C-N 3.31Å; V1371-S1373 PolarHBondContact O-N 2.7Å
1372	G	33.6	Very low	39.7	Very low	71 Å²	71	113.6 Å²	113.6	73%	0.732	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	14.1	178.6	0	0	0	0	0	116.7
1373	S	30.7	Very low	39.3	Very low	97 Å²	97	116.7 Å²	116.7	68%	0.678	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	12.3	179	63.7	0	0	0	0	115.1	V1371	V1371-S1373 VanDerWaalsContact C-N 3.31Å; V1371-S1373 PolarHBondContact O-N 2.7Å
1374	V	33.6	Very low	38.6	Very low	128 Å²	128	113.6 Å²	113.6	78%	0.776	63%	0.629	S	S	*	*			trans	-138.2	74.5	166.9	-173.8	0	0	0	0	109.1
1375	Q	29.7	Very low	37.9	Very low	270 Å²	270	119.5 Å²	119.5	100%	1.262	65%	0.649	S	S	*	*			trans	-171.9	0	146.9	-111.5	-178.3	-8.1	0	0	110.8

Retrieved 1,375 of 1,375 residues in 1422.9 ms (Link to these results)

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