A0A3Q0KM02_SCHMA Loading...

Cubilin

AlphaFold DB , UniProt , Accession A0A3Q0KM02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,280 aa.

						>A0A3Q0KM02_SCHMA|A0A3Q0KM02
MASKYSGYLIVFITYHFVFITLLIPIISGYTCNPGAGEILLRSSALNSAEKRVENDITSDSNSKQGNRKYSTKQGTFTSPKWPESYESGTRCVFRFIADVGEKVHIKFDHFVLSGDMPSCSVDFLDVYIDVASSTLDLDRQASILAEASSPLSSSSPNELHTTTPFSAAVYSSVLDKSDLLGRYCGDYLSTNSVTFISLHREIVLDFYSELEKVVNPWYTTGKPTIFGFNGTFEFINDDAFYPGKAVSSSELYIPFEDDITTSTGNATAAPAITSSNCRFRIEADHIVKPNVNGDMTKLDEISGELISPTYPGYHPNNLLCVYQLIGLPYQRISLDILDIDLYSGSPGCPKDFIQFYDGFQIDNTSISRNSIGQRICDHSNNIHIVSTGASLVILFVTGQIQLLNHVNNKKDNVVMNALSTRRRGFRLRYTFTKRLLPVNEVPGGEHVRGTECDYVIKSQGSIEKQFESPTMSNNFVLTPDRVCNFIFIGDQFEQYIESVSIGFEQIELPKSSEGSQICDRGHMAVYGSRLLPGEQINKPTYEYSHEILQSNKEPDHVYCDRSNELESLKIGSGFQHHYYPIVGRHNVLLMRFNSTGTELPGLNMKFILNYRFKKDFGIPGTMINPESCQFMYVNPSQSTTSVFSSSSSSSEPSSSSTSKTNTVNFKGWTNSPLYPNNYPPNSDCLYLITPQNEFAVEQSIRLVFETFATTYRTQSKVSIDSQSELEKFQICNQDFLEIIQLYIPLKEEVISALTSRINFPPLLEVSYDVWIQRWHNLEKELQIYLGTNQHILEPISIYCGKYIPGPIVSDPTATAILMRFHSGQNTTSKGFTLSYEFLPKIPLDPIKSKVVDKPGKKNGGGVDDKHSVKTTSSGLITSPNFPNLYVKDFNYEWYIQGTTEKSRIQLYFNSLDLEGSKMNCSRAVLRIYEDRNPRSSYELCGNPNELLPIVIPNSVARVKMHTATDASGSKGFELIWTDLLPIDPETGCKGFLCENTGYCLYADLECNEVLNCGMYQKDGKWLKDESDEASCSLGLSYNLAHIGTGILLALILLLGIACYIYYREYKRRKHMPLDPLTELTGSKPSLSLNQSAHRLTTHCPNKKQLHKCHNSQSTGLLCDLSDEKEMVFRDIGPIKKHQHQQHYHHHQHRHLLHSHQLPPHTHSHRYHHHSYNKKMTEQSAHSQLINASHDCHSSHFSLDNQHDYCHTIRLNNKTQHRTSSHSGSLVKNGGGTVISDSVHSCGGSNNNTSGLIVGTGRNLSTTADGGLFIREKMQKISIV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	34.3	Very low	249 Å²	249	146.3 Å²	146.3	100%	1.227	79%	0.792	S	S	*	*				0	156.1	0	-78	178.6	168.3	0	0	109.1
2	A	30.2	Very low	34	Very low	105 Å²	105	147.7 Å²	147.7	87%	0.868	79%	0.786	S	S	*	*			trans	-101.2	119.2	162.1	0	0	0	0	0	109.7
3	S	34.5	Very low	33.9	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	79%	0.785	S	S	*	*			trans	-158.8	118.1	152.2	-170	0	0	0	0	106.9
4	K	34.3	Very low	33.8	Very low	167 Å²	167	145.3 Å²	145.3	73%	0.726	78%	0.778	S	S	*	*				69.9	120.5	64.5	-111.4	-176.8	180	-175.4	0	114
5	Y	37.8	Very low	33.6	Very low	206 Å²	206	149.3 Å²	149.3	81%	0.808	78%	0.78	S	S	*	*			trans	63.9	155.2	176.2	-59.8	-87	0	0	0	116.7
6	S	34	Very low	33.4	Very low	116 Å²	116	149.1 Å²	149.1	81%	0.811	77%	0.773	S	S	*	*			cis	-178	142.3	-30.1	-179	0	0	0	0	109.1
7	G	36	Very low	33.6	Very low	53 Å²	53	153.4 Å²	153.4	55%	0.546	79%	0.785	S	S	.	*			trans	148	130.5	155.9	0	0	0	0	0	117.9
8	Y	37.2	Very low	33.5	Very low	220 Å²	220	150.1 Å²	150.1	86%	0.863	77%	0.773	S	S	*	*			trans	61.9	137.2	150.6	-65.4	-96	0	0	0	120
9	L	33.2	Very low	33.5	Very low	131 Å²	131	152.6 Å²	152.6	69%	0.686	78%	0.778	S	S	*	*			cis	-158.3	134	-22.7	-160.4	70.9	0	0	0	111.9
10	I	33.1	Very low	33.8	Very low	120 Å²	120	152.4 Å²	152.4	62%	0.615	78%	0.777	S	S	*	*			trans	-5.2	129.6	143.6	-29.4	172.5	0	0	0	115.1	F12	I10-F12 HydrophobicContact CG2-CD2 3.69Å; I10-F12 HydrophobicContact CG2-CE2 3.98Å
11	V	34.3	Very low	33.8	Very low	135 Å²	135	150.9 Å²	150.9	82%	0.818	78%	0.776	S	S	*	*				172.1	150.7	97.3	150.7	0	0	0	0	108.4
12	F	30.7	Very low	33.7	Very low	163 Å²	163	146.8 Å²	146.8	72%	0.715	76%	0.758	S	S	*	*			cis	175	137	-30.7	-134.7	-51.5	0	0	0	106	I10	I10-F12 HydrophobicContact CG2-CD2 3.69Å; I10-F12 HydrophobicContact CG2-CE2 3.98Å
13	I	33	Very low	33.9	Very low	150 Å²	150	149 Å²	149	77%	0.769	75%	0.754	S	S	*	*			trans	58.6	154.1	172.6	5.9	-178.2	0	0	0	114.9
14	T	32.1	Very low	33.8	Very low	112 Å²	112	152.2 Å²	152.2	69%	0.687	76%	0.761	S	S	*	*			cis	-150	155.1	17	33.8	0	0	0	0	111.6
15	Y	30.7	Very low	33.6	Very low	206 Å²	206	148.9 Å²	148.9	81%	0.808	76%	0.757	S	S	*	*			trans	39	141.5	144.9	-78	-94.7	0	0	0	123.3
16	H	31.6	Very low	33.4	Very low	145 Å²	145	145.7 Å²	145.7	67%	0.671	75%	0.752	S	S	*	*			trans	61.5	94	163.7	-70.7	-73.2	0	0	0	118.3
17	F	36.2	Very low	33.5	Very low	222 Å²	222	148.3 Å²	148.3	97%	0.974	76%	0.755	S	S	*	*				-132.9	148.6	110.3	-106.4	-84.3	0	0	0	109.2
18	V	32	Very low	34.1	Very low	95 Å²	95	149.7 Å²	149.7	58%	0.576	76%	0.757	S	S	*	*			trans	-123.4	157.5	-170.5	-179.8	0	0	0	0	108.9
19	F	32.3	Very low	35.1	Very low	197 Å²	197	140.6 Å²	140.6	86%	0.864	73%	0.729	S	S	*	*			trans	69.6	132.8	-165.4	-54	-90.6	0	0	0	111.9
20	I	40.5	Very low	36.9	Very low	148 Å²	148	138.3 Å²	138.3	76%	0.759	71%	0.712	S	S	*	*			cis	-127.3	134.4	11	-63.2	169.2	0	0	0	110
21	T	34.1	Very low	38.7	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	70%	0.699	S	S	*	*			trans	-105	168.6	162.1	44.1	0	0	0	0	110.2
22	L	30.5	Very low	40.5	Very low	162 Å²	162	129 Å²	129	85%	0.848	66%	0.662	S	S	*	*			trans	75	60.8	171.4	-56.6	160.1	0	0	0	117.4
23	L	34.2	Very low	42	Very low	153 Å²	153	126.7 Å²	126.7	80%	0.801	66%	0.657	S	S	*	*			trans	-137.9	58.5	160.4	-79.7	-178.8	0	0	0	113.3
24	I	32.4	Very low	42.9	Very low	173 Å²	173	124.6 Å²	124.6	89%	0.887	65%	0.653	S	S	*	*			trans	-137.2	87.3	154.6	-51.4	178.8	0	0	0	109.8
25	P	30.4	Very low	43.9	Very low	98 Å²	98	123.7 Å²	123.7	64%	0.636	67%	0.666	S	S	*	*			trans	-108.4	119.4	164.4	23.7	-5.6	0	0	0	111.5
26	I	32.9	Very low	45.1	Very low	138 Å²	138	116.3 Å²	116.3	71%	0.708	65%	0.648	S	S	*	*			trans	60.3	90.8	143.1	-47.1	169.5	0	0	0	116.3	S28	I26-S28 PolarHBondContact O-N 2.97Å
27	I	35.7	Very low	46.5	Very low	171 Å²	171	111.6 Å²	111.6	88%	0.877	64%	0.638	S	S	*	*			trans	-80.6	86.4	152.4	-57.9	173.8	0	0	0	107.4	G29	I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 3.25Å
28	S	48.7	Very low	48.2	Very low	83 Å²	83	104 Å²	104	58%	0.58	61%	0.605	S	S	*	*			trans	-89.7	67.8	174.9	51.9	0	0	0	0	111.3	I26	I26-S28 PolarHBondContact O-N 2.97Å
29	G	57.5	Low	50.3	Low	28 Å²	28	100.6 Å²	100.6	29%	0.289	58%	0.584	S	S	.	*			trans	-76.1	138.9	166.8	0	0	0	0	0	110.7	I27 T31 T76	I27-G29 VanDerWaalsContact C-N 3.34Å; I27-G29 PolarHBondContact O-N 3.25Å; G29-T31 PolarHBondContact O-N 2.67Å; G29-T76 WeakPolarHBondContact CA-OG1 3.47Å
30	Y	72	Confident	52.5	Low	84 Å²	84	95.1 Å²	95.1	33%	0.329	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	115.1	-179.7	-65.3	-89.4	0	0	0	110.4	L41 T76 F77 T78 F233	Y30-L41 HydrophobicContact CD1-CD2 3.61Å; Y30-L41 HydrophobicContact CD2-CD2 3.7Å; Y30-L41 HydrophobicContact CE1-CD2 3.53Å; Y30-L41 HydrophobicContact CE2-CD2 3.62Å; Y30-L41 HydrophobicContact CG-CD2 3.68Å; Y30-T76 WeakPolarHBondContact CD2-O 3.05Å; Y30-T76 PolarHBondContact N-O 3.41Å; Y30-F77 CarbonylContact O-C 3.54Å; Y30-F77 VanDerWaalsContact O-CA 3.26Å; Y30-F77 WeakPolarHBondContact O-CA 3.38Å; Y30-T78 PolarHBondContact O-N 3.14Å; Y30-F233 AromaticContact CD2-CE1 3.95Å; Y30-F233 HydrophobicContact CD2-CE1 3.95Å; Y30-F233 HydrophobicContact CD2-CZ 4.17Å; Y30-F233 HydrophobicContact CE2-CE1 4.21Å; Y30-F233 AromaticContact CE2-CZ 3.97Å; Y30-F233 HydrophobicContact CE2-CZ 3.97Å
31	T	71.4	Confident	54.6	Low	54 Å²	54	88.3 Å²	88.3	33%	0.331	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.4	-177.9	-162	0	0	0	0	111.1	G29 T78 S79	G29-T31 PolarHBondContact O-N 2.67Å; T31-T78 VanDerWaalsContact CB-OG1 3.28Å; T31-T78 WeakPolarHBondContact CB-OG1 3.31Å; T31-T78 PolarHBondContact OG1-O 2.94Å; T31-T78 PolarHBondContact OG1-OG1 3.24Å; T31-T78 VanDerWaalsContact OG1-OG1 3.1Å; T31-S79 PolarHBondContact OG1-O 2.84Å
32	C	71.5	Confident	56.8	Low	5 Å²	5	88.1 Å²	88.1	3%	0.034	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-80.9	123.8	178.5	-108.4	0	0	0	0	110.7	A36 I39 P80 C92	C32-A36 PolarHBondContact SG-O 3.41Å; C32-A36 VanDerWaalsContact SG-O 3.4Å; C32-I39 HydrophobicContact CB-CD1 4.11Å; C32-P80 HydrophobicContact CB-CG 3.64Å; C32-P80 WeakPolarHBondContact O-CB 3.4Å; C32-P80 WeakPolarHBondContact O-CG 3.05Å; C32-C92 HydrophobicContact CB-CB 3.61Å; C32-C92 WeakPolarHBondContact CB-SG 3.37Å; C32-C92 WeakPolarHBondContact SG-CB 3.33Å; C32-C92 CovalentContact SG-SG 2.02Å; C32-C92 PolarHBondContact SG-SG 3.33Å
33	N	63.5	Low	59.1	Low	114 Å²	114	80.4 Å²	80.4	61%	0.61	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-81.4	136	167	-72.1	-33.7	0	0	0	109.1	G35 A36	N33-G35 PolarHBondContact O-N 3.41Å; N33-G35 VanDerWaalsContact O-N 3.13Å; N33-A36 HydrophobicContact CB-CB 4.48Å; N33-A36 PolarHBondContact O-N 2.99Å
34	P	51.1	Low	60.8	Low	107 Å²	107	76 Å²	76	70%	0.695	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	120.6	174.9	23.6	-32.5	0	0	0	110
35	G	52	Low	62.3	Low	93 Å²	93	70.4 Å²	70.4	96%	0.959	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.8	-16.9	-172.3	0	0	0	0	0	115.2	N33	N33-G35 PolarHBondContact O-N 3.41Å; N33-G35 VanDerWaalsContact O-N 3.13Å
36	A	56	Low	63.9	Low	51 Å²	51	67.4 Å²	67.4	42%	0.421	41%	0.413	S	S	.	.			trans	-107.4	93.2	173.2	0	0	0	0	0	109.9	C32 N33 E38	C32-A36 PolarHBondContact SG-O 3.41Å; C32-A36 VanDerWaalsContact SG-O 3.4Å; N33-A36 HydrophobicContact CB-CB 4.48Å; N33-A36 PolarHBondContact O-N 2.99Å; A36-E38 PolarHBondContact O-N 3.07Å
37	G	61.9	Low	64.8	Low	46 Å²	46	64.6 Å²	64.6	47%	0.474	40%	0.4	S	S	.	.			trans	-78.7	-8.9	-167.7	0	0	0	0	0	117.3	V93	G37-V93 PolarHBondContact O-N 3.25Å
38	E	71	Confident	65.2	Low	61 Å²	61	60.5 Å²	60.5	29%	0.285	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.1	-179	-171.7	-175	170.4	0	0	110.9	A36 V93	A36-E38 PolarHBondContact O-N 3.07Å; E38-V93 CarbonylContact C-O 3.57Å; E38-V93 WeakPolarHBondContact CA-O 3.31Å; E38-V93 HydrophobicContact CG-CB 4.45Å
39	I	77.1	Confident	64.8	Low	24 Å²	24	60 Å²	60	12%	0.123	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.4	172.2	-65.3	174.3	0	0	0	108.8	C32 L41 V93 F94 R95	C32-I39 HydrophobicContact CB-CD1 4.11Å; I39-L41 HydrophobicContact CG2-CD1 4.37Å; I39-L41 HydrophobicContact CG2-CG 4.12Å; I39-V93 PolarHBondContact N-O 3.3Å; I39-F94 HydrophobicContact CB-CD1 4.35Å; I39-F94 HydrophobicContact CD1-CD1 3.97Å; I39-F94 HydrophobicContact CD1-CE1 3.69Å; I39-F94 HydrophobicContact CD1-CZ 4.34Å; I39-R95 PolarHBondContact O-N 3.01Å
40	L	79	Confident	63.9	Low	83 Å²	83	65.3 Å²	65.3	44%	0.435	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.5	-178.9	-175.1	64.6	0	0	0	111.8	R42 R95 I97	L40-R42 HydrophobicContact CG-CG 4.28Å; L40-R95 HydrophobicContact CD1-CB 4.18Å; L40-R95 HydrophobicContact CD1-CG 3.85Å; L40-I97 HydrophobicContact CD1-CD1 3.74Å; L40-I97 HydrophobicContact CD1-CG1 4.42Å
41	L	82.8	Confident	62	Low	4 Å²	4	70 Å²	70	2%	0.021	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103.9	-178.9	-71.7	168.6	0	0	0	110.4	Y30 I39 R95 F96 I97 F233	Y30-L41 HydrophobicContact CD1-CD2 3.61Å; Y30-L41 HydrophobicContact CD2-CD2 3.7Å; Y30-L41 HydrophobicContact CE1-CD2 3.53Å; Y30-L41 HydrophobicContact CE2-CD2 3.62Å; Y30-L41 HydrophobicContact CG-CD2 3.68Å; I39-L41 HydrophobicContact CG2-CD1 4.37Å; I39-L41 HydrophobicContact CG2-CG 4.12Å; L41-R95 PolarHBondContact N-O 3.36Å; L41-F96 HydrophobicContact CB-CD1 4.11Å; L41-F96 HydrophobicContact CD1-CD1 3.65Å; L41-F96 HydrophobicContact CD1-CE1 3.32Å; L41-F96 HydrophobicContact CD1-CG 4.48Å; L41-F96 HydrophobicContact CD1-CZ 3.91Å; L41-F96 CarbonylContact O-C 3.58Å; L41-F96 WeakPolarHBondContact O-CA 3.36Å; L41-I97 PolarHBondContact O-N 2.88Å; L41-F233 HydrophobicContact CD1-CD1 4.37Å; L41-F233 HydrophobicContact CD1-CE1 3.92Å; L41-F233 HydrophobicContact CD1-CZ 4.12Å; L41-F233 HydrophobicContact CD2-CE1 4.43Å; L41-F233 HydrophobicContact CD2-CZ 4.02Å
42	R	81.2	Confident	60.2	Low	119 Å²	119	78.5 Å²	78.5	45%	0.449	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.3	176.6	-62.6	-170.2	172.1	-165.6	-2.5	111.3	L40 S44 A45 L46 I97	L40-R42 HydrophobicContact CG-CG 4.28Å; R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.02Å; R42-A45 HydrophobicContact CB-CB 4.08Å; R42-A45 WeakPolarHBondContact O-CB 3.25Å; R42-A45 PolarHBondContact O-N 3.08Å; R42-L46 PolarHBondContact O-N 3.24Å; R42-I97 CarbonylContact C-O 3.56Å; R42-I97 WeakPolarHBondContact CA-O 2.86Å; R42-I97 HydrophobicContact CG-CB 4.23Å; R42-I97 HydrophobicContact CG-CD1 4.45Å
43	S	78	Confident	58.5	Low	0 Å²	0	84.5 Å²	84.5	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-50.8	-47.3	171.6	178	0	0	0	0	111.8	A45 L46 K73 I97 D99 E102	S43-A45 PolarHBondContact O-N 3.37Å; S43-A45 VanDerWaalsContact O-N 3.1Å; S43-L46 PolarHBondContact O-N 3.06Å; S43-K73 WeakPolarHBondContact OG-CD 3.33Å; S43-K73 WeakPolarHBondContact OG-CE 3.2Å; S43-K73 PolarHBondContact OG-NZ 3.49Å; S43-I97 PolarHBondContact N-O 3.31Å; S43-D99 PolarHBondContact OG-OD2 3.24Å; S43-E102 WeakPolarHBondContact CB-OE2 3.35Å; S43-E102 PolarHBondContact OG-OE2 3.44Å
44	S	71	Confident	57.1	Low	61 Å²	61	88 Å²	88	43%	0.427	50%	0.501	S	S	.	.	H	α-helix	trans	-55.6	-25.7	173.1	74.8	0	0	0	0	115.5	R42 D99	R42-S44 VanDerWaalsContact C-N 3.27Å; R42-S44 PolarHBondContact O-N 3.02Å; S44-D99 WeakPolarHBondContact CB-OD1 3.2Å; S44-D99 PolarHBondContact N-OD1 3.21Å; S44-D99 PolarHBondContact N-OD2 3.49Å
45	A	63.8	Low	56.1	Low	54 Å²	54	90.6 Å²	90.6	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-84.4	-32.6	-175	0	0	0	0	0	113	R42 S43 N47 S48 A49	R42-A45 HydrophobicContact CB-CB 4.08Å; R42-A45 WeakPolarHBondContact O-CB 3.25Å; R42-A45 PolarHBondContact O-N 3.08Å; S43-A45 PolarHBondContact O-N 3.37Å; S43-A45 VanDerWaalsContact O-N 3.1Å; A45-N47 VanDerWaalsContact C-N 3.26Å; A45-N47 PolarHBondContact O-N 3.29Å; A45-S48 PolarHBondContact O-N 2.92Å; A45-A49 PolarHBondContact O-N 3.33Å
46	L	64.1	Low	55.1	Low	35 Å²	35	93.4 Å²	93.4	18%	0.183	50%	0.503	C	S	.	.	H	α-helix	trans	-60	-39.6	174.8	-74.8	123.2	0	0	0	111.2	R42 S43 S48 A49 F233 F235	R42-L46 PolarHBondContact O-N 3.24Å; S43-L46 PolarHBondContact O-N 3.06Å; L46-S48 PolarHBondContact O-N 3.2Å; L46-A49 PolarHBondContact O-N 2.65Å; L46-F233 HydrophobicContact CD1-CE2 4.27Å; L46-F235 HydrophobicContact CD1-CD2 4.08Å; L46-F235 HydrophobicContact CD1-CE2 3.58Å
47	N	50.5	Low	54.3	Low	79 Å²	79	97.9 Å²	97.9	42%	0.422	52%	0.518	S	S	.	.	H	α-helix	trans	-56.7	-18	173.1	-59	-34.9	0	0	0	114.2	A45 K73	A45-N47 VanDerWaalsContact C-N 3.26Å; A45-N47 PolarHBondContact O-N 3.29Å; N47-K73 WeakPolarHBondContact OD1-CE 2.98Å
48	S	44.7	Very low	53.1	Low	86 Å²	86	101.3 Å²	101.3	60%	0.601	53%	0.53	S	S	*	.	H	α-helix	trans	-106.5	-9.1	-176.4	-166.4	0	0	0	0	114.1	A45 L46	A45-S48 PolarHBondContact O-N 2.92Å; L46-S48 PolarHBondContact O-N 3.2Å
49	A	41.2	Very low	51.2	Low	71 Å²	71	103.8 Å²	103.8	59%	0.587	55%	0.554	S	S	*	*	H	α-helix	trans	-80.2	-44.3	175.4	0	0	0	0	0	111.6	A45 L46 K51	A45-A49 PolarHBondContact O-N 3.33Å; L46-A49 PolarHBondContact O-N 2.65Å; A49-K51 VanDerWaalsContact C-N 3.26Å; A49-K51 PolarHBondContact O-N 3.28Å
50	E	37.7	Very low	49.3	Very low	141 Å²	141	110.5 Å²	110.5	66%	0.659	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-66.2	-29.6	-179.8	-162	163.2	-139.2	0	0	111.9	R52 S71	E50-R52 PolarHBondContact O-N 2.66Å; E50-S71 PolarHBondContact OE2-OG 3.3Å
51	K	33.5	Very low	47.1	Very low	182 Å²	182	110.5 Å²	110.5	79%	0.791	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-78.4	18.1	-172.2	-141.9	173.1	-170.8	175.4	0	115.9	A49	A49-K51 VanDerWaalsContact C-N 3.26Å; A49-K51 PolarHBondContact O-N 3.28Å
52	R	32.2	Very low	44.7	Very low	232 Å²	232	117.6 Å²	117.6	88%	0.875	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-112	4.4	-177.6	-134.9	176.7	-163.3	161.3	5.4	114.4	E50	E50-R52 PolarHBondContact O-N 2.66Å
53	V	36.1	Very low	42.4	Very low	132 Å²	132	118 Å²	118	80%	0.8	66%	0.656	S	S	*	*	S	Bend	trans	-115.8	-24.6	-175.1	-177.7	0	0	0	0	112.8	N55	V53-N55 PolarHBondContact O-N 2.82Å
54	E	33.5	Very low	40.2	Very low	186 Å²	186	127.4 Å²	127.4	87%	0.869	70%	0.697	S	S	*	*			trans	-102.7	78.6	-173.7	-165.1	166.5	-132	0	0	111.4
55	N	30.4	Very low	38.1	Very low	163 Å²	163	134.2 Å²	134.2	87%	0.872	72%	0.722	S	S	*	*			trans	-140.4	46.9	-176.6	-125.1	9.1	0	0	0	111.7	V53	V53-N55 PolarHBondContact O-N 2.82Å
56	D	30.6	Very low	36.4	Very low	152 Å²	152	135 Å²	135	81%	0.813	74%	0.735	S	S	*	*			trans	-151.7	164.4	171.8	-145.7	-24.4	0	0	0	111.3
57	I	39.6	Very low	34.6	Very low	145 Å²	145	141 Å²	141	74%	0.744	77%	0.768	S	S	*	*			trans	68.7	76.9	176.2	-45.1	179.1	0	0	0	116.2
58	T	36.9	Very low	33.6	Very low	118 Å²	118	148.3 Å²	148.3	72%	0.724	79%	0.789	S	S	*	*			trans	22.7	112.7	131	57.8	0	0	0	0	120.7
59	S	32	Very low	32.7	Very low	113 Å²	113	153.6 Å²	153.6	79%	0.79	80%	0.801	S	S	*	*			trans	23.1	118.6	131.8	61.3	0	0	0	0	120.8
60	D	36.1	Very low	32.4	Very low	164 Å²	164	160.2 Å²	160.2	88%	0.877	81%	0.812	S	S	*	*				-150.4	177.1	121.3	-145.5	-28	0	0	0	110.9
61	S	34.2	Very low	32.7	Very low	84 Å²	84	157 Å²	157	59%	0.587	81%	0.805	S	S	*	*			trans	-114.4	161.5	-162.3	65.2	0	0	0	0	114.5
62	N	32.3	Very low	33.5	Very low	153 Å²	153	152.8 Å²	152.8	82%	0.818	80%	0.795	S	S	*	*			trans	63.2	86.9	164.6	-60	-62	0	0	0	118.3
63	S	32.9	Very low	35.5	Very low	127 Å²	127	143.4 Å²	143.4	89%	0.888	76%	0.761	S	S	*	*			trans	-147.2	164	143.6	71.6	0	0	0	0	113.2
64	K	30.4	Very low	37.8	Very low	198 Å²	198	142.1 Å²	142.1	86%	0.861	75%	0.746	S	S	*	*			trans	-83.3	139.9	-162.3	-61.6	164.9	-179.7	172.6	0	112.9	G66	K64-G66 PolarHBondContact O-N 3.37Å
65	Q	28.5	Very low	40.3	Very low	203 Å²	203	134.2 Å²	134.2	95%	0.949	72%	0.715	S	S	*	*			trans	33.7	87.1	137.1	-166.5	169.9	3.9	0	0	116.7
66	G	27	Very low	43	Very low	70 Å²	70	128.6 Å²	128.6	72%	0.722	69%	0.686	S	S	*	*			trans	-136.8	158.4	172	0	0	0	0	0	112	K64 R68	K64-G66 PolarHBondContact O-N 3.37Å; G66-R68 PolarHBondContact O-N 2.03Å
67	N	27.3	Very low	45.8	Very low	163 Å²	163	121.4 Å²	121.4	87%	0.872	65%	0.648	S	S	*	*			trans	-47.9	124.1	-173.6	-75.9	-27	0	0	0	114.3	K69	N67-K69 VanDerWaalsContact C-N 3.34Å; N67-K69 PolarHBondContact O-N 2.8Å
68	R	27.9	Very low	48.2	Very low	231 Å²	231	115.2 Å²	115.2	87%	0.872	62%	0.617	S	S	*	*			trans	-68.9	96.6	151.7	-83	-172.7	177.2	168.5	0.3	108.1	G66 Y70	G66-R68 PolarHBondContact O-N 2.03Å; R68-Y70 PolarHBondContact O-N 2.9Å
69	K	26.4	Very low	50.7	Low	197 Å²	197	109.6 Å²	109.6	86%	0.857	58%	0.583	S	S	*	*			trans	-69.6	105.1	169.5	-170.9	-176.6	-178.7	-169.3	0	107.6	N67 S71	N67-K69 VanDerWaalsContact C-N 3.34Å; N67-K69 PolarHBondContact O-N 2.8Å; K69-S71 PolarHBondContact O-N 3.03Å
70	Y	36.2	Very low	53.2	Low	210 Å²	210	104.7 Å²	104.7	82%	0.824	55%	0.548	S	S	*	.			trans	-59.9	126.8	174.9	-72.1	-92.2	0	0	0	109.2	R68	R68-Y70 PolarHBondContact O-N 2.9Å
71	S	42.4	Very low	55.4	Low	73 Å²	73	101.6 Å²	101.6	51%	0.51	53%	0.526	S	S	.	.			trans	-73.9	134.1	172.5	-165.7	0	0	0	0	108.8	E50 K69 K73	E50-S71 PolarHBondContact OE2-OG 3.3Å; K69-S71 PolarHBondContact O-N 3.03Å; S71-K73 PolarHBondContact O-N 2.91Å
72	T	51.1	Low	57.6	Low	95 Å²	95	100.7 Å²	100.7	58%	0.583	51%	0.51	S	S	*	.			trans	-75.8	106.6	-175.1	46.2	0	0	0	0	110.1	Q74	T72-Q74 PolarHBondContact O-N 3.05Å
73	K	74.8	Confident	60.1	Low	35 Å²	35	97.8 Å²	97.8	15%	0.152	50%	0.5	C	S	.	.			trans	-73.8	72.9	176.8	-62.9	-168.3	-178.2	176.5	0	111.2	S43 N47 S71 D99 E102 E234 F235	S43-K73 WeakPolarHBondContact OG-CD 3.33Å; S43-K73 WeakPolarHBondContact OG-CE 3.2Å; S43-K73 PolarHBondContact OG-NZ 3.49Å; N47-K73 WeakPolarHBondContact OD1-CE 2.98Å; S71-K73 PolarHBondContact O-N 2.91Å; K73-D99 IonicContact NZ-OD2 3.12Å; K73-D99 PolarHBondContact NZ-OD2 3.41Å; K73-E102 WeakPolarHBondContact CE-OE1 3.42Å; K73-E102 VanDerWaalsContact NZ-CD 3.3Å; K73-E102 IonicContact NZ-OE1 2.6Å; K73-E102 PolarHBondContact NZ-OE1 3.07Å; K73-E102 IonicContact NZ-OE2 2.68Å; K73-E102 PolarHBondContact NZ-OE2 3.32Å; K73-E102 VanDerWaalsContact NZ-OE2 3.12Å; K73-E234 WeakPolarHBondContact O-CA 3.42Å; K73-F235 HydrophobicContact CB-CB 4.01Å; K73-F235 HydrophobicContact CB-CD2 4.09Å; K73-F235 HydrophobicContact CD-CB 4.37Å; K73-F235 PolarHBondContact O-N 2.71Å
74	Q	84.4	Confident	62.5	Low	104 Å²	104	98.2 Å²	98.2	49%	0.486	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	162	-173.6	71.8	-172.3	23.1	0	0	112	T72 F233 E234	T72-Q74 PolarHBondContact O-N 3.05Å; Q74-F233 CarbonylContact C-O 3.39Å; Q74-F233 VanDerWaalsContact CA-O 3.22Å; Q74-F233 WeakPolarHBondContact CA-O 3.47Å; Q74-F233 WeakPolarHBondContact CB-O 3.22Å; Q74-E234 HydrophobicContact CB-CB 4.02Å
75	G	85.3	Confident	64.9	Low	20 Å²	20	91 Å²	91	21%	0.206	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-175.1	174.8	0	0	0	0	0	113.8	T232 F233	G75-T232 WeakPolarHBondContact O-CA 3.39Å; G75-F233 VanDerWaalsContact C-CD1 3.48Å; G75-F233 VanDerWaalsContact C-CE1 3.4Å; G75-F233 PolarHBondContact N-O 2.85Å; G75-F233 WeakPolarHBondContact O-CD1 3.26Å; G75-F233 PolarHBondContact O-N 3.24Å
76	T	86.6	Confident	67.6	Low	46 Å²	46	82 Å²	82	28%	0.282	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.6	175.7	51.6	0	0	0	0	111.4	G29 Y30 G231 T232	G29-T76 WeakPolarHBondContact CA-OG1 3.47Å; Y30-T76 WeakPolarHBondContact CD2-O 3.05Å; Y30-T76 PolarHBondContact N-O 3.41Å; T76-G231 CarbonylContact C-O 3.54Å; T76-G231 VanDerWaalsContact CA-O 3.28Å; T76-G231 WeakPolarHBondContact CA-O 3.41Å; T76-T232 HydrophobicContact CG2-CG2 3.83Å
77	F	90	Very high	70.1	Confident	0 Å²	0	83 Å²	83	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.7	176.1	72	-76.3	0	0	0	110.5	Y30 F94 F96 I106 F108 L205 F229 G231 F233	Y30-F77 CarbonylContact O-C 3.54Å; Y30-F77 VanDerWaalsContact O-CA 3.26Å; Y30-F77 WeakPolarHBondContact O-CA 3.38Å; F77-F94 HydrophobicContact CB-CD1 4.14Å; F77-F94 HydrophobicContact CB-CE1 4.03Å; F77-F94 HydrophobicContact CD2-CD1 4.01Å; F77-F94 HydrophobicContact CD2-CE1 4Å; F77-F94 HydrophobicContact CD2-CG 4.42Å; F77-F94 HydrophobicContact CD2-CZ 4.42Å; F77-F94 HydrophobicContact CG-CD1 4.47Å; F77-F96 HydrophobicContact CD1-CE1 4.39Å; F77-F96 HydrophobicContact CD1-CZ 4.05Å; F77-F96 HydrophobicContact CD2-CZ 4.28Å; F77-F96 HydrophobicContact CE1-CZ 4.35Å; F77-F96 HydrophobicContact CG-CZ 4.02Å; F77-I106 HydrophobicContact CE1-CG2 3.66Å; F77-I106 HydrophobicContact CZ-CG2 3.63Å; F77-F108 AromaticContact CE2-CE1 3.86Å; F77-F108 HydrophobicContact CE2-CE1 3.86Å; F77-F108 AromaticContact CE2-CZ 3.96Å; F77-F108 HydrophobicContact CE2-CZ 3.96Å; F77-F108 HydrophobicContact CZ-CD1 4.39Å; F77-F108 AromaticContact CZ-CE1 3.77Å; F77-F108 HydrophobicContact CZ-CE1 3.77Å; F77-F108 HydrophobicContact CZ-CE2 4.28Å; F77-F108 AromaticContact CZ-CZ 3.7Å; F77-F108 HydrophobicContact CZ-CZ 3.7Å; F77-L205 HydrophobicContact CD2-CD1 4.41Å; F77-L205 HydrophobicContact CE2-CD1 3.63Å; F77-L205 HydrophobicContact CZ-CD1 3.99Å; F77-F229 HydrophobicContact CD2-CE2 4.23Å; F77-F229 HydrophobicContact CE2-CD2 4.32Å; F77-F229 HydrophobicContact CE2-CE2 4.15Å; F77-G231 VanDerWaalsContact CD1-O 3.31Å; F77-G231 WeakPolarHBondContact CD1-O 3.33Å; F77-G231 VanDerWaalsContact CE1-C 3.41Å; F77-G231 VanDerWaalsContact CE1-CA 3.47Å; F77-G231 PolarHBondContact N-O 2.89Å; F77-G231 PolarHBondContact O-N 2.68Å; F77-F233 HydrophobicContact CD1-CD1 4.21Å
78	T	89.8	Confident	72.4	Confident	16 Å²	16	77.1 Å²	77.1	10%	0.098	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.6	-172.8	65.1	0	0	0	0	113.5	Y30 T31 W82 F94 F229 N230	Y30-T78 PolarHBondContact O-N 3.14Å; T31-T78 VanDerWaalsContact CB-OG1 3.28Å; T31-T78 WeakPolarHBondContact CB-OG1 3.31Å; T31-T78 PolarHBondContact OG1-O 2.94Å; T31-T78 PolarHBondContact OG1-OG1 3.24Å; T31-T78 VanDerWaalsContact OG1-OG1 3.1Å; T78-W82 HydrophobicContact CG2-CB 4.33Å; T78-W82 HydrophobicContact CG2-CG 4.15Å; T78-F94 WeakPolarHBondContact O-CZ 3.25Å; T78-F229 WeakPolarHBondContact CA-O 3.46Å; T78-N230 HydrophobicContact CG2-CB 4.13Å; T78-N230 WeakPolarHBondContact CG2-OD1 3.37Å
79	S	88.2	Confident	74.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.353	C	S	.	.			trans	-59.9	150.9	166.8	61.7	0	0	0	0	110.7	T31 K81 W82 G228 F229	T31-S79 PolarHBondContact OG1-O 2.84Å; S79-K81 PolarHBondContact O-N 3Å; S79-W82 VanDerWaalsContact O-CB 3.24Å; S79-W82 WeakPolarHBondContact O-CB 3.29Å; S79-W82 PolarHBondContact O-N 3.41Å; S79-W82 VanDerWaalsContact O-N 3.13Å; S79-G228 VanDerWaalsContact OG-CA 3.32Å; S79-G228 WeakPolarHBondContact OG-CA 3.31Å; S79-F229 PolarHBondContact N-O 3.21Å; S79-F229 PolarHBondContact OG-N 3.38Å; S79-F229 PolarHBondContact OG-O 3.13Å
80	P	84.8	Confident	77.1	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.058	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	139.6	175.8	-31.2	40.3	0	0	0	112.6	C32 W82 T90	C32-P80 HydrophobicContact CB-CG 3.64Å; C32-P80 WeakPolarHBondContact O-CB 3.4Å; C32-P80 WeakPolarHBondContact O-CG 3.05Å; P80-W82 PolarHBondContact O-N 3.41Å; P80-T90 HydrophobicContact CB-CG2 4.49Å; P80-T90 HydrophobicContact CG-CG2 3.79Å
81	K	82.6	Confident	79.4	Confident	99 Å²	99	55.8 Å²	55.8	43%	0.43	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	-1.6	-175.5	-55.2	-169.2	178	-176.8	0	117.8	S79 E84 E87	S79-K81 PolarHBondContact O-N 3Å; K81-E84 CarbonylContact C-O 3.45Å; K81-E84 HydrophobicContact CB-CB 4.18Å; K81-E84 WeakPolarHBondContact O-CA 3.43Å; K81-E84 WeakPolarHBondContact O-CB 3.04Å; K81-E84 PolarHBondContact O-N 2.89Å; K81-E87 HydrophobicContact CD-CG 4.3Å; K81-E87 VanDerWaalsContact CE-CD 3.44Å; K81-E87 WeakPolarHBondContact CE-OE1 3.46Å; K81-E87 IonicContact NZ-OE1 3.54Å; K81-E87 PolarHBondContact NZ-OE1 3.21Å; K81-E87 IonicContact NZ-OE2 2.76Å
82	W	80.6	Confident	81.4	Confident	65 Å²	65	52.3 Å²	52.3	25%	0.246	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	128.9	178.4	-178.6	-95.1	0	0	0	112.2	T78 S79 P80 E84 H110 I226 N230	T78-W82 HydrophobicContact CG2-CB 4.33Å; T78-W82 HydrophobicContact CG2-CG 4.15Å; S79-W82 VanDerWaalsContact O-CB 3.24Å; S79-W82 WeakPolarHBondContact O-CB 3.29Å; S79-W82 PolarHBondContact O-N 3.41Å; S79-W82 VanDerWaalsContact O-N 3.13Å; P80-W82 PolarHBondContact O-N 3.41Å; W82-E84 WeakPolarHBondContact CA-O 3.34Å; W82-E84 PolarHBondContact N-O 3.33Å; W82-H110 HydrophobicContact CH2-CB 3.81Å; W82-H110 AromaticContact CH2-CD2 3.74Å; W82-H110 AromaticContact CH2-CE1 3.52Å; W82-H110 AromaticContact CH2-CG 3.33Å; W82-H110 AromaticContact CH2-ND1 3.2Å; W82-H110 WeakPolarHBondContact CH2-ND1 3.49Å; W82-H110 AromaticContact CH2-NE2 3.85Å; W82-H110 HydrophobicContact CZ2-CB 3.93Å; W82-H110 AromaticContact CZ2-CG 3.96Å; W82-H110 AromaticContact CZ3-CE1 3.7Å; W82-H110 AromaticContact CZ3-ND1 3.42Å; W82-H110 WeakPolarHBondContact CZ3-ND1 3.33Å; W82-I226 HydrophobicContact CZ3-CG2 4.24Å; W82-N230 HydrophobicContact CD2-CB 4.3Å; W82-N230 HydrophobicContact CG-CB 4.47Å; W82-N230 HydrophobicContact CZ2-CB 4.22Å
83	P	85.6	Confident	83	Confident	92 Å²	92	48.9 Å²	48.9	60%	0.597	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.8	11.9	15	38.3	-38.4	0	0	0	116.1	I226	P83-I226 WeakPolarHBondContact O-CG2 3.39Å
84	E	82	Confident	83.6	Confident	136 Å²	136	47.2 Å²	47.2	64%	0.636	25%	0.25	S	S	*	.	S	Bend	trans	-80.7	169.9	161.8	-56.8	-173.8	170.1	0	0	110.5	K81 W82	K81-E84 CarbonylContact C-O 3.45Å; K81-E84 HydrophobicContact CB-CB 4.18Å; K81-E84 WeakPolarHBondContact O-CA 3.43Å; K81-E84 WeakPolarHBondContact O-CB 3.04Å; K81-E84 PolarHBondContact O-N 2.89Å; W82-E84 WeakPolarHBondContact CA-O 3.34Å; W82-E84 PolarHBondContact N-O 3.33Å
85	S	82.5	Confident	83.7	Confident	47 Å²	47	43.3 Å²	43.3	33%	0.329	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-81.4	145.3	177.6	-70.3	0	0	0	0	113.7	F227	S85-F227 WeakPolarHBondContact CA-O 3.34Å; S85-F227 VanDerWaalsContact CB-O 3.31Å; S85-F227 WeakPolarHBondContact CB-O 3.19Å; S85-F227 PolarHBondContact OG-N 3.42Å; S85-F227 PolarHBondContact OG-O 2.84Å
86	Y	84.7	Confident	83.8	Confident	14 Å²	14	42.3 Å²	42.3	6%	0.055	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-63.4	161.7	175.8	56	-96.6	0	0	0	112.6	L113 S114 D123 F207 S209 F227	Y86-L113 HydrophobicContact CD1-CD2 4.45Å; Y86-L113 HydrophobicContact CE1-CD2 3.52Å; Y86-S114 PolarHBondContact OH-N 2.91Å; Y86-D123 VanDerWaalsContact CE2-OD2 3.24Å; Y86-D123 WeakPolarHBondContact CE2-OD2 3.2Å; Y86-D123 VanDerWaalsContact CZ-OD2 3.3Å; Y86-D123 PolarHBondContact OH-OD2 2.02Å; Y86-F207 HydrophobicContact CD1-CE1 4.48Å; Y86-F207 AromaticContact CD1-CZ 3.88Å; Y86-F207 HydrophobicContact CD1-CZ 3.88Å; Y86-F207 HydrophobicContact CD2-CE1 4.46Å; Y86-F207 AromaticContact CD2-CZ 3.84Å; Y86-F207 HydrophobicContact CD2-CZ 3.84Å; Y86-F207 HydrophobicContact CE1-CZ 4.02Å; Y86-F207 AromaticContact CE2-CZ 3.99Å; Y86-F207 HydrophobicContact CE2-CZ 3.99Å; Y86-F207 HydrophobicContact CG-CE1 4.2Å; Y86-F207 AromaticContact CG-CZ 3.79Å; Y86-F207 HydrophobicContact CG-CZ 3.79Å; Y86-S209 WeakPolarHBondContact CE2-OG 3.19Å; Y86-F227 HydrophobicContact CD1-CB 4.45Å; Y86-F227 HydrophobicContact CE1-CB 3.61Å
87	E	79.6	Confident	83.7	Confident	92 Å²	92	41.2 Å²	41.2	43%	0.43	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-86.4	145.9	178.3	-63.3	-178.3	138.7	0	0	111.1	K81 T90	K81-E87 HydrophobicContact CD-CG 4.3Å; K81-E87 VanDerWaalsContact CE-CD 3.44Å; K81-E87 WeakPolarHBondContact CE-OE1 3.46Å; K81-E87 IonicContact NZ-OE1 3.54Å; K81-E87 PolarHBondContact NZ-OE1 3.21Å; K81-E87 IonicContact NZ-OE2 2.76Å; E87-T90 VanDerWaalsContact O-CB 3.28Å; E87-T90 WeakPolarHBondContact O-CB 3.38Å; E87-T90 PolarHBondContact O-N 3.39Å; E87-T90 PolarHBondContact O-OG1 2.95Å
88	S	75.4	Confident	83.2	Confident	38 Å²	38	41.2 Å²	41.2	27%	0.266	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	140.2	172.1	-74.7	0	0	0	0	110.5	E210 K213	S88-E210 CarbonylContact C-O 3.55Å; S88-E210 WeakPolarHBondContact CA-O 3.37Å; S88-E210 VanDerWaalsContact CB-O 3.26Å; S88-E210 WeakPolarHBondContact CB-O 3.28Å; S88-K213 WeakPolarHBondContact OG-CE 3.41Å; S88-K213 PolarHBondContact OG-NZ 3.39Å
89	G	74.5	Confident	82.7	Confident	36 Å²	36	42.4 Å²	42.4	37%	0.371	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	8.9	-171.8	0	0	0	0	0	115.3	S209 E210	G89-S209 CarbonylContact C-O 3.57Å; G89-S209 WeakPolarHBondContact CA-O 3.31Å; G89-S209 PolarHBondContact N-O 2.93Å; G89-E210 PolarHBondContact N-O 3.46Å
90	T	78.8	Confident	81.9	Confident	19 Å²	19	48.3 Å²	48.3	12%	0.117	26%	0.255	C	S	.	.			trans	-68.8	132.9	174.6	-65.3	0	0	0	0	110.9	P80 E87 F207 Y208 S209	P80-T90 HydrophobicContact CB-CG2 4.49Å; P80-T90 HydrophobicContact CG-CG2 3.79Å; E87-T90 VanDerWaalsContact O-CB 3.28Å; E87-T90 WeakPolarHBondContact O-CB 3.38Å; E87-T90 PolarHBondContact O-N 3.39Å; E87-T90 PolarHBondContact O-OG1 2.95Å; T90-F207 HydrophobicContact CG2-CD1 4.01Å; T90-F207 HydrophobicContact CG2-CE1 3.64Å; T90-Y208 CarbonylContact O-C 3.54Å; T90-S209 PolarHBondContact O-N 3.27Å
91	R	82.9	Confident	81.1	Confident	135 Å²	135	49.4 Å²	49.4	51%	0.509	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.8	159.7	-168	-178.3	-178.5	179.3	2.2	110.6	D206 F207 Y208	R91-D206 IonicContact CZ-OD1 3.81Å; R91-D206 IonicContact CZ-OD2 3.41Å; R91-D206 IonicContact NE-OD1 3.91Å; R91-D206 PolarHBondContact NE-OD1 3.34Å; R91-D206 IonicContact NE-OD2 3.89Å; R91-D206 PolarHBondContact NE-OD2 3.13Å; R91-D206 IonicContact NH2-OD1 2.7Å; R91-D206 IonicContact NH2-OD2 2.78Å; R91-D206 PolarHBondContact NH2-OD2 3.03Å; R91-F207 CarbonylContact C-O 3.57Å; R91-F207 WeakPolarHBondContact CA-O 3.5Å; R91-F207 WeakPolarHBondContact CG-O 3.28Å; R91-Y208 HydrophobicContact CB-CD2 4.44Å; R91-Y208 HydrophobicContact CG-CD2 4.37Å
92	C	85.5	Confident	80.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	126.4	178.3	177.3	0	0	0	0	111.8	C32 F94 F207	C32-C92 HydrophobicContact CB-CB 3.61Å; C32-C92 WeakPolarHBondContact CB-SG 3.37Å; C32-C92 WeakPolarHBondContact SG-CB 3.33Å; C32-C92 CovalentContact SG-SG 2.02Å; C32-C92 PolarHBondContact SG-SG 3.33Å; C92-F94 HydrophobicContact CB-CE2 4.21Å; C92-F94 WeakPolarHBondContact SG-CE2 3.33Å; C92-F94 VanDerWaalsContact SG-CZ 3.58Å; C92-F207 HydrophobicContact CB-CB 4.48Å; C92-F207 HydrophobicContact CB-CD1 4.41Å; C92-F207 PolarHBondContact N-O 2.8Å; C92-F207 PolarHBondContact O-N 2.8Å
93	V	85.1	Confident	80.5	Confident	23 Å²	23	44.3 Å²	44.3	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.1	174.3	-174.6	0	0	0	0	110	G37 E38 I39 V204 L205 D206	G37-V93 PolarHBondContact O-N 3.25Å; E38-V93 CarbonylContact C-O 3.57Å; E38-V93 WeakPolarHBondContact CA-O 3.31Å; E38-V93 HydrophobicContact CG-CB 4.45Å; I39-V93 PolarHBondContact N-O 3.3Å; V93-V204 HydrophobicContact CG1-CG1 3.55Å; V93-L205 CarbonylContact C-O 3.52Å; V93-L205 WeakPolarHBondContact CA-O 3.39Å; V93-D206 HydrophobicContact CG2-CB 4.38Å
94	F	87.6	Confident	80.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.3	170.3	-59.6	-101.7	0	0	0	109.3	I39 F77 T78 C92 F96 V204 L205 F229	I39-F94 HydrophobicContact CB-CD1 4.35Å; I39-F94 HydrophobicContact CD1-CD1 3.97Å; I39-F94 HydrophobicContact CD1-CE1 3.69Å; I39-F94 HydrophobicContact CD1-CZ 4.34Å; F77-F94 HydrophobicContact CB-CD1 4.14Å; F77-F94 HydrophobicContact CB-CE1 4.03Å; F77-F94 HydrophobicContact CD2-CD1 4.01Å; F77-F94 HydrophobicContact CD2-CE1 4Å; F77-F94 HydrophobicContact CD2-CG 4.42Å; F77-F94 HydrophobicContact CD2-CZ 4.42Å; F77-F94 HydrophobicContact CG-CD1 4.47Å; T78-F94 WeakPolarHBondContact O-CZ 3.25Å; C92-F94 HydrophobicContact CB-CE2 4.21Å; C92-F94 WeakPolarHBondContact SG-CE2 3.33Å; C92-F94 VanDerWaalsContact SG-CZ 3.58Å; F94-F96 HydrophobicContact CB-CE2 3.67Å; F94-F96 HydrophobicContact CB-CZ 4.18Å; F94-V204 CarbonylContact O-C 3.45Å; F94-V204 WeakPolarHBondContact O-CA 3.29Å; F94-L205 HydrophobicContact CB-CB 4.25Å; F94-L205 HydrophobicContact CB-CD1 4.35Å; F94-L205 HydrophobicContact CB-CG 4.44Å; F94-L205 PolarHBondContact N-O 2.86Å; F94-L205 PolarHBondContact O-N 2.85Å; F94-F229 AromaticContact CE2-CE2 3.98Å; F94-F229 HydrophobicContact CE2-CE2 3.98Å; F94-F229 AromaticContact CE2-CZ 3.82Å; F94-F229 HydrophobicContact CE2-CZ 3.82Å; F94-F229 HydrophobicContact CZ-CE2 4.05Å; F94-F229 HydrophobicContact CZ-CZ 4.23Å
95	R	86.4	Confident	80.1	Confident	22 Å²	22	35.2 Å²	35.2	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	111.7	-175.6	-179.5	167.6	-175.1	-155.7	0.6	111.3	I39 L40 L41 I97 Y171 E202 V204	I39-R95 PolarHBondContact O-N 3.01Å; L40-R95 HydrophobicContact CD1-CB 4.18Å; L40-R95 HydrophobicContact CD1-CG 3.85Å; L41-R95 PolarHBondContact N-O 3.36Å; R95-I97 HydrophobicContact CG-CD1 4.37Å; R95-I97 HydrophobicContact CG-CG1 4.27Å; R95-Y171 PolarHBondContact NH1-OH 3.49Å; R95-E202 IonicContact CZ-OE1 3.84Å; R95-E202 VanDerWaalsContact CZ-OE1 3.23Å; R95-E202 IonicContact CZ-OE2 3.83Å; R95-E202 VanDerWaalsContact NE-CD 3.33Å; R95-E202 IonicContact NE-OE1 3.96Å; R95-E202 PolarHBondContact NE-OE1 2.85Å; R95-E202 IonicContact NE-OE2 3.96Å; R95-E202 PolarHBondContact NE-OE2 3.32Å; R95-E202 VanDerWaalsContact NH2-CD 3.34Å; R95-E202 IonicContact NH2-OE1 2.87Å; R95-E202 PolarHBondContact NH2-OE1 2.89Å; R95-E202 IonicContact NH2-OE2 3.59Å; R95-E202 PolarHBondContact NH2-OE2 3.31Å; R95-V204 HydrophobicContact CB-CG2 4.16Å; R95-V204 HydrophobicContact CG-CG2 3.85Å
96	F	87	Confident	80.2	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.2	-176.1	-56	-101.3	0	0	0	110	L41 F77 F94 V104 I106 E202 I203 L205 F233	L41-F96 HydrophobicContact CB-CD1 4.11Å; L41-F96 HydrophobicContact CD1-CD1 3.65Å; L41-F96 HydrophobicContact CD1-CE1 3.32Å; L41-F96 HydrophobicContact CD1-CG 4.48Å; L41-F96 HydrophobicContact CD1-CZ 3.91Å; L41-F96 CarbonylContact O-C 3.58Å; L41-F96 WeakPolarHBondContact O-CA 3.36Å; F77-F96 HydrophobicContact CD1-CE1 4.39Å; F77-F96 HydrophobicContact CD1-CZ 4.05Å; F77-F96 HydrophobicContact CD2-CZ 4.28Å; F77-F96 HydrophobicContact CE1-CZ 4.35Å; F77-F96 HydrophobicContact CG-CZ 4.02Å; F94-F96 HydrophobicContact CB-CE2 3.67Å; F94-F96 HydrophobicContact CB-CZ 4.18Å; F96-V104 HydrophobicContact CB-CB 4.38Å; F96-V104 HydrophobicContact CB-CG1 3.55Å; F96-V104 HydrophobicContact CB-CG2 3.97Å; F96-V104 HydrophobicContact CD1-CG1 4.24Å; F96-V104 HydrophobicContact CG-CG1 4.03Å; F96-I106 HydrophobicContact CD1-CD1 4.3Å; F96-I106 HydrophobicContact CD2-CD1 3.58Å; F96-I106 HydrophobicContact CE1-CD1 4.31Å; F96-I106 HydrophobicContact CE2-CD1 3.62Å; F96-I106 HydrophobicContact CG-CD1 3.95Å; F96-I106 HydrophobicContact CZ-CD1 3.99Å; F96-E202 CarbonylContact O-C 3.43Å; F96-E202 VanDerWaalsContact O-CA 3.24Å; F96-E202 WeakPolarHBondContact O-CA 3.23Å; F96-I203 PolarHBondContact N-O 3.43Å; F96-I203 PolarHBondContact O-N 3.47Å; F96-L205 HydrophobicContact CE2-CD1 3.69Å; F96-L205 HydrophobicContact CE2-CG 3.98Å; F96-L205 HydrophobicContact CZ-CD1 4.25Å; F96-F233 HydrophobicContact CD1-CB 4.01Å; F96-F233 HydrophobicContact CD1-CD1 4.38Å; F96-F233 HydrophobicContact CD1-CD2 4.15Å; F96-F233 AromaticContact CD1-CG 3.93Å; F96-F233 HydrophobicContact CD1-CG 3.93Å; F96-F233 HydrophobicContact CE1-CB 3.66Å; F96-F233 AromaticContact CE1-CD1 3.68Å; F96-F233 HydrophobicContact CE1-CD1 3.68Å; F96-F233 HydrophobicContact CE1-CD2 4.24Å; F96-F233 HydrophobicContact CE1-CE1 4.35Å; F96-F233 AromaticContact CE1-CG 3.6Å; F96-F233 HydrophobicContact CE1-CG 3.6Å
97	I	84.5	Confident	80.2	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.5	-177.3	-53.5	178.8	0	0	0	110.1	L40 L41 R42 S43 R95 R201 E202 F235	L40-I97 HydrophobicContact CD1-CD1 3.74Å; L40-I97 HydrophobicContact CD1-CG1 4.42Å; L41-I97 PolarHBondContact O-N 2.88Å; R42-I97 CarbonylContact C-O 3.56Å; R42-I97 WeakPolarHBondContact CA-O 2.86Å; R42-I97 HydrophobicContact CG-CB 4.23Å; R42-I97 HydrophobicContact CG-CD1 4.45Å; S43-I97 PolarHBondContact N-O 3.31Å; R95-I97 HydrophobicContact CG-CD1 4.37Å; R95-I97 HydrophobicContact CG-CG1 4.27Å; I97-R201 CarbonylContact C-O 3.52Å; I97-R201 WeakPolarHBondContact CA-O 3.15Å; I97-E202 HydrophobicContact CG1-CG 4.08Å; I97-F235 VanDerWaalsContact C-CE1 3.48Å; I97-F235 WeakPolarHBondContact O-CE1 3.47Å
98	A	78.6	Confident	80.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.			trans	-79.6	160.6	178.5	0	0	0	0	0	112.7	E102 V104 R201 F235	A98-E102 HydrophobicContact CB-CB 3.83Å; A98-E102 WeakPolarHBondContact CB-O 3.45Å; A98-V104 HydrophobicContact CB-CG2 4.21Å; A98-R201 HydrophobicContact CB-CB 4.33Å; A98-R201 PolarHBondContact N-O 2.83Å; A98-R201 PolarHBondContact O-NE 3.48Å; A98-R201 PolarHBondContact O-NH2 3.35Å; A98-F235 HydrophobicContact CB-CD1 3.7Å; A98-F235 HydrophobicContact CB-CE1 4.1Å
99	D	79.1	Confident	81	Confident	40 Å²	40	34.4 Å²	34.4	21%	0.214	19%	0.185	C	C	.	.			trans	-74.7	-175.3	170.6	-67.3	-22.5	0	0	0	110.3	S43 S44 K73 E102 R201	S43-D99 PolarHBondContact OG-OD2 3.24Å; S44-D99 WeakPolarHBondContact CB-OD1 3.2Å; S44-D99 PolarHBondContact N-OD1 3.21Å; S44-D99 PolarHBondContact N-OD2 3.49Å; K73-D99 IonicContact NZ-OD2 3.12Å; K73-D99 PolarHBondContact NZ-OD2 3.41Å; D99-E102 WeakPolarHBondContact CB-OE2 3.35Å; D99-E102 PolarHBondContact N-OE2 3.17Å; D99-R201 VanDerWaalsContact C-NE 3.35Å; D99-R201 PolarHBondContact O-NE 2.83Å
100	V	72.3	Confident	81.6	Confident	125 Å²	125	35.5 Å²	35.5	76%	0.758	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	130.1	175.3	179.5	0	0	0	0	108.7
101	G	68.3	Low	82	Confident	31 Å²	31	34.6 Å²	34.6	32%	0.32	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	12.7	-170.4	0	0	0	0	0	113.7	N237 D238	G101-N237 WeakPolarHBondContact O-CA 3.46Å; G101-N237 PolarHBondContact O-OD1 3.34Å; G101-D238 WeakPolarHBondContact CA-OD2 3.3Å; G101-D238 PolarHBondContact O-N 3.21Å
102	E	75.4	Confident	82.2	Confident	34 Å²	34	29.7 Å²	29.7	16%	0.159	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.9	-178.6	-67.9	178.9	173.3	0	0	112.7	S43 K73 A98 D99 I236 D238	S43-E102 WeakPolarHBondContact CB-OE2 3.35Å; S43-E102 PolarHBondContact OG-OE2 3.44Å; K73-E102 WeakPolarHBondContact CE-OE1 3.42Å; K73-E102 VanDerWaalsContact NZ-CD 3.3Å; K73-E102 IonicContact NZ-OE1 2.6Å; K73-E102 PolarHBondContact NZ-OE1 3.07Å; K73-E102 IonicContact NZ-OE2 2.68Å; K73-E102 PolarHBondContact NZ-OE2 3.32Å; K73-E102 VanDerWaalsContact NZ-OE2 3.12Å; A98-E102 HydrophobicContact CB-CB 3.83Å; A98-E102 WeakPolarHBondContact CB-O 3.45Å; D99-E102 WeakPolarHBondContact CB-OE2 3.35Å; D99-E102 PolarHBondContact N-OE2 3.17Å; E102-I236 CarbonylContact C-O 3.51Å; E102-I236 WeakPolarHBondContact CA-O 3.48Å; E102-D238 PolarHBondContact N-OD2 3.32Å
103	K	73.9	Confident	82.3	Confident	23 Å²	23	29.8 Å²	29.8	10%	0.1	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	152.3	175.4	-80.6	174.2	178	-51.7	0	111.6	I197 S198 L199 H200 F235 I236 D238 Y242	K103-I197 HydrophobicContact CD-CG2 4.46Å; K103-S198 WeakPolarHBondContact CA-OG 3.46Å; K103-S198 PolarHBondContact NZ-O 3.11Å; K103-L199 PolarHBondContact NZ-O 3.22Å; K103-H200 PolarHBondContact NZ-O 2.83Å; K103-F235 CarbonylContact O-C 3.55Å; K103-F235 VanDerWaalsContact O-CA 3.3Å; K103-F235 WeakPolarHBondContact O-CA 3.36Å; K103-I236 PolarHBondContact N-O 2.94Å; K103-I236 PolarHBondContact O-N 3.49Å; K103-D238 VanDerWaalsContact CD-OD1 3.25Å; K103-D238 WeakPolarHBondContact CD-OD1 3.44Å; K103-D238 WeakPolarHBondContact CE-OD1 3.32Å; K103-D238 VanDerWaalsContact CG-OD1 3.26Å; K103-D238 WeakPolarHBondContact CG-OD1 3.39Å; K103-D238 IonicContact NZ-OD1 2.76Å; K103-Y242 HydrophobicContact CD-CE2 4.17Å
104	V	79.4	Confident	82.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.2	170.2	-163.5	0	0	0	0	108.6	F96 A98 I106 I197 S198 I203 F235	F96-V104 HydrophobicContact CB-CB 4.38Å; F96-V104 HydrophobicContact CB-CG1 3.55Å; F96-V104 HydrophobicContact CB-CG2 3.97Å; F96-V104 HydrophobicContact CD1-CG1 4.24Å; F96-V104 HydrophobicContact CG-CG1 4.03Å; A98-V104 HydrophobicContact CB-CG2 4.21Å; V104-I106 HydrophobicContact CG1-CD1 4.06Å; V104-I106 HydrophobicContact CG1-CG1 3.77Å; V104-I197 WeakPolarHBondContact O-CA 3.41Å; V104-S198 PolarHBondContact N-OG 2.84Å; V104-S198 PolarHBondContact O-N 3.31Å; V104-I203 HydrophobicContact CB-CD1 3.8Å; V104-I203 HydrophobicContact CB-CG1 4.01Å; V104-I203 HydrophobicContact CG1-CD1 4.08Å; V104-I203 HydrophobicContact CG1-CG1 4.45Å; V104-I203 HydrophobicContact CG2-CG1 4.34Å; V104-F235 HydrophobicContact CG1-CE1 4.41Å; V104-F235 HydrophobicContact CG2-CD1 4.24Å; V104-F235 HydrophobicContact CG2-CE1 3.92Å
105	H	80.1	Confident	81.4	Confident	37 Å²	37	31.9 Å²	31.9	17%	0.171	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.3	164.3	173.2	-138.9	0	0	0	109.1	F196 I197 F233 E234 I236	H105-F196 CarbonylContact C-O 3.5Å; H105-F196 WeakPolarHBondContact CA-O 3.46Å; H105-I197 HydrophobicContact CB-CG1 4.47Å; H105-F233 VanDerWaalsContact O-CA 3.3Å; H105-F233 WeakPolarHBondContact O-CA 3.4Å; H105-E234 HydrophobicContact CB-CG 3.9Å; H105-E234 IonicContact CE1-OE1 2.67Å; H105-E234 IonicContact CG-OE1 3.56Å; H105-E234 PolarHBondContact N-O 2.84Å; H105-E234 IonicContact ND1-OE1 3.96Å; H105-E234 PolarHBondContact ND1-OE1 3.04Å; H105-E234 PolarHBondContact O-N 2.74Å; H105-I236 HydrophobicContact CB-CD1 3.48Å; H105-I236 VanDerWaalsContact CB-CD1 3.48Å; H105-I236 HydrophobicContact CB-CG1 3.99Å
106	I	85.7	Confident	80.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.7	-176.2	-56.1	-177.8	0	0	0	109.6	F77 F96 V104 F108 T195 F196 I203 L205 F233	F77-I106 HydrophobicContact CE1-CG2 3.66Å; F77-I106 HydrophobicContact CZ-CG2 3.63Å; F96-I106 HydrophobicContact CD1-CD1 4.3Å; F96-I106 HydrophobicContact CD2-CD1 3.58Å; F96-I106 HydrophobicContact CE1-CD1 4.31Å; F96-I106 HydrophobicContact CE2-CD1 3.62Å; F96-I106 HydrophobicContact CG-CD1 3.95Å; F96-I106 HydrophobicContact CZ-CD1 3.99Å; V104-I106 HydrophobicContact CG1-CD1 4.06Å; V104-I106 HydrophobicContact CG1-CG1 3.77Å; I106-F108 HydrophobicContact CG2-CE2 4.15Å; I106-T195 CarbonylContact O-C 3.57Å; I106-T195 WeakPolarHBondContact O-CA 3.46Å; I106-F196 HydrophobicContact CB-CB 4.4Å; I106-F196 PolarHBondContact N-O 2.9Å; I106-F196 PolarHBondContact O-N 3.2Å; I106-I203 HydrophobicContact CD1-CB 4.13Å; I106-I203 HydrophobicContact CD1-CD1 3.92Å; I106-I203 HydrophobicContact CD1-CG2 3.89Å; I106-I203 HydrophobicContact CG1-CD1 4.19Å; I106-L205 HydrophobicContact CD1-CD1 4.4Å; I106-L205 HydrophobicContact CD1-CD2 4.44Å; I106-F233 HydrophobicContact CG1-CB 4.41Å
107	K	83.7	Confident	79.1	Confident	87 Å²	87	41 Å²	41	38%	0.378	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.9	176.8	173	168.9	170.7	-86.5	0	110.8	D109 T195 G231 T232	K107-D109 IonicContact NZ-OD1 2.64Å; K107-D109 PolarHBondContact NZ-OD1 2.65Å; K107-T195 HydrophobicContact CB-CG2 4.01Å; K107-T195 HydrophobicContact CD-CG2 4.34Å; K107-T195 HydrophobicContact CG-CG2 4.16Å; K107-G231 CarbonylContact O-C 3.56Å; K107-G231 WeakPolarHBondContact O-CA 3.38Å; K107-T232 PolarHBondContact N-O 2.87Å; K107-T232 PolarHBondContact O-N 2.84Å
108	F	86.8	Confident	77.9	Confident	11 Å²	11	42.9 Å²	42.9	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.9	172.2	-70.9	-94.4	0	0	0	110.6	F77 I106 F111 L125 L189 F196 L205 F229	F77-F108 AromaticContact CE2-CE1 3.86Å; F77-F108 HydrophobicContact CE2-CE1 3.86Å; F77-F108 AromaticContact CE2-CZ 3.96Å; F77-F108 HydrophobicContact CE2-CZ 3.96Å; F77-F108 HydrophobicContact CZ-CD1 4.39Å; F77-F108 AromaticContact CZ-CE1 3.77Å; F77-F108 HydrophobicContact CZ-CE1 3.77Å; F77-F108 HydrophobicContact CZ-CE2 4.28Å; F77-F108 AromaticContact CZ-CZ 3.7Å; F77-F108 HydrophobicContact CZ-CZ 3.7Å; I106-F108 HydrophobicContact CG2-CE2 4.15Å; F108-F111 HydrophobicContact CB-CB 4.44Å; F108-F111 HydrophobicContact CD1-CB 4.29Å; F108-F111 AromaticContact CD1-CD2 3.97Å; F108-F111 HydrophobicContact CD1-CD2 3.97Å; F108-F111 HydrophobicContact CE1-CD2 4.08Å; F108-L125 HydrophobicContact CE1-CD2 3.95Å; F108-L125 HydrophobicContact CE2-CD2 4.48Å; F108-L125 HydrophobicContact CZ-CD2 3.56Å; F108-L189 HydrophobicContact CB-CB 4.5Å; F108-L189 HydrophobicContact CD2-CD1 3.96Å; F108-L189 HydrophobicContact CE2-CD1 3.93Å; F108-L189 HydrophobicContact CG-CB 4.47Å; F108-L189 HydrophobicContact CG-CD1 4.3Å; F108-L189 HydrophobicContact CZ-CD1 4.21Å; F108-F196 HydrophobicContact CD2-CD2 4.46Å; F108-F196 HydrophobicContact CD2-CE2 4.11Å; F108-F196 HydrophobicContact CE2-CD2 4.02Å; F108-F196 AromaticContact CE2-CE2 3.73Å; F108-F196 HydrophobicContact CE2-CE2 3.73Å; F108-L205 HydrophobicContact CZ-CD1 4.22Å; F108-F229 HydrophobicContact CD1-CB 4.32Å; F108-F229 HydrophobicContact CE1-CB 4.43Å; F108-F229 HydrophobicContact CE1-CD2 4.1Å; F108-F229 HydrophobicContact CE1-CG 4.36Å
109	D	85	Confident	76.9	Confident	76 Å²	76	46.6 Å²	46.6	41%	0.406	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-26.2	175.4	-65.6	-58.6	0	0	0	111.6	K107 N230 T232	K107-D109 IonicContact NZ-OD1 2.64Å; K107-D109 PolarHBondContact NZ-OD1 2.65Å; D109-N230 PolarHBondContact N-O 2.58Å; D109-T232 PolarHBondContact OD2-OG1 3.14Å
110	H	86.8	Confident	76.5	Confident	60 Å²	60	44.8 Å²	44.8	28%	0.278	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	140	164.1	-171.8	-85	0	0	0	109.4	W82 V112 G228 F229 N230	W82-H110 HydrophobicContact CH2-CB 3.81Å; W82-H110 AromaticContact CH2-CD2 3.74Å; W82-H110 AromaticContact CH2-CE1 3.52Å; W82-H110 AromaticContact CH2-CG 3.33Å; W82-H110 AromaticContact CH2-ND1 3.2Å; W82-H110 WeakPolarHBondContact CH2-ND1 3.49Å; W82-H110 AromaticContact CH2-NE2 3.85Å; W82-H110 HydrophobicContact CZ2-CB 3.93Å; W82-H110 AromaticContact CZ2-CG 3.96Å; W82-H110 AromaticContact CZ3-CE1 3.7Å; W82-H110 AromaticContact CZ3-ND1 3.42Å; W82-H110 WeakPolarHBondContact CZ3-ND1 3.33Å; H110-V112 VanDerWaalsContact CE1-CG2 3.47Å; H110-V112 WeakPolarHBondContact CE1-CG2 3Å; H110-G228 PolarHBondContact ND1-O 2.97Å; H110-F229 CarbonylContact O-C 3.57Å; H110-F229 WeakPolarHBondContact O-CA 3.45Å; H110-F229 VanDerWaalsContact O-CB 3.29Å; H110-F229 WeakPolarHBondContact O-CB 3.28Å; H110-N230 HydrophobicContact CB-CB 4.49Å; H110-N230 PolarHBondContact N-O 2.89Å; H110-N230 PolarHBondContact O-N 2.62Å
111	F	88.6	Confident	76.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	113.6	172.4	-178.5	-90.7	0	0	0	109.1	F108 L113 L125 G186 D187 L189 S190 F229	F108-F111 HydrophobicContact CB-CB 4.44Å; F108-F111 HydrophobicContact CD1-CB 4.29Å; F108-F111 AromaticContact CD1-CD2 3.97Å; F108-F111 HydrophobicContact CD1-CD2 3.97Å; F108-F111 HydrophobicContact CE1-CD2 4.08Å; F111-L113 HydrophobicContact CE1-CD1 4.48Å; F111-L113 HydrophobicContact CE1-CG 4.3Å; F111-L113 HydrophobicContact CE2-CD1 3.8Å; F111-L113 HydrophobicContact CE2-CG 3.98Å; F111-L113 HydrophobicContact CZ-CB 4.49Å; F111-L113 HydrophobicContact CZ-CD1 3.57Å; F111-L113 HydrophobicContact CZ-CG 3.78Å; F111-L125 HydrophobicContact CE2-CB 3.94Å; F111-L125 HydrophobicContact CE2-CD2 3.87Å; F111-L125 HydrophobicContact CZ-CB 4.16Å; F111-G186 WeakPolarHBondContact CD1-O 3.43Å; F111-G186 WeakPolarHBondContact CE1-O 3.12Å; F111-D187 WeakPolarHBondContact O-CA 3.42Å; F111-L189 HydrophobicContact CB-CB 4.17Å; F111-L189 HydrophobicContact CD1-CB 3.97Å; F111-L189 HydrophobicContact CD1-CD1 4.31Å; F111-L189 HydrophobicContact CD1-CG 4.16Å; F111-L189 HydrophobicContact CD2-CD1 3.85Å; F111-L189 HydrophobicContact CE1-CB 4.49Å; F111-L189 HydrophobicContact CE1-CD1 4.23Å; F111-L189 HydrophobicContact CE1-CG 4.19Å; F111-L189 HydrophobicContact CE2-CD1 3.77Å; F111-L189 HydrophobicContact CG-CB 3.97Å; F111-L189 HydrophobicContact CG-CD1 4.12Å; F111-L189 HydrophobicContact CG-CG 4.33Å; F111-L189 HydrophobicContact CZ-CD1 3.96Å; F111-L189 HydrophobicContact CZ-CG 4.39Å; F111-S190 PolarHBondContact O-OG 3.02Å; F111-F229 HydrophobicContact CB-CB 4.36Å; F111-F229 HydrophobicContact CD2-CB 3.78Å; F111-F229 HydrophobicContact CD2-CD1 4.33Å; F111-F229 HydrophobicContact CD2-CG 4.28Å; F111-F229 HydrophobicContact CE2-CD1 4.38Å; F111-F229 HydrophobicContact CG-CB 4.46Å
112	V	86.9	Confident	76.7	Confident	31 Å²	31	43.7 Å²	43.7	19%	0.188	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	108.7	172.2	178.5	0	0	0	0	108.7	H110 G186 D187 F227 G228	H110-V112 VanDerWaalsContact CE1-CG2 3.47Å; H110-V112 WeakPolarHBondContact CE1-CG2 3Å; V112-G186 CarbonylContact C-O 3.55Å; V112-G186 VanDerWaalsContact CA-O 3.28Å; V112-G186 WeakPolarHBondContact CA-O 3.38Å; V112-D187 HydrophobicContact CG2-CB 4.5Å; V112-F227 HydrophobicContact CG1-CD1 3.96Å; V112-F227 HydrophobicContact CG1-CE1 4.33Å; V112-F227 CarbonylContact O-C 3.58Å; V112-F227 VanDerWaalsContact O-CA 3.27Å; V112-F227 WeakPolarHBondContact O-CA 3.48Å; V112-G228 PolarHBondContact N-O 2.6Å; V112-G228 PolarHBondContact O-N 3.2Å
113	L	86.7	Confident	77.2	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-115.6	157.7	175	-63.6	-173.7	0	0	0	111.7	Y86 F111 G115 D123 L125 G186 F207 F229	Y86-L113 HydrophobicContact CD1-CD2 4.45Å; Y86-L113 HydrophobicContact CE1-CD2 3.52Å; F111-L113 HydrophobicContact CE1-CD1 4.48Å; F111-L113 HydrophobicContact CE1-CG 4.3Å; F111-L113 HydrophobicContact CE2-CD1 3.8Å; F111-L113 HydrophobicContact CE2-CG 3.98Å; F111-L113 HydrophobicContact CZ-CB 4.49Å; F111-L113 HydrophobicContact CZ-CD1 3.57Å; F111-L113 HydrophobicContact CZ-CG 3.78Å; L113-G115 PolarHBondContact O-N 3.13Å; L113-D123 HydrophobicContact CB-CB 4.31Å; L113-L125 HydrophobicContact CD1-CB 4.13Å; L113-G186 PolarHBondContact N-O 3.26Å; L113-G186 WeakPolarHBondContact O-CA 3.48Å; L113-G186 PolarHBondContact O-N 2.87Å; L113-G186 VanDerWaalsContact O-N 3.16Å; L113-F207 HydrophobicContact CD1-CD2 4.04Å; L113-F207 HydrophobicContact CD1-CE2 3.87Å; L113-F207 HydrophobicContact CD2-CD2 4.35Å; L113-F207 HydrophobicContact CD2-CE2 3.57Å; L113-F207 HydrophobicContact CD2-CZ 4.15Å; L113-F207 HydrophobicContact CG-CE2 4.39Å; L113-F229 HydrophobicContact CD2-CD1 4.09Å
114	S	81.7	Confident	77.8	Confident	44 Å²	44	42.3 Å²	42.3	31%	0.308	24%	0.243	S	C	.	.	S	Bend	trans	-76.7	111.1	178.6	-154.1	0	0	0	0	112	Y86 D123	Y86-S114 PolarHBondContact OH-N 2.91Å; S114-D123 WeakPolarHBondContact CB-OD2 3.42Å; S114-D123 WeakPolarHBondContact O-CB 3.34Å; S114-D123 PolarHBondContact O-N 3.29Å
115	G	73	Confident	78.2	Confident	22 Å²	22	42.3 Å²	42.3	23%	0.227	24%	0.243	C	C	.	.	S	Bend	trans	147.8	153.8	175.3	0	0	0	0	0	112.1	L113 C185 G186	L113-G115 PolarHBondContact O-N 3.13Å; G115-C185 VanDerWaalsContact C-SG 3.59Å; G115-C185 PolarHBondContact O-SG 3.08Å; G115-C185 VanDerWaalsContact O-SG 3.41Å; G115-G186 WeakPolarHBondContact O-CA 3.47Å; G115-G186 PolarHBondContact O-N 3.2Å; G115-G186 VanDerWaalsContact O-N 3.12Å
116	D	64.7	Low	78.4	Confident	126 Å²	126	40.8 Å²	40.8	67%	0.674	24%	0.236	S	C	*	.			trans	-95	135.9	177.4	-65.4	-53.3	0	0	0	111.3	S119 C120 C185	D116-S119 PolarHBondContact O-N 2.03Å; D116-S119 VanDerWaalsContact O-N 3.14Å; D116-S119 PolarHBondContact O-OG 3.37Å; D116-C120 PolarHBondContact O-N 3.31Å; D116-C185 PolarHBondContact O-SG 2.67Å
117	M	60.2	Low	78.2	Confident	87 Å²	87	40.8 Å²	40.8	43%	0.429	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	132.6	173.1	-161.7	-76.5	-84.5	0	0	108.6	Y188	M117-Y188 HydrophobicContact CE-CD2 3.71Å; M117-Y188 HydrophobicContact CE-CE2 3.39Å; M117-Y188 HydrophobicContact CG-CD2 4.4Å
118	P	58.2	Low	77.8	Confident	63 Å²	63	37.6 Å²	37.6	41%	0.409	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	cis	-100.8	1.5	16.7	37.7	-35.8	0	0	0	116.5	M416 A418	P118-M416 HydrophobicContact CG-CB 4.27Å; P118-M416 VanDerWaalsContact CG-O 3.26Å; P118-M416 WeakPolarHBondContact CG-O 3.5Å; P118-A418 HydrophobicContact CB-CB 3.71Å; P118-A418 HydrophobicContact CG-CB 3.84Å
119	S	58.4	Low	77	Confident	79 Å²	79	37.4 Å²	37.4	55%	0.552	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-38	-173.1	52.7	0	0	0	0	112.9	D116 S121	D116-S119 PolarHBondContact O-N 2.03Å; D116-S119 VanDerWaalsContact O-N 3.14Å; D116-S119 PolarHBondContact O-OG 3.37Å; S119-S121 PolarHBondContact O-N 2.86Å
120	C	70.2	Confident	76	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	22%	0.215	C	C	.	.			trans	40.5	47.5	174.9	-62.4	0	0	0	0	114	D116 F124 R183 C185	D116-C120 PolarHBondContact O-N 3.31Å; C120-F124 HydrophobicContact CB-CB 4.28Å; C120-F124 WeakPolarHBondContact O-CD1 3.35Å; C120-R183 HydrophobicContact CB-CG 3.84Å; C120-C185 WeakPolarHBondContact CA-SG 3.01Å; C120-C185 HydrophobicContact CB-CB 3.59Å; C120-C185 WeakPolarHBondContact CB-SG 3.4Å; C120-C185 WeakPolarHBondContact SG-CB 3.34Å; C120-C185 PolarHBondContact SG-N 3.39Å; C120-C185 CovalentContact SG-SG 2.04Å; C120-C185 PolarHBondContact SG-SG 2.78Å
121	S	71.6	Confident	74.8	Confident	83 Å²	83	34.1 Å²	34.1	58%	0.58	21%	0.206	S	C	*	.			trans	-93.2	-4.5	-166.1	59.5	0	0	0	0	115	S119	S119-S121 PolarHBondContact O-N 2.86Å
122	V	73.5	Confident	73.1	Confident	50 Å²	50	37 Å²	37	30%	0.303	23%	0.23	S	C	.	.	S	Bend	trans	-110.3	-80.2	-175.3	-177.1	0	0	0	0	109.3	E210	V122-E210 HydrophobicContact CG1-CB 4.13Å
123	D	85.2	Confident	71.2	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.032	23%	0.229	C	C	.	.	S	Bend	trans	-107.9	136.9	171.2	-54.1	-29.4	0	0	0	109.8	Y86 L113 S114 C185 Y208 S209 E210	Y86-D123 VanDerWaalsContact CE2-OD2 3.24Å; Y86-D123 WeakPolarHBondContact CE2-OD2 3.2Å; Y86-D123 VanDerWaalsContact CZ-OD2 3.3Å; Y86-D123 PolarHBondContact OH-OD2 2.02Å; L113-D123 HydrophobicContact CB-CB 4.31Å; S114-D123 WeakPolarHBondContact CB-OD2 3.42Å; S114-D123 WeakPolarHBondContact O-CB 3.34Å; S114-D123 PolarHBondContact O-N 3.29Å; D123-C185 WeakPolarHBondContact O-CB 3.41Å; D123-Y208 CarbonylContact C-O 3.49Å; D123-Y208 WeakPolarHBondContact CA-O 3.28Å; D123-S209 VanDerWaalsContact CG-OG 3.32Å; D123-S209 WeakPolarHBondContact OD1-CA 3.49Å; D123-S209 WeakPolarHBondContact OD1-CB 3.45Å; D123-S209 PolarHBondContact OD1-OG 3.46Å; D123-E210 PolarHBondContact OD1-N 3.25Å; D123-E210 VanDerWaalsContact OD1-N 3.13Å
124	F	86.8	Confident	69.2	Low	22 Å²	22	41.9 Å²	41.9	10%	0.096	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.8	-177.3	62.2	-97.3	0	0	0	114.1	C120 D126 R183 Y184 F207 Y208	C120-F124 HydrophobicContact CB-CB 4.28Å; C120-F124 WeakPolarHBondContact O-CD1 3.35Å; F124-D126 WeakPolarHBondContact CE2-OD2 3.34Å; F124-R183 HydrophobicContact CB-CG 3.61Å; F124-R183 HydrophobicContact CD2-CG 3.98Å; F124-R183 VanDerWaalsContact CE2-NH2 3.34Å; F124-R183 HydrophobicContact CG-CG 3.92Å; F124-R183 VanDerWaalsContact CZ-CZ 3.48Å; F124-Y184 CarbonylContact C-O 3.59Å; F124-Y184 WeakPolarHBondContact CA-O 3.3Å; F124-F207 WeakPolarHBondContact O-CD2 3.03Å; F124-Y208 HydrophobicContact CD1-CD1 4.01Å; F124-Y208 AromaticContact CE1-CD1 3.35Å; F124-Y208 HydrophobicContact CE1-CD1 3.35Å; F124-Y208 HydrophobicContact CE1-CE1 4.16Å; F124-Y208 AromaticContact CE1-CG 3.88Å; F124-Y208 HydrophobicContact CE1-CG 3.88Å; F124-Y208 HydrophobicContact CE2-CG 4.44Å; F124-Y208 AromaticContact CZ-CD1 3.75Å; F124-Y208 HydrophobicContact CZ-CD1 3.75Å; F124-Y208 AromaticContact CZ-CG 3.77Å; F124-Y208 HydrophobicContact CZ-CG 3.77Å; F124-Y208 PolarHBondContact N-O 2.82Å; F124-Y208 PolarHBondContact O-N 3.47Å
125	L	88.2	Confident	67.4	Low	0 Å²	0	46 Å²	46	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.5	167.8	-173	75.3	0	0	0	109.2	F108 F111 L113 V127 Y184 L189 L205 F207 F229	F108-L125 HydrophobicContact CE1-CD2 3.95Å; F108-L125 HydrophobicContact CE2-CD2 4.48Å; F108-L125 HydrophobicContact CZ-CD2 3.56Å; F111-L125 HydrophobicContact CE2-CB 3.94Å; F111-L125 HydrophobicContact CE2-CD2 3.87Å; F111-L125 HydrophobicContact CZ-CB 4.16Å; L113-L125 HydrophobicContact CD1-CB 4.13Å; L125-V127 HydrophobicContact CD2-CG2 4.39Å; L125-V127 HydrophobicContact CG-CG2 4.44Å; L125-Y184 PolarHBondContact N-O 3.11Å; L125-Y184 PolarHBondContact O-N 3.31Å; L125-L189 HydrophobicContact CD2-CD1 4.26Å; L125-L205 HydrophobicContact CD1-CB 4.03Å; L125-F207 HydrophobicContact CD1-CB 3.73Å; L125-F229 HydrophobicContact CD1-CE1 4.4Å; L125-F229 HydrophobicContact CD1-CZ 4.32Å
126	D	84.3	Confident	65.9	Low	6 Å²	6	49.9 Å²	49.9	3%	0.032	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.9	171.1	-80.7	-14.9	0	0	0	110.2	F124 Y128 L180 R183 L205 D206	F124-D126 WeakPolarHBondContact CE2-OD2 3.34Å; D126-Y128 HydrophobicContact CB-CE2 4Å; D126-L180 HydrophobicContact CB-CD1 3.56Å; D126-R183 WeakPolarHBondContact OD1-CA 3.38Å; D126-R183 WeakPolarHBondContact OD1-CB 3.46Å; D126-R183 WeakPolarHBondContact OD1-CG 3.49Å; D126-R183 IonicContact OD1-CZ 3.29Å; D126-R183 IonicContact OD1-NE 2.77Å; D126-R183 PolarHBondContact OD1-NE 3.03Å; D126-R183 IonicContact OD1-NH2 3.03Å; D126-R183 IonicContact OD2-CZ 2.68Å; D126-R183 IonicContact OD2-NE 2.71Å; D126-R183 PolarHBondContact OD2-NE 2.96Å; D126-R183 IonicContact OD2-NH2 3.16Å; D126-R183 PolarHBondContact OD2-NH2 2.9Å; D126-L205 CarbonylContact O-C 3.57Å; D126-L205 VanDerWaalsContact O-CA 3.31Å; D126-L205 WeakPolarHBondContact O-CA 3.49Å; D126-D206 HydrophobicContact CB-CB 4.37Å; D126-D206 PolarHBondContact N-O 2.87Å; D126-D206 PolarHBondContact O-N 3.27Å
127	V	81.2	Confident	64.9	Low	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.8	-175.8	-179.6	0	0	0	0	111.3	L125 I129 L181 G182 Y184 F196 L205	L125-V127 HydrophobicContact CD2-CG2 4.39Å; L125-V127 HydrophobicContact CG-CG2 4.44Å; V127-I129 HydrophobicContact CG1-CG2 4.33Å; V127-L181 HydrophobicContact CG1-CD2 4.26Å; V127-L181 WeakPolarHBondContact O-CB 3.27Å; V127-L181 PolarHBondContact O-N 3.04Å; V127-G182 PolarHBondContact N-O 2.85Å; V127-G182 VanDerWaalsContact N-O 3.09Å; V127-Y184 HydrophobicContact CB-CE2 4.1Å; V127-Y184 HydrophobicContact CG2-CD2 3.78Å; V127-Y184 HydrophobicContact CG2-CE2 3.71Å; V127-F196 HydrophobicContact CG1-CD1 3.94Å; V127-F196 HydrophobicContact CG1-CE1 3.99Å; V127-F196 HydrophobicContact CG1-CG 4.36Å; V127-F196 HydrophobicContact CG1-CZ 4.44Å; V127-F196 HydrophobicContact CG2-CZ 4.24Å; V127-L205 HydrophobicContact CB-CD2 4.33Å; V127-L205 HydrophobicContact CG1-CD2 3.88Å; V127-L205 HydrophobicContact CG2-CD2 3.9Å
128	Y	76.4	Confident	64.4	Low	20 Å²	20	51.4 Å²	51.4	8%	0.078	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.8	179.3	-56	-94.9	0	0	0	109.4	D126 L175 L180 I203 V204 D206	D126-Y128 HydrophobicContact CB-CE2 4Å; Y128-L175 HydrophobicContact CD2-CD2 4.19Å; Y128-L175 HydrophobicContact CE1-CB 4.49Å; Y128-L175 HydrophobicContact CE2-CD2 4.26Å; Y128-L175 HydrophobicContact CG-CD2 4.35Å; Y128-L180 HydrophobicContact CD1-CB 4.42Å; Y128-L180 HydrophobicContact CD1-CD1 4.48Å; Y128-L180 HydrophobicContact CE1-CB 4Å; Y128-L180 HydrophobicContact CE1-CD1 4.06Å; Y128-L180 HydrophobicContact CE2-CD1 4.18Å; Y128-I203 WeakPolarHBondContact O-CA 3.3Å; Y128-I203 WeakPolarHBondContact O-CG2 3.49Å; Y128-V204 HydrophobicContact CD2-CB 4.38Å; Y128-V204 HydrophobicContact CD2-CG1 4.29Å; Y128-V204 PolarHBondContact N-O 3.37Å; Y128-V204 PolarHBondContact O-N 3.33Å; Y128-D206 HydrophobicContact CE2-CB 4.45Å
129	I	69.7	Low	63.9	Low	6 Å²	6	54.4 Å²	54.4	3%	0.031	33%	0.326	C	S	.	.	S	Bend	trans	-98.9	-4.1	-179.3	59	169.5	0	0	0	114	V127 L181 L199 T310 P316	V127-I129 HydrophobicContact CG1-CG2 4.33Å; I129-L181 HydrophobicContact CD1-CD1 3.98Å; I129-L181 HydrophobicContact CD1-CD2 4.15Å; I129-L181 HydrophobicContact CD1-CG 4.49Å; I129-L181 HydrophobicContact CG1-CB 4.37Å; I129-L181 HydrophobicContact CG1-CD2 4.4Å; I129-L181 HydrophobicContact CG2-CD2 3.71Å; I129-L199 HydrophobicContact CD1-CD1 3.71Å; I129-L199 HydrophobicContact CD1-CG 4.04Å; I129-L199 HydrophobicContact CG1-CD1 4.02Å; I129-L199 HydrophobicContact CG1-CG 4.45Å; I129-T310 HydrophobicContact CD1-CG2 4.36Å; I129-P316 HydrophobicContact CD1-CB 4.47Å; I129-P316 HydrophobicContact CD1-CG 4.34Å
130	D	64	Low	63.4	Low	53 Å²	53	59.1 Å²	59.1	28%	0.283	33%	0.332	S	S	.	.	S	Bend	trans	-141.1	148.3	163	-160.7	13.6	0	0	0	108.9	H200	D130-H200 IonicContact OD1-CE1 3.59Å; D130-H200 IonicContact OD1-CG 2.83Å; D130-H200 IonicContact OD1-ND1 3.59Å; D130-H200 PolarHBondContact OD1-ND1 3.48Å; D130-H200 IonicContact OD2-CE1 2.77Å; D130-H200 PolarHBondContact OD2-CE1 3.39Å; D130-H200 VanDerWaalsContact OD2-CE1 3.24Å; D130-H200 IonicContact OD2-ND1 2.71Å; D130-H200 PolarHBondContact OD2-ND1 2.84Å; D130-H200 VanDerWaalsContact OD2-ND1 3.1Å
131	V	61.1	Low	62.3	Low	15 Å²	15	64.5 Å²	64.5	9%	0.091	36%	0.357	C	S	.	.			trans	-132.5	119.6	-172.1	-177.7	0	0	0	0	109.5	S133 V174 E202 V204	V131-S133 PolarHBondContact O-N 3.3Å; V131-V174 HydrophobicContact CG1-CG1 4.02Å; V131-E202 HydrophobicContact CG2-CG 4.11Å; V131-V204 HydrophobicContact CG2-CB 4.39Å; V131-V204 HydrophobicContact CG2-CG2 3.87Å
132	A	53	Low	61.2	Low	60 Å²	60	63.5 Å²	63.5	50%	0.496	35%	0.353	S	S	.	.	S	Bend	trans	-69.7	14.5	-164.9	0	0	0	0	0	116.1	K177 S178	A132-K177 HydrophobicContact CB-CB 4.29Å; A132-K177 WeakPolarHBondContact CB-O 3.36Å; A132-S178 PolarHBondContact N-OG 2.93Å
133	S	48.2	Very low	60.1	Low	25 Å²	25	64 Å²	64	18%	0.175	36%	0.359	C	S	.	.			trans	-149.5	94.3	174.1	72.8	0	0	0	0	114.4	V131 V174	V131-S133 PolarHBondContact O-N 3.3Å; S133-V174 VanDerWaalsContact OG-CG1 3.23Å; S133-V174 WeakPolarHBondContact OG-CG1 3.48Å
134	S	43.8	Very low	58.4	Low	111 Å²	111	69 Å²	69	78%	0.776	39%	0.385	S	S	*	.	S	Bend	trans	-120.7	-6.1	148.4	59.8	0	0	0	0	113
135	T	43.8	Very low	56.7	Low	132 Å²	132	73.8 Å²	73.8	81%	0.81	41%	0.411	S	S	*	.			trans	-99.1	21.3	-179.3	48.7	0	0	0	0	113.4	D137	T135-D137 PolarHBondContact O-N 3.04Å
136	L	40.8	Very low	54.9	Low	103 Å²	103	77 Å²	77	54%	0.539	44%	0.437	S	S	.	.	S	Bend	trans	-73.5	99.9	173.9	-121.7	171.1	0	0	0	108.8	L138	L136-L138 PolarHBondContact O-N 3.25Å
137	D	44.2	Very low	53	Low	109 Å²	109	85 Å²	85	58%	0.583	47%	0.474	S	S	*	.			trans	-44	123.5	-167.7	-157.6	3.5	0	0	0	113.8	T135 D139 R140	T135-D137 PolarHBondContact O-N 3.04Å; D137-D139 PolarHBondContact O-N 3.18Å; D137-R140 WeakPolarHBondContact O-CB 3.32Å; D137-R140 PolarHBondContact O-N 3.01Å
138	L	49.4	Very low	51.3	Low	136 Å²	136	88.7 Å²	88.7	71%	0.712	51%	0.505	S	S	*	.	H	α-helix	trans	-61.8	-35.8	-164.2	-145.5	78.4	0	0	0	111.7	L136 R140 Q141 A142	L136-L138 PolarHBondContact O-N 3.25Å; L138-R140 PolarHBondContact O-N 3.27Å; L138-Q141 PolarHBondContact O-N 2.92Å; L138-A142 PolarHBondContact O-N 3.26Å; L138-A142 VanDerWaalsContact O-N 3.15Å
139	D	48	Very low	49.4	Very low	126 Å²	126	92 Å²	92	67%	0.674	53%	0.531	S	S	*	.	H	α-helix	trans	-62.1	-30.5	178.7	-68	-9.9	0	0	0	112.3	D137 A142 S143	D137-D139 PolarHBondContact O-N 3.18Å; D139-A142 PolarHBondContact O-N 2.8Å; D139-S143 PolarHBondContact O-N 2.88Å
140	R	48.4	Very low	47.9	Very low	178 Å²	178	97 Å²	97	67%	0.672	57%	0.566	S	S	*	*	H	α-helix	trans	-81.6	-24.3	179.8	-157.5	175.3	-166.1	167	5.7	113.1	D137 L138 S143 I144	D137-R140 WeakPolarHBondContact O-CB 3.32Å; D137-R140 PolarHBondContact O-N 3.01Å; L138-R140 PolarHBondContact O-N 3.27Å; R140-S143 PolarHBondContact O-OG 2.85Å; R140-I144 WeakPolarHBondContact O-CG1 3.3Å
141	Q	46.8	Very low	46.6	Very low	114 Å²	114	100.4 Å²	100.4	53%	0.533	59%	0.592	S	S	.	*	H	α-helix	trans	-73	-40.4	167.8	-108	-178.7	4.9	0	0	111	L138 S143 I144 L145	L138-Q141 PolarHBondContact O-N 2.92Å; Q141-S143 PolarHBondContact O-N 3.19Å; Q141-I144 PolarHBondContact O-N 2.93Å; Q141-L145 PolarHBondContact O-N 2.89Å; Q141-L145 VanDerWaalsContact O-N 3.11Å
142	A	49	Very low	45.4	Very low	61 Å²	61	107.5 Å²	107.5	50%	0.504	63%	0.628	S	S	.	*	H	α-helix	trans	-61.1	-42.1	177.7	0	0	0	0	0	112.7	L138 D139 I144 L145 A146	L138-A142 PolarHBondContact O-N 3.26Å; L138-A142 VanDerWaalsContact O-N 3.15Å; D139-A142 PolarHBondContact O-N 2.8Å; A142-I144 PolarHBondContact O-N 3.27Å; A142-L145 PolarHBondContact O-N 3.22Å; A142-A146 PolarHBondContact O-N 2.82Å; A142-A146 VanDerWaalsContact O-N 3.13Å
143	S	50.5	Low	44.6	Very low	60 Å²	60	109.2 Å²	109.2	42%	0.42	64%	0.637	S	S	.	*	H	α-helix	trans	-63.9	-40.4	179.5	65	0	0	0	0	113.2	D139 R140 Q141 A146	D139-S143 PolarHBondContact O-N 2.88Å; R140-S143 PolarHBondContact O-OG 2.85Å; Q141-S143 PolarHBondContact O-N 3.19Å; S143-A146 PolarHBondContact O-N 3.2Å
144	I	49.3	Very low	43.8	Very low	112 Å²	112	113.2 Å²	113.2	57%	0.574	67%	0.665	S	S	*	*	H	α-helix	trans	-74.5	-33.9	-178.5	-62.6	171.6	0	0	0	111.1	R140 Q141 A142 A146	R140-I144 WeakPolarHBondContact O-CG1 3.3Å; Q141-I144 PolarHBondContact O-N 2.93Å; A142-I144 PolarHBondContact O-N 3.27Å; I144-A146 VanDerWaalsContact C-N 3.32Å
145	L	51.2	Low	43.4	Very low	122 Å²	122	113.7 Å²	113.7	64%	0.639	67%	0.668	S	S	*	*	H	α-helix	trans	-68.9	-28.5	173.9	-78.9	163.8	0	0	0	113	Q141 A142	Q141-L145 PolarHBondContact O-N 2.89Å; Q141-L145 VanDerWaalsContact O-N 3.11Å; A142-L145 PolarHBondContact O-N 3.22Å
146	A	48.8	Very low	42.9	Very low	67 Å²	67	112.3 Å²	112.3	55%	0.554	66%	0.664	S	S	*	*	H	α-helix	trans	-69.7	-37.6	177.2	0	0	0	0	0	113.2	A142 S143 I144 A148 S149	A142-A146 PolarHBondContact O-N 2.82Å; A142-A146 VanDerWaalsContact O-N 3.13Å; S143-A146 PolarHBondContact O-N 3.2Å; I144-A146 VanDerWaalsContact C-N 3.32Å; A146-A148 VanDerWaalsContact C-N 3.32Å; A146-A148 PolarHBondContact O-N 3.27Å; A146-S149 PolarHBondContact O-OG 3.05Å
147	E	46.1	Very low	42.4	Very low	174 Å²	174	113.5 Å²	113.5	81%	0.813	68%	0.678	S	S	*	*	H	α-helix	trans	-75.2	-21.3	-180	-65.6	-173.5	133.2	0	0	113
148	A	45.6	Very low	41.8	Very low	78 Å²	78	115.9 Å²	115.9	65%	0.645	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-10.5	-179.2	0	0	0	0	0	114.6	A146 S150	A146-A148 VanDerWaalsContact C-N 3.32Å; A146-A148 PolarHBondContact O-N 3.27Å; A148-S150 PolarHBondContact O-N 3.01Å
149	S	36.9	Very low	40.9	Very low	90 Å²	90	118.6 Å²	118.6	63%	0.629	70%	0.699	S	S	*	*			trans	-100.5	56.1	-167.4	61.2	0	0	0	0	115.1	A146	A146-S149 PolarHBondContact O-OG 3.05Å
150	S	37.7	Very low	40.3	Very low	110 Å²	110	120.1 Å²	120.1	77%	0.769	71%	0.707	S	S	*	*			trans	-81	128.5	166.8	58.7	0	0	0	0	110.9	A148	A148-S150 PolarHBondContact O-N 3.01Å
151	P	35	Very low	39.7	Very low	126 Å²	126	120.4 Å²	120.4	82%	0.818	72%	0.715	S	S	*	*			trans	-92.8	116.9	-160.5	33.1	-35.4	0	0	0	114.7
152	L	36.1	Very low	39	Very low	163 Å²	163	120.9 Å²	120.9	85%	0.853	73%	0.726	S	S	*	*			trans	-140.6	104.6	169.3	-99.4	158.3	0	0	0	113.2
153	S	36.2	Very low	38.7	Very low	97 Å²	97	121.6 Å²	121.6	68%	0.678	72%	0.724	S	S	*	*			trans	47.6	94.1	150.3	58.4	0	0	0	0	121.1
154	S	31.9	Very low	38.3	Very low	109 Å²	109	122.4 Å²	122.4	76%	0.762	73%	0.727	S	S	*	*				53.5	109.6	124.5	63.6	0	0	0	0	121.8
155	S	35.7	Very low	37.8	Very low	121 Å²	121	122.7 Å²	122.7	85%	0.846	74%	0.736	S	S	*	*				-172.1	153.3	116.8	50.4	0	0	0	0	113.3
156	S	33.1	Very low	37	Very low	103 Å²	103	124.4 Å²	124.4	72%	0.72	74%	0.739	S	S	*	*			trans	43	104	161.6	-161.2	0	0	0	0	120.8	N158	S156-N158 PolarHBondContact O-N 2.79Å
157	P	31.5	Very low	36.8	Very low	128 Å²	128	123 Å²	123	83%	0.831	73%	0.725	S	S	*	*			trans	-91.7	80.8	169.1	35.7	-31.1	0	0	0	111.9
158	N	31.6	Very low	36.8	Very low	159 Å²	159	117.3 Å²	117.3	85%	0.85	71%	0.707	S	S	*	*			trans	-164.3	57.3	172	-117.6	-11.4	0	0	0	114.1	S156	S156-N158 PolarHBondContact O-N 2.79Å
159	E	30.3	Very low	37	Very low	193 Å²	193	116.2 Å²	116.2	90%	0.902	70%	0.698	S	S	*	*			trans	-143.7	143	167.5	-139.6	163.1	-136.2	0	0	111.2
160	L	35	Very low	37.5	Very low	158 Å²	158	114.9 Å²	114.9	83%	0.827	69%	0.686	S	S	*	*			trans	-85.8	129.1	-170	-173.7	67	0	0	0	110.5	T162	L160-T162 PolarHBondContact O-N 2.97Å
161	H	36	Very low	38.5	Very low	183 Å²	183	114 Å²	114	85%	0.847	67%	0.667	S	S	*	*			trans	-30.7	95.5	-172.2	-60.9	-77	0	0	0	116.2
162	T	31.7	Very low	39.5	Very low	125 Å²	125	110 Å²	110	77%	0.767	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-75.4	124.5	159.8	42.2	0	0	0	0	109.1	L160 T164	L160-T162 PolarHBondContact O-N 2.97Å; T162-T164 PolarHBondContact O-N 3.47Å
163	T	41.6	Very low	40.5	Very low	76 Å²	76	104.3 Å²	104.3	47%	0.466	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-67.2	130.1	174.3	41.5	0	0	0	0	110.4
164	T	42.9	Very low	41.6	Very low	77 Å²	77	100.3 Å²	100.3	47%	0.472	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-63.4	159.3	171.8	66.3	0	0	0	0	110.8	T162 F166 S167 A168	T162-T164 PolarHBondContact O-N 3.47Å; T164-F166 PolarHBondContact O-N 3.02Å; T164-F166 PolarHBondContact OG1-N 3.24Å; T164-S167 PolarHBondContact N-OG 2.87Å; T164-S167 WeakPolarHBondContact O-CB 3.31Å; T164-S167 PolarHBondContact O-N 2.93Å; T164-S167 PolarHBondContact OG1-N 3.23Å; T164-S167 PolarHBondContact OG1-OG 3.13Å; T164-A168 PolarHBondContact O-N 2.94Å
165	P	39.9	Very low	43	Very low	118 Å²	118	96 Å²	96	77%	0.766	56%	0.555	S	S	*	*	H	α-helix	trans	-54.2	-27.9	172.7	-27	35.8	0	0	0	113.4	A169	P165-A169 PolarHBondContact O-N 3.07Å; P165-A169 VanDerWaalsContact O-N 3.15Å
166	F	34.3	Very low	44.1	Very low	158 Å²	158	96.6 Å²	96.6	69%	0.693	55%	0.549	S	S	*	.	H	α-helix	trans	-68.3	-43.3	174	-169.7	-96.1	0	0	0	112.4	T164 A168 A169 V170	T164-F166 PolarHBondContact O-N 3.02Å; T164-F166 PolarHBondContact OG1-N 3.24Å; F166-A168 VanDerWaalsContact C-N 3.32Å; F166-A168 PolarHBondContact O-N 2.56Å; F166-A169 PolarHBondContact O-N 2.89Å; F166-V170 HydrophobicContact CD1-CG2 4.1Å; F166-V170 HydrophobicContact CE1-CG2 3.83Å; F166-V170 HydrophobicContact CZ-CG2 4.3Å; F166-V170 WeakPolarHBondContact O-CG2 3.15Å; F166-V170 PolarHBondContact O-N 2.82Å
167	S	44	Very low	45.3	Very low	37 Å²	37	98.8 Å²	98.8	26%	0.259	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-42.4	175.7	-40.2	0	0	0	0	111.2	T164 V170 Y171	T164-S167 PolarHBondContact N-OG 2.87Å; T164-S167 WeakPolarHBondContact O-CB 3.31Å; T164-S167 PolarHBondContact O-N 2.93Å; T164-S167 PolarHBondContact OG1-N 3.23Å; T164-S167 PolarHBondContact OG1-OG 3.13Å; S167-V170 PolarHBondContact O-N 2.94Å; S167-Y171 WeakPolarHBondContact O-CD2 3.29Å; S167-Y171 PolarHBondContact O-N 2.89Å
168	A	45.8	Very low	46.8	Very low	54 Å²	54	93.2 Å²	93.2	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-42.6	177.6	0	0	0	0	0	112.2	T164 F166 Y171 S172	T164-A168 PolarHBondContact O-N 2.94Å; F166-A168 VanDerWaalsContact C-N 3.32Å; F166-A168 PolarHBondContact O-N 2.56Å; A168-Y171 PolarHBondContact O-N 3.17Å; A168-S172 PolarHBondContact O-N 2.76Å
169	A	49.2	Very low	48.1	Very low	56 Å²	56	91.6 Å²	91.6	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-68.2	-33.4	175.8	0	0	0	0	0	113.3	P165 F166 S172 S173	P165-A169 PolarHBondContact O-N 3.07Å; P165-A169 VanDerWaalsContact O-N 3.15Å; F166-A169 PolarHBondContact O-N 2.89Å; A169-S172 PolarHBondContact O-OG 3.06Å; A169-S173 PolarHBondContact O-N 2.8Å
170	V	48.7	Very low	49.7	Very low	61 Å²	61	85.9 Å²	85.9	37%	0.37	48%	0.476	S	S	.	.	H	α-helix	trans	-67.3	-45.9	172.2	171.9	0	0	0	0	110.3	F166 S167 S173 V174	F166-V170 HydrophobicContact CD1-CG2 4.1Å; F166-V170 HydrophobicContact CE1-CG2 3.83Å; F166-V170 HydrophobicContact CZ-CG2 4.3Å; F166-V170 WeakPolarHBondContact O-CG2 3.15Å; F166-V170 PolarHBondContact O-N 2.82Å; S167-V170 PolarHBondContact O-N 2.94Å; V170-S173 CarbonylContact O-C 3.56Å; V170-S173 PolarHBondContact O-N 3.47Å; V170-S173 VanDerWaalsContact O-N 3.15Å; V170-S173 PolarHBondContact O-OG 2.85Å; V170-V174 PolarHBondContact O-N 3.12Å
171	Y	57.1	Low	51.2	Low	92 Å²	92	80 Å²	80	36%	0.361	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-37.5	178.9	-89.1	-67	0	0	0	113.5	R95 S167 A168 S173 V174 L175	R95-Y171 PolarHBondContact NH1-OH 3.49Å; S167-Y171 WeakPolarHBondContact O-CD2 3.29Å; S167-Y171 PolarHBondContact O-N 2.89Å; A168-Y171 PolarHBondContact O-N 3.17Å; Y171-S173 VanDerWaalsContact C-N 3.3Å; Y171-S173 PolarHBondContact O-N 2.71Å; Y171-V174 WeakPolarHBondContact O-CB 3.34Å; Y171-V174 PolarHBondContact O-N 2.87Å; Y171-V174 VanDerWaalsContact O-N 3.1Å; Y171-L175 PolarHBondContact O-N 2.96Å
172	S	57.2	Low	52.7	Low	42 Å²	42	72 Å²	72	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-60.4	-43	170.7	64.1	0	0	0	0	110.9	A168 A169 V174 L175 D176	A168-S172 PolarHBondContact O-N 2.76Å; A169-S172 PolarHBondContact O-OG 3.06Å; S172-V174 PolarHBondContact O-N 3.12Å; S172-L175 PolarHBondContact O-N 3.26Å; S172-L175 VanDerWaalsContact O-N 3.12Å; S172-D176 WeakPolarHBondContact O-CB 3.44Å; S172-D176 PolarHBondContact O-N 3.07Å
173	S	56.7	Low	54.8	Low	44 Å²	44	71 Å²	71	31%	0.308	40%	0.395	S	S	.	.	H	α-helix	trans	-68.6	-3.7	176.2	84.9	0	0	0	0	115.7	A169 V170 Y171 K177	A169-S173 PolarHBondContact O-N 2.8Å; V170-S173 CarbonylContact O-C 3.56Å; V170-S173 PolarHBondContact O-N 3.47Å; V170-S173 VanDerWaalsContact O-N 3.15Å; V170-S173 PolarHBondContact O-OG 2.85Å; Y171-S173 VanDerWaalsContact C-N 3.3Å; Y171-S173 PolarHBondContact O-N 2.71Å; S173-K177 VanDerWaalsContact O-CD 3.26Å; S173-K177 WeakPolarHBondContact O-CD 3.26Å; S173-K177 WeakPolarHBondContact O-CE 3.4Å; S173-K177 WeakPolarHBondContact O-CG 3.32Å; S173-K177 PolarHBondContact O-NZ 2.92Å
174	V	58.9	Low	56.8	Low	13 Å²	13	68 Å²	68	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-96.8	-43.4	170.1	165.9	0	0	0	0	110.3	V131 S133 V170 Y171 S172 K177 S178	V131-V174 HydrophobicContact CG1-CG1 4.02Å; S133-V174 VanDerWaalsContact OG-CG1 3.23Å; S133-V174 WeakPolarHBondContact OG-CG1 3.48Å; V170-V174 PolarHBondContact O-N 3.12Å; Y171-V174 WeakPolarHBondContact O-CB 3.34Å; Y171-V174 PolarHBondContact O-N 2.87Å; Y171-V174 VanDerWaalsContact O-N 3.1Å; S172-V174 PolarHBondContact O-N 3.12Å; V174-K177 CarbonylContact O-C 3.55Å; V174-K177 PolarHBondContact O-N 3.02Å; V174-K177 VanDerWaalsContact O-N 3.09Å; V174-S178 PolarHBondContact O-N 2.78Å; V174-S178 VanDerWaalsContact O-N 3.16Å; V174-S178 PolarHBondContact O-OG 3.34Å
175	L	62	Low	58.6	Low	18 Å²	18	64.3 Å²	64.3	9%	0.094	35%	0.353	C	S	.	.	H	α-helix	trans	-67.4	-35.7	175.2	-64.4	177.5	0	0	0	111.8	Y128 Y171 S172 K177 S178 V204	Y128-L175 HydrophobicContact CD2-CD2 4.19Å; Y128-L175 HydrophobicContact CE1-CB 4.49Å; Y128-L175 HydrophobicContact CE2-CD2 4.26Å; Y128-L175 HydrophobicContact CG-CD2 4.35Å; Y171-L175 PolarHBondContact O-N 2.96Å; S172-L175 PolarHBondContact O-N 3.26Å; S172-L175 VanDerWaalsContact O-N 3.12Å; L175-K177 PolarHBondContact O-N 3.39Å; L175-S178 PolarHBondContact O-N 2.91Å; L175-V204 HydrophobicContact CD2-CB 4.43Å; L175-V204 HydrophobicContact CD2-CG1 4.04Å
176	D	58.3	Low	60.6	Low	133 Å²	133	59.6 Å²	59.6	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-10	170.1	-67	-29.1	0	0	0	113.7	S172	S172-D176 WeakPolarHBondContact O-CB 3.44Å; S172-D176 PolarHBondContact O-N 3.07Å
177	K	58.2	Low	62.8	Low	149 Å²	149	56 Å²	56	65%	0.648	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	1.1	177.6	-62.4	174.8	-170.3	145.1	0	113.4	A132 S173 V174 L175	A132-K177 HydrophobicContact CB-CB 4.29Å; A132-K177 WeakPolarHBondContact CB-O 3.36Å; S173-K177 VanDerWaalsContact O-CD 3.26Å; S173-K177 WeakPolarHBondContact O-CD 3.26Å; S173-K177 WeakPolarHBondContact O-CE 3.4Å; S173-K177 WeakPolarHBondContact O-CG 3.32Å; S173-K177 PolarHBondContact O-NZ 2.92Å; V174-K177 CarbonylContact O-C 3.55Å; V174-K177 PolarHBondContact O-N 3.02Å; V174-K177 VanDerWaalsContact O-N 3.09Å; L175-K177 PolarHBondContact O-N 3.39Å
178	S	63.3	Low	64	Low	11 Å²	11	56.1 Å²	56.1	8%	0.077	31%	0.309	C	S	.	.	S	Bend	trans	-101.4	136.4	-179.3	-58.4	0	0	0	0	108.8	A132 V174 L175 L180	A132-S178 PolarHBondContact N-OG 2.93Å; V174-S178 PolarHBondContact O-N 2.78Å; V174-S178 VanDerWaalsContact O-N 3.16Å; V174-S178 PolarHBondContact O-OG 3.34Å; L175-S178 PolarHBondContact O-N 2.91Å; S178-L180 PolarHBondContact O-N 2.88Å
179	D	58.4	Low	65.5	Low	126 Å²	126	53.5 Å²	53.5	67%	0.674	29%	0.287	S	S	*	.			trans	-67.5	111.1	-176.2	-86.2	-40.6	0	0	0	111.2	L181	D179-L181 PolarHBondContact O-N 2.75Å
180	L	63.9	Low	66.7	Low	72 Å²	72	53.1 Å²	53.1	38%	0.377	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	114.2	174	178.2	66.2	0	0	0	109.4	D126 Y128 S178 G182	D126-L180 HydrophobicContact CB-CD1 3.56Å; Y128-L180 HydrophobicContact CD1-CB 4.42Å; Y128-L180 HydrophobicContact CD1-CD1 4.48Å; Y128-L180 HydrophobicContact CE1-CB 4Å; Y128-L180 HydrophobicContact CE1-CD1 4.06Å; Y128-L180 HydrophobicContact CE2-CD1 4.18Å; S178-L180 PolarHBondContact O-N 2.88Å; L180-G182 VanDerWaalsContact C-N 3.33Å
181	L	67.1	Low	67.5	Low	34 Å²	34	54 Å²	54	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-39.5	175.9	177.9	63.7	0	0	0	111.3	V127 I129 D179 F196	V127-L181 HydrophobicContact CG1-CD2 4.26Å; V127-L181 WeakPolarHBondContact O-CB 3.27Å; V127-L181 PolarHBondContact O-N 3.04Å; I129-L181 HydrophobicContact CD1-CD1 3.98Å; I129-L181 HydrophobicContact CD1-CD2 4.15Å; I129-L181 HydrophobicContact CD1-CG 4.49Å; I129-L181 HydrophobicContact CG1-CB 4.37Å; I129-L181 HydrophobicContact CG1-CD2 4.4Å; I129-L181 HydrophobicContact CG2-CD2 3.71Å; D179-L181 PolarHBondContact O-N 2.75Å; L181-F196 HydrophobicContact CD2-CD1 3.6Å; L181-F196 HydrophobicContact CD2-CE1 3.65Å
182	G	67.4	Low	67.7	Low	17 Å²	17	51.8 Å²	51.8	18%	0.175	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	158.9	178.9	0	0	0	0	0	113.1	V127 L180	V127-G182 PolarHBondContact N-O 2.85Å; V127-G182 VanDerWaalsContact N-O 3.09Å; L180-G182 VanDerWaalsContact C-N 3.33Å
183	R	76.8	Confident	68.2	Low	103 Å²	103	54.6 Å²	54.6	39%	0.389	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.2	171.1	-177.5	166.5	-71.2	-169.8	-2	109.2	C120 F124 D126	C120-R183 HydrophobicContact CB-CG 3.84Å; F124-R183 HydrophobicContact CB-CG 3.61Å; F124-R183 HydrophobicContact CD2-CG 3.98Å; F124-R183 VanDerWaalsContact CE2-NH2 3.34Å; F124-R183 HydrophobicContact CG-CG 3.92Å; F124-R183 VanDerWaalsContact CZ-CZ 3.48Å; D126-R183 WeakPolarHBondContact OD1-CA 3.38Å; D126-R183 WeakPolarHBondContact OD1-CB 3.46Å; D126-R183 WeakPolarHBondContact OD1-CG 3.49Å; D126-R183 IonicContact OD1-CZ 3.29Å; D126-R183 IonicContact OD1-NE 2.77Å; D126-R183 PolarHBondContact OD1-NE 3.03Å; D126-R183 IonicContact OD1-NH2 3.03Å; D126-R183 IonicContact OD2-CZ 2.68Å; D126-R183 IonicContact OD2-NE 2.71Å; D126-R183 PolarHBondContact OD2-NE 2.96Å; D126-R183 IonicContact OD2-NH2 3.16Å; D126-R183 PolarHBondContact OD2-NH2 2.9Å
184	Y	81.7	Confident	68.6	Low	13 Å²	13	53.1 Å²	53.1	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.4	-173.7	-55.9	-76.5	0	0	0	112.5	F124 L125 V127 Y188 L189 F196	F124-Y184 CarbonylContact C-O 3.59Å; F124-Y184 WeakPolarHBondContact CA-O 3.3Å; L125-Y184 PolarHBondContact N-O 3.11Å; L125-Y184 PolarHBondContact O-N 3.31Å; V127-Y184 HydrophobicContact CB-CE2 4.1Å; V127-Y184 HydrophobicContact CG2-CD2 3.78Å; V127-Y184 HydrophobicContact CG2-CE2 3.71Å; Y184-Y188 AromaticContact CD1-CD1 3.79Å; Y184-Y188 HydrophobicContact CD1-CD1 3.79Å; Y184-Y188 HydrophobicContact CD1-CE1 4.21Å; Y184-Y188 HydrophobicContact CE1-CD1 4.16Å; Y184-Y188 HydrophobicContact CE1-CE1 4.11Å; Y184-L189 HydrophobicContact CD1-CD2 3.6Å; Y184-L189 HydrophobicContact CD1-CG 4.22Å; Y184-L189 HydrophobicContact CD2-CD1 4.29Å; Y184-L189 HydrophobicContact CD2-CD2 4.1Å; Y184-L189 HydrophobicContact CE1-CD2 3.86Å; Y184-L189 HydrophobicContact CE2-CD2 4.32Å; Y184-L189 HydrophobicContact CG-CD1 4.13Å; Y184-L189 HydrophobicContact CG-CD2 3.72Å; Y184-L189 HydrophobicContact CG-CG 4.01Å; Y184-F196 HydrophobicContact CD2-CZ 4.46Å; Y184-F196 HydrophobicContact CE2-CE1 4.1Å; Y184-F196 AromaticContact CE2-CZ 3.82Å; Y184-F196 HydrophobicContact CE2-CZ 3.82Å
185	C	82	Confident	69.4	Low	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.			trans	-150.9	-176.6	176.9	65.4	0	0	0	0	110	G115 D116 C120 D123	G115-C185 VanDerWaalsContact C-SG 3.59Å; G115-C185 PolarHBondContact O-SG 3.08Å; G115-C185 VanDerWaalsContact O-SG 3.41Å; D116-C185 PolarHBondContact O-SG 2.67Å; C120-C185 WeakPolarHBondContact CA-SG 3.01Å; C120-C185 HydrophobicContact CB-CB 3.59Å; C120-C185 WeakPolarHBondContact CB-SG 3.4Å; C120-C185 WeakPolarHBondContact SG-CB 3.34Å; C120-C185 PolarHBondContact SG-N 3.39Å; C120-C185 CovalentContact SG-SG 2.04Å; C120-C185 PolarHBondContact SG-SG 2.78Å; D123-C185 WeakPolarHBondContact O-CB 3.41Å
186	G	81	Confident	70	Confident	19 Å²	19	53.6 Å²	53.6	20%	0.196	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	61.5	-146.1	-174.1	0	0	0	0	0	111.1	F111 V112 L113 G115	F111-G186 WeakPolarHBondContact CD1-O 3.43Å; F111-G186 WeakPolarHBondContact CE1-O 3.12Å; V112-G186 CarbonylContact C-O 3.55Å; V112-G186 VanDerWaalsContact CA-O 3.28Å; V112-G186 WeakPolarHBondContact CA-O 3.38Å; L113-G186 PolarHBondContact N-O 3.26Å; L113-G186 WeakPolarHBondContact O-CA 3.48Å; L113-G186 PolarHBondContact O-N 2.87Å; L113-G186 VanDerWaalsContact O-N 3.16Å; G115-G186 WeakPolarHBondContact O-CA 3.47Å; G115-G186 PolarHBondContact O-N 3.2Å; G115-G186 VanDerWaalsContact O-N 3.12Å
187	D	80.5	Confident	70.7	Confident	82 Å²	82	48 Å²	48	44%	0.439	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.5	177.1	66.3	25.3	0	0	0	114.6	F111 V112 L189 S190 T191	F111-D187 WeakPolarHBondContact O-CA 3.42Å; V112-D187 HydrophobicContact CG2-CB 4.5Å; D187-L189 PolarHBondContact O-N 2.91Å; D187-L189 VanDerWaalsContact O-N 3.12Å; D187-S190 PolarHBondContact O-N 2.89Å; D187-S190 PolarHBondContact O-OG 3.24Å; D187-T191 HydrophobicContact CB-CG2 4Å; D187-T191 PolarHBondContact O-N 3.12Å; D187-T191 VanDerWaalsContact O-N 3.11Å; D187-T191 PolarHBondContact O-OG1 2.85Å; D187-T191 WeakPolarHBondContact OD1-CG2 3.07Å; D187-T191 PolarHBondContact OD1-OG1 3.49Å; D187-T191 WeakPolarHBondContact OD2-CG2 3.18Å
188	Y	70.9	Confident	71.4	Confident	39 Å²	39	41 Å²	41	15%	0.153	23%	0.232	C	C	.	.	H	α-helix	trans	-55.5	-41.9	-151.9	-176.6	-96.5	0	0	0	116.1	M117 Y184 S190 T191 N192 Y314	M117-Y188 HydrophobicContact CE-CD2 3.71Å; M117-Y188 HydrophobicContact CE-CE2 3.39Å; M117-Y188 HydrophobicContact CG-CD2 4.4Å; Y184-Y188 AromaticContact CD1-CD1 3.79Å; Y184-Y188 HydrophobicContact CD1-CD1 3.79Å; Y184-Y188 HydrophobicContact CD1-CE1 4.21Å; Y184-Y188 HydrophobicContact CE1-CD1 4.16Å; Y184-Y188 HydrophobicContact CE1-CE1 4.11Å; Y188-S190 VanDerWaalsContact C-N 3.32Å; Y188-S190 PolarHBondContact O-N 2.85Å; Y188-T191 WeakPolarHBondContact CA-OG1 3.46Å; Y188-T191 PolarHBondContact O-OG1 3.18Å; Y188-N192 VanDerWaalsContact CE2-ND2 3.29Å; Y188-N192 WeakPolarHBondContact CE2-ND2 3.41Å; Y188-N192 PolarHBondContact O-N 3.5Å; Y188-N192 VanDerWaalsContact O-N 3.11Å; Y188-N192 PolarHBondContact O-ND2 3.43Å; Y188-Y314 PolarHBondContact OH-OH 3.11Å; Y188-Y314 VanDerWaalsContact OH-OH 3.04Å
189	L	76.5	Confident	71.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-33.4	-179.8	-64.1	-179.9	0	0	0	112	F108 F111 L125 Y184 D187 S193 V194 F196	F108-L189 HydrophobicContact CB-CB 4.5Å; F108-L189 HydrophobicContact CD2-CD1 3.96Å; F108-L189 HydrophobicContact CE2-CD1 3.93Å; F108-L189 HydrophobicContact CG-CB 4.47Å; F108-L189 HydrophobicContact CG-CD1 4.3Å; F108-L189 HydrophobicContact CZ-CD1 4.21Å; F111-L189 HydrophobicContact CB-CB 4.17Å; F111-L189 HydrophobicContact CD1-CB 3.97Å; F111-L189 HydrophobicContact CD1-CD1 4.31Å; F111-L189 HydrophobicContact CD1-CG 4.16Å; F111-L189 HydrophobicContact CD2-CD1 3.85Å; F111-L189 HydrophobicContact CE1-CB 4.49Å; F111-L189 HydrophobicContact CE1-CD1 4.23Å; F111-L189 HydrophobicContact CE1-CG 4.19Å; F111-L189 HydrophobicContact CE2-CD1 3.77Å; F111-L189 HydrophobicContact CG-CB 3.97Å; F111-L189 HydrophobicContact CG-CD1 4.12Å; F111-L189 HydrophobicContact CG-CG 4.33Å; F111-L189 HydrophobicContact CZ-CD1 3.96Å; F111-L189 HydrophobicContact CZ-CG 4.39Å; L125-L189 HydrophobicContact CD2-CD1 4.26Å; Y184-L189 HydrophobicContact CD1-CD2 3.6Å; Y184-L189 HydrophobicContact CD1-CG 4.22Å; Y184-L189 HydrophobicContact CD2-CD1 4.29Å; Y184-L189 HydrophobicContact CD2-CD2 4.1Å; Y184-L189 HydrophobicContact CE1-CD2 3.86Å; Y184-L189 HydrophobicContact CE2-CD2 4.32Å; Y184-L189 HydrophobicContact CG-CD1 4.13Å; Y184-L189 HydrophobicContact CG-CD2 3.72Å; Y184-L189 HydrophobicContact CG-CG 4.01Å; D187-L189 PolarHBondContact O-N 2.91Å; D187-L189 VanDerWaalsContact O-N 3.12Å; L189-S193 PolarHBondContact O-N 3.35Å; L189-V194 HydrophobicContact CD2-CB 3.9Å; L189-V194 HydrophobicContact CD2-CG1 4.12Å; L189-V194 HydrophobicContact CD2-CG2 4.18Å; L189-V194 PolarHBondContact O-N 2.91Å; L189-F196 HydrophobicContact CD1-CE2 4.27Å; L189-F196 HydrophobicContact CD1-CZ 4.47Å; L189-F196 HydrophobicContact CD2-CE2 4.06Å; L189-F196 HydrophobicContact CD2-CZ 3.73Å
190	S	73.6	Confident	71.8	Confident	48 Å²	48	40.1 Å²	40.1	34%	0.336	22%	0.224	S	C	.	.	H	α-helix	trans	-78.4	-40.3	177.2	74.6	0	0	0	0	112	F111 D187 Y188 N192 S193	F111-S190 PolarHBondContact O-OG 3.02Å; D187-S190 PolarHBondContact O-N 2.89Å; D187-S190 PolarHBondContact O-OG 3.24Å; Y188-S190 VanDerWaalsContact C-N 3.32Å; Y188-S190 PolarHBondContact O-N 2.85Å; S190-N192 PolarHBondContact O-N 2.86Å; S190-S193 PolarHBondContact O-N 2.89Å
191	T	67.3	Low	72.3	Confident	80 Å²	80	41.9 Å²	41.9	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-73.5	-24.1	-178.8	46.4	0	0	0	0	114	D187 Y188	D187-T191 HydrophobicContact CB-CG2 4Å; D187-T191 PolarHBondContact O-N 3.12Å; D187-T191 VanDerWaalsContact O-N 3.11Å; D187-T191 PolarHBondContact O-OG1 2.85Å; D187-T191 WeakPolarHBondContact OD1-CG2 3.07Å; D187-T191 PolarHBondContact OD1-OG1 3.49Å; D187-T191 WeakPolarHBondContact OD2-CG2 3.18Å; Y188-T191 WeakPolarHBondContact CA-OG1 3.46Å; Y188-T191 PolarHBondContact O-OG1 3.18Å
192	N	59.3	Low	72.8	Confident	45 Å²	45	41.3 Å²	41.3	24%	0.241	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	5.6	172.3	-67.7	-84.7	0	0	0	113.9	Y188 S190 V194 R422	Y188-N192 VanDerWaalsContact CE2-ND2 3.29Å; Y188-N192 WeakPolarHBondContact CE2-ND2 3.41Å; Y188-N192 PolarHBondContact O-N 3.5Å; Y188-N192 VanDerWaalsContact O-N 3.11Å; Y188-N192 PolarHBondContact O-ND2 3.43Å; S190-N192 PolarHBondContact O-N 2.86Å; N192-V194 VanDerWaalsContact C-N 3.28Å; N192-V194 HydrophobicContact CB-CG2 3.86Å; N192-V194 PolarHBondContact O-N 2.83Å; N192-R422 PolarHBondContact OD1-NH2 3.49Å; N192-R422 VanDerWaalsContact OD1-NH2 3.09Å
193	S	68.8	Low	73.5	Confident	101 Å²	101	40.5 Å²	40.5	71%	0.706	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	45.5	179.9	57.1	0	0	0	0	113.6	L189 S190	L189-S193 PolarHBondContact O-N 3.35Å; S190-S193 PolarHBondContact O-N 2.89Å
194	V	65.9	Low	73.9	Confident	12 Å²	12	35.8 Å²	35.8	7%	0.073	20%	0.196	C	C	.	.			trans	-75.2	131.4	-173.3	-177.5	0	0	0	0	110.7	L189 N192 F196	L189-V194 HydrophobicContact CD2-CB 3.9Å; L189-V194 HydrophobicContact CD2-CG1 4.12Å; L189-V194 HydrophobicContact CD2-CG2 4.18Å; L189-V194 PolarHBondContact O-N 2.91Å; N192-V194 VanDerWaalsContact C-N 3.28Å; N192-V194 HydrophobicContact CB-CG2 3.86Å; N192-V194 PolarHBondContact O-N 2.83Å; V194-F196 HydrophobicContact CG1-CE1 4.03Å; V194-F196 HydrophobicContact CG1-CE2 4.07Å; V194-F196 HydrophobicContact CG1-CZ 3.74Å
195	T	74.2	Confident	74.2	Confident	33 Å²	33	35.1 Å²	35.1	20%	0.202	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	157.5	168.6	59.3	0	0	0	0	110.6	I106 K107	I106-T195 CarbonylContact O-C 3.57Å; I106-T195 WeakPolarHBondContact O-CA 3.46Å; K107-T195 HydrophobicContact CB-CG2 4.01Å; K107-T195 HydrophobicContact CD-CG2 4.34Å; K107-T195 HydrophobicContact CG-CG2 4.16Å
196	F	74.6	Confident	74.5	Confident	8 Å²	8	35.4 Å²	35.4	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.9	178.8	-57.9	-82.2	0	0	0	109.8	H105 I106 F108 V127 L181 Y184 L189 V194 I203	H105-F196 CarbonylContact C-O 3.5Å; H105-F196 WeakPolarHBondContact CA-O 3.46Å; I106-F196 HydrophobicContact CB-CB 4.4Å; I106-F196 PolarHBondContact N-O 2.9Å; I106-F196 PolarHBondContact O-N 3.2Å; F108-F196 HydrophobicContact CD2-CD2 4.46Å; F108-F196 HydrophobicContact CD2-CE2 4.11Å; F108-F196 HydrophobicContact CE2-CD2 4.02Å; F108-F196 AromaticContact CE2-CE2 3.73Å; F108-F196 HydrophobicContact CE2-CE2 3.73Å; V127-F196 HydrophobicContact CG1-CD1 3.94Å; V127-F196 HydrophobicContact CG1-CE1 3.99Å; V127-F196 HydrophobicContact CG1-CG 4.36Å; V127-F196 HydrophobicContact CG1-CZ 4.44Å; V127-F196 HydrophobicContact CG2-CZ 4.24Å; L181-F196 HydrophobicContact CD2-CD1 3.6Å; L181-F196 HydrophobicContact CD2-CE1 3.65Å; Y184-F196 HydrophobicContact CD2-CZ 4.46Å; Y184-F196 HydrophobicContact CE2-CE1 4.1Å; Y184-F196 AromaticContact CE2-CZ 3.82Å; Y184-F196 HydrophobicContact CE2-CZ 3.82Å; L189-F196 HydrophobicContact CD1-CE2 4.27Å; L189-F196 HydrophobicContact CD1-CZ 4.47Å; L189-F196 HydrophobicContact CD2-CE2 4.06Å; L189-F196 HydrophobicContact CD2-CZ 3.73Å; V194-F196 HydrophobicContact CG1-CE1 4.03Å; V194-F196 HydrophobicContact CG1-CE2 4.07Å; V194-F196 HydrophobicContact CG1-CZ 3.74Å; F196-I203 HydrophobicContact CB-CD1 4.45Å
197	I	72.6	Confident	74.8	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.5	179.3	-60.7	175.7	0	0	0	108.4	K103 V104 H105 F241	K103-I197 HydrophobicContact CD-CG2 4.46Å; V104-I197 WeakPolarHBondContact O-CA 3.41Å; H105-I197 HydrophobicContact CB-CG1 4.47Å; I197-F241 HydrophobicContact CD1-CD2 4.23Å; I197-F241 HydrophobicContact CD1-CE1 3.96Å; I197-F241 HydrophobicContact CD1-CE2 3.57Å; I197-F241 HydrophobicContact CD1-CZ 3.41Å; I197-F241 VanDerWaalsContact CD1-CZ 3.41Å
198	S	73	Confident	75.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.007	18%	0.18	C	C	.	.			trans	-74.8	131.8	-175.8	66.9	0	0	0	0	112.5	K103 V104 H200	K103-S198 WeakPolarHBondContact CA-OG 3.46Å; K103-S198 PolarHBondContact NZ-O 3.11Å; V104-S198 PolarHBondContact N-OG 2.84Å; V104-S198 PolarHBondContact O-N 3.31Å; S198-H200 VanDerWaalsContact CB-O 3.31Å; S198-H200 WeakPolarHBondContact CB-O 3.37Å; S198-H200 PolarHBondContact OG-O 2.88Å
199	L	63.9	Low	75.8	Confident	27 Å²	27	32.6 Å²	32.6	14%	0.141	17%	0.173	C	C	.	.	S	Bend	trans	-67.9	-46.6	172.1	-68.3	172.2	0	0	0	110.6	K103 I129 P309 P316	K103-L199 PolarHBondContact NZ-O 3.22Å; I129-L199 HydrophobicContact CD1-CD1 3.71Å; I129-L199 HydrophobicContact CD1-CG 4.04Å; I129-L199 HydrophobicContact CG1-CD1 4.02Å; I129-L199 HydrophobicContact CG1-CG 4.45Å; L199-P309 HydrophobicContact CD2-CB 3.73Å; L199-P316 HydrophobicContact CD1-CG 3.99Å
200	H	67.3	Low	75.9	Confident	93 Å²	93	36.3 Å²	36.3	43%	0.431	19%	0.19	S	C	.	.	S	Bend	trans	-100	-136	168.6	-63.9	123.6	0	0	0	110	K103 D130 S198	K103-H200 PolarHBondContact NZ-O 2.83Å; D130-H200 IonicContact OD1-CE1 3.59Å; D130-H200 IonicContact OD1-CG 2.83Å; D130-H200 IonicContact OD1-ND1 3.59Å; D130-H200 PolarHBondContact OD1-ND1 3.48Å; D130-H200 IonicContact OD2-CE1 2.77Å; D130-H200 PolarHBondContact OD2-CE1 3.39Å; D130-H200 VanDerWaalsContact OD2-CE1 3.24Å; D130-H200 IonicContact OD2-ND1 2.71Å; D130-H200 PolarHBondContact OD2-ND1 2.84Å; D130-H200 VanDerWaalsContact OD2-ND1 3.1Å; S198-H200 VanDerWaalsContact CB-O 3.31Å; S198-H200 WeakPolarHBondContact CB-O 3.37Å; S198-H200 PolarHBondContact OG-O 2.88Å
201	R	74.7	Confident	75.5	Confident	109 Å²	109	40.4 Å²	40.4	41%	0.411	21%	0.207	S	C	.	.	S	Bend	trans	-106.1	4.6	-176.5	-66.8	171.1	58.7	-146	-8.3	113.4	I97 A98 D99	I97-R201 CarbonylContact C-O 3.52Å; I97-R201 WeakPolarHBondContact CA-O 3.15Å; A98-R201 HydrophobicContact CB-CB 4.33Å; A98-R201 PolarHBondContact N-O 2.83Å; A98-R201 PolarHBondContact O-NE 3.48Å; A98-R201 PolarHBondContact O-NH2 3.35Å; D99-R201 VanDerWaalsContact C-NE 3.35Å; D99-R201 PolarHBondContact O-NE 2.83Å
202	E	77.6	Confident	75.1	Confident	22 Å²	22	44 Å²	44	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.2	-172.7	-170.8	163.8	141.3	0	0	111.8	R95 F96 I97 V131	R95-E202 IonicContact CZ-OE1 3.84Å; R95-E202 VanDerWaalsContact CZ-OE1 3.23Å; R95-E202 IonicContact CZ-OE2 3.83Å; R95-E202 VanDerWaalsContact NE-CD 3.33Å; R95-E202 IonicContact NE-OE1 3.96Å; R95-E202 PolarHBondContact NE-OE1 2.85Å; R95-E202 IonicContact NE-OE2 3.96Å; R95-E202 PolarHBondContact NE-OE2 3.32Å; R95-E202 VanDerWaalsContact NH2-CD 3.34Å; R95-E202 IonicContact NH2-OE1 2.87Å; R95-E202 PolarHBondContact NH2-OE1 2.89Å; R95-E202 IonicContact NH2-OE2 3.59Å; R95-E202 PolarHBondContact NH2-OE2 3.31Å; F96-E202 CarbonylContact O-C 3.43Å; F96-E202 VanDerWaalsContact O-CA 3.24Å; F96-E202 WeakPolarHBondContact O-CA 3.23Å; I97-E202 HydrophobicContact CG1-CG 4.08Å; V131-E202 HydrophobicContact CG2-CG 4.11Å
203	I	82.1	Confident	74.4	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.6	163.6	-57	-178.5	0	0	0	107.9	F96 V104 I106 Y128 F196 L205	F96-I203 PolarHBondContact N-O 3.43Å; F96-I203 PolarHBondContact O-N 3.47Å; V104-I203 HydrophobicContact CB-CD1 3.8Å; V104-I203 HydrophobicContact CB-CG1 4.01Å; V104-I203 HydrophobicContact CG1-CD1 4.08Å; V104-I203 HydrophobicContact CG1-CG1 4.45Å; V104-I203 HydrophobicContact CG2-CG1 4.34Å; I106-I203 HydrophobicContact CD1-CB 4.13Å; I106-I203 HydrophobicContact CD1-CD1 3.92Å; I106-I203 HydrophobicContact CD1-CG2 3.89Å; I106-I203 HydrophobicContact CG1-CD1 4.19Å; Y128-I203 WeakPolarHBondContact O-CA 3.3Å; Y128-I203 WeakPolarHBondContact O-CG2 3.49Å; F196-I203 HydrophobicContact CB-CD1 4.45Å; I203-L205 HydrophobicContact CG2-CD2 3.95Å
204	V	84.9	Confident	72.9	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.5	170.5	174.6	0	0	0	0	110.6	V93 F94 R95 Y128 V131 L175	V93-V204 HydrophobicContact CG1-CG1 3.55Å; F94-V204 CarbonylContact O-C 3.45Å; F94-V204 WeakPolarHBondContact O-CA 3.29Å; R95-V204 HydrophobicContact CB-CG2 4.16Å; R95-V204 HydrophobicContact CG-CG2 3.85Å; Y128-V204 HydrophobicContact CD2-CB 4.38Å; Y128-V204 HydrophobicContact CD2-CG1 4.29Å; Y128-V204 PolarHBondContact N-O 3.37Å; Y128-V204 PolarHBondContact O-N 3.33Å; V131-V204 HydrophobicContact CG2-CB 4.39Å; V131-V204 HydrophobicContact CG2-CG2 3.87Å; L175-V204 HydrophobicContact CD2-CB 4.43Å; L175-V204 HydrophobicContact CD2-CG1 4.04Å
205	L	88.2	Confident	71.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.2	171.4	-39.4	173.1	0	0	0	108.4	F77 V93 F94 F96 I106 F108 L125 D126 V127 I203	F77-L205 HydrophobicContact CD2-CD1 4.41Å; F77-L205 HydrophobicContact CE2-CD1 3.63Å; F77-L205 HydrophobicContact CZ-CD1 3.99Å; V93-L205 CarbonylContact C-O 3.52Å; V93-L205 WeakPolarHBondContact CA-O 3.39Å; F94-L205 HydrophobicContact CB-CB 4.25Å; F94-L205 HydrophobicContact CB-CD1 4.35Å; F94-L205 HydrophobicContact CB-CG 4.44Å; F94-L205 PolarHBondContact N-O 2.86Å; F94-L205 PolarHBondContact O-N 2.85Å; F96-L205 HydrophobicContact CE2-CD1 3.69Å; F96-L205 HydrophobicContact CE2-CG 3.98Å; F96-L205 HydrophobicContact CZ-CD1 4.25Å; I106-L205 HydrophobicContact CD1-CD1 4.4Å; I106-L205 HydrophobicContact CD1-CD2 4.44Å; F108-L205 HydrophobicContact CZ-CD1 4.22Å; L125-L205 HydrophobicContact CD1-CB 4.03Å; D126-L205 CarbonylContact O-C 3.57Å; D126-L205 VanDerWaalsContact O-CA 3.31Å; D126-L205 WeakPolarHBondContact O-CA 3.49Å; V127-L205 HydrophobicContact CB-CD2 4.33Å; V127-L205 HydrophobicContact CG1-CD2 3.88Å; V127-L205 HydrophobicContact CG2-CD2 3.9Å; I203-L205 HydrophobicContact CG2-CD2 3.95Å
206	D	86.8	Confident	69.6	Low	6 Å²	6	60.3 Å²	60.3	3%	0.032	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.1	175.7	-171.6	4.5	0	0	0	109.5	R91 V93 D126 Y128	R91-D206 IonicContact CZ-OD1 3.81Å; R91-D206 IonicContact CZ-OD2 3.41Å; R91-D206 IonicContact NE-OD1 3.91Å; R91-D206 PolarHBondContact NE-OD1 3.34Å; R91-D206 IonicContact NE-OD2 3.89Å; R91-D206 PolarHBondContact NE-OD2 3.13Å; R91-D206 IonicContact NH2-OD1 2.7Å; R91-D206 IonicContact NH2-OD2 2.78Å; R91-D206 PolarHBondContact NH2-OD2 3.03Å; V93-D206 HydrophobicContact CG2-CB 4.38Å; D126-D206 HydrophobicContact CB-CB 4.37Å; D126-D206 PolarHBondContact N-O 2.87Å; D126-D206 PolarHBondContact O-N 3.27Å; Y128-D206 HydrophobicContact CE2-CB 4.45Å
207	F	89.3	Confident	67.6	Low	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.3	177.3	171.5	-126.7	0	0	0	110.1	Y86 T90 R91 C92 L113 F124 L125 F229	Y86-F207 HydrophobicContact CD1-CE1 4.48Å; Y86-F207 AromaticContact CD1-CZ 3.88Å; Y86-F207 HydrophobicContact CD1-CZ 3.88Å; Y86-F207 HydrophobicContact CD2-CE1 4.46Å; Y86-F207 AromaticContact CD2-CZ 3.84Å; Y86-F207 HydrophobicContact CD2-CZ 3.84Å; Y86-F207 HydrophobicContact CE1-CZ 4.02Å; Y86-F207 AromaticContact CE2-CZ 3.99Å; Y86-F207 HydrophobicContact CE2-CZ 3.99Å; Y86-F207 HydrophobicContact CG-CE1 4.2Å; Y86-F207 AromaticContact CG-CZ 3.79Å; Y86-F207 HydrophobicContact CG-CZ 3.79Å; T90-F207 HydrophobicContact CG2-CD1 4.01Å; T90-F207 HydrophobicContact CG2-CE1 3.64Å; R91-F207 CarbonylContact C-O 3.57Å; R91-F207 WeakPolarHBondContact CA-O 3.5Å; R91-F207 WeakPolarHBondContact CG-O 3.28Å; C92-F207 HydrophobicContact CB-CB 4.48Å; C92-F207 HydrophobicContact CB-CD1 4.41Å; C92-F207 PolarHBondContact N-O 2.8Å; C92-F207 PolarHBondContact O-N 2.8Å; L113-F207 HydrophobicContact CD1-CD2 4.04Å; L113-F207 HydrophobicContact CD1-CE2 3.87Å; L113-F207 HydrophobicContact CD2-CD2 4.35Å; L113-F207 HydrophobicContact CD2-CE2 3.57Å; L113-F207 HydrophobicContact CD2-CZ 4.15Å; L113-F207 HydrophobicContact CG-CE2 4.39Å; F124-F207 WeakPolarHBondContact O-CD2 3.03Å; L125-F207 HydrophobicContact CD1-CB 3.73Å; F207-F229 HydrophobicContact CB-CE1 4.16Å; F207-F229 HydrophobicContact CB-CZ 4.11Å; F207-F229 HydrophobicContact CD1-CE1 4.06Å; F207-F229 HydrophobicContact CD1-CZ 4.3Å; F207-F229 AromaticContact CD2-CE1 3.76Å; F207-F229 HydrophobicContact CD2-CE1 3.76Å; F207-F229 HydrophobicContact CE1-CE1 4.44Å; F207-F229 HydrophobicContact CE2-CE1 4.2Å; F207-F229 AromaticContact CG-CE1 3.7Å; F207-F229 HydrophobicContact CG-CE1 3.7Å; F207-F229 HydrophobicContact CG-CZ 4.06Å
208	Y	87	Confident	65.6	Low	80 Å²	80	74.6 Å²	74.6	31%	0.314	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.9	176.5	-179.5	-91.2	0	0	0	111.6	T90 R91 D123 F124 E210	T90-Y208 CarbonylContact O-C 3.54Å; R91-Y208 HydrophobicContact CB-CD2 4.44Å; R91-Y208 HydrophobicContact CG-CD2 4.37Å; D123-Y208 CarbonylContact C-O 3.49Å; D123-Y208 WeakPolarHBondContact CA-O 3.28Å; F124-Y208 HydrophobicContact CD1-CD1 4.01Å; F124-Y208 AromaticContact CE1-CD1 3.35Å; F124-Y208 HydrophobicContact CE1-CD1 3.35Å; F124-Y208 HydrophobicContact CE1-CE1 4.16Å; F124-Y208 AromaticContact CE1-CG 3.88Å; F124-Y208 HydrophobicContact CE1-CG 3.88Å; F124-Y208 HydrophobicContact CE2-CG 4.44Å; F124-Y208 AromaticContact CZ-CD1 3.75Å; F124-Y208 HydrophobicContact CZ-CD1 3.75Å; F124-Y208 AromaticContact CZ-CG 3.77Å; F124-Y208 HydrophobicContact CZ-CG 3.77Å; F124-Y208 PolarHBondContact N-O 2.82Å; F124-Y208 PolarHBondContact O-N 3.47Å; Y208-E210 HydrophobicContact CE1-CB 4.36Å
209	S	83.7	Confident	63.6	Low	0 Å²	0	84.5 Å²	84.5	0%	0	40%	0.4	C	S	.	.			trans	-134.9	138.1	170.5	175.6	0	0	0	0	111.2	Y86 G89 T90 D123	Y86-S209 WeakPolarHBondContact CE2-OG 3.19Å; G89-S209 CarbonylContact C-O 3.57Å; G89-S209 WeakPolarHBondContact CA-O 3.31Å; G89-S209 PolarHBondContact N-O 2.93Å; T90-S209 PolarHBondContact O-N 3.27Å; D123-S209 VanDerWaalsContact CG-OG 3.32Å; D123-S209 WeakPolarHBondContact OD1-CA 3.49Å; D123-S209 WeakPolarHBondContact OD1-CB 3.45Å; D123-S209 PolarHBondContact OD1-OG 3.46Å
210	E	78.6	Confident	62.1	Low	78 Å²	78	88.8 Å²	88.8	36%	0.364	43%	0.427	S	S	.	.			trans	-75	154.2	-175.4	-169.9	164.6	-145.5	0	0	113.1	S88 G89 V122 D123 Y208	S88-E210 CarbonylContact C-O 3.55Å; S88-E210 WeakPolarHBondContact CA-O 3.37Å; S88-E210 VanDerWaalsContact CB-O 3.26Å; S88-E210 WeakPolarHBondContact CB-O 3.28Å; G89-E210 PolarHBondContact N-O 3.46Å; V122-E210 HydrophobicContact CG1-CB 4.13Å; D123-E210 PolarHBondContact OD1-N 3.25Å; D123-E210 VanDerWaalsContact OD1-N 3.13Å; Y208-E210 HydrophobicContact CE1-CB 4.36Å
211	L	65.9	Low	60.6	Low	134 Å²	134	91.1 Å²	91.1	70%	0.702	45%	0.448	S	S	*	.	S	Bend	trans	-83.9	-25.6	-175.8	-85.1	164	0	0	0	114.8
212	E	58.6	Low	58.8	Low	156 Å²	156	89.7 Å²	89.7	73%	0.729	47%	0.467	S	S	*	.			trans	-109	110.4	-173.1	-67	-157.7	140.7	0	0	113.3	V214	E212-V214 HydrophobicContact CB-CG2 4.48Å; E212-V214 PolarHBondContact O-N 3.09Å
213	K	45.6	Very low	57.2	Low	170 Å²	170	97.2 Å²	97.2	74%	0.739	50%	0.5	S	S	*	.			trans	-87.3	95.2	170.1	-82.2	176.3	169.4	144.3	0	111.2	S88	S88-K213 WeakPolarHBondContact OG-CE 3.41Å; S88-K213 PolarHBondContact OG-NZ 3.39Å
214	V	36.5	Very low	55.9	Low	115 Å²	115	103.2 Å²	103.2	70%	0.697	54%	0.539	S	S	*	.			trans	-126.3	141.2	172	-163.4	0	0	0	0	110.3	E212	E212-V214 HydrophobicContact CB-CG2 4.48Å; E212-V214 PolarHBondContact O-N 3.09Å
215	V	35.5	Very low	54.8	Low	121 Å²	121	107.6 Å²	107.6	73%	0.733	57%	0.566	S	S	*	*	S	Bend	trans	79.6	98.8	177.6	-165.1	0	0	0	0	117.2
216	N	34.2	Very low	54.3	Low	127 Å²	127	111.8 Å²	111.8	68%	0.679	59%	0.587	S	S	*	*			trans	42.5	123.4	145.6	-62.1	-15.8	0	0	0	122.1	W218	N216-W218 PolarHBondContact O-N 3.25Å
217	P	33.6	Very low	54.2	Low	94 Å²	94	114.7 Å²	114.7	61%	0.61	60%	0.6	S	S	*	*			trans	-73.9	119.5	161.9	31.4	-32.2	0	0	0	111.3	Y219	P217-Y219 HydrophobicContact CB-CE2 4.48Å; P217-Y219 HydrophobicContact CG-CD2 4.5Å; P217-Y219 HydrophobicContact CG-CE2 3.87Å; P217-Y219 WeakPolarHBondContact O-CD2 2.95Å; P217-Y219 PolarHBondContact O-N 3.49Å
218	W	30.9	Very low	54.1	Low	230 Å²	230	114.7 Å²	114.7	87%	0.871	60%	0.6	S	S	*	*			trans	-78.2	103.8	165.2	-73.4	-20.9	0	0	0	110.2	N216 T220	N216-W218 PolarHBondContact O-N 3.25Å; W218-T220 PolarHBondContact O-N 3.22Å
219	Y	31.1	Very low	54.2	Low	210 Å²	210	110.9 Å²	110.9	82%	0.824	59%	0.585	S	S	*	*			trans	-69.4	87.3	-179	-72.9	-88.2	0	0	0	112.8	P217	P217-Y219 HydrophobicContact CB-CE2 4.48Å; P217-Y219 HydrophobicContact CG-CD2 4.5Å; P217-Y219 HydrophobicContact CG-CE2 3.87Å; P217-Y219 WeakPolarHBondContact O-CD2 2.95Å; P217-Y219 PolarHBondContact O-N 3.49Å
220	T	31.6	Very low	54.6	Low	117 Å²	117	112.6 Å²	112.6	72%	0.718	59%	0.594	S	S	*	*			trans	-100.3	127.7	158.9	47.9	0	0	0	0	110.4	W218 G222	W218-T220 PolarHBondContact O-N 3.22Å; T220-G222 PolarHBondContact O-N 3.03Å
221	T	36.6	Very low	55	Low	141 Å²	141	108.9 Å²	108.9	87%	0.865	58%	0.576	S	S	*	*	S	Bend	trans	63	25.9	166.1	65.7	0	0	0	0	120.3	K223	T221-K223 VanDerWaalsContact C-N 3.34Å; T221-K223 PolarHBondContact O-N 3.3Å
222	G	35.5	Very low	56.2	Low	79 Å²	79	104.9 Å²	104.9	81%	0.814	56%	0.557	S	S	*	*	S	Bend	trans	65.5	18.8	141.4	0	0	0	0	0	118.9	T220	T220-G222 PolarHBondContact O-N 3.03Å
223	K	44.9	Very low	57.6	Low	181 Å²	181	97.7 Å²	97.7	79%	0.787	52%	0.524	S	S	*	.	S	Bend	trans	-125.6	149.4	168.6	-75	-178.4	176.5	179	0	109.8	T221 T225	T221-K223 VanDerWaalsContact C-N 3.34Å; T221-K223 PolarHBondContact O-N 3.3Å; K223-T225 PolarHBondContact O-N 3.12Å
224	P	53.9	Low	59.6	Low	126 Å²	126	93.1 Å²	93.1	82%	0.818	51%	0.505	S	S	*	.			trans	-67.3	123.5	167.3	29.1	-32.6	0	0	0	109.5
225	T	63.1	Low	61.9	Low	95 Å²	95	88.4 Å²	88.4	58%	0.583	48%	0.475	S	S	*	.			trans	-79.9	131.9	170.5	41.5	0	0	0	0	110	K223	K223-T225 PolarHBondContact O-N 3.12Å
226	I	77.6	Confident	63.8	Low	88 Å²	88	84.7 Å²	84.7	45%	0.451	45%	0.451	S	S	.	.			trans	-93.8	109.4	172.6	-60.2	176.3	0	0	0	107	W82 P83	W82-I226 HydrophobicContact CZ3-CG2 4.24Å; P83-I226 WeakPolarHBondContact O-CG2 3.39Å
227	F	84.6	Confident	65.6	Low	67 Å²	67	82.5 Å²	82.5	29%	0.294	44%	0.439	S	S	.	.			trans	-76.6	132.6	172.2	-61.5	-84.5	0	0	0	109.6	S85 Y86 V112	S85-F227 WeakPolarHBondContact CA-O 3.34Å; S85-F227 VanDerWaalsContact CB-O 3.31Å; S85-F227 WeakPolarHBondContact CB-O 3.19Å; S85-F227 PolarHBondContact OG-N 3.42Å; S85-F227 PolarHBondContact OG-O 2.84Å; Y86-F227 HydrophobicContact CD1-CB 4.45Å; Y86-F227 HydrophobicContact CE1-CB 3.61Å; V112-F227 HydrophobicContact CG1-CD1 3.96Å; V112-F227 HydrophobicContact CG1-CE1 4.33Å; V112-F227 CarbonylContact O-C 3.58Å; V112-F227 VanDerWaalsContact O-CA 3.27Å; V112-F227 WeakPolarHBondContact O-CA 3.48Å
228	G	86.9	Confident	67	Low	0 Å²	0	80.8 Å²	80.8	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151	170.7	-178.4	0	0	0	0	0	112.8	S79 H110 V112	S79-G228 VanDerWaalsContact OG-CA 3.32Å; S79-G228 WeakPolarHBondContact OG-CA 3.31Å; H110-G228 PolarHBondContact ND1-O 2.97Å; V112-G228 PolarHBondContact N-O 2.6Å; V112-G228 PolarHBondContact O-N 3.2Å
229	F	90.3	Very high	68.4	Low	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.5	178.7	60.9	-101.7	0	0	0	113.5	F77 T78 S79 F94 F108 H110 F111 L113 L125 F207	F77-F229 HydrophobicContact CD2-CE2 4.23Å; F77-F229 HydrophobicContact CE2-CD2 4.32Å; F77-F229 HydrophobicContact CE2-CE2 4.15Å; T78-F229 WeakPolarHBondContact CA-O 3.46Å; S79-F229 PolarHBondContact N-O 3.21Å; S79-F229 PolarHBondContact OG-N 3.38Å; S79-F229 PolarHBondContact OG-O 3.13Å; F94-F229 AromaticContact CE2-CE2 3.98Å; F94-F229 HydrophobicContact CE2-CE2 3.98Å; F94-F229 AromaticContact CE2-CZ 3.82Å; F94-F229 HydrophobicContact CE2-CZ 3.82Å; F94-F229 HydrophobicContact CZ-CE2 4.05Å; F94-F229 HydrophobicContact CZ-CZ 4.23Å; F108-F229 HydrophobicContact CD1-CB 4.32Å; F108-F229 HydrophobicContact CE1-CB 4.43Å; F108-F229 HydrophobicContact CE1-CD2 4.1Å; F108-F229 HydrophobicContact CE1-CG 4.36Å; H110-F229 CarbonylContact O-C 3.57Å; H110-F229 WeakPolarHBondContact O-CA 3.45Å; H110-F229 VanDerWaalsContact O-CB 3.29Å; H110-F229 WeakPolarHBondContact O-CB 3.28Å; F111-F229 HydrophobicContact CB-CB 4.36Å; F111-F229 HydrophobicContact CD2-CB 3.78Å; F111-F229 HydrophobicContact CD2-CD1 4.33Å; F111-F229 HydrophobicContact CD2-CG 4.28Å; F111-F229 HydrophobicContact CE2-CD1 4.38Å; F111-F229 HydrophobicContact CG-CB 4.46Å; L113-F229 HydrophobicContact CD2-CD1 4.09Å; L125-F229 HydrophobicContact CD1-CE1 4.4Å; L125-F229 HydrophobicContact CD1-CZ 4.32Å; F207-F229 HydrophobicContact CB-CE1 4.16Å; F207-F229 HydrophobicContact CB-CZ 4.11Å; F207-F229 HydrophobicContact CD1-CE1 4.06Å; F207-F229 HydrophobicContact CD1-CZ 4.3Å; F207-F229 AromaticContact CD2-CE1 3.76Å; F207-F229 HydrophobicContact CD2-CE1 3.76Å; F207-F229 HydrophobicContact CE1-CE1 4.44Å; F207-F229 HydrophobicContact CE2-CE1 4.2Å; F207-F229 AromaticContact CG-CE1 3.7Å; F207-F229 HydrophobicContact CG-CE1 3.7Å; F207-F229 HydrophobicContact CG-CZ 4.06Å
230	N	90.4	Very high	69.6	Low	35 Å²	35	69.7 Å²	69.7	19%	0.187	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	133.5	171.9	166.9	69.8	0	0	0	108.5	T78 W82 D109 H110	T78-N230 HydrophobicContact CG2-CB 4.13Å; T78-N230 WeakPolarHBondContact CG2-OD1 3.37Å; W82-N230 HydrophobicContact CD2-CB 4.3Å; W82-N230 HydrophobicContact CG-CB 4.47Å; W82-N230 HydrophobicContact CZ2-CB 4.22Å; D109-N230 PolarHBondContact N-O 2.58Å; H110-N230 HydrophobicContact CB-CB 4.49Å; H110-N230 PolarHBondContact N-O 2.89Å; H110-N230 PolarHBondContact O-N 2.62Å
231	G	87.7	Confident	70.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	164.7	177.6	0	0	0	0	0	113.2	T76 F77 K107	T76-G231 CarbonylContact C-O 3.54Å; T76-G231 VanDerWaalsContact CA-O 3.28Å; T76-G231 WeakPolarHBondContact CA-O 3.41Å; F77-G231 VanDerWaalsContact CD1-O 3.31Å; F77-G231 WeakPolarHBondContact CD1-O 3.33Å; F77-G231 VanDerWaalsContact CE1-C 3.41Å; F77-G231 VanDerWaalsContact CE1-CA 3.47Å; F77-G231 PolarHBondContact N-O 2.89Å; F77-G231 PolarHBondContact O-N 2.68Å; K107-G231 CarbonylContact O-C 3.56Å; K107-G231 WeakPolarHBondContact O-CA 3.38Å
232	T	90.5	Very high	71.7	Confident	50 Å²	50	61 Å²	61	31%	0.307	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.7	174.9	28.7	0	0	0	0	109.5	G75 T76 K107 D109	G75-T232 WeakPolarHBondContact O-CA 3.39Å; T76-T232 HydrophobicContact CG2-CG2 3.83Å; K107-T232 PolarHBondContact N-O 2.87Å; K107-T232 PolarHBondContact O-N 2.84Å; D109-T232 PolarHBondContact OD2-OG1 3.14Å
233	F	89	Confident	72.8	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.022	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148	172.3	72.3	-92.7	0	0	0	110.7	Y30 L41 L46 Q74 G75 F77 F96 H105 I106 F235	Y30-F233 AromaticContact CD2-CE1 3.95Å; Y30-F233 HydrophobicContact CD2-CE1 3.95Å; Y30-F233 HydrophobicContact CD2-CZ 4.17Å; Y30-F233 HydrophobicContact CE2-CE1 4.21Å; Y30-F233 AromaticContact CE2-CZ 3.97Å; Y30-F233 HydrophobicContact CE2-CZ 3.97Å; L41-F233 HydrophobicContact CD1-CD1 4.37Å; L41-F233 HydrophobicContact CD1-CE1 3.92Å; L41-F233 HydrophobicContact CD1-CZ 4.12Å; L41-F233 HydrophobicContact CD2-CE1 4.43Å; L41-F233 HydrophobicContact CD2-CZ 4.02Å; L46-F233 HydrophobicContact CD1-CE2 4.27Å; Q74-F233 CarbonylContact C-O 3.39Å; Q74-F233 VanDerWaalsContact CA-O 3.22Å; Q74-F233 WeakPolarHBondContact CA-O 3.47Å; Q74-F233 WeakPolarHBondContact CB-O 3.22Å; G75-F233 VanDerWaalsContact C-CD1 3.48Å; G75-F233 VanDerWaalsContact C-CE1 3.4Å; G75-F233 PolarHBondContact N-O 2.85Å; G75-F233 WeakPolarHBondContact O-CD1 3.26Å; G75-F233 PolarHBondContact O-N 3.24Å; F77-F233 HydrophobicContact CD1-CD1 4.21Å; F96-F233 HydrophobicContact CD1-CB 4.01Å; F96-F233 HydrophobicContact CD1-CD1 4.38Å; F96-F233 HydrophobicContact CD1-CD2 4.15Å; F96-F233 AromaticContact CD1-CG 3.93Å; F96-F233 HydrophobicContact CD1-CG 3.93Å; F96-F233 HydrophobicContact CE1-CB 3.66Å; F96-F233 AromaticContact CE1-CD1 3.68Å; F96-F233 HydrophobicContact CE1-CD1 3.68Å; F96-F233 HydrophobicContact CE1-CD2 4.24Å; F96-F233 HydrophobicContact CE1-CE1 4.35Å; F96-F233 AromaticContact CE1-CG 3.6Å; F96-F233 HydrophobicContact CE1-CG 3.6Å; H105-F233 VanDerWaalsContact O-CA 3.3Å; H105-F233 WeakPolarHBondContact O-CA 3.4Å; I106-F233 HydrophobicContact CG1-CB 4.41Å; F233-F235 HydrophobicContact CD2-CE2 4.07Å; F233-F235 HydrophobicContact CE2-CD2 4.49Å; F233-F235 AromaticContact CE2-CE2 3.83Å; F233-F235 HydrophobicContact CE2-CE2 3.83Å; F233-F235 HydrophobicContact CE2-CZ 4.5Å
234	E	86.3	Confident	73.6	Confident	74 Å²	74	52.3 Å²	52.3	35%	0.346	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.6	172.3	63.3	-177.8	162.7	0	0	111.3	K73 Q74 H105 I236	K73-E234 WeakPolarHBondContact O-CA 3.42Å; Q74-E234 HydrophobicContact CB-CB 4.02Å; H105-E234 HydrophobicContact CB-CG 3.9Å; H105-E234 IonicContact CE1-OE1 2.67Å; H105-E234 IonicContact CG-OE1 3.56Å; H105-E234 PolarHBondContact N-O 2.84Å; H105-E234 IonicContact ND1-OE1 3.96Å; H105-E234 PolarHBondContact ND1-OE1 3.04Å; H105-E234 PolarHBondContact O-N 2.74Å; E234-I236 HydrophobicContact CG-CD1 4.12Å; E234-I236 HydrophobicContact CG-CG1 3.78Å
235	F	85.5	Confident	74.3	Confident	16 Å²	16	51.9 Å²	51.9	7%	0.07	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107	171.8	-62.9	-75.4	0	0	0	109.4	L46 K73 I97 A98 K103 V104 F233	L46-F235 HydrophobicContact CD1-CD2 4.08Å; L46-F235 HydrophobicContact CD1-CE2 3.58Å; K73-F235 HydrophobicContact CB-CB 4.01Å; K73-F235 HydrophobicContact CB-CD2 4.09Å; K73-F235 HydrophobicContact CD-CB 4.37Å; K73-F235 PolarHBondContact O-N 2.71Å; I97-F235 VanDerWaalsContact C-CE1 3.48Å; I97-F235 WeakPolarHBondContact O-CE1 3.47Å; A98-F235 HydrophobicContact CB-CD1 3.7Å; A98-F235 HydrophobicContact CB-CE1 4.1Å; K103-F235 CarbonylContact O-C 3.55Å; K103-F235 VanDerWaalsContact O-CA 3.3Å; K103-F235 WeakPolarHBondContact O-CA 3.36Å; V104-F235 HydrophobicContact CG1-CE1 4.41Å; V104-F235 HydrophobicContact CG2-CD1 4.24Å; V104-F235 HydrophobicContact CG2-CE1 3.92Å; F233-F235 HydrophobicContact CD2-CE2 4.07Å; F233-F235 HydrophobicContact CE2-CD2 4.49Å; F233-F235 AromaticContact CE2-CE2 3.83Å; F233-F235 HydrophobicContact CE2-CE2 3.83Å; F233-F235 HydrophobicContact CE2-CZ 4.5Å
236	I	75.6	Confident	74.4	Confident	44 Å²	44	50.7 Å²	50.7	23%	0.226	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	141.9	-175.8	-47.3	-175.6	0	0	0	109.4	E102 K103 H105 E234 A240	E102-I236 CarbonylContact C-O 3.51Å; E102-I236 WeakPolarHBondContact CA-O 3.48Å; K103-I236 PolarHBondContact N-O 2.94Å; K103-I236 PolarHBondContact O-N 3.49Å; H105-I236 HydrophobicContact CB-CD1 3.48Å; H105-I236 VanDerWaalsContact CB-CD1 3.48Å; H105-I236 HydrophobicContact CB-CG1 3.99Å; E234-I236 HydrophobicContact CG-CD1 4.12Å; E234-I236 HydrophobicContact CG-CG1 3.78Å; I236-A240 HydrophobicContact CG2-CB 3.74Å
237	N	71.4	Confident	73.9	Confident	80 Å²	80	47.2 Å²	47.2	43%	0.428	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.5	169.1	176.8	-10.3	0	0	0	110.8	G101 D239 A240	G101-N237 WeakPolarHBondContact O-CA 3.46Å; G101-N237 PolarHBondContact O-OD1 3.34Å; N237-D239 PolarHBondContact ND2-OD2 3.33Å; N237-D239 PolarHBondContact O-N 3.34Å; N237-D239 VanDerWaalsContact O-N 3.14Å; N237-D239 PolarHBondContact OD1-N 2.88Å; N237-D239 PolarHBondContact OD1-OD2 2.83Å; N237-A240 WeakPolarHBondContact O-CB 3.23Å; N237-A240 PolarHBondContact O-N 2.98Å
238	D	64	Low	73	Confident	58 Å²	58	46.3 Å²	46.3	31%	0.31	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-47.4	-37.7	175.5	-77.2	-43	0	0	0	113.8	G101 E102 K103 A240 F241	G101-D238 WeakPolarHBondContact CA-OD2 3.3Å; G101-D238 PolarHBondContact O-N 3.21Å; E102-D238 PolarHBondContact N-OD2 3.32Å; K103-D238 VanDerWaalsContact CD-OD1 3.25Å; K103-D238 WeakPolarHBondContact CD-OD1 3.44Å; K103-D238 WeakPolarHBondContact CE-OD1 3.32Å; K103-D238 VanDerWaalsContact CG-OD1 3.26Å; K103-D238 WeakPolarHBondContact CG-OD1 3.39Å; K103-D238 IonicContact NZ-OD1 2.76Å; D238-A240 PolarHBondContact O-N 2.78Å; D238-F241 PolarHBondContact O-N 3.08Å
239	D	59.8	Low	72	Confident	135 Å²	135	48.9 Å²	48.9	72%	0.722	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-54.4	-20.1	178.9	-68.2	-34.1	0	0	0	114.1	N237	N237-D239 PolarHBondContact ND2-OD2 3.33Å; N237-D239 PolarHBondContact O-N 3.34Å; N237-D239 VanDerWaalsContact O-N 3.14Å; N237-D239 PolarHBondContact OD1-N 2.88Å; N237-D239 PolarHBondContact OD1-OD2 2.83Å
240	A	56.3	Low	70.8	Confident	73 Å²	73	54.2 Å²	54.2	60%	0.603	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-85.9	-16.1	-172.1	0	0	0	0	0	114.7	I236 N237 D238	I236-A240 HydrophobicContact CG2-CB 3.74Å; N237-A240 WeakPolarHBondContact O-CB 3.23Å; N237-A240 PolarHBondContact O-N 2.98Å; D238-A240 PolarHBondContact O-N 2.78Å
241	F	54.5	Low	69.7	Low	58 Å²	58	56.2 Å²	56.2	25%	0.254	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-22.9	-169.5	-143.1	-92.5	0	0	0	114.8	I197 D238 I307	I197-F241 HydrophobicContact CD1-CD2 4.23Å; I197-F241 HydrophobicContact CD1-CE1 3.96Å; I197-F241 HydrophobicContact CD1-CE2 3.57Å; I197-F241 HydrophobicContact CD1-CZ 3.41Å; I197-F241 VanDerWaalsContact CD1-CZ 3.41Å; D238-F241 PolarHBondContact O-N 3.08Å; F241-I307 HydrophobicContact CE1-CG2 4.09Å
242	Y	59	Low	68.9	Low	16 Å²	16	56.5 Å²	56.5	6%	0.063	34%	0.338	C	S	.	.	S	Bend	trans	-125.6	113	176.3	-57.3	-92.9	0	0	0	109.1	K103 F280 P309	K103-Y242 HydrophobicContact CD-CE2 4.17Å; Y242-F280 HydrophobicContact CD1-CD1 4.45Å; Y242-F280 HydrophobicContact CD1-CD2 4.34Å; Y242-F280 AromaticContact CD1-CE1 3.76Å; Y242-F280 HydrophobicContact CD1-CE1 3.76Å; Y242-F280 AromaticContact CD1-CE2 3.61Å; Y242-F280 HydrophobicContact CD1-CE2 3.61Å; Y242-F280 AromaticContact CD1-CZ 3.27Å; Y242-F280 HydrophobicContact CD1-CZ 3.27Å; Y242-F280 HydrophobicContact CD2-CE1 4.28Å; Y242-F280 HydrophobicContact CD2-CZ 4.19Å; Y242-F280 HydrophobicContact CE1-CE1 4.49Å; Y242-F280 AromaticContact CE1-CE2 3.86Å; Y242-F280 HydrophobicContact CE1-CE2 3.86Å; Y242-F280 AromaticContact CE1-CZ 3.62Å; Y242-F280 HydrophobicContact CE1-CZ 3.62Å; Y242-F280 HydrophobicContact CG-CD1 4.4Å; Y242-F280 AromaticContact CG-CE1 3.62Å; Y242-F280 HydrophobicContact CG-CE1 3.62Å; Y242-F280 HydrophobicContact CG-CE2 4.34Å; Y242-F280 AromaticContact CG-CZ 3.58Å; Y242-F280 HydrophobicContact CG-CZ 3.58Å; Y242-P309 HydrophobicContact CE1-CB 4.39Å; Y242-P309 HydrophobicContact CE1-CG 4.34Å; Y242-P309 WeakPolarHBondContact OH-CA 3.44Å; Y242-P309 VanDerWaalsContact OH-CB 3.27Å; Y242-P309 WeakPolarHBondContact OH-CB 3.17Å; Y242-P309 PolarHBondContact OH-O 3.02Å
243	P	58.5	Low	67.8	Low	35 Å²	35	60.4 Å²	60.4	23%	0.227	35%	0.348	C	S	.	.			trans	-65.2	140.2	166.9	27.3	-32.5	0	0	0	109.8	I282 E305 L306 Y430	P243-I282 HydrophobicContact CB-CD1 4.21Å; P243-I282 HydrophobicContact CB-CG1 4.3Å; P243-I282 HydrophobicContact CG-CD1 3.88Å; P243-I282 HydrophobicContact CG-CG1 4.48Å; P243-I282 WeakPolarHBondContact O-CD1 3.47Å; P243-I282 WeakPolarHBondContact O-CG1 3.37Å; P243-E305 WeakPolarHBondContact CG-O 3.41Å; P243-L306 HydrophobicContact CG-CD1 4.11Å; P243-Y430 WeakPolarHBondContact CB-OH 3.35Å; P243-Y430 HydrophobicContact CG-CE1 4.06Å
244	G	61.9	Low	66.8	Low	43 Å²	43	60.6 Å²	60.6	44%	0.443	35%	0.349	S	S	.	.	S	Bend	trans	99.8	167.6	174.4	0	0	0	0	0	114.9	R281	G244-R281 CarbonylContact C-O 3.54Å; G244-R281 WeakPolarHBondContact CA-O 3.4Å
245	K	66.8	Low	65.7	Low	117 Å²	117	57.9 Å²	57.9	51%	0.509	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.1	178.2	-169	-156.2	170.4	-173.1	0	109.1	V247 E251 F280 R281	K245-V247 VanDerWaalsContact O-CG2 3.3Å; K245-V247 WeakPolarHBondContact O-CG2 3.23Å; K245-E251 IonicContact NZ-OE1 2.65Å; K245-E251 PolarHBondContact NZ-OE1 2.84Å; K245-F280 CarbonylContact O-C 3.5Å; K245-F280 WeakPolarHBondContact O-CA 3.37Å; K245-R281 PolarHBondContact N-O 3.44Å; K245-R281 PolarHBondContact O-N 2.74Å
246	A	65.1	Low	64.6	Low	70 Å²	70	60.4 Å²	60.4	58%	0.579	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	138.9	163.8	0	0	0	0	0	110.3	F280	A246-F280 HydrophobicContact CB-CD1 4.48Å; A246-F280 HydrophobicContact CB-CE1 4.47Å
247	V	68.7	Low	63.7	Low	15 Å²	15	61 Å²	61	9%	0.091	35%	0.351	C	S	.	.			trans	-125.1	139.2	-165	-172.4	0	0	0	0	111.1	K245 E251 L252 R279 R281	K245-V247 VanDerWaalsContact O-CG2 3.3Å; K245-V247 WeakPolarHBondContact O-CG2 3.23Å; V247-E251 HydrophobicContact CG1-CB 3.32Å; V247-E251 HydrophobicContact CG1-CG 4.39Å; V247-L252 HydrophobicContact CG1-CB 3.7Å; V247-R279 HydrophobicContact CB-CB 4.28Å; V247-R279 PolarHBondContact N-O 3.5Å; V247-R279 WeakPolarHBondContact O-CB 3.49Å; V247-R281 HydrophobicContact CG2-CB 3.64Å
248	S	64.5	Low	62.6	Low	49 Å²	49	63.2 Å²	63.2	34%	0.343	36%	0.362	S	S	.	.			trans	-78.5	155.7	175.1	60.5	0	0	0	0	112.6	S250 E251 L252	S248-S250 PolarHBondContact O-N 2.93Å; S248-S250 PolarHBondContact OG-OG 3.13Å; S248-E251 WeakPolarHBondContact CB-OE2 3.24Å; S248-E251 PolarHBondContact N-OE2 3.29Å; S248-E251 PolarHBondContact O-N 2.82Å; S248-E251 WeakPolarHBondContact OG-CG 3.44Å; S248-E251 PolarHBondContact OG-OE2 3.24Å; S248-L252 PolarHBondContact O-N 2.87Å; S248-L252 VanDerWaalsContact O-N 3.14Å
249	S	65.8	Low	61.7	Low	54 Å²	54	65.6 Å²	65.6	38%	0.378	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.5	179.8	-46.8	0	0	0	0	114.2	L252 Y253 S276 R279	S249-L252 CarbonylContact O-C 3.58Å; S249-Y253 WeakPolarHBondContact O-CA 3.38Å; S249-S276 PolarHBondContact OG-OG 3.44Å; S249-R279 PolarHBondContact OG-NE 2.78Å; S249-R279 PolarHBondContact OG-NH2 2.78Å
250	S	65.4	Low	61.2	Low	111 Å²	111	63.5 Å²	63.5	78%	0.776	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-24	172.9	46.2	0	0	0	0	113.9	S248	S248-S250 PolarHBondContact O-N 2.93Å; S248-S250 PolarHBondContact OG-OG 3.13Å
251	E	67.1	Low	60.3	Low	78 Å²	78	63.7 Å²	63.7	36%	0.364	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.6	173.8	-74.8	169.6	109.4	0	0	112.9	K245 V247 S248 R281	K245-E251 IonicContact NZ-OE1 2.65Å; K245-E251 PolarHBondContact NZ-OE1 2.84Å; V247-E251 HydrophobicContact CG1-CB 3.32Å; V247-E251 HydrophobicContact CG1-CG 4.39Å; S248-E251 WeakPolarHBondContact CB-OE2 3.24Å; S248-E251 PolarHBondContact N-OE2 3.29Å; S248-E251 PolarHBondContact O-N 2.82Å; S248-E251 WeakPolarHBondContact OG-CG 3.44Å; S248-E251 PolarHBondContact OG-OE2 3.24Å; E251-R281 PolarHBondContact O-NH2 3.41Å
252	L	70.5	Confident	59.3	Low	6 Å²	6	65.4 Å²	65.4	3%	0.031	37%	0.372	C	S	.	.	S	Bend	trans	-149.7	89.5	176.1	179.1	58.3	0	0	0	110.3	V247 S248 S249 R279 V322 Q324	V247-L252 HydrophobicContact CG1-CB 3.7Å; S248-L252 PolarHBondContact O-N 2.87Å; S248-L252 VanDerWaalsContact O-N 3.14Å; S249-L252 CarbonylContact O-C 3.58Å; L252-R279 PolarHBondContact O-NH1 3.36Å; L252-V322 HydrophobicContact CD2-CG1 3.97Å; L252-Q324 HydrophobicContact CD2-CB 4.11Å
253	Y	68.4	Low	58.2	Low	132 Å²	132	70 Å²	70	52%	0.518	41%	0.406	S	S	.	.			trans	-84.4	142.1	-177.3	168.2	-109.5	0	0	0	112.7	S249 P255 Q361	S249-Y253 WeakPolarHBondContact O-CA 3.38Å; Y253-P255 HydrophobicContact CE1-CB 3.79Å; Y253-Q361 PolarHBondContact O-NE2 2.84Å
254	I	67.7	Low	57.1	Low	8 Å²	8	73 Å²	73	4%	0.041	42%	0.424	C	S	.	.			trans	-118.8	123.7	177	-57	159.5	0	0	0	107.4	F256 R279 L320 V322	I254-F256 PolarHBondContact O-N 3.09Å; I254-R279 VanDerWaalsContact CD1-NH1 3.32Å; I254-L320 HydrophobicContact CD1-CD2 4.16Å; I254-L320 HydrophobicContact CD1-CG 4.34Å; I254-V322 HydrophobicContact CD1-CB 4.21Å; I254-V322 HydrophobicContact CD1-CG2 3.36Å; I254-V322 HydrophobicContact CG1-CG2 3.95Å
255	P	63.2	Low	55.5	Low	18 Å²	18	74.7 Å²	74.7	12%	0.117	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.1	-170.3	35.3	-37.7	0	0	0	115.5	Y253 I362 N364	Y253-P255 HydrophobicContact CE1-CB 3.79Å; P255-I362 WeakPolarHBondContact CD-O 3.33Å; P255-N364 HydrophobicContact CB-CB 4.16Å; P255-N364 VanDerWaalsContact CB-CG 3.49Å; P255-N364 WeakPolarHBondContact CB-OD1 3.42Å; P255-N364 HydrophobicContact CG-CB 4.19Å; P255-N364 VanDerWaalsContact CG-OD1 3.28Å; P255-N364 WeakPolarHBondContact CG-OD1 3.33Å
256	F	63.3	Low	53.9	Low	68 Å²	68	76.4 Å²	76.4	30%	0.298	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	12.1	-179.6	-69.6	-77.7	0	0	0	114	I254 D258 D259 I260 N364 I367	I254-F256 PolarHBondContact O-N 3.09Å; F256-D258 VanDerWaalsContact C-N 3.26Å; F256-D258 PolarHBondContact O-N 3.21Å; F256-D259 PolarHBondContact O-N 3.38Å; F256-I260 WeakPolarHBondContact O-CG1 3.26Å; F256-I260 PolarHBondContact O-N 2.94Å; F256-N364 WeakPolarHBondContact CE2-OD1 3.38Å; F256-N364 WeakPolarHBondContact CZ-OD1 3.29Å; F256-I367 HydrophobicContact CE2-CD1 3.78Å; F256-I367 HydrophobicContact CE2-CG1 3.53Å; F256-I367 HydrophobicContact CZ-CD1 3.61Å; F256-I367 HydrophobicContact CZ-CG1 3.84Å
257	E	56.7	Low	52.1	Low	57 Å²	57	78.2 Å²	78.2	27%	0.266	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36	-173	-145.8	156.6	135	0	0	112.3	S276 R279 L320	E257-S276 WeakPolarHBondContact OE1-CB 3.14Å; E257-R279 IonicContact OE1-NH2 2.76Å; E257-R279 PolarHBondContact OE1-NH2 3.26Å; E257-R279 IonicContact OE2-CZ 3.14Å; E257-R279 IonicContact OE2-NH1 2.76Å; E257-R279 IonicContact OE2-NH2 2.7Å; E257-R279 PolarHBondContact OE2-NH2 3.2Å; E257-L320 HydrophobicContact CG-CD2 4.09Å
258	D	47.3	Very low	50.3	Low	126 Å²	126	83.5 Å²	83.5	67%	0.674	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-45.1	177.8	-56.3	-61.7	0	0	0	113	F256 I260 T261	F256-D258 VanDerWaalsContact C-N 3.26Å; F256-D258 PolarHBondContact O-N 3.21Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 3.35Å; D258-T261 WeakPolarHBondContact O-CB 3.21Å; D258-T261 PolarHBondContact O-N 2.84Å; D258-T261 VanDerWaalsContact O-N 3.08Å; D258-T261 PolarHBondContact O-OG1 2.84Å
259	D	45.8	Very low	48.6	Very low	109 Å²	109	86.3 Å²	86.3	58%	0.583	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-68	-21.7	-171.9	-96.3	-16.3	0	0	0	114.3	F256 T261 T262	F256-D259 PolarHBondContact O-N 3.38Å; D259-T261 PolarHBondContact O-N 3.38Å; D259-T262 PolarHBondContact O-OG1 3.4Å
260	I	48.2	Very low	46.8	Very low	91 Å²	91	88.2 Å²	88.2	47%	0.467	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-65.7	-19.8	174.9	-67.3	166.7	0	0	0	111.1	F256 D258	F256-I260 WeakPolarHBondContact O-CG1 3.26Å; F256-I260 PolarHBondContact O-N 2.94Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 3.35Å
261	T	38.3	Very low	45.2	Very low	76 Å²	76	88.7 Å²	88.7	47%	0.466	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-94	-13	-172.3	73.5	0	0	0	0	115.1	D258 D259 I273	D258-T261 WeakPolarHBondContact O-CB 3.21Å; D258-T261 PolarHBondContact O-N 2.84Å; D258-T261 VanDerWaalsContact O-N 3.08Å; D258-T261 PolarHBondContact O-OG1 2.84Å; D259-T261 PolarHBondContact O-N 3.38Å; T261-I273 HydrophobicContact CG2-CD1 3.86Å
262	T	33	Very low	43.3	Very low	94 Å²	94	89.1 Å²	89.1	58%	0.577	57%	0.566	S	S	*	*			trans	-101.8	4.9	-161.4	55.7	0	0	0	0	115.6	D259 T264	D259-T262 PolarHBondContact O-OG1 3.4Å; T262-T264 VanDerWaalsContact C-N 3.31Å; T262-T264 PolarHBondContact O-N 2.82Å; T262-T264 VanDerWaalsContact O-N 3.15Å
263	S	35	Very low	41.6	Very low	112 Å²	112	94.7 Å²	94.7	78%	0.783	60%	0.595	S	S	*	*			trans	-82.6	20.3	-169.3	64.7	0	0	0	0	117.1
264	T	35.5	Very low	39.9	Very low	99 Å²	99	94 Å²	94	61%	0.607	61%	0.605	S	S	*	*	S	Bend	trans	-129.4	104.8	167.9	43.9	0	0	0	0	112.1	T262 N266	T262-T264 VanDerWaalsContact C-N 3.31Å; T262-T264 PolarHBondContact O-N 2.82Å; T262-T264 VanDerWaalsContact O-N 3.15Å; T264-N266 PolarHBondContact O-N 2.79Å
265	G	28.5	Very low	38.7	Very low	79 Å²	79	98.3 Å²	98.3	81%	0.814	64%	0.636	S	S	*	*			trans	-72.8	95.7	177.5	0	0	0	0	0	113.4
266	N	33.6	Very low	38	Very low	153 Å²	153	98.7 Å²	98.7	82%	0.818	64%	0.639	S	S	*	*			trans	-160.3	116	148.2	-100.9	-32	0	0	0	110.5	T264 T268	T264-N266 PolarHBondContact O-N 2.79Å; N266-T268 PolarHBondContact O-N 3.37Å
267	A	27.7	Very low	38	Very low	108 Å²	108	97.2 Å²	97.2	89%	0.893	63%	0.634	S	S	*	*			trans	-85.6	73.5	-167	0	0	0	0	0	113.9
268	T	30.2	Very low	38.6	Very low	125 Å²	125	95.9 Å²	95.9	77%	0.767	63%	0.63	S	S	*	*	S	Bend	trans	-142.9	107.4	164.9	50.7	0	0	0	0	112.2	N266	N266-T268 PolarHBondContact O-N 3.37Å
269	A	29.2	Very low	39.9	Very low	109 Å²	109	90.4 Å²	90.4	90%	0.901	60%	0.6	S	S	*	*			trans	49.7	69.4	159.7	0	0	0	0	0	117.8
270	A	27.7	Very low	41.5	Very low	94 Å²	94	86.3 Å²	86.3	78%	0.777	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-91.2	136.8	155.1	0	0	0	0	0	109.9
271	P	31.2	Very low	43.1	Very low	120 Å²	120	84.5 Å²	84.5	78%	0.779	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-71.3	148.1	172.2	31	-34	0	0	0	110.7	I273	P271-I273 PolarHBondContact O-N 3.25Å
272	A	28.2	Very low	45.3	Very low	87 Å²	87	81 Å²	81	72%	0.719	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-66.5	129.3	179.7	0	0	0	0	0	111.4	T274	A272-T274 PolarHBondContact O-N 2.79Å; A272-T274 VanDerWaalsContact O-N 3.16Å
273	I	34.6	Very low	47.8	Very low	124 Å²	124	79.4 Å²	79.4	64%	0.636	53%	0.529	S	S	*	.			trans	-74.6	103	172.3	-64.6	169.1	0	0	0	107.5	T261 P271	T261-I273 HydrophobicContact CG2-CD1 3.86Å; P271-I273 PolarHBondContact O-N 3.25Å
274	T	32.6	Very low	50	Low	116 Å²	116	74.2 Å²	74.2	71%	0.712	49%	0.493	S	S	*	.			trans	-89.2	133.2	-179.6	48.3	0	0	0	0	111.5	A272	A272-T274 PolarHBondContact O-N 2.79Å; A272-T274 VanDerWaalsContact O-N 3.16Å
275	S	42.6	Very low	51.7	Low	99 Å²	99	74.7 Å²	74.7	69%	0.692	49%	0.492	S	S	*	.	S	Bend	trans	62.4	122.9	174.2	51	0	0	0	0	117.7
276	S	48.7	Very low	53.4	Low	26 Å²	26	77.7 Å²	77.7	18%	0.182	48%	0.484	C	S	.	.			trans	-54.8	145.3	163.5	58	0	0	0	0	113.4	S249 E257 R279	S249-S276 PolarHBondContact OG-OG 3.44Å; E257-S276 WeakPolarHBondContact OE1-CB 3.14Å; S276-R279 PolarHBondContact OG-NE 2.78Å; S276-R279 VanDerWaalsContact OG-NE 3.15Å; S276-R279 PolarHBondContact OG-NH2 2.82Å
277	N	62.4	Low	54.8	Low	38 Å²	38	73.6 Å²	73.6	20%	0.203	46%	0.462	C	S	.	.			trans	-77.1	167.6	167.2	-64.2	-66.7	0	0	0	112.1	L319 L320	N277-L319 HydrophobicContact CB-CD1 3.71Å; N277-L320 CarbonylContact C-O 3.54Å; N277-L320 VanDerWaalsContact C-O 3.31Å; N277-L320 WeakPolarHBondContact CB-O 3.3Å
278	C	70.3	Confident	56.1	Low	28 Å²	28	71.3 Å²	71.3	19%	0.189	44%	0.436	C	S	.	.			trans	27.2	95.8	157.8	38.2	0	0	0	0	119.7	F280 P309 L320 C321 V322	C278-F280 HydrophobicContact CB-CE2 3.77Å; C278-P309 HydrophobicContact CB-CG 4.45Å; C278-L320 PolarHBondContact SG-O 3.2Å; C278-C321 HydrophobicContact CB-CB 3.7Å; C278-C321 WeakPolarHBondContact CB-SG 3.41Å; C278-C321 CarbonylContact O-C 3.52Å; C278-C321 WeakPolarHBondContact O-CA 3.41Å; C278-C321 WeakPolarHBondContact SG-CA 3.41Å; C278-C321 WeakPolarHBondContact SG-CB 3.31Å; C278-C321 CovalentContact SG-SG 2.03Å; C278-C321 PolarHBondContact SG-SG 2.76Å; C278-V322 PolarHBondContact O-N 3.43Å
279	R	75.6	Confident	56.8	Low	12 Å²	12	74 Å²	74	5%	0.045	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.4	167.6	-56.9	-177.4	-160.4	-120.7	-2.5	112.2	V247 S249 L252 I254 E257 S276 V322	V247-R279 HydrophobicContact CB-CB 4.28Å; V247-R279 PolarHBondContact N-O 3.5Å; V247-R279 WeakPolarHBondContact O-CB 3.49Å; S249-R279 PolarHBondContact OG-NE 2.78Å; S249-R279 PolarHBondContact OG-NH2 2.78Å; L252-R279 PolarHBondContact O-NH1 3.36Å; I254-R279 VanDerWaalsContact CD1-NH1 3.32Å; E257-R279 IonicContact OE1-NH2 2.76Å; E257-R279 PolarHBondContact OE1-NH2 3.26Å; E257-R279 IonicContact OE2-CZ 3.14Å; E257-R279 IonicContact OE2-NH1 2.76Å; E257-R279 IonicContact OE2-NH2 2.7Å; E257-R279 PolarHBondContact OE2-NH2 3.2Å; S276-R279 PolarHBondContact OG-NE 2.78Å; S276-R279 VanDerWaalsContact OG-NE 3.15Å; S276-R279 PolarHBondContact OG-NH2 2.82Å; R279-V322 WeakPolarHBondContact CA-O 3.45Å
280	F	78.6	Confident	57.3	Low	22 Å²	22	74.8 Å²	74.8	10%	0.096	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149	-174.8	-58.6	-84.9	0	0	0	113.4	Y242 K245 A246 C278 V322 Y323 Q324	Y242-F280 HydrophobicContact CD1-CD1 4.45Å; Y242-F280 HydrophobicContact CD1-CD2 4.34Å; Y242-F280 AromaticContact CD1-CE1 3.76Å; Y242-F280 HydrophobicContact CD1-CE1 3.76Å; Y242-F280 AromaticContact CD1-CE2 3.61Å; Y242-F280 HydrophobicContact CD1-CE2 3.61Å; Y242-F280 AromaticContact CD1-CZ 3.27Å; Y242-F280 HydrophobicContact CD1-CZ 3.27Å; Y242-F280 HydrophobicContact CD2-CE1 4.28Å; Y242-F280 HydrophobicContact CD2-CZ 4.19Å; Y242-F280 HydrophobicContact CE1-CE1 4.49Å; Y242-F280 AromaticContact CE1-CE2 3.86Å; Y242-F280 HydrophobicContact CE1-CE2 3.86Å; Y242-F280 AromaticContact CE1-CZ 3.62Å; Y242-F280 HydrophobicContact CE1-CZ 3.62Å; Y242-F280 HydrophobicContact CG-CD1 4.4Å; Y242-F280 AromaticContact CG-CE1 3.62Å; Y242-F280 HydrophobicContact CG-CE1 3.62Å; Y242-F280 HydrophobicContact CG-CE2 4.34Å; Y242-F280 AromaticContact CG-CZ 3.58Å; Y242-F280 HydrophobicContact CG-CZ 3.58Å; K245-F280 CarbonylContact O-C 3.5Å; K245-F280 WeakPolarHBondContact O-CA 3.37Å; A246-F280 HydrophobicContact CB-CD1 4.48Å; A246-F280 HydrophobicContact CB-CE1 4.47Å; C278-F280 HydrophobicContact CB-CE2 3.77Å; F280-V322 PolarHBondContact N-O 3.47Å; F280-Y323 HydrophobicContact CB-CD1 3.92Å; F280-Y323 AromaticContact CD2-CD1 3.58Å; F280-Y323 HydrophobicContact CD2-CD1 3.58Å; F280-Y323 AromaticContact CD2-CE1 3.44Å; F280-Y323 HydrophobicContact CD2-CE1 3.44Å; F280-Y323 VanDerWaalsContact CD2-CE1 3.44Å; F280-Y323 HydrophobicContact CE2-CD1 4.48Å; F280-Y323 AromaticContact CE2-CE1 3.9Å; F280-Y323 HydrophobicContact CE2-CE1 3.9Å; F280-Y323 HydrophobicContact CG-CD1 4.1Å; F280-Y323 HydrophobicContact CG-CE1 4.28Å; F280-Y323 WeakPolarHBondContact O-CA 3.2Å; F280-Q324 PolarHBondContact O-N 3.43Å
281	R	81.7	Confident	57.8	Low	53 Å²	53	77.3 Å²	77.3	20%	0.2	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.7	173	-179.5	-177	-61	163.1	2.8	112.2	G244 K245 V247 E251 E283 Q324 I326	G244-R281 CarbonylContact C-O 3.54Å; G244-R281 WeakPolarHBondContact CA-O 3.4Å; K245-R281 PolarHBondContact N-O 3.44Å; K245-R281 PolarHBondContact O-N 2.74Å; V247-R281 HydrophobicContact CG2-CB 3.64Å; E251-R281 PolarHBondContact O-NH2 3.41Å; R281-E283 WeakPolarHBondContact CD-OE1 3.38Å; R281-E283 HydrophobicContact CG-CG 3.87Å; R281-Q324 CarbonylContact C-O 3.51Å; R281-Q324 WeakPolarHBondContact CA-O 3.28Å; R281-Q324 HydrophobicContact CB-CB 4.36Å; R281-Q324 HydrophobicContact CG-CB 4.34Å; R281-Q324 HydrophobicContact CG-CG 4.47Å; R281-Q324 VanDerWaalsContact CZ-OE1 3.27Å; R281-I326 HydrophobicContact CG-CD1 4.25Å
282	I	85.3	Confident	58.2	Low	2 Å²	2	77.4 Å²	77.4	1%	0.01	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.4	-179.5	-63.7	157.1	0	0	0	108	P243 I287 L306 Q324 L325 I326 Y430 F432	P243-I282 HydrophobicContact CB-CD1 4.21Å; P243-I282 HydrophobicContact CB-CG1 4.3Å; P243-I282 HydrophobicContact CG-CD1 3.88Å; P243-I282 HydrophobicContact CG-CG1 4.48Å; P243-I282 WeakPolarHBondContact O-CD1 3.47Å; P243-I282 WeakPolarHBondContact O-CG1 3.37Å; I282-I287 HydrophobicContact CG2-CD1 4.05Å; I282-L306 HydrophobicContact CD1-CD1 4.12Å; I282-Q324 PolarHBondContact N-O 2.84Å; I282-L325 HydrophobicContact CB-CD2 3.77Å; I282-L325 HydrophobicContact CD1-CD2 3.47Å; I282-L325 VanDerWaalsContact CD1-CD2 3.47Å; I282-L325 HydrophobicContact CG1-CD2 4.17Å; I282-L325 HydrophobicContact CG2-CD2 4.22Å; I282-I326 PolarHBondContact O-N 2.84Å; I282-Y430 HydrophobicContact CD1-CE1 4.17Å; I282-Y430 HydrophobicContact CG2-CE2 4.03Å; I282-F432 HydrophobicContact CG2-CE2 4.34Å; I282-F432 HydrophobicContact CG2-CZ 4.26Å
283	E	83.9	Confident	58.9	Low	62 Å²	62	81.2 Å²	81.2	29%	0.29	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.9	179.8	-53.3	-171.1	-156.5	0	0	109.5	R281 D285 H286 I326	R281-E283 WeakPolarHBondContact CD-OE1 3.38Å; R281-E283 HydrophobicContact CG-CG 3.87Å; E283-D285 VanDerWaalsContact C-N 3.27Å; E283-D285 PolarHBondContact O-N 3Å; E283-H286 PolarHBondContact O-N 3.34Å; E283-H286 VanDerWaalsContact O-N 3.16Å; E283-I326 WeakPolarHBondContact CA-O 3.3Å; E283-I326 HydrophobicContact CG-CB 4.33Å; E283-I326 HydrophobicContact CG-CD1 4.33Å
284	A	80.9	Confident	59.1	Low	3 Å²	3	78.3 Å²	78.3	3%	0.025	44%	0.441	C	S	.	.	H	α-helix	trans	-59.3	-36.3	-174.7	0	0	0	0	0	113.1	H286 I287 I302 I326 F432	A284-H286 VanDerWaalsContact C-N 3.33Å; A284-H286 PolarHBondContact O-N 2.71Å; A284-I287 PolarHBondContact O-N 2.76Å; A284-I302 HydrophobicContact CB-CD1 4.33Å; A284-I326 PolarHBondContact N-O 3.4Å; A284-F432 HydrophobicContact CB-CD1 4.41Å; A284-F432 HydrophobicContact CB-CD2 3.92Å; A284-F432 HydrophobicContact CB-CE2 4.11Å; A284-F432 HydrophobicContact CB-CG 4.08Å; A284-F432 HydrophobicContact CB-CZ 4.45Å
285	D	72	Confident	59.2	Low	108 Å²	108	78.7 Å²	78.7	58%	0.578	44%	0.439	S	S	*	.	H	α-helix	trans	-60.7	-39.7	178.1	-166.6	49.1	0	0	0	112.1	E283 I287 V288	E283-D285 VanDerWaalsContact C-N 3.27Å; E283-D285 PolarHBondContact O-N 3Å; D285-I287 VanDerWaalsContact C-N 3.29Å; D285-I287 PolarHBondContact O-N 3.09Å; D285-V288 PolarHBondContact O-N 2.85Å
286	H	64.9	Low	59.1	Low	142 Å²	142	82.5 Å²	82.5	66%	0.657	45%	0.448	S	S	*	.	H	α-helix	trans	-73.7	-14.5	178.9	-70.4	-16.4	0	0	0	114.5	E283 A284 V288	E283-H286 PolarHBondContact O-N 3.34Å; E283-H286 VanDerWaalsContact O-N 3.16Å; A284-H286 VanDerWaalsContact C-N 3.33Å; A284-H286 PolarHBondContact O-N 2.71Å; H286-V288 VanDerWaalsContact C-N 3.32Å
287	I	62.3	Low	58.8	Low	68 Å²	68	86.7 Å²	86.7	35%	0.349	47%	0.472	S	S	.	.	H	α-helix	trans	-77.7	-23	173.3	-59	173	0	0	0	110.6	I282 A284 D285 K289 I302 Y430 F432	I282-I287 HydrophobicContact CG2-CD1 4.05Å; A284-I287 PolarHBondContact O-N 2.76Å; D285-I287 VanDerWaalsContact C-N 3.29Å; D285-I287 PolarHBondContact O-N 3.09Å; I287-K289 PolarHBondContact O-N 3.44Å; I287-I302 HydrophobicContact CB-CG2 4Å; I287-I302 HydrophobicContact CD1-CG2 3.81Å; I287-I302 HydrophobicContact CG2-CG2 3.7Å; I287-Y430 HydrophobicContact CD1-CE2 4.22Å; I287-F432 HydrophobicContact CD1-CE2 4.13Å
288	V	54.1	Low	57.9	Low	59 Å²	59	93.9 Å²	93.9	36%	0.358	50%	0.502	S	S	.	.			trans	-79.1	84.6	-178.1	-168.4	0	0	0	0	111.1	D285 H286 P290 L299 I302	D285-V288 PolarHBondContact O-N 2.85Å; H286-V288 VanDerWaalsContact C-N 3.32Å; V288-P290 WeakPolarHBondContact O-CD 3.46Å; V288-L299 HydrophobicContact CB-CD2 4.34Å; V288-L299 HydrophobicContact CG1-CD2 3.64Å; V288-L299 HydrophobicContact CG2-CD2 3.71Å; V288-I302 HydrophobicContact CG2-CD1 3.91Å
289	K	46.2	Very low	57.1	Low	182 Å²	182	97 Å²	97	79%	0.791	52%	0.516	S	S	*	.			trans	-56.1	124.3	170.8	-73.3	-175.9	177.9	176.7	0	109.9	I287 N291	I287-K289 PolarHBondContact O-N 3.44Å; K289-N291 PolarHBondContact O-N 3.45Å
290	P	39.4	Very low	56.6	Low	125 Å²	125	99.6 Å²	99.6	81%	0.812	53%	0.531	S	S	*	.			trans	-76.8	68.1	-176.3	31.8	-36.6	0	0	0	111.4	V288 V292	V288-P290 WeakPolarHBondContact O-CD 3.46Å; P290-V292 PolarHBondContact O-N 2.92Å
291	N	38.9	Very low	56.4	Low	147 Å²	147	102.1 Å²	102.1	79%	0.786	54%	0.543	S	S	*	.			trans	-80.7	103.3	179.9	-128.5	16.5	0	0	0	109.4	K289 N293	K289-N291 PolarHBondContact O-N 3.45Å; N291-N293 PolarHBondContact O-N 3.14Å
292	V	39.9	Very low	56.4	Low	123 Å²	123	100.4 Å²	100.4	75%	0.745	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	133.8	-178	177.2	0	0	0	0	111.1	P290	P290-V292 PolarHBondContact O-N 2.92Å
293	N	41	Very low	56.4	Low	167 Å²	167	103.7 Å²	103.7	89%	0.893	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.7	41.1	178.1	-51.9	-25.3	0	0	0	117	N291	N291-N293 PolarHBondContact O-N 3.14Å
294	G	40.6	Very low	56.3	Low	63 Å²	63	101.6 Å²	101.6	65%	0.649	56%	0.556	S	S	*	*			trans	-105.6	146.8	163.9	0	0	0	0	0	113.1	M296	G294-M296 PolarHBondContact O-N 3.19Å
295	D	33.2	Very low	56.3	Low	123 Å²	123	105.1 Å²	105.1	66%	0.658	57%	0.572	S	S	*	*			trans	-66.1	121.2	177.2	-172.8	-26.4	0	0	0	111.4	T297	D295-T297 VanDerWaalsContact CG-OG1 3.23Å; D295-T297 PolarHBondContact O-N 2.98Å; D295-T297 WeakPolarHBondContact OD1-CB 3.45Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.47Å; D295-T297 PolarHBondContact OD1-N 3.19Å; D295-T297 PolarHBondContact OD1-OG1 3.05Å; D295-T297 PolarHBondContact OD2-OG1 3.4Å
296	M	40.4	Very low	56.8	Low	180 Å²	180	100 Å²	100	89%	0.887	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	0.2	-173	-164.2	151.1	60.3	0	0	113.9	G294 K298	G294-M296 PolarHBondContact O-N 3.19Å; M296-K298 VanDerWaalsContact C-N 3.32Å
297	T	42.7	Very low	57.6	Low	113 Å²	113	94.9 Å²	94.9	69%	0.693	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.3	176.3	58.7	0	0	0	0	114.6	D295	D295-T297 VanDerWaalsContact CG-OG1 3.23Å; D295-T297 PolarHBondContact O-N 2.98Å; D295-T297 WeakPolarHBondContact OD1-CB 3.45Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.47Å; D295-T297 PolarHBondContact OD1-N 3.19Å; D295-T297 PolarHBondContact OD1-OG1 3.05Å; D295-T297 PolarHBondContact OD2-OG1 3.4Å
298	K	43	Very low	58.3	Low	190 Å²	190	91.6 Å²	91.6	83%	0.826	51%	0.505	S	S	*	.	S	Bend	trans	-104.7	19	-168.8	-148.9	-176.7	178.2	-179.8	0	115.7	M296	M296-K298 VanDerWaalsContact C-N 3.32Å
299	L	55.3	Low	58.8	Low	92 Å²	92	88.9 Å²	88.9	48%	0.482	49%	0.488	S	S	.	.			trans	-120.3	26.9	-169.3	-138.9	82	0	0	0	115.4	V288 E301	V288-L299 HydrophobicContact CB-CD2 4.34Å; V288-L299 HydrophobicContact CG1-CD2 3.64Å; V288-L299 HydrophobicContact CG2-CD2 3.71Å; L299-E301 VanDerWaalsContact C-N 3.28Å; L299-E301 PolarHBondContact O-N 2.63Å
300	D	64.6	Low	59.6	Low	68 Å²	68	81 Å²	81	36%	0.364	46%	0.455	S	S	.	.	S	Bend	trans	-69.7	-19.8	-175.8	-87.8	-1.3	0	0	0	115.1	K434	D300-K434 WeakPolarHBondContact OD1-CE 3.49Å; D300-K434 IonicContact OD1-NZ 3.24Å; D300-K434 PolarHBondContact OD1-NZ 3.41Å; D300-K434 WeakPolarHBondContact OD2-CE 3.45Å; D300-K434 IonicContact OD2-NZ 3.06Å; D300-K434 PolarHBondContact OD2-NZ 2.89Å
301	E	73.6	Confident	60.9	Low	75 Å²	75	76.5 Å²	76.5	35%	0.35	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132.8	-178	-58.1	-172.9	132.3	0	0	110.3	L299 T431 F432 T433 R435	L299-E301 VanDerWaalsContact C-N 3.28Å; L299-E301 PolarHBondContact O-N 2.63Å; E301-T431 HydrophobicContact CB-CG2 4.34Å; E301-F432 WeakPolarHBondContact CA-O 3.21Å; E301-T433 WeakPolarHBondContact CG-OG1 3.31Å; E301-T433 WeakPolarHBondContact OE1-CB 3.24Å; E301-T433 PolarHBondContact OE1-OG1 2.87Å; E301-R435 WeakPolarHBondContact OE1-CD 3.34Å; E301-R435 IonicContact OE1-CZ 2.69Å; E301-R435 IonicContact OE1-NE 2.6Å; E301-R435 IonicContact OE1-NH1 2.77Å; E301-R435 PolarHBondContact OE1-NH1 2.71Å; E301-R435 IonicContact OE2-CZ 3.07Å; E301-R435 IonicContact OE2-NH1 2.64Å; E301-R435 PolarHBondContact OE2-NH1 2.94Å; E301-R435 IonicContact OE2-NH2 2.78Å; E301-R435 PolarHBondContact OE2-NH2 3.22Å
302	I	82.2	Confident	62	Low	17 Å²	17	73.3 Å²	73.3	9%	0.087	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.8	179.6	-61.4	174	0	0	0	107.9	A284 I287 V288 T431 F432	A284-I302 HydrophobicContact CB-CD1 4.33Å; I287-I302 HydrophobicContact CB-CG2 4Å; I287-I302 HydrophobicContact CD1-CG2 3.81Å; I287-I302 HydrophobicContact CG2-CG2 3.7Å; V288-I302 HydrophobicContact CG2-CD1 3.91Å; I302-T431 CarbonylContact O-C 3.52Å; I302-T431 WeakPolarHBondContact O-CA 3.35Å; I302-F432 HydrophobicContact CB-CB 4.4Å; I302-F432 HydrophobicContact CB-CD2 4.15Å; I302-F432 HydrophobicContact CG2-CD2 4.13Å; I302-F432 PolarHBondContact N-O 3.45Å; I302-F432 WeakPolarHBondContact O-CD2 3.45Å; I302-F432 PolarHBondContact O-N 3.38Å
303	S	84.7	Confident	62.8	Low	70 Å²	70	67.8 Å²	67.8	49%	0.49	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	154.4	-175.8	-53.7	0	0	0	0	112.6	Y430 T431	S303-Y430 CarbonylContact C-O 3.5Å; S303-Y430 VanDerWaalsContact CA-O 3.22Å; S303-Y430 WeakPolarHBondContact CA-O 3.46Å; S303-T431 WeakPolarHBondContact CB-OG1 3.48Å; S303-T431 WeakPolarHBondContact OG-CG2 3.33Å; S303-T431 PolarHBondContact OG-OG1 2.91Å
304	G	81.7	Confident	63.7	Low	19 Å²	19	62.9 Å²	62.9	20%	0.196	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	177.8	170.3	0	0	0	0	0	111.9	R429 Y430	G304-R429 CarbonylContact O-C 3.59Å; G304-R429 WeakPolarHBondContact O-CA 3.16Å; G304-R429 WeakPolarHBondContact O-CG 3.37Å; G304-Y430 VanDerWaalsContact C-CE1 3.47Å; G304-Y430 PolarHBondContact N-O 2.89Å; G304-Y430 WeakPolarHBondContact O-CD1 3.02Å; G304-Y430 PolarHBondContact O-N 2.8Å
305	E	82	Confident	64.9	Low	76 Å²	76	60.5 Å²	60.5	36%	0.355	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.2	177.7	-66.4	-169.9	-171.8	0	0	111	P243 R427 L428 R429	P243-E305 WeakPolarHBondContact CG-O 3.41Å; E305-R427 IonicContact OE1-CZ 3.5Å; E305-R427 IonicContact OE1-NH2 3.21Å; E305-R427 PolarHBondContact OE1-NH2 3.47Å; E305-R427 IonicContact OE2-CZ 3.64Å; E305-R427 IonicContact OE2-NE 2.56Å; E305-R427 PolarHBondContact OE2-NE 2.79Å; E305-R427 IonicContact OE2-NH2 2.9Å; E305-R427 PolarHBondContact OE2-NH2 2.8Å; E305-L428 CarbonylContact C-O 3.53Å; E305-L428 WeakPolarHBondContact CA-O 3.39Å; E305-R429 HydrophobicContact CG-CB 4.37Å; E305-R429 HydrophobicContact CG-CG 4.48Å
306	L	82.5	Confident	66.3	Low	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137	177.1	-172.6	74.9	0	0	0	109.8	P243 I282 Y323 I394 F426 L428 Y430	P243-L306 HydrophobicContact CG-CD1 4.11Å; I282-L306 HydrophobicContact CD1-CD1 4.12Å; L306-Y323 HydrophobicContact CD1-CD1 3.58Å; L306-Y323 HydrophobicContact CD1-CE1 3.76Å; L306-Y323 HydrophobicContact CD1-CG 4.32Å; L306-Y323 HydrophobicContact CD2-CD1 3.75Å; L306-Y323 HydrophobicContact CD2-CD2 3.99Å; L306-Y323 HydrophobicContact CD2-CE1 4.17Å; L306-Y323 HydrophobicContact CD2-CE2 4.41Å; L306-Y323 HydrophobicContact CD2-CG 3.62Å; L306-Y323 HydrophobicContact CG-CD1 4.11Å; L306-Y323 HydrophobicContact CG-CE1 4.2Å; L306-Y323 HydrophobicContact CG-CG 4.47Å; L306-I394 HydrophobicContact CD2-CD1 4.05Å; L306-F426 HydrophobicContact CD2-CE2 4.34Å; L306-F426 HydrophobicContact CG-CE2 4.45Å; L306-L428 HydrophobicContact CB-CD1 3.71Å; L306-L428 HydrophobicContact CB-CG 4.02Å; L306-L428 HydrophobicContact CD2-CD1 4.3Å; L306-L428 HydrophobicContact CD2-CD2 4.43Å; L306-L428 HydrophobicContact CD2-CG 4.49Å; L306-L428 PolarHBondContact N-O 2.89Å; L306-L428 PolarHBondContact O-N 2.83Å; L306-Y430 HydrophobicContact CB-CD1 4.45Å
307	I	80.6	Confident	67.6	Low	34 Å²	34	50.3 Å²	50.3	17%	0.174	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.4	-170.1	-62	-178.4	0	0	0	108.3	F241 Y311 R427	F241-I307 HydrophobicContact CE1-CG2 4.09Å; I307-Y311 HydrophobicContact CG2-CD1 3.53Å; I307-Y311 HydrophobicContact CG2-CG 3.84Å; I307-R427 HydrophobicContact CG1-CG 4.21Å
308	S	77.3	Confident	68.8	Low	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.			trans	-66.1	150.6	173.9	59.3	0	0	0	0	111.2	T310 Y311 G425 F426	S308-T310 PolarHBondContact O-N 2.96Å; S308-Y311 PolarHBondContact O-N 2.96Å; S308-Y311 VanDerWaalsContact OG-CB 3.31Å; S308-Y311 WeakPolarHBondContact OG-CB 3.4Å; S308-G425 WeakPolarHBondContact OG-CA 3.27Å; S308-F426 PolarHBondContact N-O 3.36Å; S308-F426 PolarHBondContact OG-N 2.97Å; S308-F426 PolarHBondContact OG-O 3.38Å
309	P	65.2	Low	70.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-20	-160	-31.5	38.8	0	0	0	118.5	L199 Y242 C278 L319 C321	L199-P309 HydrophobicContact CD2-CB 3.73Å; Y242-P309 HydrophobicContact CE1-CB 4.39Å; Y242-P309 HydrophobicContact CE1-CG 4.34Å; Y242-P309 WeakPolarHBondContact OH-CA 3.44Å; Y242-P309 VanDerWaalsContact OH-CB 3.27Å; Y242-P309 WeakPolarHBondContact OH-CB 3.17Å; Y242-P309 PolarHBondContact OH-O 3.02Å; C278-P309 HydrophobicContact CB-CG 4.45Å; P309-L319 HydrophobicContact CG-CD2 4.19Å; P309-C321 WeakPolarHBondContact CG-SG 3.38Å
310	T	62.3	Low	71.2	Confident	16 Å²	16	35.9 Å²	35.9	10%	0.098	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-0.1	-175.6	57.4	0	0	0	0	113.5	I129 S308 P312 G313 Y314 H315	I129-T310 HydrophobicContact CD1-CG2 4.36Å; S308-T310 PolarHBondContact O-N 2.96Å; T310-P312 CarbonylContact O-C 3.58Å; T310-G313 CarbonylContact C-O 3.59Å; T310-G313 WeakPolarHBondContact CB-O 3.09Å; T310-G313 CarbonylContact O-C 3.57Å; T310-G313 VanDerWaalsContact O-C 3.28Å; T310-G313 WeakPolarHBondContact O-CA 3.03Å; T310-G313 PolarHBondContact O-N 2.91Å; T310-G313 PolarHBondContact OG1-O 3.05Å; T310-Y314 WeakPolarHBondContact CB-O 3.4Å; T310-Y314 WeakPolarHBondContact CG2-O 3.37Å; T310-Y314 VanDerWaalsContact OG1-C 3.28Å; T310-Y314 PolarHBondContact OG1-O 3.01Å; T310-H315 VanDerWaalsContact OG1-CA 3.23Å; T310-H315 WeakPolarHBondContact OG1-CA 3.27Å; T310-H315 PolarHBondContact OG1-N 2.71Å; T310-H315 VanDerWaalsContact OG1-N 3.09Å
311	Y	66.7	Low	72	Confident	31 Å²	31	32.6 Å²	32.6	12%	0.122	18%	0.18	C	C	.	.			trans	-69.5	137.7	-174.3	169.3	-68.9	0	0	0	111.4	I307 S308 D339 R424 R427	I307-Y311 HydrophobicContact CG2-CD1 3.53Å; I307-Y311 HydrophobicContact CG2-CG 3.84Å; S308-Y311 PolarHBondContact O-N 2.96Å; S308-Y311 VanDerWaalsContact OG-CB 3.31Å; S308-Y311 WeakPolarHBondContact OG-CB 3.4Å; Y311-D339 HydrophobicContact CE2-CB 4.25Å; Y311-D339 WeakPolarHBondContact CE2-OD2 3.38Å; Y311-D339 PolarHBondContact OH-OD2 2.88Å; Y311-D339 VanDerWaalsContact OH-OD2 3.12Å; Y311-R424 WeakPolarHBondContact CA-O 3.36Å; Y311-R424 WeakPolarHBondContact CB-O 3.18Å; Y311-R424 HydrophobicContact CD2-CB 4.44Å; Y311-R424 WeakPolarHBondContact CD2-O 3.39Å; Y311-R427 HydrophobicContact CD2-CB 4.43Å; Y311-R427 HydrophobicContact CE1-CB 4.01Å; Y311-R427 HydrophobicContact CE2-CB 3.89Å
312	P	62.1	Low	72.5	Confident	80 Å²	80	29.1 Å²	29.1	52%	0.519	16%	0.164	S	C	.	.	S	Bend	cis	-88.5	92.6	0.7	33.9	-32.7	0	0	0	111.8	T310	T310-P312 CarbonylContact O-C 3.58Å
313	G	56.4	Low	72.7	Confident	8 Å²	8	28.3 Å²	28.3	8%	0.082	16%	0.16	C	C	.	.	S	Bend	trans	174.9	167.7	-166.3	0	0	0	0	0	113.6	T310 H315 R423 R424	T310-G313 CarbonylContact C-O 3.59Å; T310-G313 WeakPolarHBondContact CB-O 3.09Å; T310-G313 CarbonylContact O-C 3.57Å; T310-G313 VanDerWaalsContact O-C 3.28Å; T310-G313 WeakPolarHBondContact O-CA 3.03Å; T310-G313 PolarHBondContact O-N 2.91Å; T310-G313 PolarHBondContact OG1-O 3.05Å; G313-H315 PolarHBondContact O-N 2.9Å; G313-R423 CarbonylContact C-O 3.29Å; G313-R424 PolarHBondContact N-O 2.97Å
314	Y	61.2	Low	72.9	Confident	64 Å²	64	25.5 Å²	25.5	25%	0.251	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-65.2	116.8	-164.9	-71.4	-79.4	0	0	0	113.4	Y188 T310 R423	Y188-Y314 PolarHBondContact OH-OH 3.11Å; Y188-Y314 VanDerWaalsContact OH-OH 3.04Å; T310-Y314 WeakPolarHBondContact CB-O 3.4Å; T310-Y314 WeakPolarHBondContact CG2-O 3.37Å; T310-Y314 VanDerWaalsContact OG1-C 3.28Å; T310-Y314 PolarHBondContact OG1-O 3.01Å; Y314-R423 HydrophobicContact CD1-CB 4.2Å; Y314-R423 HydrophobicContact CE1-CB 4.36Å
315	H	65.1	Low	73.3	Confident	12 Å²	12	24.6 Å²	24.6	6%	0.056	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-72.5	142.6	167.4	56	-109.1	0	0	0	110.7	T310 G313 L319 D352 T398	T310-H315 VanDerWaalsContact OG1-CA 3.23Å; T310-H315 WeakPolarHBondContact OG1-CA 3.27Å; T310-H315 PolarHBondContact OG1-N 2.71Å; T310-H315 VanDerWaalsContact OG1-N 3.09Å; G313-H315 PolarHBondContact O-N 2.9Å; H315-L319 HydrophobicContact CB-CD2 4.37Å; H315-D352 IonicContact CD2-OD2 2.89Å; H315-D352 IonicContact CE1-OD2 2.64Å; H315-D352 IonicContact NE2-OD2 3.02Å; H315-D352 PolarHBondContact NE2-OD2 2.76Å; H315-T398 HydrophobicContact CB-CG2 4.34Å; H315-T398 WeakPolarHBondContact CD2-CG2 3.49Å
316	P	63.4	Low	73.7	Confident	20 Å²	20	22.5 Å²	22.5	13%	0.13	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-67.4	164.8	172.3	32.5	-38.4	0	0	0	111	I129 L199 L319 T398	I129-P316 HydrophobicContact CD1-CB 4.47Å; I129-P316 HydrophobicContact CD1-CG 4.34Å; L199-P316 HydrophobicContact CD1-CG 3.99Å; P316-L319 HydrophobicContact CG-CB 4.22Å; P316-L319 HydrophobicContact CG-CD1 3.97Å; P316-L319 HydrophobicContact CG-CG 4.48Å; P316-T398 PolarHBondContact O-OG1 3.24Å
317	N	65.8	Low	73.9	Confident	69 Å²	69	22.9 Å²	22.9	37%	0.369	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	157.8	167.7	-57.2	-81.4	0	0	0	110.2	L319	N317-L319 PolarHBondContact O-N 2.94Å; N317-L319 VanDerWaalsContact O-N 3.16Å
318	N	68.3	Low	74.2	Confident	73 Å²	73	25.1 Å²	25.1	39%	0.39	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	24.7	174.6	-52.9	-18.1	0	0	0	114.2	T398 Q400	N318-T398 WeakPolarHBondContact CA-O 3.31Å; N318-T398 PolarHBondContact N-O 3Å; N318-T398 VanDerWaalsContact N-O 3.11Å; N318-T398 PolarHBondContact N-OG1 2.03Å; N318-Q400 PolarHBondContact OD1-N 2.83Å
319	L	72.3	Confident	74.5	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.171	C	C	.	.			trans	-75.1	133.6	172.6	-167.7	73.6	0	0	0	109.1	N277 P309 H315 P316 N317 F396 V397 T398	N277-L319 HydrophobicContact CB-CD1 3.71Å; P309-L319 HydrophobicContact CG-CD2 4.19Å; H315-L319 HydrophobicContact CB-CD2 4.37Å; P316-L319 HydrophobicContact CG-CB 4.22Å; P316-L319 HydrophobicContact CG-CD1 3.97Å; P316-L319 HydrophobicContact CG-CG 4.48Å; N317-L319 PolarHBondContact O-N 2.94Å; N317-L319 VanDerWaalsContact O-N 3.16Å; L319-F396 HydrophobicContact CD2-CD1 4.12Å; L319-F396 HydrophobicContact CD2-CE1 3.71Å; L319-V397 CarbonylContact O-C 3.52Å; L319-V397 WeakPolarHBondContact O-CA 3.44Å; L319-T398 HydrophobicContact CB-CG2 3.9Å; L319-T398 VanDerWaalsContact CB-OG1 3.28Å; L319-T398 WeakPolarHBondContact CB-OG1 3.04Å; L319-T398 HydrophobicContact CD2-CG2 4.42Å; L319-T398 PolarHBondContact N-OG1 3.12Å; L319-T398 PolarHBondContact O-N 3.12Å
320	L	77.2	Confident	75.2	Confident	18 Å²	18	40.5 Å²	40.5	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	107.7	173.6	171.4	64	0	0	0	106.5	I254 E257 N277 C278 L395 F396 V397	I254-L320 HydrophobicContact CD1-CD2 4.16Å; I254-L320 HydrophobicContact CD1-CG 4.34Å; E257-L320 HydrophobicContact CG-CD2 4.09Å; N277-L320 CarbonylContact C-O 3.54Å; N277-L320 VanDerWaalsContact C-O 3.31Å; N277-L320 WeakPolarHBondContact CB-O 3.3Å; C278-L320 PolarHBondContact SG-O 3.2Å; L320-L395 HydrophobicContact CD1-CD1 3.52Å; L320-F396 WeakPolarHBondContact CA-O 3.22Å; L320-V397 HydrophobicContact CD1-CG2 3.92Å
321	C	81.2	Confident	76.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.5	173.7	-55.9	0	0	0	0	111.7	C278 P309 Y323 F396	C278-C321 HydrophobicContact CB-CB 3.7Å; C278-C321 WeakPolarHBondContact CB-SG 3.41Å; C278-C321 CarbonylContact O-C 3.52Å; C278-C321 WeakPolarHBondContact O-CA 3.41Å; C278-C321 WeakPolarHBondContact SG-CA 3.41Å; C278-C321 WeakPolarHBondContact SG-CB 3.31Å; C278-C321 CovalentContact SG-SG 2.03Å; C278-C321 PolarHBondContact SG-SG 2.76Å; P309-C321 WeakPolarHBondContact CG-SG 3.38Å; C321-Y323 HydrophobicContact CB-CE2 3.7Å; C321-F396 HydrophobicContact CB-CB 4.27Å; C321-F396 HydrophobicContact CB-CD1 4.34Å; C321-F396 PolarHBondContact N-O 2.94Å; C321-F396 PolarHBondContact O-N 2.61Å
322	V	84.3	Confident	77.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.7	171.6	179.9	0	0	0	0	111.8	L252 I254 C278 R279 F280 V393 I394 L395	L252-V322 HydrophobicContact CD2-CG1 3.97Å; I254-V322 HydrophobicContact CD1-CB 4.21Å; I254-V322 HydrophobicContact CD1-CG2 3.36Å; I254-V322 HydrophobicContact CG1-CG2 3.95Å; C278-V322 PolarHBondContact O-N 3.43Å; R279-V322 WeakPolarHBondContact CA-O 3.45Å; F280-V322 PolarHBondContact N-O 3.47Å; V322-V393 HydrophobicContact CG1-CG1 3.51Å; V322-I394 WeakPolarHBondContact CA-O 3.41Å; V322-L395 HydrophobicContact CG2-CD1 3.62Å
323	Y	86.9	Confident	78.9	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.2	-180	-47.7	-96.8	0	0	0	109.5	F280 L306 C321 I394 F426	F280-Y323 HydrophobicContact CB-CD1 3.92Å; F280-Y323 AromaticContact CD2-CD1 3.58Å; F280-Y323 HydrophobicContact CD2-CD1 3.58Å; F280-Y323 AromaticContact CD2-CE1 3.44Å; F280-Y323 HydrophobicContact CD2-CE1 3.44Å; F280-Y323 VanDerWaalsContact CD2-CE1 3.44Å; F280-Y323 HydrophobicContact CE2-CD1 4.48Å; F280-Y323 AromaticContact CE2-CE1 3.9Å; F280-Y323 HydrophobicContact CE2-CE1 3.9Å; F280-Y323 HydrophobicContact CG-CD1 4.1Å; F280-Y323 HydrophobicContact CG-CE1 4.28Å; F280-Y323 WeakPolarHBondContact O-CA 3.2Å; L306-Y323 HydrophobicContact CD1-CD1 3.58Å; L306-Y323 HydrophobicContact CD1-CE1 3.76Å; L306-Y323 HydrophobicContact CD1-CG 4.32Å; L306-Y323 HydrophobicContact CD2-CD1 3.75Å; L306-Y323 HydrophobicContact CD2-CD2 3.99Å; L306-Y323 HydrophobicContact CD2-CE1 4.17Å; L306-Y323 HydrophobicContact CD2-CE2 4.41Å; L306-Y323 HydrophobicContact CD2-CG 3.62Å; L306-Y323 HydrophobicContact CG-CD1 4.11Å; L306-Y323 HydrophobicContact CG-CE1 4.2Å; L306-Y323 HydrophobicContact CG-CG 4.47Å; C321-Y323 HydrophobicContact CB-CE2 3.7Å; Y323-I394 HydrophobicContact CD2-CB 4.41Å; Y323-I394 PolarHBondContact N-O 2.97Å; Y323-I394 PolarHBondContact O-N 3.42Å; Y323-F426 AromaticContact CE2-CZ 3.88Å; Y323-F426 HydrophobicContact CE2-CZ 3.88Å
324	Q	88.2	Confident	80.6	Confident	11 Å²	11	35.9 Å²	35.9	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.3	-177.3	-173.5	-179	17.9	0	0	109.7	L252 F280 R281 I282 I326 F360 V393	L252-Q324 HydrophobicContact CD2-CB 4.11Å; F280-Q324 PolarHBondContact O-N 3.43Å; R281-Q324 CarbonylContact C-O 3.51Å; R281-Q324 WeakPolarHBondContact CA-O 3.28Å; R281-Q324 HydrophobicContact CB-CB 4.36Å; R281-Q324 HydrophobicContact CG-CB 4.34Å; R281-Q324 HydrophobicContact CG-CG 4.47Å; R281-Q324 VanDerWaalsContact CZ-OE1 3.27Å; I282-Q324 PolarHBondContact N-O 2.84Å; Q324-I326 HydrophobicContact CG-CD1 4.34Å; Q324-I326 HydrophobicContact CG-CG1 4.27Å; Q324-F360 PolarHBondContact NE2-O 2.81Å; Q324-V393 HydrophobicContact CG-CG2 4.31Å
325	L	90.6	Very high	82	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.9	178.4	-54.9	-173.4	0	0	0	110.1	I282 I333 L335 S391 L392 I394 Y430 F432	I282-L325 HydrophobicContact CB-CD2 3.77Å; I282-L325 HydrophobicContact CD1-CD2 3.47Å; I282-L325 VanDerWaalsContact CD1-CD2 3.47Å; I282-L325 HydrophobicContact CG1-CD2 4.17Å; I282-L325 HydrophobicContact CG2-CD2 4.22Å; L325-I333 HydrophobicContact CB-CD1 3.86Å; L325-I333 HydrophobicContact CD1-CG2 3.96Å; L325-L335 HydrophobicContact CD1-CD2 3.75Å; L325-S391 WeakPolarHBondContact O-CA 3.46Å; L325-L392 HydrophobicContact CB-CB 4.44Å; L325-L392 HydrophobicContact CD1-CD2 4.35Å; L325-L392 PolarHBondContact N-O 2.85Å; L325-L392 PolarHBondContact O-N 2.95Å; L325-I394 HydrophobicContact CD1-CD1 4.1Å; L325-I394 HydrophobicContact CG-CD1 4.46Å; L325-Y430 HydrophobicContact CD1-CG 4.4Å; L325-F432 HydrophobicContact CB-CE1 4.31Å; L325-F432 HydrophobicContact CB-CZ 4.34Å
326	I	90.3	Very high	83.2	Confident	31 Å²	31	33.9 Å²	33.9	16%	0.159	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	112.8	-179	-53.8	-179.4	0	0	0	109.7	R281 I282 E283 A284 Q324 F360 F432	R281-I326 HydrophobicContact CG-CD1 4.25Å; I282-I326 PolarHBondContact O-N 2.84Å; E283-I326 WeakPolarHBondContact CA-O 3.3Å; E283-I326 HydrophobicContact CG-CB 4.33Å; E283-I326 HydrophobicContact CG-CD1 4.33Å; A284-I326 PolarHBondContact N-O 3.4Å; Q324-I326 HydrophobicContact CG-CD1 4.34Å; Q324-I326 HydrophobicContact CG-CG1 4.27Å; I326-F360 HydrophobicContact CD1-CD1 4.15Å; I326-F360 HydrophobicContact CD1-CE1 4.3Å; I326-F360 HydrophobicContact CG1-CD1 4.39Å; I326-F360 HydrophobicContact CG1-CE1 4.43Å; I326-F360 HydrophobicContact CG2-CE1 4.08Å; I326-F432 VanDerWaalsContact C-CE1 3.47Å
327	G	86.7	Confident	84.3	Confident	10 Å²	10	33 Å²	33	10%	0.103	17%	0.168	C	C	.	.			trans	-92.5	177.3	173.7	0	0	0	0	0	113	A390	G327-A390 PolarHBondContact N-O 3.5Å
328	L	87.4	Confident	85.2	Confident	81 Å²	81	31.8 Å²	31.8	42%	0.424	16%	0.162	S	C	.	.			trans	-70.5	154.8	170.7	-58.9	175.8	0	0	0	110.6	Y330 Q331 A390	L328-Y330 PolarHBondContact O-N 2.65Å; L328-Q331 HydrophobicContact CB-CG 4.28Å; L328-Q331 VanDerWaalsContact N-OE1 3.07Å; L328-Q331 PolarHBondContact O-N 3.31Å; L328-A390 WeakPolarHBondContact O-CB 3.26Å
329	P	82.8	Confident	85.8	Confident	111 Å²	111	29.3 Å²	29.3	72%	0.721	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.3	-172.2	-29.5	36.5	0	0	0	117.3
330	Y	80.6	Confident	86.3	Confident	213 Å²	213	29.3 Å²	29.3	84%	0.835	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	13.1	178.7	-51.9	-69.8	0	0	0	113.5	L328	L328-Y330 PolarHBondContact O-N 2.65Å
331	Q	87.1	Confident	86.4	Confident	14 Å²	14	29.6 Å²	29.6	7%	0.065	15%	0.15	C	C	.	.			trans	-109.8	139.6	176	-68.9	174	-37.1	0	0	110.2	L328 A390 T433	L328-Q331 HydrophobicContact CB-CG 4.28Å; L328-Q331 VanDerWaalsContact N-OE1 3.07Å; L328-Q331 PolarHBondContact O-N 3.31Å; Q331-A390 VanDerWaalsContact O-CA 3.31Å; Q331-A390 WeakPolarHBondContact O-CA 3.4Å; Q331-A390 WeakPolarHBondContact O-CB 3.27Å; Q331-T433 WeakPolarHBondContact CA-O 3.2Å
332	R	90.4	Very high	86.2	Confident	15 Å²	15	30.2 Å²	30.2	6%	0.057	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	162.4	162.9	-70	176.6	66.7	-169.6	0.9	108.9	V386 S387 T433 L436 L437 V439 T451 E452	R332-V386 VanDerWaalsContact NH2-CG1 3.34Å; R332-S387 VanDerWaalsContact CZ-O 3.23Å; R332-S387 PolarHBondContact NE-O 2.81Å; R332-S387 PolarHBondContact NH2-O 2.78Å; R332-T433 PolarHBondContact N-O 3Å; R332-T433 PolarHBondContact O-N 2.97Å; R332-L436 HydrophobicContact CB-CB 4.08Å; R332-L436 HydrophobicContact CB-CD1 3.55Å; R332-L436 HydrophobicContact CB-CG 4.47Å; R332-L437 VanDerWaalsContact CD-O 3.31Å; R332-L437 WeakPolarHBondContact CD-O 3.27Å; R332-L437 PolarHBondContact NH1-O 2.73Å; R332-V439 VanDerWaalsContact CZ-CG2 3.46Å; R332-T451 PolarHBondContact NH2-O 3.48Å; R332-E452 PolarHBondContact NH1-O 3.05Å
333	I	91.9	Very high	85.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.3	-176.7	-53.6	170.3	0	0	0	108.2	L325 L335 V386 S387 L392 F432	L325-I333 HydrophobicContact CB-CD1 3.86Å; L325-I333 HydrophobicContact CD1-CG2 3.96Å; I333-L335 HydrophobicContact CG2-CD2 3.9Å; I333-L335 HydrophobicContact CG2-CG 4.46Å; I333-V386 WeakPolarHBondContact O-CA 3.42Å; I333-S387 WeakPolarHBondContact CB-OG 3.33Å; I333-S387 PolarHBondContact N-OG 2.54Å; I333-S387 PolarHBondContact O-N 2.93Å; I333-L392 HydrophobicContact CD1-CB 3.73Å; I333-L392 HydrophobicContact CG2-CD2 4.37Å; I333-F432 HydrophobicContact CD1-CD1 4.28Å; I333-F432 HydrophobicContact CD1-CE1 3.9Å; I333-F432 HydrophobicContact CG1-CD1 3.75Å; I333-F432 HydrophobicContact CG1-CE1 3.87Å
334	S	91.4	Very high	84.6	Confident	9 Å²	9	35 Å²	35	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.3	166.1	-115	0	0	0	0	109.1	H384 Y430 T431	S334-H384 PolarHBondContact OG-CE1 3.34Å; S334-H384 PolarHBondContact OG-NE2 2.9Å; S334-Y430 CarbonylContact O-C 3.55Å; S334-Y430 WeakPolarHBondContact O-CA 3.46Å; S334-T431 PolarHBondContact N-O 3.35Å; S334-T431 PolarHBondContact O-N 2.88Å
335	L	91.1	Very high	83.1	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.7	169.8	-60.2	-168.4	0	0	0	110.7	L325 I333 F356 H384 I385 L392 I394 L428 R429 Y430	L325-L335 HydrophobicContact CD1-CD2 3.75Å; I333-L335 HydrophobicContact CG2-CD2 3.9Å; I333-L335 HydrophobicContact CG2-CG 4.46Å; L335-F356 HydrophobicContact CD1-CD1 3.67Å; L335-F356 HydrophobicContact CD1-CE1 3.45Å; L335-F356 VanDerWaalsContact CD1-CE1 3.45Å; L335-H384 CarbonylContact O-C 3.6Å; L335-H384 WeakPolarHBondContact O-CA 3.18Å; L335-I385 HydrophobicContact CB-CB 4.32Å; L335-I385 PolarHBondContact N-O 3.29Å; L335-I385 PolarHBondContact O-N 2.93Å; L335-L392 HydrophobicContact CD1-CD2 3.53Å; L335-L392 HydrophobicContact CD2-CD2 4.4Å; L335-L392 HydrophobicContact CG-CD2 3.91Å; L335-I394 HydrophobicContact CD1-CD1 3.89Å; L335-I394 HydrophobicContact CD1-CG1 4.47Å; L335-L428 HydrophobicContact CD2-CD1 4.26Å; L335-R429 CarbonylContact C-O 3.56Å; L335-R429 VanDerWaalsContact CA-O 3.29Å; L335-R429 WeakPolarHBondContact CA-O 3.31Å; L335-Y430 VanDerWaalsContact CD2-CB 3.41Å
336	D	88.9	Confident	81.8	Confident	32 Å²	32	39.8 Å²	39.8	17%	0.171	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.8	165.9	-47	-66.1	0	0	0	109.1	L338 H384 L428 R429	D336-L338 HydrophobicContact CB-CD2 3.95Å; D336-L338 PolarHBondContact O-N 3.26Å; D336-H384 IonicContact OD1-CD2 2.71Å; D336-H384 PolarHBondContact OD1-CD2 2.81Å; D336-L428 CarbonylContact O-C 3.48Å; D336-L428 WeakPolarHBondContact O-CA 3.13Å; D336-L428 WeakPolarHBondContact O-CB 3.37Å; D336-R429 HydrophobicContact CB-CB 4.35Å; D336-R429 PolarHBondContact N-O 2.75Å; D336-R429 PolarHBondContact O-N 2.81Å; D336-R429 IonicContact OD2-CZ 3.15Å; D336-R429 IonicContact OD2-NE 2.66Å; D336-R429 PolarHBondContact OD2-NE 2.97Å; D336-R429 IonicContact OD2-NH2 3.33Å; D336-R429 PolarHBondContact OD2-NH2 3.33Å
337	I	87	Confident	80.4	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	108.9	168.1	-57.8	-175.3	0	0	0	107.8	I340 F356 I376 N382 I383 I385	I337-I340 HydrophobicContact CG2-CB 3.93Å; I337-I340 HydrophobicContact CG2-CG2 3.89Å; I337-F356 HydrophobicContact CD1-CE2 4.08Å; I337-F356 HydrophobicContact CD1-CZ 3.9Å; I337-I376 HydrophobicContact CD1-CD1 4.01Å; I337-N382 WeakPolarHBondContact O-CA 3.14Å; I337-N382 PolarHBondContact O-N 3.36Å; I337-I383 HydrophobicContact CB-CB 4.24Å; I337-I383 HydrophobicContact CD1-CB 4.13Å; I337-I383 HydrophobicContact CD1-CG2 4.31Å; I337-I383 HydrophobicContact CG1-CB 4.35Å; I337-I383 PolarHBondContact N-O 2.91Å; I337-I385 HydrophobicContact CD1-CD1 4.31Å
338	L	83.8	Confident	79.4	Confident	44 Å²	44	46.9 Å²	46.9	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-34.4	-175	-56.8	-176.6	0	0	0	112.1	D336 R427 R429	D336-L338 HydrophobicContact CB-CD2 3.95Å; D336-L338 PolarHBondContact O-N 3.26Å; L338-R427 HydrophobicContact CB-CG 4.43Å; L338-R427 WeakPolarHBondContact CB-O 3.18Å; L338-R427 HydrophobicContact CD1-CG 4.31Å; L338-R427 PolarHBondContact N-O 2.89Å; L338-R429 HydrophobicContact CD1-CB 4.12Å; L338-R429 HydrophobicContact CD2-CB 4.44Å; L338-R429 HydrophobicContact CG-CB 4.32Å
339	D	82.7	Confident	78.9	Confident	21 Å²	21	43.2 Å²	43.2	11%	0.112	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	136.1	-179.6	-167.4	14.4	0	0	0	109.3	Y311 R424 F426 R427	Y311-D339 HydrophobicContact CE2-CB 4.25Å; Y311-D339 WeakPolarHBondContact CE2-OD2 3.38Å; Y311-D339 PolarHBondContact OH-OD2 2.88Å; Y311-D339 VanDerWaalsContact OH-OD2 3.12Å; D339-R424 IonicContact OD1-CZ 2.74Å; D339-R424 VanDerWaalsContact OD1-CZ 3.28Å; D339-R424 IonicContact OD1-NH1 2.74Å; D339-R424 PolarHBondContact OD1-NH1 2.95Å; D339-R424 IonicContact OD1-NH2 3.15Å; D339-R424 PolarHBondContact OD1-NH2 2.93Å; D339-R424 IonicContact OD2-CZ 2.96Å; D339-R424 IonicContact OD2-NH1 3.63Å; D339-R424 PolarHBondContact OD2-NH1 3.01Å; D339-F426 CarbonylContact O-C 3.53Å; D339-F426 WeakPolarHBondContact O-CA 3.42Å; D339-R427 HydrophobicContact CB-CB 4.4Å; D339-R427 PolarHBondContact N-O 2.65Å; D339-R427 VanDerWaalsContact N-O 3.15Å; D339-R427 PolarHBondContact O-N 3.22Å
340	I	82.4	Confident	78.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	127.9	177.7	-173	167.3	0	0	0	110.2	I337 L342 I354 I376 S380 F426	I337-I340 HydrophobicContact CG2-CB 3.93Å; I337-I340 HydrophobicContact CG2-CG2 3.89Å; I340-L342 HydrophobicContact CD1-CD1 4.03Å; I340-L342 HydrophobicContact CD1-CG 4.39Å; I340-L342 HydrophobicContact CG1-CD1 4.16Å; I340-L342 HydrophobicContact CG1-CG 3.96Å; I340-I354 HydrophobicContact CD1-CG2 3.61Å; I340-I376 HydrophobicContact CD1-CG2 4.02Å; I340-S380 WeakPolarHBondContact CG2-O 3.47Å; I340-F426 HydrophobicContact CB-CB 4.4Å; I340-F426 HydrophobicContact CG1-CB 4.18Å
341	D	78.3	Confident	78	Confident	25 Å²	25	33.8 Å²	33.8	13%	0.134	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	82.5	-175.7	-150.5	-29.6	0	0	0	109.5	H379 R422 R423 R424 G425	D341-H379 IonicContact OD2-CD2 3.87Å; D341-R422 VanDerWaalsContact OD2-O 3.08Å; D341-R423 WeakPolarHBondContact O-CA 3.25Å; D341-R424 HydrophobicContact CB-CB 4.04Å; D341-R424 PolarHBondContact O-N 3.15Å; D341-R424 IonicContact OD2-CZ 3.37Å; D341-R424 IonicContact OD2-NE 2.65Å; D341-R424 PolarHBondContact OD2-NE 2.92Å; D341-R424 IonicContact OD2-NH2 3.88Å; D341-R424 PolarHBondContact OD2-NH2 2.96Å; D341-G425 PolarHBondContact N-O 2.85Å
342	L	77.2	Confident	77.8	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.063	21%	0.211	C	C	.	.			trans	-115	168.1	-176.3	-58	-176.7	0	0	0	111	I340 S344 D352 C377 F396	I340-L342 HydrophobicContact CD1-CD1 4.03Å; I340-L342 HydrophobicContact CD1-CG 4.39Å; I340-L342 HydrophobicContact CG1-CD1 4.16Å; I340-L342 HydrophobicContact CG1-CG 3.96Å; L342-S344 PolarHBondContact O-N 2.82Å; L342-D352 HydrophobicContact CB-CB 4.1Å; L342-C377 HydrophobicContact CB-CB 4.39Å; L342-F396 HydrophobicContact CD1-CD2 4.4Å; L342-F396 HydrophobicContact CD1-CE2 3.88Å; L342-F396 HydrophobicContact CD2-CE2 3.63Å; L342-F396 HydrophobicContact CD2-CZ 3.97Å; L342-F396 HydrophobicContact CG-CE2 4.44Å
343	Y	72.4	Confident	77.6	Confident	73 Å²	73	33.1 Å²	33.1	29%	0.286	21%	0.211	S	C	.	.			trans	-92	96.5	179.7	-178.7	-100	0	0	0	112.2	G345 K351 D352 T421 R423	Y343-G345 VanDerWaalsContact CE1-CA 3.49Å; Y343-G345 PolarHBondContact O-N 3.04Å; Y343-K351 HydrophobicContact CD1-CB 4.39Å; Y343-K351 HydrophobicContact CD1-CD 4.33Å; Y343-K351 HydrophobicContact CE1-CD 4.12Å; Y343-D352 WeakPolarHBondContact CB-OD2 3.36Å; Y343-T421 HydrophobicContact CD2-CG2 4.35Å; Y343-R423 VanDerWaalsContact CD2-NH2 3.32Å
344	S	66.4	Low	77.4	Confident	30 Å²	30	33.1 Å²	33.1	21%	0.21	21%	0.212	C	C	.	.			trans	-57.4	-48.2	178.9	-37.9	0	0	0	0	112.9	L342 S346 P350 C377 D378	L342-S344 PolarHBondContact O-N 2.82Å; S344-S346 PolarHBondContact O-N 2.99Å; S344-P350 WeakPolarHBondContact O-CD 3.45Å; S344-C377 WeakPolarHBondContact CA-SG 3.45Å; S344-C377 WeakPolarHBondContact CB-SG 3.23Å; S344-D378 VanDerWaalsContact CB-OD1 3.28Å; S344-D378 WeakPolarHBondContact CB-OD1 3.39Å; S344-D378 PolarHBondContact OG-OD1 2.86Å
345	G	56.6	Low	77.2	Confident	41 Å²	41	33.2 Å²	33.2	42%	0.423	21%	0.211	S	C	.	.			trans	68.1	-34.5	176.5	0	0	0	0	0	116.3	Y343	Y343-G345 VanDerWaalsContact CE1-CA 3.49Å; Y343-G345 PolarHBondContact O-N 3.04Å
346	S	61.4	Low	77.2	Confident	71 Å²	71	33.2 Å²	33.2	50%	0.497	21%	0.211	S	C	.	.	S	Bend	trans	-166	162.8	174.6	-75.8	0	0	0	0	109.6	S344 G348 C349	S344-S346 PolarHBondContact O-N 2.99Å; S346-G348 PolarHBondContact O-N 3.18Å; S346-C349 PolarHBondContact O-N 3.02Å
347	P	62.9	Low	77.2	Confident	135 Å²	135	32.7 Å²	32.7	88%	0.877	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	134.2	173.8	-23.7	34.3	0	0	0	111.5
348	G	65.4	Low	77.2	Confident	54 Å²	54	33 Å²	33	56%	0.557	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	11.1	-179.1	0	0	0	0	0	115.9	S346	S346-G348 PolarHBondContact O-N 3.18Å
349	C	75.7	Confident	77.3	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.034	21%	0.207	C	C	.	.			trans	52.1	60.5	168.9	-48.6	0	0	0	0	114.9	S346 K351 F353 R375 C377	S346-C349 PolarHBondContact O-N 3.02Å; C349-K351 VanDerWaalsContact C-N 3.32Å; C349-K351 PolarHBondContact O-N 2.86Å; C349-F353 HydrophobicContact CB-CB 3.93Å; C349-F353 WeakPolarHBondContact O-CD1 3.2Å; C349-R375 HydrophobicContact CB-CB 3.76Å; C349-R375 WeakPolarHBondContact O-CD 3.44Å; C349-R375 PolarHBondContact O-NH1 2.83Å; C349-R375 PolarHBondContact SG-O 2.82Å; C349-C377 VanDerWaalsContact CA-SG 3.54Å; C349-C377 HydrophobicContact CB-CB 3.56Å; C349-C377 WeakPolarHBondContact CB-SG 3.35Å; C349-C377 WeakPolarHBondContact SG-CB 3.12Å; C349-C377 PolarHBondContact SG-N 3.35Å; C349-C377 CovalentContact SG-SG 2.02Å; C349-C377 PolarHBondContact SG-SG 2.91Å
350	P	72.4	Confident	77.2	Confident	74 Å²	74	36.7 Å²	36.7	48%	0.481	23%	0.228	S	C	.	.	S	Bend	trans	-75.3	-12.7	-176.3	30.4	-37.3	0	0	0	115.1	S344	S344-P350 WeakPolarHBondContact O-CD 3.45Å
351	K	73.4	Confident	76.9	Confident	52 Å²	52	40.9 Å²	40.9	23%	0.226	25%	0.247	C	C	.	.	S	Bend	trans	-113.5	-83.1	-176.6	-65	-158.6	-178.8	-163.2	0	113.3	Y343 C349 Q400	Y343-K351 HydrophobicContact CD1-CB 4.39Å; Y343-K351 HydrophobicContact CD1-CD 4.33Å; Y343-K351 HydrophobicContact CE1-CD 4.12Å; C349-K351 VanDerWaalsContact C-N 3.32Å; C349-K351 PolarHBondContact O-N 2.86Å; K351-Q400 PolarHBondContact NZ-O 3.07Å
352	D	81.3	Confident	76.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-92.2	121.7	179.5	-63.1	8.3	0	0	0	108	H315 L342 Y343 C377 V397 T398 G399 R423	H315-D352 IonicContact CD2-OD2 2.89Å; H315-D352 IonicContact CE1-OD2 2.64Å; H315-D352 IonicContact NE2-OD2 3.02Å; H315-D352 PolarHBondContact NE2-OD2 2.76Å; L342-D352 HydrophobicContact CB-CB 4.1Å; Y343-D352 WeakPolarHBondContact CB-OD2 3.36Å; D352-C377 WeakPolarHBondContact O-CB 3.43Å; D352-V397 CarbonylContact C-O 3.57Å; D352-V397 WeakPolarHBondContact CA-O 2.76Å; D352-T398 WeakPolarHBondContact OD1-CA 3.4Å; D352-G399 PolarHBondContact OD1-N 2.88Å; D352-R423 IonicContact OD1-NH1 3.59Å; D352-R423 IonicContact OD2-CZ 3.28Å; D352-R423 IonicContact OD2-NH1 2.94Å; D352-R423 PolarHBondContact OD2-NH1 2.55Å
353	F	86.1	Confident	76.3	Confident	14 Å²	14	43 Å²	43	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	152.3	179.2	64.7	-90.8	0	0	0	113.6	C349 Q355 R375 I376 L395 F396 V397	C349-F353 HydrophobicContact CB-CB 3.93Å; C349-F353 WeakPolarHBondContact O-CD1 3.2Å; F353-Q355 HydrophobicContact CD2-CB 4.14Å; F353-Q355 HydrophobicContact CE2-CB 4.27Å; F353-R375 HydrophobicContact CB-CB 3.95Å; F353-R375 HydrophobicContact CB-CG 4.35Å; F353-R375 HydrophobicContact CD2-CB 4.25Å; F353-R375 HydrophobicContact CD2-CG 3.77Å; F353-R375 VanDerWaalsContact CE1-NH1 3.34Å; F353-R375 HydrophobicContact CE2-CG 4.22Å; F353-R375 HydrophobicContact CG-CB 4.22Å; F353-R375 HydrophobicContact CG-CG 4.06Å; F353-I376 WeakPolarHBondContact CA-O 3.35Å; F353-L395 HydrophobicContact CE2-CD2 4.35Å; F353-F396 WeakPolarHBondContact O-CD2 3.46Å; F353-V397 HydrophobicContact CD1-CB 4.14Å; F353-V397 HydrophobicContact CE1-CB 3.68Å; F353-V397 HydrophobicContact CE1-CG1 3.96Å; F353-V397 HydrophobicContact CE1-CG2 4.12Å; F353-V397 HydrophobicContact CE2-CB 4.1Å; F353-V397 HydrophobicContact CE2-CG2 3.81Å; F353-V397 HydrophobicContact CZ-CB 3.66Å; F353-V397 HydrophobicContact CZ-CG1 4.18Å; F353-V397 HydrophobicContact CZ-CG2 3.55Å; F353-V397 PolarHBondContact N-O 2.85Å; F353-V397 PolarHBondContact O-N 2.94Å
354	I	88.2	Confident	75.7	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.4	160.9	-165	170.6	0	0	0	109.5	I340 F356 I376 I394 L395 F426 L428	I340-I354 HydrophobicContact CD1-CG2 3.61Å; I354-F356 HydrophobicContact CD1-CE1 4.33Å; I354-F356 HydrophobicContact CD1-CE2 4.42Å; I354-F356 HydrophobicContact CD1-CZ 3.76Å; I354-F356 HydrophobicContact CG1-CE2 4.18Å; I354-F356 HydrophobicContact CG1-CZ 3.96Å; I354-F356 HydrophobicContact CG2-CE2 4.06Å; I354-F356 HydrophobicContact CG2-CZ 4.35Å; I354-I376 HydrophobicContact CG2-CB 3.83Å; I354-I376 PolarHBondContact N-O 3.49Å; I354-I376 PolarHBondContact O-N 2.03Å; I354-I394 HydrophobicContact CD1-CG2 3.7Å; I354-I394 HydrophobicContact CG1-CG2 3.78Å; I354-L395 CarbonylContact C-O 3.53Å; I354-L395 WeakPolarHBondContact CA-O 3.38Å; I354-F426 HydrophobicContact CD1-CD1 3.87Å; I354-F426 HydrophobicContact CD1-CD2 4.22Å; I354-F426 HydrophobicContact CD1-CE1 3.85Å; I354-F426 HydrophobicContact CD1-CE2 4.22Å; I354-F426 HydrophobicContact CD1-CG 4.08Å; I354-F426 HydrophobicContact CD1-CZ 4.05Å; I354-L428 HydrophobicContact CD1-CD2 4.22Å
355	Q	88	Confident	75.6	Confident	11 Å²	11	47.6 Å²	47.6	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141	-179.9	-179.8	66.9	63	0	0	109.8	F353 Y357 I372 G373 L395	F353-Q355 HydrophobicContact CD2-CB 4.14Å; F353-Q355 HydrophobicContact CE2-CB 4.27Å; Q355-Y357 HydrophobicContact CB-CE2 4.22Å; Q355-Y357 HydrophobicContact CG-CD2 4.35Å; Q355-Y357 HydrophobicContact CG-CE1 4.18Å; Q355-Y357 HydrophobicContact CG-CE2 3.6Å; Q355-Y357 VanDerWaalsContact CG-CZ 3.5Å; Q355-I372 PolarHBondContact NE2-O 2.91Å; Q355-G373 PolarHBondContact NE2-O 3.01Å; Q355-L395 HydrophobicContact CB-CB 4.5Å; Q355-L395 PolarHBondContact N-O 2.81Å; Q355-L395 PolarHBondContact O-N 3.31Å
356	F	90.6	Very high	75.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.5	-177.4	-58	-90.1	0	0	0	110.4	L335 I337 I354 S371 I372 I376 I385 I394 L428	L335-F356 HydrophobicContact CD1-CD1 3.67Å; L335-F356 HydrophobicContact CD1-CE1 3.45Å; L335-F356 VanDerWaalsContact CD1-CE1 3.45Å; I337-F356 HydrophobicContact CD1-CE2 4.08Å; I337-F356 HydrophobicContact CD1-CZ 3.9Å; I354-F356 HydrophobicContact CD1-CE1 4.33Å; I354-F356 HydrophobicContact CD1-CE2 4.42Å; I354-F356 HydrophobicContact CD1-CZ 3.76Å; I354-F356 HydrophobicContact CG1-CE2 4.18Å; I354-F356 HydrophobicContact CG1-CZ 3.96Å; I354-F356 HydrophobicContact CG2-CE2 4.06Å; I354-F356 HydrophobicContact CG2-CZ 4.35Å; F356-S371 WeakPolarHBondContact O-CA 3.39Å; F356-I372 HydrophobicContact CB-CB 3.95Å; F356-I372 PolarHBondContact O-N 2.85Å; F356-I376 HydrophobicContact CD2-CD1 4.5Å; F356-I376 HydrophobicContact CE2-CD1 3.97Å; F356-I385 HydrophobicContact CD1-CD1 4.36Å; F356-I385 HydrophobicContact CD2-CD1 3.52Å; F356-I385 HydrophobicContact CE1-CD1 4.34Å; F356-I385 HydrophobicContact CE2-CD1 3.5Å; F356-I385 HydrophobicContact CG-CD1 3.99Å; F356-I385 HydrophobicContact CZ-CD1 3.93Å; F356-I394 HydrophobicContact CD1-CB 4.42Å; F356-I394 HydrophobicContact CD1-CD1 4.41Å; F356-I394 HydrophobicContact CD1-CG1 3.92Å; F356-I394 HydrophobicContact CD1-CG2 4.07Å; F356-I394 HydrophobicContact CE1-CB 4.45Å; F356-I394 HydrophobicContact CE1-CD1 4.09Å; F356-I394 HydrophobicContact CE1-CG1 4.03Å; F356-I394 HydrophobicContact CE1-CG2 3.74Å; F356-I394 HydrophobicContact CZ-CG2 4.4Å; F356-L428 HydrophobicContact CE1-CD2 4.38Å
357	Y	89.6	Confident	76	Confident	22 Å²	22	44.9 Å²	44.9	9%	0.086	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130.2	-179.9	-61.9	-81.9	0	0	0	111.4	Q355 I362 I367 N370 L392 V393 L395	Q355-Y357 HydrophobicContact CB-CE2 4.22Å; Q355-Y357 HydrophobicContact CG-CD2 4.35Å; Q355-Y357 HydrophobicContact CG-CE1 4.18Å; Q355-Y357 HydrophobicContact CG-CE2 3.6Å; Q355-Y357 VanDerWaalsContact CG-CZ 3.5Å; Y357-I362 HydrophobicContact CD2-CD1 3.71Å; Y357-I362 HydrophobicContact CD2-CG1 3.76Å; Y357-I362 HydrophobicContact CE2-CD1 3.62Å; Y357-I362 HydrophobicContact CE2-CG1 4.05Å; Y357-I362 HydrophobicContact CG-CG1 4.11Å; Y357-I367 HydrophobicContact CE1-CG2 3.53Å; Y357-N370 CarbonylContact C-O 3.56Å; Y357-N370 WeakPolarHBondContact CA-O 3.34Å; Y357-L392 WeakPolarHBondContact O-CA 3.21Å; Y357-L392 VanDerWaalsContact O-CD1 3.29Å; Y357-L392 WeakPolarHBondContact O-CD1 3.03Å; Y357-V393 PolarHBondContact N-O 2.04Å; Y357-V393 PolarHBondContact O-N 2.77Å; Y357-L395 HydrophobicContact CD2-CB 4.47Å; Y357-L395 HydrophobicContact CE2-CB 3.95Å; Y357-L395 HydrophobicContact CE2-CD2 3.88Å
358	D	87.2	Confident	75.9	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.3	169.4	-89.7	-40.5	0	0	0	111.6	N370 S387 T388 R449	D358-N370 PolarHBondContact N-O 2.86Å; D358-N370 PolarHBondContact O-ND2 2.84Å; D358-S387 VanDerWaalsContact OD1-CA 3.28Å; D358-S387 WeakPolarHBondContact OD1-CA 3.28Å; D358-S387 WeakPolarHBondContact OD1-CB 3.18Å; D358-T388 PolarHBondContact OD1-N 3.45Å; D358-T388 PolarHBondContact OD1-OG1 3.01Å; D358-T388 WeakPolarHBondContact OD2-CB 3.17Å; D358-T388 VanDerWaalsContact OD2-CG2 3.31Å; D358-T388 WeakPolarHBondContact OD2-CG2 3.01Å; D358-T388 PolarHBondContact OD2-N 2.99Å; D358-T388 PolarHBondContact OD2-OG1 2.87Å; D358-R449 IonicContact OD2-NE 2.68Å
359	G	84.4	Confident	76	Confident	21 Å²	21	49.5 Å²	49.5	22%	0.216	26%	0.26	C	S	.	.	S	Bend	trans	105.1	-174.3	175.8	0	0	0	0	0	114.1	S391 L392	G359-S391 VanDerWaalsContact CA-OG 3.32Å; G359-S391 WeakPolarHBondContact CA-OG 3.3Å; G359-S391 PolarHBondContact N-O 3.11Å; G359-S391 CarbonylContact O-C 3.59Å; G359-L392 PolarHBondContact O-N 2.8Å
360	F	82	Confident	76.2	Confident	122 Å²	122	51.3 Å²	51.3	54%	0.535	27%	0.269	S	S	.	.	S	Bend	trans	-82.3	-26.2	-174.4	-67.7	-83.5	0	0	0	114.2	Q324 I326 S391 V393	Q324-F360 PolarHBondContact NE2-O 2.81Å; I326-F360 HydrophobicContact CD1-CD1 4.15Å; I326-F360 HydrophobicContact CD1-CE1 4.3Å; I326-F360 HydrophobicContact CG1-CD1 4.39Å; I326-F360 HydrophobicContact CG1-CE1 4.43Å; I326-F360 HydrophobicContact CG2-CE1 4.08Å; F360-S391 WeakPolarHBondContact CD2-OG 3.49Å; F360-S391 WeakPolarHBondContact CE2-OG 3.46Å; F360-S391 PolarHBondContact N-OG 2.8Å; F360-V393 WeakPolarHBondContact O-CG2 3.49Å
361	Q	74.8	Confident	76.6	Confident	89 Å²	89	49.4 Å²	49.4	42%	0.416	26%	0.258	S	S	.	.	S	Bend	trans	-153.4	154.6	-174.3	-168.5	173	0.3	0	0	111.1	Y253 D363	Y253-Q361 PolarHBondContact O-NE2 2.84Å; Q361-D363 PolarHBondContact O-N 2.84Å
362	I	73.6	Confident	77.1	Confident	11 Å²	11	47.2 Å²	47.2	6%	0.056	25%	0.248	C	C	.	.			trans	-79.5	103.2	171.3	-54.4	171.8	0	0	0	108.1	P255 Y357 I367 V393 L395	P255-I362 WeakPolarHBondContact CD-O 3.33Å; Y357-I362 HydrophobicContact CD2-CD1 3.71Å; Y357-I362 HydrophobicContact CD2-CG1 3.76Å; Y357-I362 HydrophobicContact CE2-CD1 3.62Å; Y357-I362 HydrophobicContact CE2-CG1 4.05Å; Y357-I362 HydrophobicContact CG-CG1 4.11Å; I362-I367 HydrophobicContact CG2-CG1 4.37Å; I362-V393 HydrophobicContact CD1-CG1 4.14Å; I362-V393 HydrophobicContact CG1-CG1 4.09Å; I362-L395 HydrophobicContact CD1-CB 4.34Å; I362-L395 HydrophobicContact CD1-CD2 4.34Å
363	D	69.2	Low	76.8	Confident	71 Å²	71	48.4 Å²	48.4	38%	0.38	26%	0.26	S	S	.	.			trans	-89.5	135.5	174.8	167.8	22.3	0	0	0	111	Q361 T365 S366 I367	Q361-D363 PolarHBondContact O-N 2.84Å; D363-T365 PolarHBondContact O-N 2.84Å; D363-T365 VanDerWaalsContact O-N 3.13Å; D363-T365 PolarHBondContact OD1-N 2.75Å; D363-T365 PolarHBondContact OD2-OG1 3.32Å; D363-S366 PolarHBondContact O-N 2.92Å; D363-I367 WeakPolarHBondContact O-CD1 3.37Å; D363-I367 WeakPolarHBondContact O-CG1 3.27Å; D363-I367 PolarHBondContact O-N 2.61Å
364	N	61.4	Low	76.3	Confident	86 Å²	86	51.8 Å²	51.8	46%	0.46	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.1	177.1	-116.7	10.7	0	0	0	113.6	P255 F256 I367	P255-N364 HydrophobicContact CB-CB 4.16Å; P255-N364 VanDerWaalsContact CB-CG 3.49Å; P255-N364 WeakPolarHBondContact CB-OD1 3.42Å; P255-N364 HydrophobicContact CG-CB 4.19Å; P255-N364 VanDerWaalsContact CG-OD1 3.28Å; P255-N364 WeakPolarHBondContact CG-OD1 3.33Å; F256-N364 WeakPolarHBondContact CE2-OD1 3.38Å; F256-N364 WeakPolarHBondContact CZ-OD1 3.29Å; N364-I367 WeakPolarHBondContact O-CD1 3.49Å
365	T	63.2	Low	76.1	Confident	112 Å²	112	57 Å²	57	69%	0.687	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-15	177.4	82.7	0	0	0	0	114.2	D363	D363-T365 PolarHBondContact O-N 2.84Å; D363-T365 VanDerWaalsContact O-N 3.13Å; D363-T365 PolarHBondContact OD1-N 2.75Å; D363-T365 PolarHBondContact OD2-OG1 3.32Å
366	S	61.5	Low	75.9	Confident	13 Å²	13	57.3 Å²	57.3	9%	0.091	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-1.1	-163.3	78	0	0	0	0	116.5	D363 S368 R369 N370	D363-S366 PolarHBondContact O-N 2.92Å; S366-S368 VanDerWaalsContact C-N 3.28Å; S366-S368 PolarHBondContact O-N 2.68Å; S366-R369 WeakPolarHBondContact O-CA 3.2Å; S366-R369 WeakPolarHBondContact O-CB 3.23Å; S366-R369 PolarHBondContact O-N 3.06Å; S366-N370 PolarHBondContact O-N 2.87Å; S366-N370 PolarHBondContact OG-ND2 2.88Å
367	I	64.9	Low	75.4	Confident	42 Å²	42	57.3 Å²	57.3	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-37	-55.5	-178.9	-47	92.9	0	0	0	113	F256 Y357 I362 D363 N364 R369 N370 S371	F256-I367 HydrophobicContact CE2-CD1 3.78Å; F256-I367 HydrophobicContact CE2-CG1 3.53Å; F256-I367 HydrophobicContact CZ-CD1 3.61Å; F256-I367 HydrophobicContact CZ-CG1 3.84Å; Y357-I367 HydrophobicContact CE1-CG2 3.53Å; I362-I367 HydrophobicContact CG2-CG1 4.37Å; D363-I367 WeakPolarHBondContact O-CD1 3.37Å; D363-I367 WeakPolarHBondContact O-CG1 3.27Å; D363-I367 PolarHBondContact O-N 2.61Å; N364-I367 WeakPolarHBondContact O-CD1 3.49Å; I367-R369 VanDerWaalsContact C-N 3.31Å; I367-R369 PolarHBondContact O-N 3.09Å; I367-N370 PolarHBondContact O-N 2.76Å; I367-S371 WeakPolarHBondContact O-CB 3.33Å; I367-S371 PolarHBondContact O-N 2.79Å; I367-S371 PolarHBondContact O-OG 3.01Å
368	S	61.3	Low	74.4	Confident	105 Å²	105	61 Å²	61	73%	0.734	32%	0.319	S	S	*	.	H	α-helix	trans	-78.6	-7.5	-175.4	56.7	0	0	0	0	115.2	S366	S366-S368 VanDerWaalsContact C-N 3.28Å; S366-S368 PolarHBondContact O-N 2.68Å
369	R	68.1	Low	73.5	Confident	181 Å²	181	65.9 Å²	65.9	68%	0.683	34%	0.342	S	S	*	.	H	α-helix	trans	-94.7	-35.1	170.5	-59	-175.1	-172.5	173.7	4.6	111.4	S366 I367 R449	S366-R369 WeakPolarHBondContact O-CA 3.2Å; S366-R369 WeakPolarHBondContact O-CB 3.23Å; S366-R369 PolarHBondContact O-N 3.06Å; I367-R369 VanDerWaalsContact C-N 3.31Å; I367-R369 PolarHBondContact O-N 3.09Å; R369-R449 WeakPolarHBondContact O-CD 3.31Å; R369-R449 PolarHBondContact O-NE 3.03Å; R369-R449 VanDerWaalsContact O-NE 3.13Å; R369-R449 PolarHBondContact O-NH1 2.81Å; R369-R449 VanDerWaalsContact O-NH1 3.12Å
370	N	78.4	Confident	72.5	Confident	44 Å²	44	65.6 Å²	65.6	24%	0.235	34%	0.336	C	S	.	.	H	α-helix	trans	-93.2	-19.1	-175.8	-70.3	26.9	0	0	0	112.6	Y357 D358 S366 I367 I372	Y357-N370 CarbonylContact C-O 3.56Å; Y357-N370 WeakPolarHBondContact CA-O 3.34Å; D358-N370 PolarHBondContact N-O 2.86Å; D358-N370 PolarHBondContact O-ND2 2.84Å; S366-N370 PolarHBondContact O-N 2.87Å; S366-N370 PolarHBondContact OG-ND2 2.88Å; I367-N370 PolarHBondContact O-N 2.76Å; N370-I372 PolarHBondContact O-N 2.82Å
371	S	81.1	Confident	71.3	Confident	33 Å²	33	62.3 Å²	62.3	23%	0.231	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	122.6	176	53	0	0	0	0	111.3	F356 I367 G373	F356-S371 WeakPolarHBondContact O-CA 3.39Å; I367-S371 WeakPolarHBondContact O-CB 3.33Å; I367-S371 PolarHBondContact O-N 2.79Å; I367-S371 PolarHBondContact O-OG 3.01Å; S371-G373 PolarHBondContact O-N 2.94Å
372	I	83.4	Confident	70.8	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.4	168.9	-55.7	-172.2	0	0	0	107.9	Q355 F356 N370 I385 L392 R449	Q355-I372 PolarHBondContact NE2-O 2.91Å; F356-I372 HydrophobicContact CB-CB 3.95Å; F356-I372 PolarHBondContact O-N 2.85Å; N370-I372 PolarHBondContact O-N 2.82Å; I372-I385 HydrophobicContact CD1-CG2 4.38Å; I372-I385 HydrophobicContact CG2-CG2 3.61Å; I372-L392 HydrophobicContact CD1-CD1 3.38Å; I372-L392 HydrophobicContact CG1-CD1 4.44Å; I372-R449 HydrophobicContact CG1-CB 4.27Å
373	G	76.1	Confident	71	Confident	25 Å²	25	64 Å²	64	26%	0.258	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.3	-174.9	175.9	0	0	0	0	0	114.7	Q355 S371	Q355-G373 PolarHBondContact NE2-O 3.01Å; S371-G373 PolarHBondContact O-N 2.94Å
374	Q	76.2	Confident	71.8	Confident	85 Å²	85	64.2 Å²	64.2	40%	0.397	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	165.3	176.1	-63.7	-172.5	-23.7	0	0	111.2	I376 E1272	Q374-I376 PolarHBondContact O-N 3.26Å; Q374-E1272 PolarHBondContact NE2-OE1 3.01Å
375	R	83.7	Confident	73	Confident	111 Å²	111	60.3 Å²	60.3	42%	0.419	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	132	171.9	-67.8	-179.5	-178.7	-170.3	-0.2	110	C349 F353	C349-R375 HydrophobicContact CB-CB 3.76Å; C349-R375 WeakPolarHBondContact O-CD 3.44Å; C349-R375 PolarHBondContact O-NH1 2.83Å; C349-R375 PolarHBondContact SG-O 2.82Å; F353-R375 HydrophobicContact CB-CB 3.95Å; F353-R375 HydrophobicContact CB-CG 4.35Å; F353-R375 HydrophobicContact CD2-CB 4.25Å; F353-R375 HydrophobicContact CD2-CG 3.77Å; F353-R375 VanDerWaalsContact CE1-NH1 3.34Å; F353-R375 HydrophobicContact CE2-CG 4.22Å; F353-R375 HydrophobicContact CG-CB 4.22Å; F353-R375 HydrophobicContact CG-CG 4.06Å
376	I	83.8	Confident	74.3	Confident	17 Å²	17	55 Å²	55	9%	0.087	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.9	178.4	-45.5	-175.6	0	0	0	109.3	I337 I340 F353 I354 F356 Q374 I383 I385	I337-I376 HydrophobicContact CD1-CD1 4.01Å; I340-I376 HydrophobicContact CD1-CG2 4.02Å; F353-I376 WeakPolarHBondContact CA-O 3.35Å; I354-I376 HydrophobicContact CG2-CB 3.83Å; I354-I376 PolarHBondContact N-O 3.49Å; I354-I376 PolarHBondContact O-N 2.03Å; F356-I376 HydrophobicContact CD2-CD1 4.5Å; F356-I376 HydrophobicContact CE2-CD1 3.97Å; Q374-I376 PolarHBondContact O-N 3.26Å; I376-I383 HydrophobicContact CD1-CD1 4.06Å; I376-I383 HydrophobicContact CD1-CG2 4.42Å; I376-I383 HydrophobicContact CG2-CD1 4.15Å; I376-I385 HydrophobicContact CD1-CD1 4.3Å
377	C	79.8	Confident	75.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	28%	0.277	C	S	.	.			trans	-143.5	-19.1	176.6	57.9	0	0	0	0	113.6	L342 S344 C349 D352	L342-C377 HydrophobicContact CB-CB 4.39Å; S344-C377 WeakPolarHBondContact CA-SG 3.45Å; S344-C377 WeakPolarHBondContact CB-SG 3.23Å; C349-C377 VanDerWaalsContact CA-SG 3.54Å; C349-C377 HydrophobicContact CB-CB 3.56Å; C349-C377 WeakPolarHBondContact CB-SG 3.35Å; C349-C377 WeakPolarHBondContact SG-CB 3.12Å; C349-C377 PolarHBondContact SG-N 3.35Å; C349-C377 CovalentContact SG-SG 2.02Å; C349-C377 PolarHBondContact SG-SG 2.91Å; D352-C377 WeakPolarHBondContact O-CB 3.43Å
378	D	69.4	Low	76.9	Confident	98 Å²	98	54.3 Å²	54.3	52%	0.524	28%	0.278	S	S	.	.	S	Bend	trans	-78.4	146.6	-176	-64.6	-33.8	0	0	0	112.1	S344 S380	S344-D378 VanDerWaalsContact CB-OD1 3.28Å; S344-D378 WeakPolarHBondContact CB-OD1 3.39Å; S344-D378 PolarHBondContact OG-OD1 2.86Å; D378-S380 VanDerWaalsContact C-N 3.34Å; D378-S380 PolarHBondContact O-N 2.87Å; D378-S380 PolarHBondContact O-OG 2.85Å
379	H	67.5	Low	78.2	Confident	111 Å²	111	50.7 Å²	50.7	51%	0.514	26%	0.258	S	S	.	.			trans	-65.4	86.4	179.6	-177.1	-56.8	0	0	0	111.1	D341 R424	D341-H379 IonicContact OD2-CD2 3.87Å; H379-R424 PolarHBondContact NE2-NH2 3.02Å
380	S	62.5	Low	79.2	Confident	14 Å²	14	43 Å²	43	10%	0.098	23%	0.233	C	C	.	.			trans	-130.9	111	-169.8	46	0	0	0	0	110.7	I340 D378 I383	I340-S380 WeakPolarHBondContact CG2-O 3.47Å; D378-S380 VanDerWaalsContact C-N 3.34Å; D378-S380 PolarHBondContact O-N 2.87Å; D378-S380 PolarHBondContact O-OG 2.85Å; S380-I383 VanDerWaalsContact OG-CD1 3.32Å; S380-I383 WeakPolarHBondContact OG-CD1 3.47Å
381	N	56.7	Low	79.8	Confident	53 Å²	53	41.5 Å²	41.5	28%	0.283	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	147.4	-178.7	-64.5	11.6	0	0	0	110.1	I383	N381-I383 PolarHBondContact O-N 3.23Å
382	N	64.7	Low	80.3	Confident	117 Å²	117	39.9 Å²	39.9	63%	0.626	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	33	170.6	-45.8	-51.1	0	0	0	116	I337 H384	I337-N382 WeakPolarHBondContact O-CA 3.14Å; I337-N382 PolarHBondContact O-N 3.36Å; N382-H384 PolarHBondContact O-N 2.68Å
383	I	77.9	Confident	80.6	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.097	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.8	165.4	-62.2	-178	0	0	0	108.7	I337 I376 S380 N381 I385	I337-I383 HydrophobicContact CB-CB 4.24Å; I337-I383 HydrophobicContact CD1-CB 4.13Å; I337-I383 HydrophobicContact CD1-CG2 4.31Å; I337-I383 HydrophobicContact CG1-CB 4.35Å; I337-I383 PolarHBondContact N-O 2.91Å; I376-I383 HydrophobicContact CD1-CD1 4.06Å; I376-I383 HydrophobicContact CD1-CG2 4.42Å; I376-I383 HydrophobicContact CG2-CD1 4.15Å; S380-I383 VanDerWaalsContact OG-CD1 3.32Å; S380-I383 WeakPolarHBondContact OG-CD1 3.47Å; N381-I383 PolarHBondContact O-N 3.23Å; I383-I385 HydrophobicContact CG2-CD1 4.15Å; I383-I385 HydrophobicContact CG2-CG1 3.86Å
384	H	85.4	Confident	81.3	Confident	75 Å²	75	38.5 Å²	38.5	35%	0.347	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.2	175.6	176.3	-81.6	0	0	0	110.2	S334 L335 D336 N382 V386	S334-H384 PolarHBondContact OG-CE1 3.34Å; S334-H384 PolarHBondContact OG-NE2 2.9Å; L335-H384 CarbonylContact O-C 3.6Å; L335-H384 WeakPolarHBondContact O-CA 3.18Å; D336-H384 IonicContact OD1-CD2 2.71Å; D336-H384 PolarHBondContact OD1-CD2 2.81Å; N382-H384 PolarHBondContact O-N 2.68Å; H384-V386 WeakPolarHBondContact CE1-CG2 3.49Å
385	I	87.6	Confident	81.8	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.8	-176.6	-53.4	-179.1	0	0	0	109.6	L335 I337 F356 I372 I376 I383	L335-I385 HydrophobicContact CB-CB 4.32Å; L335-I385 PolarHBondContact N-O 3.29Å; L335-I385 PolarHBondContact O-N 2.93Å; I337-I385 HydrophobicContact CD1-CD1 4.31Å; F356-I385 HydrophobicContact CD1-CD1 4.36Å; F356-I385 HydrophobicContact CD2-CD1 3.52Å; F356-I385 HydrophobicContact CE1-CD1 4.34Å; F356-I385 HydrophobicContact CE2-CD1 3.5Å; F356-I385 HydrophobicContact CG-CD1 3.99Å; F356-I385 HydrophobicContact CZ-CD1 3.93Å; I372-I385 HydrophobicContact CD1-CG2 4.38Å; I372-I385 HydrophobicContact CG2-CG2 3.61Å; I376-I385 HydrophobicContact CD1-CD1 4.3Å; I383-I385 HydrophobicContact CG2-CD1 4.15Å; I383-I385 HydrophobicContact CG2-CG1 3.86Å
386	V	90.3	Very high	82	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.5	178.2	-161.2	0	0	0	0	111.2	R332 I333 H384 L436 G450 E452	R332-V386 VanDerWaalsContact NH2-CG1 3.34Å; I333-V386 WeakPolarHBondContact O-CA 3.42Å; H384-V386 WeakPolarHBondContact CE1-CG2 3.49Å; V386-L436 HydrophobicContact CG1-CD1 3.58Å; V386-L436 HydrophobicContact CG1-CD2 4.03Å; V386-L436 HydrophobicContact CG1-CG 4.33Å; V386-G450 PolarHBondContact N-O 2.8Å; V386-G450 CarbonylContact O-C 3.48Å; V386-G450 WeakPolarHBondContact O-CA 3.21Å; V386-G450 PolarHBondContact O-N 2.78Å; V386-E452 HydrophobicContact CG2-CB 4.39Å
387	S	91.9	Very high	82	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.007	17%	0.165	C	C	.	.			trans	-63.9	153.2	171.5	67.1	0	0	0	0	111.3	R332 I333 D358 G389	R332-S387 VanDerWaalsContact CZ-O 3.23Å; R332-S387 PolarHBondContact NE-O 2.81Å; R332-S387 PolarHBondContact NH2-O 2.78Å; I333-S387 WeakPolarHBondContact CB-OG 3.33Å; I333-S387 PolarHBondContact N-OG 2.54Å; I333-S387 PolarHBondContact O-N 2.93Å; D358-S387 VanDerWaalsContact OD1-CA 3.28Å; D358-S387 WeakPolarHBondContact OD1-CA 3.28Å; D358-S387 WeakPolarHBondContact OD1-CB 3.18Å; S387-G389 WeakPolarHBondContact CB-O 3.31Å; S387-G389 PolarHBondContact OG-O 3.17Å
388	T	88.4	Confident	81.9	Confident	39 Å²	39	29.7 Å²	29.7	24%	0.239	17%	0.166	C	C	.	.	S	Bend	trans	-77.4	-28.2	172.3	50.1	0	0	0	0	112.9	D358 V439 R449	D358-T388 PolarHBondContact OD1-N 3.45Å; D358-T388 PolarHBondContact OD1-OG1 3.01Å; D358-T388 WeakPolarHBondContact OD2-CB 3.17Å; D358-T388 VanDerWaalsContact OD2-CG2 3.31Å; D358-T388 WeakPolarHBondContact OD2-CG2 3.01Å; D358-T388 PolarHBondContact OD2-N 2.99Å; D358-T388 PolarHBondContact OD2-OG1 2.87Å; T388-V439 HydrophobicContact CG2-CG1 4.42Å; T388-V439 HydrophobicContact CG2-CG2 4.31Å; T388-R449 HydrophobicContact CG2-CG 3.95Å
389	G	88.5	Confident	81.9	Confident	29 Å²	29	25.7 Å²	25.7	30%	0.299	15%	0.148	S	C	.	.	S	Bend	trans	-135.5	-166	178.2	0	0	0	0	0	114.1	S387 S391	S387-G389 WeakPolarHBondContact CB-O 3.31Å; S387-G389 PolarHBondContact OG-O 3.17Å; G389-S391 PolarHBondContact O-N 3.22Å
390	A	89.7	Confident	81.6	Confident	21 Å²	21	26.3 Å²	26.3	17%	0.174	15%	0.151	C	C	.	.	S	Bend	trans	-76.2	6.4	-175.3	0	0	0	0	0	115.5	G327 L328 Q331	G327-A390 PolarHBondContact N-O 3.5Å; L328-A390 WeakPolarHBondContact O-CB 3.26Å; Q331-A390 VanDerWaalsContact O-CA 3.31Å; Q331-A390 WeakPolarHBondContact O-CA 3.4Å; Q331-A390 WeakPolarHBondContact O-CB 3.27Å
391	S	90.5	Very high	81.1	Confident	11 Å²	11	28.8 Å²	28.8	8%	0.077	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.6	179.6	50	0	0	0	0	112.2	L325 G359 F360 G389	L325-S391 WeakPolarHBondContact O-CA 3.46Å; G359-S391 VanDerWaalsContact CA-OG 3.32Å; G359-S391 WeakPolarHBondContact CA-OG 3.3Å; G359-S391 PolarHBondContact N-O 3.11Å; G359-S391 CarbonylContact O-C 3.59Å; F360-S391 WeakPolarHBondContact CD2-OG 3.49Å; F360-S391 WeakPolarHBondContact CE2-OG 3.46Å; F360-S391 PolarHBondContact N-OG 2.8Å; G389-S391 PolarHBondContact O-N 3.22Å
392	L	91.7	Very high	80.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.4	-178.5	-174.2	78.4	0	0	0	110	L325 I333 L335 Y357 G359 I372	L325-L392 HydrophobicContact CB-CB 4.44Å; L325-L392 HydrophobicContact CD1-CD2 4.35Å; L325-L392 PolarHBondContact N-O 2.85Å; L325-L392 PolarHBondContact O-N 2.95Å; I333-L392 HydrophobicContact CD1-CB 3.73Å; I333-L392 HydrophobicContact CG2-CD2 4.37Å; L335-L392 HydrophobicContact CD1-CD2 3.53Å; L335-L392 HydrophobicContact CD2-CD2 4.4Å; L335-L392 HydrophobicContact CG-CD2 3.91Å; Y357-L392 WeakPolarHBondContact O-CA 3.21Å; Y357-L392 VanDerWaalsContact O-CD1 3.29Å; Y357-L392 WeakPolarHBondContact O-CD1 3.03Å; G359-L392 PolarHBondContact O-N 2.8Å; I372-L392 HydrophobicContact CD1-CD1 3.38Å; I372-L392 HydrophobicContact CG1-CD1 4.44Å
393	V	90.2	Very high	79.3	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.3	172.5	-178.4	0	0	0	0	110.1	V322 Q324 Y357 F360 I362	V322-V393 HydrophobicContact CG1-CG1 3.51Å; Q324-V393 HydrophobicContact CG-CG2 4.31Å; Y357-V393 PolarHBondContact N-O 2.04Å; Y357-V393 PolarHBondContact O-N 2.77Å; F360-V393 WeakPolarHBondContact O-CG2 3.49Å; I362-V393 HydrophobicContact CD1-CG1 4.14Å; I362-V393 HydrophobicContact CG1-CG1 4.09Å
394	I	89.9	Confident	77.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.4	176.2	-47.5	179.4	0	0	0	108	L306 V322 Y323 L325 L335 I354 F356 L428	L306-I394 HydrophobicContact CD2-CD1 4.05Å; V322-I394 WeakPolarHBondContact CA-O 3.41Å; Y323-I394 HydrophobicContact CD2-CB 4.41Å; Y323-I394 PolarHBondContact N-O 2.97Å; Y323-I394 PolarHBondContact O-N 3.42Å; L325-I394 HydrophobicContact CD1-CD1 4.1Å; L325-I394 HydrophobicContact CG-CD1 4.46Å; L335-I394 HydrophobicContact CD1-CD1 3.89Å; L335-I394 HydrophobicContact CD1-CG1 4.47Å; I354-I394 HydrophobicContact CD1-CG2 3.7Å; I354-I394 HydrophobicContact CG1-CG2 3.78Å; F356-I394 HydrophobicContact CD1-CB 4.42Å; F356-I394 HydrophobicContact CD1-CD1 4.41Å; F356-I394 HydrophobicContact CD1-CG1 3.92Å; F356-I394 HydrophobicContact CD1-CG2 4.07Å; F356-I394 HydrophobicContact CE1-CB 4.45Å; F356-I394 HydrophobicContact CE1-CD1 4.09Å; F356-I394 HydrophobicContact CE1-CG1 4.03Å; F356-I394 HydrophobicContact CE1-CG2 3.74Å; F356-I394 HydrophobicContact CZ-CG2 4.4Å; I394-L428 HydrophobicContact CD1-CD1 4.38Å; I394-L428 HydrophobicContact CD1-CD2 4.08Å
395	L	88.1	Confident	74.5	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.1	177.8	171	65.8	0	0	0	109.1	L320 V322 F353 I354 Q355 Y357 I362 V397	L320-L395 HydrophobicContact CD1-CD1 3.52Å; V322-L395 HydrophobicContact CG2-CD1 3.62Å; F353-L395 HydrophobicContact CE2-CD2 4.35Å; I354-L395 CarbonylContact C-O 3.53Å; I354-L395 WeakPolarHBondContact CA-O 3.38Å; Q355-L395 HydrophobicContact CB-CB 4.5Å; Q355-L395 PolarHBondContact N-O 2.81Å; Q355-L395 PolarHBondContact O-N 3.31Å; Y357-L395 HydrophobicContact CD2-CB 4.47Å; Y357-L395 HydrophobicContact CE2-CB 3.95Å; Y357-L395 HydrophobicContact CE2-CD2 3.88Å; I362-L395 HydrophobicContact CD1-CB 4.34Å; I362-L395 HydrophobicContact CD1-CD2 4.34Å; L395-V397 HydrophobicContact CD1-CG2 3.88Å; L395-V397 HydrophobicContact CD2-CG2 4.33Å; L395-V397 HydrophobicContact CG-CG2 3.95Å
396	F	86.7	Confident	71.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.9	173.2	175.5	-133.9	0	0	0	109.6	L319 L320 C321 L342 F353 T398 F426	L319-F396 HydrophobicContact CD2-CD1 4.12Å; L319-F396 HydrophobicContact CD2-CE1 3.71Å; L320-F396 WeakPolarHBondContact CA-O 3.22Å; C321-F396 HydrophobicContact CB-CB 4.27Å; C321-F396 HydrophobicContact CB-CD1 4.34Å; C321-F396 PolarHBondContact N-O 2.94Å; C321-F396 PolarHBondContact O-N 2.61Å; L342-F396 HydrophobicContact CD1-CD2 4.4Å; L342-F396 HydrophobicContact CD1-CE2 3.88Å; L342-F396 HydrophobicContact CD2-CE2 3.63Å; L342-F396 HydrophobicContact CD2-CZ 3.97Å; L342-F396 HydrophobicContact CG-CE2 4.44Å; F353-F396 WeakPolarHBondContact O-CD2 3.46Å; F396-T398 HydrophobicContact CE1-CG2 4Å; F396-T398 HydrophobicContact CE2-CG2 3.91Å; F396-T398 HydrophobicContact CZ-CG2 3.52Å; F396-F426 HydrophobicContact CB-CE1 3.9Å; F396-F426 HydrophobicContact CD1-CD1 4.45Å; F396-F426 AromaticContact CD1-CE1 3.77Å; F396-F426 HydrophobicContact CD1-CE1 3.77Å; F396-F426 HydrophobicContact CD2-CD1 4.15Å; F396-F426 AromaticContact CD2-CE1 3.99Å; F396-F426 HydrophobicContact CD2-CE1 3.99Å; F396-F426 HydrophobicContact CE1-CE1 4.23Å; F396-F426 HydrophobicContact CE2-CD1 4.3Å; F396-F426 HydrophobicContact CE2-CE1 4.47Å; F396-F426 HydrophobicContact CG-CD1 4.25Å; F396-F426 AromaticContact CG-CE1 3.63Å; F396-F426 HydrophobicContact CG-CE1 3.63Å; F396-F426 HydrophobicContact CZ-CD1 4.49Å
397	V	84	Confident	69	Low	10 Å²	10	53.8 Å²	53.8	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139	-178.8	-174.8	0	0	0	0	109.2	L319 L320 D352 F353 L395	L319-V397 CarbonylContact O-C 3.52Å; L319-V397 WeakPolarHBondContact O-CA 3.44Å; L320-V397 HydrophobicContact CD1-CG2 3.92Å; D352-V397 CarbonylContact C-O 3.57Å; D352-V397 WeakPolarHBondContact CA-O 2.76Å; F353-V397 HydrophobicContact CD1-CB 4.14Å; F353-V397 HydrophobicContact CE1-CB 3.68Å; F353-V397 HydrophobicContact CE1-CG1 3.96Å; F353-V397 HydrophobicContact CE1-CG2 4.12Å; F353-V397 HydrophobicContact CE2-CB 4.1Å; F353-V397 HydrophobicContact CE2-CG2 3.81Å; F353-V397 HydrophobicContact CZ-CB 3.66Å; F353-V397 HydrophobicContact CZ-CG1 4.18Å; F353-V397 HydrophobicContact CZ-CG2 3.55Å; F353-V397 PolarHBondContact N-O 2.85Å; F353-V397 PolarHBondContact O-N 2.94Å; L395-V397 HydrophobicContact CD1-CG2 3.88Å; L395-V397 HydrophobicContact CD2-CG2 4.33Å; L395-V397 HydrophobicContact CG-CG2 3.95Å
398	T	77.7	Confident	66.1	Low	3 Å²	3	59.8 Å²	59.8	2%	0.018	32%	0.324	C	S	.	.			trans	-122.6	139.7	171.5	77.6	0	0	0	0	109.7	H315 P316 N318 L319 D352 F396	H315-T398 HydrophobicContact CB-CG2 4.34Å; H315-T398 WeakPolarHBondContact CD2-CG2 3.49Å; P316-T398 PolarHBondContact O-OG1 3.24Å; N318-T398 WeakPolarHBondContact CA-O 3.31Å; N318-T398 PolarHBondContact N-O 3Å; N318-T398 VanDerWaalsContact N-O 3.11Å; N318-T398 PolarHBondContact N-OG1 2.03Å; L319-T398 HydrophobicContact CB-CG2 3.9Å; L319-T398 VanDerWaalsContact CB-OG1 3.28Å; L319-T398 WeakPolarHBondContact CB-OG1 3.04Å; L319-T398 HydrophobicContact CD2-CG2 4.42Å; L319-T398 PolarHBondContact N-OG1 3.12Å; L319-T398 PolarHBondContact O-N 3.12Å; D352-T398 WeakPolarHBondContact OD1-CA 3.4Å; F396-T398 HydrophobicContact CE1-CG2 4Å; F396-T398 HydrophobicContact CE2-CG2 3.91Å; F396-T398 HydrophobicContact CZ-CG2 3.52Å
399	G	69.5	Low	63.4	Low	14 Å²	14	65.3 Å²	65.3	14%	0.144	35%	0.352	C	S	.	.			trans	-116.8	142.2	-169.3	0	0	0	0	0	113.3	D352 I401	D352-G399 PolarHBondContact OD1-N 2.88Å; G399-I401 PolarHBondContact O-N 3.42Å
400	Q	61.4	Low	60.7	Low	124 Å²	124	72.7 Å²	72.7	58%	0.579	38%	0.376	S	S	*	.			trans	-54.8	127.5	-178.8	-155.9	179.6	27.2	0	0	112.9	N318 K351 Q402	N318-Q400 PolarHBondContact OD1-N 2.83Å; K351-Q400 PolarHBondContact NZ-O 3.07Å; Q400-Q402 VanDerWaalsContact C-N 3.33Å; Q400-Q402 PolarHBondContact O-N 2.91Å
401	I	52.1	Low	57.9	Low	66 Å²	66	81.8 Å²	81.8	34%	0.338	41%	0.411	S	S	.	.			trans	-76.1	85	174.1	-47.7	164.3	0	0	0	109.2	G399 L403	G399-I401 PolarHBondContact O-N 3.42Å; I401-L403 PolarHBondContact O-N 3.19Å
402	Q	45.9	Very low	55	Low	135 Å²	135	87.6 Å²	87.6	63%	0.631	44%	0.441	S	S	*	.			trans	-55.2	103.6	158.1	-73.1	-175.2	-1.4	0	0	109.2	Q400 L404	Q400-Q402 VanDerWaalsContact C-N 3.33Å; Q400-Q402 PolarHBondContact O-N 2.91Å; Q402-L404 PolarHBondContact O-N 3.01Å
403	L	38.8	Very low	52.1	Low	93 Å²	93	95.2 Å²	95.2	49%	0.487	48%	0.482	S	S	.	.			trans	-68.5	124.4	167.9	-76.9	149.6	0	0	0	108.1	I401 N405 M416	I401-L403 PolarHBondContact O-N 3.19Å; L403-N405 PolarHBondContact O-N 2.88Å; L403-M416 HydrophobicContact CD1-CE 3.78Å; L403-M416 HydrophobicContact CD1-SD 3.85Å; L403-M416 HydrophobicContact CD2-CE 4.48Å; L403-M416 HydrophobicContact CD2-SD 4.09Å
404	L	32.9	Very low	49.2	Very low	176 Å²	176	101.1 Å²	101.1	92%	0.921	52%	0.518	S	S	*	.			trans	-71.2	82.4	175.3	-90.2	157.1	0	0	0	109.7	Q402 H406	Q402-L404 PolarHBondContact O-N 3.01Å; L404-H406 PolarHBondContact O-N 2.8Å
405	N	29.3	Very low	46.4	Very low	123 Å²	123	106.9 Å²	106.9	66%	0.658	55%	0.553	S	S	*	*			trans	-64.9	79.2	170.7	-79.1	-16.8	0	0	0	110	L403 V407	L403-N405 PolarHBondContact O-N 2.88Å; N405-V407 HydrophobicContact CB-CG2 4.46Å; N405-V407 PolarHBondContact O-N 2.96Å
406	H	29.9	Very low	43.9	Very low	153 Å²	153	111 Å²	111	71%	0.708	57%	0.573	S	S	*	*			trans	-75.6	75.2	173.1	-159	-39.6	0	0	0	109.6	L404 N408	L404-H406 PolarHBondContact O-N 2.8Å; H406-N408 PolarHBondContact O-N 2.88Å
407	V	31.2	Very low	41.3	Very low	114 Å²	114	116.6 Å²	116.6	69%	0.691	60%	0.603	S	S	*	*			trans	-58.9	105.5	-179.3	-179.1	0	0	0	0	109.8	N405	N405-V407 HydrophobicContact CB-CG2 4.46Å; N405-V407 PolarHBondContact O-N 2.96Å
408	N	32	Very low	38.9	Very low	127 Å²	127	119.2 Å²	119.2	68%	0.679	63%	0.625	S	S	*	*			trans	-116.3	123.6	169.1	-90.2	-40.9	0	0	0	108.4	H406 K410	H406-N408 PolarHBondContact O-N 2.88Å; N408-K410 PolarHBondContact O-N 3.47Å
409	N	31	Very low	37.1	Very low	156 Å²	156	124.7 Å²	124.7	83%	0.834	65%	0.654	S	S	*	*			trans	-69.6	96	-170.5	-75.5	-49	0	0	0	113
410	K	33.2	Very low	35.6	Very low	184 Å²	184	129.5 Å²	129.5	80%	0.8	69%	0.686	S	S	*	*	S	Bend	trans	-156.8	157.4	154.3	-112.9	167.6	-174.6	178.4	0	111.5	N408 D412	N408-K410 PolarHBondContact O-N 3.47Å; K410-D412 VanDerWaalsContact C-N 3.33Å; K410-D412 PolarHBondContact O-N 2.99Å
411	K	29.6	Very low	35	Very low	212 Å²	212	126.7 Å²	126.7	92%	0.922	68%	0.677	S	S	*	*	S	Bend	trans	-78.4	78.5	177.8	-71.9	-177.4	172.4	-175.1	0	110.6
412	D	30.2	Very low	35	Very low	132 Å²	132	130.8 Å²	130.8	71%	0.706	69%	0.688	S	S	*	*	S	Bend	trans	-138.7	147.1	168	-74.7	-68	0	0	0	109	K410 V414	K410-D412 VanDerWaalsContact C-N 3.33Å; K410-D412 PolarHBondContact O-N 2.99Å; D412-V414 PolarHBondContact O-N 2.75Å
413	N	30.3	Very low	35.8	Very low	160 Å²	160	125.3 Å²	125.3	86%	0.856	66%	0.662	S	S	*	*			trans	-66	130.7	-170.4	-64	-27.7	0	0	0	111.3	V415	N413-V415 PolarHBondContact O-N 3.29Å
414	V	29.5	Very low	37.3	Very low	126 Å²	126	123.7 Å²	123.7	76%	0.764	65%	0.649	S	S	*	*			trans	-69.8	102.3	-175.4	-179.8	0	0	0	0	110.1	D412 M416	D412-V414 PolarHBondContact O-N 2.75Å; V414-M416 PolarHBondContact O-N 2.91Å; V414-M416 VanDerWaalsContact O-N 3.1Å
415	V	31.8	Very low	39.4	Very low	121 Å²	121	115.3 Å²	115.3	73%	0.733	61%	0.605	S	S	*	*			trans	-69.4	105.6	178.7	179.3	0	0	0	0	109.9	N413 N417	N413-V415 PolarHBondContact O-N 3.29Å; V415-N417 PolarHBondContact O-N 2.68Å
416	M	35.3	Very low	42	Very low	103 Å²	103	109.5 Å²	109.5	51%	0.507	57%	0.574	S	S	.	*			trans	-61	102.1	164.5	-78.5	-77	-86.2	0	0	108.9	P118 L403 V414 A418	P118-M416 HydrophobicContact CG-CB 4.27Å; P118-M416 VanDerWaalsContact CG-O 3.26Å; P118-M416 WeakPolarHBondContact CG-O 3.5Å; L403-M416 HydrophobicContact CD1-CE 3.78Å; L403-M416 HydrophobicContact CD1-SD 3.85Å; L403-M416 HydrophobicContact CD2-CE 4.48Å; L403-M416 HydrophobicContact CD2-SD 4.09Å; V414-M416 PolarHBondContact O-N 2.91Å; V414-M416 VanDerWaalsContact O-N 3.1Å; M416-A418 PolarHBondContact O-N 3.44Å
417	N	31.9	Very low	44.6	Very low	117 Å²	117	106 Å²	106	63%	0.626	56%	0.555	S	S	*	*			trans	-79.6	74.2	-178	-146.9	3.6	0	0	0	109.5	V415 L419	V415-N417 PolarHBondContact O-N 2.68Å; N417-L419 HydrophobicContact CB-CD1 4.44Å; N417-L419 PolarHBondContact O-N 3.08Å
418	A	34.3	Very low	47.2	Very low	64 Å²	64	100.7 Å²	100.7	53%	0.529	52%	0.522	S	S	.	.			trans	-69.6	70.7	-179.3	0	0	0	0	0	111.2	P118 M416 S420	P118-A418 HydrophobicContact CB-CB 3.71Å; P118-A418 HydrophobicContact CG-CB 3.84Å; M416-A418 PolarHBondContact O-N 3.44Å; A418-S420 VanDerWaalsContact C-N 3.31Å; A418-S420 PolarHBondContact O-N 3.04Å
419	L	38.7	Very low	49.9	Very low	118 Å²	118	99.7 Å²	99.7	62%	0.618	51%	0.509	S	S	*	.			trans	-69	81.4	-175.1	-79.7	154.1	0	0	0	112	N417 T421	N417-L419 HydrophobicContact CB-CD1 4.44Å; N417-L419 PolarHBondContact O-N 3.08Å; L419-T421 VanDerWaalsContact C-N 3.29Å; L419-T421 PolarHBondContact O-N 2.83Å
420	S	39.6	Very low	52.8	Low	116 Å²	116	92.7 Å²	92.7	81%	0.811	47%	0.471	S	S	*	.			trans	40	41.1	143	71.3	0	0	0	0	117.9	A418	A418-S420 VanDerWaalsContact C-N 3.31Å; A418-S420 PolarHBondContact O-N 3.04Å
421	T	47.2	Very low	55.6	Low	65 Å²	65	84.9 Å²	84.9	40%	0.399	44%	0.439	S	S	.	.			trans	-104.3	107.5	173.1	41.3	0	0	0	0	109.6	Y343 L419 R423	Y343-T421 HydrophobicContact CD2-CG2 4.35Å; L419-T421 VanDerWaalsContact C-N 3.29Å; L419-T421 PolarHBondContact O-N 2.83Å; T421-R423 PolarHBondContact O-N 2.87Å
422	R	52.7	Low	58.5	Low	151 Å²	151	74.8 Å²	74.8	57%	0.57	40%	0.395	S	S	*	.			trans	-75.6	75	170.5	-82.6	-175.1	160.1	-173.7	-7.1	108.7	N192 D341 R424	N192-R422 PolarHBondContact OD1-NH2 3.49Å; N192-R422 VanDerWaalsContact OD1-NH2 3.09Å; D341-R422 VanDerWaalsContact OD2-O 3.08Å; R422-R424 HydrophobicContact CB-CG 4.33Å; R422-R424 WeakPolarHBondContact O-CG 3.31Å; R422-R424 PolarHBondContact O-N 2.8Å
423	R	63.6	Low	61.2	Low	20 Å²	20	68.9 Å²	68.9	8%	0.075	36%	0.363	C	S	.	.			trans	-66.3	85.3	174.7	-61.8	-171.4	-165.5	-156.1	6.6	109.8	G313 Y314 D341 Y343 D352 T421	G313-R423 CarbonylContact C-O 3.29Å; Y314-R423 HydrophobicContact CD1-CB 4.2Å; Y314-R423 HydrophobicContact CE1-CB 4.36Å; D341-R423 WeakPolarHBondContact O-CA 3.25Å; Y343-R423 VanDerWaalsContact CD2-NH2 3.32Å; D352-R423 IonicContact OD1-NH1 3.59Å; D352-R423 IonicContact OD2-CZ 3.28Å; D352-R423 IonicContact OD2-NH1 2.94Å; D352-R423 PolarHBondContact OD2-NH1 2.55Å; T421-R423 PolarHBondContact O-N 2.87Å
424	R	69.4	Low	63.8	Low	60 Å²	60	66.4 Å²	66.4	23%	0.226	35%	0.345	C	S	.	.			trans	-82	-20.3	-178	-68.5	174.6	-65.3	129.8	6.9	111.5	Y311 G313 D339 D341 H379 R422	Y311-R424 WeakPolarHBondContact CA-O 3.36Å; Y311-R424 WeakPolarHBondContact CB-O 3.18Å; Y311-R424 HydrophobicContact CD2-CB 4.44Å; Y311-R424 WeakPolarHBondContact CD2-O 3.39Å; G313-R424 PolarHBondContact N-O 2.97Å; D339-R424 IonicContact OD1-CZ 2.74Å; D339-R424 VanDerWaalsContact OD1-CZ 3.28Å; D339-R424 IonicContact OD1-NH1 2.74Å; D339-R424 PolarHBondContact OD1-NH1 2.95Å; D339-R424 IonicContact OD1-NH2 3.15Å; D339-R424 PolarHBondContact OD1-NH2 2.93Å; D339-R424 IonicContact OD2-CZ 2.96Å; D339-R424 IonicContact OD2-NH1 3.63Å; D339-R424 PolarHBondContact OD2-NH1 3.01Å; D341-R424 HydrophobicContact CB-CB 4.04Å; D341-R424 PolarHBondContact O-N 3.15Å; D341-R424 IonicContact OD2-CZ 3.37Å; D341-R424 IonicContact OD2-NE 2.65Å; D341-R424 PolarHBondContact OD2-NE 2.92Å; D341-R424 IonicContact OD2-NH2 3.88Å; D341-R424 PolarHBondContact OD2-NH2 2.96Å; H379-R424 PolarHBondContact NE2-NH2 3.02Å; R422-R424 HydrophobicContact CB-CG 4.33Å; R422-R424 WeakPolarHBondContact O-CG 3.31Å; R422-R424 PolarHBondContact O-N 2.8Å
425	G	76.7	Confident	66.3	Low	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.8	-140	-174.3	0	0	0	0	0	111.5	S308 D341	S308-G425 WeakPolarHBondContact OG-CA 3.27Å; D341-G425 PolarHBondContact N-O 2.85Å
426	F	83.9	Confident	68.8	Low	1 Å²	1	61.6 Å²	61.6	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.2	172.2	71.7	-101.7	0	0	0	112.6	L306 S308 Y323 D339 I340 I354 F396 L428	L306-F426 HydrophobicContact CD2-CE2 4.34Å; L306-F426 HydrophobicContact CG-CE2 4.45Å; S308-F426 PolarHBondContact N-O 3.36Å; S308-F426 PolarHBondContact OG-N 2.97Å; S308-F426 PolarHBondContact OG-O 3.38Å; Y323-F426 AromaticContact CE2-CZ 3.88Å; Y323-F426 HydrophobicContact CE2-CZ 3.88Å; D339-F426 CarbonylContact O-C 3.53Å; D339-F426 WeakPolarHBondContact O-CA 3.42Å; I340-F426 HydrophobicContact CB-CB 4.4Å; I340-F426 HydrophobicContact CG1-CB 4.18Å; I354-F426 HydrophobicContact CD1-CD1 3.87Å; I354-F426 HydrophobicContact CD1-CD2 4.22Å; I354-F426 HydrophobicContact CD1-CE1 3.85Å; I354-F426 HydrophobicContact CD1-CE2 4.22Å; I354-F426 HydrophobicContact CD1-CG 4.08Å; I354-F426 HydrophobicContact CD1-CZ 4.05Å; F396-F426 HydrophobicContact CB-CE1 3.9Å; F396-F426 HydrophobicContact CD1-CD1 4.45Å; F396-F426 AromaticContact CD1-CE1 3.77Å; F396-F426 HydrophobicContact CD1-CE1 3.77Å; F396-F426 HydrophobicContact CD2-CD1 4.15Å; F396-F426 AromaticContact CD2-CE1 3.99Å; F396-F426 HydrophobicContact CD2-CE1 3.99Å; F396-F426 HydrophobicContact CE1-CE1 4.23Å; F396-F426 HydrophobicContact CE2-CD1 4.3Å; F396-F426 HydrophobicContact CE2-CE1 4.47Å; F396-F426 HydrophobicContact CG-CD1 4.25Å; F396-F426 AromaticContact CG-CE1 3.63Å; F396-F426 HydrophobicContact CG-CE1 3.63Å; F396-F426 HydrophobicContact CZ-CD1 4.49Å; F426-L428 HydrophobicContact CD2-CD2 3.99Å; F426-L428 HydrophobicContact CD2-CG 4.33Å; F426-L428 HydrophobicContact CE2-CD2 3.86Å; F426-L428 HydrophobicContact CE2-CG 4.29Å
427	R	83.7	Confident	71.1	Confident	80 Å²	80	57 Å²	57	30%	0.302	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.4	166.4	175.3	177.8	174.2	-137.5	0.1	109.2	E305 I307 Y311 L338 D339	E305-R427 IonicContact OE1-CZ 3.5Å; E305-R427 IonicContact OE1-NH2 3.21Å; E305-R427 PolarHBondContact OE1-NH2 3.47Å; E305-R427 IonicContact OE2-CZ 3.64Å; E305-R427 IonicContact OE2-NE 2.56Å; E305-R427 PolarHBondContact OE2-NE 2.79Å; E305-R427 IonicContact OE2-NH2 2.9Å; E305-R427 PolarHBondContact OE2-NH2 2.8Å; I307-R427 HydrophobicContact CG1-CG 4.21Å; Y311-R427 HydrophobicContact CD2-CB 4.43Å; Y311-R427 HydrophobicContact CE1-CB 4.01Å; Y311-R427 HydrophobicContact CE2-CB 3.89Å; L338-R427 HydrophobicContact CB-CG 4.43Å; L338-R427 WeakPolarHBondContact CB-O 3.18Å; L338-R427 HydrophobicContact CD1-CG 4.31Å; L338-R427 PolarHBondContact N-O 2.89Å; D339-R427 HydrophobicContact CB-CB 4.4Å; D339-R427 PolarHBondContact N-O 2.65Å; D339-R427 VanDerWaalsContact N-O 3.15Å; D339-R427 PolarHBondContact O-N 3.22Å
428	L	87.8	Confident	73.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.1	178.1	67.1	84.5	0	0	0	111.5	E305 L306 L335 D336 I354 F356 I394 F426	E305-L428 CarbonylContact C-O 3.53Å; E305-L428 WeakPolarHBondContact CA-O 3.39Å; L306-L428 HydrophobicContact CB-CD1 3.71Å; L306-L428 HydrophobicContact CB-CG 4.02Å; L306-L428 HydrophobicContact CD2-CD1 4.3Å; L306-L428 HydrophobicContact CD2-CD2 4.43Å; L306-L428 HydrophobicContact CD2-CG 4.49Å; L306-L428 PolarHBondContact N-O 2.89Å; L306-L428 PolarHBondContact O-N 2.83Å; L335-L428 HydrophobicContact CD2-CD1 4.26Å; D336-L428 CarbonylContact O-C 3.48Å; D336-L428 WeakPolarHBondContact O-CA 3.13Å; D336-L428 WeakPolarHBondContact O-CB 3.37Å; I354-L428 HydrophobicContact CD1-CD2 4.22Å; F356-L428 HydrophobicContact CE1-CD2 4.38Å; I394-L428 HydrophobicContact CD1-CD1 4.38Å; I394-L428 HydrophobicContact CD1-CD2 4.08Å; F426-L428 HydrophobicContact CD2-CD2 3.99Å; F426-L428 HydrophobicContact CD2-CG 4.33Å; F426-L428 HydrophobicContact CE2-CD2 3.86Å; F426-L428 HydrophobicContact CE2-CG 4.29Å
429	R	88.7	Confident	75.4	Confident	107 Å²	107	52.4 Å²	52.4	40%	0.404	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.2	173.7	179.9	174.6	65.1	-167.5	1.4	108.9	G304 E305 L335 D336 L338	G304-R429 CarbonylContact O-C 3.59Å; G304-R429 WeakPolarHBondContact O-CA 3.16Å; G304-R429 WeakPolarHBondContact O-CG 3.37Å; E305-R429 HydrophobicContact CG-CB 4.37Å; E305-R429 HydrophobicContact CG-CG 4.48Å; L335-R429 CarbonylContact C-O 3.56Å; L335-R429 VanDerWaalsContact CA-O 3.29Å; L335-R429 WeakPolarHBondContact CA-O 3.31Å; D336-R429 HydrophobicContact CB-CB 4.35Å; D336-R429 PolarHBondContact N-O 2.75Å; D336-R429 PolarHBondContact O-N 2.81Å; D336-R429 IonicContact OD2-CZ 3.15Å; D336-R429 IonicContact OD2-NE 2.66Å; D336-R429 PolarHBondContact OD2-NE 2.97Å; D336-R429 IonicContact OD2-NH2 3.33Å; D336-R429 PolarHBondContact OD2-NH2 3.33Å; L338-R429 HydrophobicContact CD1-CB 4.12Å; L338-R429 HydrophobicContact CD2-CB 4.44Å; L338-R429 HydrophobicContact CG-CB 4.32Å
430	Y	91.2	Very high	77	Confident	8 Å²	8	49.8 Å²	49.8	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.6	172.3	62.3	-94.1	0	0	0	110.5	P243 I282 I287 S303 G304 L306 L325 S334 L335 F432	P243-Y430 WeakPolarHBondContact CB-OH 3.35Å; P243-Y430 HydrophobicContact CG-CE1 4.06Å; I282-Y430 HydrophobicContact CD1-CE1 4.17Å; I282-Y430 HydrophobicContact CG2-CE2 4.03Å; I287-Y430 HydrophobicContact CD1-CE2 4.22Å; S303-Y430 CarbonylContact C-O 3.5Å; S303-Y430 VanDerWaalsContact CA-O 3.22Å; S303-Y430 WeakPolarHBondContact CA-O 3.46Å; G304-Y430 VanDerWaalsContact C-CE1 3.47Å; G304-Y430 PolarHBondContact N-O 2.89Å; G304-Y430 WeakPolarHBondContact O-CD1 3.02Å; G304-Y430 PolarHBondContact O-N 2.8Å; L306-Y430 HydrophobicContact CB-CD1 4.45Å; L325-Y430 HydrophobicContact CD1-CG 4.4Å; S334-Y430 CarbonylContact O-C 3.55Å; S334-Y430 WeakPolarHBondContact O-CA 3.46Å; L335-Y430 VanDerWaalsContact CD2-CB 3.41Å; Y430-F432 HydrophobicContact CD2-CD2 4.26Å; Y430-F432 AromaticContact CD2-CE2 3.74Å; Y430-F432 HydrophobicContact CD2-CE2 3.74Å; Y430-F432 HydrophobicContact CD2-CZ 4.26Å; Y430-F432 HydrophobicContact CE2-CD2 4.41Å; Y430-F432 AromaticContact CE2-CE2 3.71Å; Y430-F432 HydrophobicContact CE2-CE2 3.71Å; Y430-F432 HydrophobicContact CE2-CZ 4.43Å
431	T	91	Very high	78.4	Confident	20 Å²	20	53.8 Å²	53.8	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	119.8	172.3	-63.6	0	0	0	0	110.6	E301 I302 S303 S334 T433	E301-T431 HydrophobicContact CB-CG2 4.34Å; I302-T431 CarbonylContact O-C 3.52Å; I302-T431 WeakPolarHBondContact O-CA 3.35Å; S303-T431 WeakPolarHBondContact CB-OG1 3.48Å; S303-T431 WeakPolarHBondContact OG-CG2 3.33Å; S303-T431 PolarHBondContact OG-OG1 2.91Å; S334-T431 PolarHBondContact N-O 3.35Å; S334-T431 PolarHBondContact O-N 2.88Å; T431-T433 HydrophobicContact CG2-CG2 4.45Å
432	F	90.5	Very high	79.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.7	165.9	-53.6	-78	0	0	0	108.2	I282 A284 I287 E301 I302 L325 I326 I333 Y430	I282-F432 HydrophobicContact CG2-CE2 4.34Å; I282-F432 HydrophobicContact CG2-CZ 4.26Å; A284-F432 HydrophobicContact CB-CD1 4.41Å; A284-F432 HydrophobicContact CB-CD2 3.92Å; A284-F432 HydrophobicContact CB-CE2 4.11Å; A284-F432 HydrophobicContact CB-CG 4.08Å; A284-F432 HydrophobicContact CB-CZ 4.45Å; I287-F432 HydrophobicContact CD1-CE2 4.13Å; E301-F432 WeakPolarHBondContact CA-O 3.21Å; I302-F432 HydrophobicContact CB-CB 4.4Å; I302-F432 HydrophobicContact CB-CD2 4.15Å; I302-F432 HydrophobicContact CG2-CD2 4.13Å; I302-F432 PolarHBondContact N-O 3.45Å; I302-F432 WeakPolarHBondContact O-CD2 3.45Å; I302-F432 PolarHBondContact O-N 3.38Å; L325-F432 HydrophobicContact CB-CE1 4.31Å; L325-F432 HydrophobicContact CB-CZ 4.34Å; I326-F432 VanDerWaalsContact C-CE1 3.47Å; I333-F432 HydrophobicContact CD1-CD1 4.28Å; I333-F432 HydrophobicContact CD1-CE1 3.9Å; I333-F432 HydrophobicContact CG1-CD1 3.75Å; I333-F432 HydrophobicContact CG1-CE1 3.87Å; Y430-F432 HydrophobicContact CD2-CD2 4.26Å; Y430-F432 AromaticContact CD2-CE2 3.74Å; Y430-F432 HydrophobicContact CD2-CE2 3.74Å; Y430-F432 HydrophobicContact CD2-CZ 4.26Å; Y430-F432 HydrophobicContact CE2-CD2 4.41Å; Y430-F432 AromaticContact CE2-CE2 3.71Å; Y430-F432 HydrophobicContact CE2-CE2 3.71Å; Y430-F432 HydrophobicContact CE2-CZ 4.43Å
433	T	87.9	Confident	80.8	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.8	-178.7	179.1	0	0	0	0	112.1	E301 Q331 R332 T431 R435 L436	E301-T433 WeakPolarHBondContact CG-OG1 3.31Å; E301-T433 WeakPolarHBondContact OE1-CB 3.24Å; E301-T433 PolarHBondContact OE1-OG1 2.87Å; Q331-T433 WeakPolarHBondContact CA-O 3.2Å; R332-T433 PolarHBondContact N-O 3Å; R332-T433 PolarHBondContact O-N 2.97Å; T431-T433 HydrophobicContact CG2-CG2 4.45Å; T433-R435 PolarHBondContact OG1-N 3.03Å; T433-R435 VanDerWaalsContact OG1-N 3.15Å; T433-L436 HydrophobicContact CG2-CD1 3.58Å; T433-L436 HydrophobicContact CG2-CG 3.79Å
434	K	85.1	Confident	81.3	Confident	108 Å²	108	49.9 Å²	49.9	47%	0.47	24%	0.243	S	C	.	.	S	Bend	trans	-92.7	2.1	173.7	75	-176.9	-167	-165.3	0	113.6	D300	D300-K434 WeakPolarHBondContact OD1-CE 3.49Å; D300-K434 IonicContact OD1-NZ 3.24Å; D300-K434 PolarHBondContact OD1-NZ 3.41Å; D300-K434 WeakPolarHBondContact OD2-CE 3.45Å; D300-K434 IonicContact OD2-NZ 3.06Å; D300-K434 PolarHBondContact OD2-NZ 2.89Å
435	R	81.3	Confident	81.9	Confident	135 Å²	135	47.5 Å²	47.5	51%	0.509	24%	0.237	S	C	.	.			trans	-83.5	-22.6	-176.1	-65.8	-170	-173.5	133.2	12.3	114.4	E301 T433	E301-R435 WeakPolarHBondContact OE1-CD 3.34Å; E301-R435 IonicContact OE1-CZ 2.69Å; E301-R435 IonicContact OE1-NE 2.6Å; E301-R435 IonicContact OE1-NH1 2.77Å; E301-R435 PolarHBondContact OE1-NH1 2.71Å; E301-R435 IonicContact OE2-CZ 3.07Å; E301-R435 IonicContact OE2-NH1 2.64Å; E301-R435 PolarHBondContact OE2-NH1 2.94Å; E301-R435 IonicContact OE2-NH2 2.78Å; E301-R435 PolarHBondContact OE2-NH2 3.22Å; T433-R435 PolarHBondContact OG1-N 3.03Å; T433-R435 VanDerWaalsContact OG1-N 3.15Å
436	L	84.3	Confident	82.3	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.063	26%	0.261	C	S	.	.	S	Bend	trans	-66.9	140.6	177.9	-66.2	161.8	0	0	0	110	R332 V386 T433 E452	R332-L436 HydrophobicContact CB-CB 4.08Å; R332-L436 HydrophobicContact CB-CD1 3.55Å; R332-L436 HydrophobicContact CB-CG 4.47Å; V386-L436 HydrophobicContact CG1-CD1 3.58Å; V386-L436 HydrophobicContact CG1-CD2 4.03Å; V386-L436 HydrophobicContact CG1-CG 4.33Å; T433-L436 HydrophobicContact CG2-CD1 3.58Å; T433-L436 HydrophobicContact CG2-CG 3.79Å; L436-E452 HydrophobicContact CD2-CB 4.36Å; L436-E452 HydrophobicContact CD2-CG 3.79Å
437	L	82.9	Confident	82.5	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-58.3	146.5	179.7	-66.5	176.1	0	0	0	112.2	R332 C453 T471 F476 L478	R332-L437 VanDerWaalsContact CD-O 3.31Å; R332-L437 WeakPolarHBondContact CD-O 3.27Å; R332-L437 PolarHBondContact NH1-O 2.73Å; L437-C453 HydrophobicContact CD1-CB 3.83Å; L437-T471 HydrophobicContact CD1-CG2 4.42Å; L437-T471 HydrophobicContact CD2-CG2 3.91Å; L437-F476 HydrophobicContact CD2-CB 3.67Å; L437-F476 HydrophobicContact CD2-CG 4.35Å; L437-L478 HydrophobicContact CD1-CD1 4.05Å
438	P	78.2	Confident	82.7	Confident	39 Å²	39	51.5 Å²	51.5	25%	0.253	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-68.9	137.2	173.3	30.2	-35.8	0	0	0	110.8	N440 F476	P438-N440 PolarHBondContact O-N 2.84Å; P438-F476 HydrophobicContact CG-CD2 3.67Å; P438-F476 HydrophobicContact CG-CE2 3.63Å; P438-F476 HydrophobicContact CG-CG 4.5Å; P438-F476 HydrophobicContact CG-CZ 4.39Å
439	V	79.7	Confident	82.6	Confident	46 Å²	46	57 Å²	57	28%	0.279	28%	0.282	S	S	.	.			trans	-85.6	107	171.2	-176.4	0	0	0	0	108.3	R332 T388 H447	R332-V439 VanDerWaalsContact CZ-CG2 3.46Å; T388-V439 HydrophobicContact CG2-CG1 4.42Å; T388-V439 HydrophobicContact CG2-CG2 4.31Å; V439-H447 HydrophobicContact CG1-CB 3.82Å
440	N	71.3	Confident	82.4	Confident	62 Å²	62	52.4 Å²	52.4	33%	0.332	27%	0.268	S	S	.	.			trans	-104.3	143.3	174	-64.3	-30.5	0	0	0	109.1	P438 V442	P438-N440 PolarHBondContact O-N 2.84Å; N440-V442 PolarHBondContact O-N 2.76Å; N440-V442 VanDerWaalsContact O-N 3.1Å
441	E	70.1	Confident	82.3	Confident	201 Å²	201	53.4 Å²	53.4	94%	0.939	28%	0.275	S	S	*	.			trans	-73.9	100.3	170.7	-65.4	-169.8	161.4	0	0	109.4
442	V	73.4	Confident	82	Confident	20 Å²	20	53.2 Å²	53.2	12%	0.121	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-87.8	126.8	179.4	-175.6	0	0	0	0	109.8	N440 G444 G445 Y455 F467 P470	N440-V442 PolarHBondContact O-N 2.76Å; N440-V442 VanDerWaalsContact O-N 3.1Å; V442-G444 PolarHBondContact O-N 3.11Å; V442-G445 PolarHBondContact O-N 2.83Å; V442-G445 VanDerWaalsContact O-N 3.16Å; V442-Y455 HydrophobicContact CB-CE1 4.49Å; V442-Y455 HydrophobicContact CG2-CE1 4.06Å; V442-F467 HydrophobicContact CB-CE2 3.94Å; V442-F467 HydrophobicContact CB-CZ 4.46Å; V442-F467 HydrophobicContact CG1-CD2 3.77Å; V442-F467 HydrophobicContact CG1-CE2 3.44Å; V442-F467 VanDerWaalsContact CG1-CE2 3.44Å; V442-F467 HydrophobicContact CG1-CZ 4.04Å; V442-P470 HydrophobicContact CG2-CG 4.25Å
443	P	75.9	Confident	81.9	Confident	110 Å²	110	53.4 Å²	53.4	71%	0.714	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	123.3	175.2	-27.9	35.9	0	0	0	112.3
444	G	74.1	Confident	82	Confident	24 Å²	24	54.2 Å²	54.2	25%	0.247	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-9.2	177.7	0	0	0	0	0	116.5	V442	V442-G444 PolarHBondContact O-N 3.11Å
445	G	81.7	Confident	82.3	Confident	10 Å²	10	49.2 Å²	49.2	10%	0.103	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-130.7	130.8	178.7	0	0	0	0	0	114	V442	V442-G445 PolarHBondContact O-N 2.83Å; V442-G445 VanDerWaalsContact O-N 3.16Å
446	E	86.7	Confident	82.7	Confident	108 Å²	108	43.3 Å²	43.3	51%	0.505	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.5	176.5	-65.4	173.5	-144.8	0	0	110.7	Y455 V456 K458	E446-Y455 CarbonylContact O-C 3.51Å; E446-Y455 WeakPolarHBondContact O-CA 3.49Å; E446-V456 PolarHBondContact N-O 2.9Å; E446-V456 PolarHBondContact O-N 3.4Å; E446-K458 IonicContact OE1-NZ 3.35Å; E446-K458 PolarHBondContact OE1-NZ 3.47Å; E446-K458 IonicContact OE2-NZ 3.01Å; E446-K458 PolarHBondContact OE2-NZ 3.04Å
447	H	88.1	Confident	83	Confident	26 Å²	26	42.8 Å²	42.8	12%	0.12	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	134.7	174.7	178.3	-94.1	0	0	0	112	V439 R449 T451 D454 Y455	V439-H447 HydrophobicContact CG1-CB 3.82Å; H447-R449 PolarHBondContact O-N 3.13Å; H447-T451 PolarHBondContact CE1-O 3.04Å; H447-T451 PolarHBondContact NE2-O 3.04Å; H447-D454 WeakPolarHBondContact CA-O 3.3Å; H447-D454 PolarHBondContact CD2-O 2.9Å; H447-Y455 HydrophobicContact CB-CD1 4.13Å; H447-Y455 HydrophobicContact CB-CE1 3.75Å; H447-Y455 AromaticContact CD2-CE2 3.73Å; H447-Y455 AromaticContact CD2-CZ 3.73Å
448	V	86.4	Confident	83.2	Confident	30 Å²	30	45.5 Å²	45.5	18%	0.182	24%	0.244	C	C	.	.			trans	-79.7	106.5	178.2	-172.5	0	0	0	0	109.8	G450 T451 D454 V456 I1270	V448-G450 PolarHBondContact O-N 3.16Å; V448-T451 HydrophobicContact CB-CG2 3.88Å; V448-T451 HydrophobicContact CG1-CG2 3.8Å; V448-T451 WeakPolarHBondContact O-CB 3.4Å; V448-T451 PolarHBondContact O-N 2.89Å; V448-T451 VanDerWaalsContact O-N 3.09Å; V448-T451 PolarHBondContact O-OG1 3.15Å; V448-D454 HydrophobicContact CB-CB 4.05Å; V448-D454 HydrophobicContact CG2-CB 3.97Å; V448-D454 PolarHBondContact N-O 2.84Å; V448-V456 HydrophobicContact CG2-CG2 3.63Å; V448-I1270 HydrophobicContact CG2-CD1 4.48Å
449	R	86	Confident	83.6	Confident	116 Å²	116	44.2 Å²	44.2	44%	0.438	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	136.4	174.1	-66.2	-170.5	174.3	75.6	10	110.7	D358 R369 I372 T388 H447	D358-R449 IonicContact OD2-NE 2.68Å; R369-R449 WeakPolarHBondContact O-CD 3.31Å; R369-R449 PolarHBondContact O-NE 3.03Å; R369-R449 VanDerWaalsContact O-NE 3.13Å; R369-R449 PolarHBondContact O-NH1 2.81Å; R369-R449 VanDerWaalsContact O-NH1 3.12Å; I372-R449 HydrophobicContact CG1-CB 4.27Å; T388-R449 HydrophobicContact CG2-CG 3.95Å; H447-R449 PolarHBondContact O-N 3.13Å
450	G	85.3	Confident	83.4	Confident	12 Å²	12	47.4 Å²	47.4	12%	0.124	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	93.5	-11.7	-172.4	0	0	0	0	0	114.9	V386 V448	V386-G450 PolarHBondContact N-O 2.8Å; V386-G450 CarbonylContact O-C 3.48Å; V386-G450 WeakPolarHBondContact O-CA 3.21Å; V386-G450 PolarHBondContact O-N 2.78Å; V448-G450 PolarHBondContact O-N 3.16Å
451	T	87.9	Confident	83.4	Confident	28 Å²	28	46.1 Å²	46.1	17%	0.172	25%	0.249	C	C	.	.	S	Bend	trans	-105.1	162.3	178.4	75.8	0	0	0	0	112.2	R332 H447 V448 D454	R332-T451 PolarHBondContact NH2-O 3.48Å; H447-T451 PolarHBondContact CE1-O 3.04Å; H447-T451 PolarHBondContact NE2-O 3.04Å; V448-T451 HydrophobicContact CB-CG2 3.88Å; V448-T451 HydrophobicContact CG1-CG2 3.8Å; V448-T451 WeakPolarHBondContact O-CB 3.4Å; V448-T451 PolarHBondContact O-N 2.89Å; V448-T451 VanDerWaalsContact O-N 3.09Å; V448-T451 PolarHBondContact O-OG1 3.15Å; T451-D454 HydrophobicContact CG2-CB 3.93Å; T451-D454 WeakPolarHBondContact OG1-CB 3.39Å; T451-D454 PolarHBondContact OG1-N 3.28Å; T451-D454 VanDerWaalsContact OG1-N 3.08Å
452	E	86.3	Confident	83.2	Confident	16 Å²	16	40.8 Å²	40.8	8%	0.075	23%	0.234	C	C	.	.	S	Bend	trans	-72.5	-39.9	173.8	-177.1	168.4	176	0	0	111.8	R332 V386 L436 R482	R332-E452 PolarHBondContact NH1-O 3.05Å; V386-E452 HydrophobicContact CG2-CB 4.39Å; L436-E452 HydrophobicContact CD2-CB 4.36Å; L436-E452 HydrophobicContact CD2-CG 3.79Å; E452-R482 WeakPolarHBondContact OE2-CD 3.39Å; E452-R482 IonicContact OE2-CZ 3.78Å; E452-R482 IonicContact OE2-NE 2.95Å; E452-R482 IonicContact OE2-NH1 3.23Å; E452-R482 PolarHBondContact OE2-NH1 3.11Å
453	C	88.5	Confident	83.4	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.027	26%	0.257	C	S	.	.	S	Bend	trans	-162.2	23.1	-166.2	51.8	0	0	0	0	115	L437 Y455 V483 C484	L437-C453 HydrophobicContact CD1-CB 3.83Å; C453-Y455 VanDerWaalsContact O-CD2 3.27Å; C453-Y455 WeakPolarHBondContact O-CD2 3.34Å; C453-V483 PolarHBondContact SG-O 3.41Å; C453-C484 HydrophobicContact CB-CB 3.9Å; C453-C484 WeakPolarHBondContact CB-SG 3.35Å; C453-C484 VanDerWaalsContact SG-CA 3.5Å; C453-C484 WeakPolarHBondContact SG-CB 3.31Å; C453-C484 CovalentContact SG-SG 2.03Å; C453-C484 PolarHBondContact SG-SG 2.9Å
454	D	90.1	Very high	83.7	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.134	24%	0.239	C	C	.	.			trans	-85.1	141	178.8	-66.1	-2.6	0	0	0	111	H447 V448 T451 C484 N485	H447-D454 WeakPolarHBondContact CA-O 3.3Å; H447-D454 PolarHBondContact CD2-O 2.9Å; V448-D454 HydrophobicContact CB-CB 4.05Å; V448-D454 HydrophobicContact CG2-CB 3.97Å; V448-D454 PolarHBondContact N-O 2.84Å; T451-D454 HydrophobicContact CG2-CB 3.93Å; T451-D454 WeakPolarHBondContact OG1-CB 3.39Å; T451-D454 PolarHBondContact OG1-N 3.28Å; T451-D454 VanDerWaalsContact OG1-N 3.08Å; D454-C484 WeakPolarHBondContact OD1-CA 3.33Å; D454-N485 CarbonylContact C-O 3.54Å; D454-N485 VanDerWaalsContact CA-O 3.25Å; D454-N485 WeakPolarHBondContact CA-O 3.15Å; D454-N485 HydrophobicContact CB-CB 4.27Å; D454-N485 WeakPolarHBondContact CB-O 3.34Å; D454-N485 VanDerWaalsContact CG-ND2 3.29Å; D454-N485 PolarHBondContact OD1-N 2.88Å; D454-N485 PolarHBondContact OD1-ND2 2.85Å; D454-N485 VanDerWaalsContact OD1-ND2 3.11Å; D454-N485 PolarHBondContact OD2-ND2 3.25Å
455	Y	90.9	Very high	84.3	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.2	-179.1	-72.2	-102.2	0	0	0	111.4	V442 E446 H447 C453 F467 P470 N485 F486 I487	V442-Y455 HydrophobicContact CB-CE1 4.49Å; V442-Y455 HydrophobicContact CG2-CE1 4.06Å; E446-Y455 CarbonylContact O-C 3.51Å; E446-Y455 WeakPolarHBondContact O-CA 3.49Å; H447-Y455 HydrophobicContact CB-CD1 4.13Å; H447-Y455 HydrophobicContact CB-CE1 3.75Å; H447-Y455 AromaticContact CD2-CE2 3.73Å; H447-Y455 AromaticContact CD2-CZ 3.73Å; C453-Y455 VanDerWaalsContact O-CD2 3.27Å; C453-Y455 WeakPolarHBondContact O-CD2 3.34Å; Y455-F467 HydrophobicContact CD1-CZ 4.42Å; Y455-F467 HydrophobicContact CG-CZ 4.37Å; Y455-P470 HydrophobicContact CD2-CG 4.25Å; Y455-P470 HydrophobicContact CE1-CG 4.33Å; Y455-P470 HydrophobicContact CE2-CG 3.43Å; Y455-P470 VanDerWaalsContact CE2-CG 3.43Å; Y455-P470 VanDerWaalsContact CZ-CG 3.49Å; Y455-P470 WeakPolarHBondContact OH-CG 3.39Å; Y455-N485 PolarHBondContact N-O 2.62Å; Y455-F486 HydrophobicContact CD2-CD1 4.42Å; Y455-F486 AromaticContact CD2-CE1 3.85Å; Y455-F486 HydrophobicContact CD2-CE1 3.85Å; Y455-F486 HydrophobicContact CG-CE1 4.27Å; Y455-F486 WeakPolarHBondContact O-CA 3.21Å; Y455-I487 PolarHBondContact O-N 3.47Å
456	V	88.7	Confident	84.6	Confident	12 Å²	12	49.1 Å²	49.1	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.2	174.5	178.9	0	0	0	0	109.5	E446 V448 K458 I487 I489 I1270	E446-V456 PolarHBondContact N-O 2.9Å; E446-V456 PolarHBondContact O-N 3.4Å; V448-V456 HydrophobicContact CG2-CG2 3.63Å; V456-K458 HydrophobicContact CG1-CG 3.9Å; V456-I487 CarbonylContact C-O 3.59Å; V456-I487 WeakPolarHBondContact CA-O 3.35Å; V456-I487 HydrophobicContact CG2-CB 4.28Å; V456-I487 HydrophobicContact CG2-CD1 4.35Å; V456-I489 HydrophobicContact CG1-CD1 3.6Å; V456-I489 HydrophobicContact CG1-CG1 4.11Å; V456-I1270 HydrophobicContact CG2-CD1 4.11Å
457	I	91	Very high	84.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.5	177	-61.9	80.6	0	0	0	107.2	F467 F486 I487 F488 I489 Y611	I457-F467 HydrophobicContact CD1-CE2 4.48Å; I457-F467 HydrophobicContact CG1-CD2 4.26Å; I457-F467 HydrophobicContact CG1-CE2 4.34Å; I457-F486 HydrophobicContact CD1-CB 4.43Å; I457-F486 HydrophobicContact CD1-CD1 4.5Å; I457-I487 PolarHBondContact N-O 2.87Å; I457-F488 HydrophobicContact CB-CD1 3.68Å; I457-F488 HydrophobicContact CB-CE1 3.87Å; I457-F488 HydrophobicContact CB-CG 4.3Å; I457-F488 HydrophobicContact CD1-CE1 4.21Å; I457-F488 HydrophobicContact CD1-CE2 4.42Å; I457-F488 HydrophobicContact CD1-CZ 4.13Å; I457-F488 HydrophobicContact CG1-CD1 4.22Å; I457-F488 HydrophobicContact CG1-CE1 3.91Å; I457-F488 HydrophobicContact CG1-CZ 4.29Å; I457-F488 HydrophobicContact CG2-CD1 3.68Å; I457-F488 HydrophobicContact CG2-CE1 3.84Å; I457-F488 CarbonylContact O-C 3.54Å; I457-F488 WeakPolarHBondContact O-CA 3.47Å; I457-I489 PolarHBondContact O-N 2.71Å; I457-Y611 HydrophobicContact CG2-CD2 3.99Å; I457-Y611 HydrophobicContact CG2-CE1 4.23Å; I457-Y611 HydrophobicContact CG2-CE2 3.36Å; I457-Y611 VanDerWaalsContact CG2-CZ 3.49Å
458	K	87.4	Confident	84.7	Confident	64 Å²	64	47.2 Å²	47.2	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	156.7	-178.2	-61	172.3	-166.9	154.8	0	111.1	E446 V456 I489	E446-K458 IonicContact OE1-NZ 3.35Å; E446-K458 PolarHBondContact OE1-NZ 3.47Å; E446-K458 IonicContact OE2-NZ 3.01Å; E446-K458 PolarHBondContact OE2-NZ 3.04Å; V456-K458 HydrophobicContact CG1-CG 3.9Å; K458-I489 CarbonylContact C-O 3.54Å; K458-I489 WeakPolarHBondContact CA-O 3.2Å
459	S	85.3	Confident	84.7	Confident	12 Å²	12	46 Å²	46	8%	0.084	24%	0.238	C	C	.	.			trans	-57.7	144.1	167.7	-167.6	0	0	0	0	111.6	G461 I489 E498	S459-G461 PolarHBondContact OG-N 3.41Å; S459-I489 PolarHBondContact N-O 3.22Å; S459-E498 WeakPolarHBondContact CB-OE2 3.4Å; S459-E498 PolarHBondContact OG-OE2 3.12Å
460	Q	77.5	Confident	84.5	Confident	113 Å²	113	41 Å²	41	53%	0.528	22%	0.221	S	C	.	.			trans	-144.6	40.1	174.6	-65.8	-176.2	-8.7	0	0	108.3	K465	Q460-K465 VanDerWaalsContact CB-NZ 3.34Å
461	G	70.2	Confident	84.3	Confident	34 Å²	34	40.5 Å²	40.5	35%	0.351	22%	0.216	S	C	.	.	S	Bend	trans	87.1	170.6	-172.2	0	0	0	0	0	114.2	S459 I463	S459-G461 PolarHBondContact OG-N 3.41Å; G461-I463 PolarHBondContact O-N 3.18Å; G461-I463 VanDerWaalsContact O-N 3.08Å
462	S	65.3	Low	83.8	Confident	90 Å²	90	40.8 Å²	40.8	63%	0.629	22%	0.216	S	C	*	.	S	Bend	trans	-75.9	12.8	-172.6	54.1	0	0	0	0	115.9	F613	S462-F613 WeakPolarHBondContact CA-O 3.16Å
463	I	77.6	Confident	83.1	Confident	118 Å²	118	44.8 Å²	44.8	61%	0.605	25%	0.245	S	C	*	.			trans	-77.8	139.9	-180	-53.2	177.7	0	0	0	109.1	G461	G461-I463 PolarHBondContact O-N 3.18Å; G461-I463 VanDerWaalsContact O-N 3.08Å
464	E	82.9	Confident	82.2	Confident	70 Å²	70	47.1 Å²	47.1	33%	0.327	26%	0.257	S	S	.	.			trans	-67.1	134.3	171.2	177.7	166.6	-154.6	0	0	111.3	Y580 N610 Y611 R612	E464-Y580 PolarHBondContact OE1-OH 3.4Å; E464-Y580 PolarHBondContact OE2-OH 2.82Å; E464-Y580 VanDerWaalsContact OE2-OH 3.05Å; E464-N610 HydrophobicContact CG-CB 4.41Å; E464-N610 WeakPolarHBondContact OE1-CB 3.37Å; E464-N610 PolarHBondContact OE1-ND2 3.42Å; E464-Y611 WeakPolarHBondContact CA-O 3.36Å; E464-R612 HydrophobicContact CB-CB 4.32Å
465	K	87.2	Confident	81.3	Confident	60 Å²	60	53.8 Å²	53.8	26%	0.261	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152	179.6	-60	-167.2	-172.9	-155.1	0	110.3	Q460 N610 Y611	Q460-K465 VanDerWaalsContact CB-NZ 3.34Å; K465-N610 CarbonylContact O-C 3.57Å; K465-N610 WeakPolarHBondContact O-CA 3.47Å; K465-Y611 HydrophobicContact CB-CD1 4.24Å; K465-Y611 HydrophobicContact CB-CE1 3.59Å; K465-Y611 HydrophobicContact CB-CE2 4.14Å; K465-Y611 PolarHBondContact N-O 3.41Å; K465-Y611 WeakPolarHBondContact O-CD1 3.44Å; K465-Y611 PolarHBondContact O-N 2.92Å
466	Q	87.6	Confident	80.6	Confident	91 Å²	91	57.7 Å²	57.7	43%	0.425	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148.7	176.1	-167.6	177.6	43.9	0	0	109.1	E505 I608 L609	Q466-E505 PolarHBondContact NE2-OE2 2.94Å; Q466-I608 HydrophobicContact CG-CG2 3.61Å; Q466-L609 CarbonylContact C-O 3.58Å; Q466-L609 WeakPolarHBondContact CA-O 3.14Å
467	F	89.1	Confident	80.3	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	125.3	172.2	179.1	-89.6	0	0	0	109.6	V442 Y455 I457 F486 F607 L609 Y611	V442-F467 HydrophobicContact CB-CE2 3.94Å; V442-F467 HydrophobicContact CB-CZ 4.46Å; V442-F467 HydrophobicContact CG1-CD2 3.77Å; V442-F467 HydrophobicContact CG1-CE2 3.44Å; V442-F467 VanDerWaalsContact CG1-CE2 3.44Å; V442-F467 HydrophobicContact CG1-CZ 4.04Å; Y455-F467 HydrophobicContact CD1-CZ 4.42Å; Y455-F467 HydrophobicContact CG-CZ 4.37Å; I457-F467 HydrophobicContact CD1-CE2 4.48Å; I457-F467 HydrophobicContact CG1-CD2 4.26Å; I457-F467 HydrophobicContact CG1-CE2 4.34Å; F467-F486 AromaticContact CE1-CD1 3.77Å; F467-F486 HydrophobicContact CE1-CD1 3.77Å; F467-F486 AromaticContact CE1-CE1 3.7Å; F467-F486 HydrophobicContact CE1-CE1 3.7Å; F467-F486 HydrophobicContact CZ-CD1 4.03Å; F467-F486 AromaticContact CZ-CE1 3.93Å; F467-F486 HydrophobicContact CZ-CE1 3.93Å; F467-F607 AromaticContact CD1-CE2 3.96Å; F467-F607 HydrophobicContact CD1-CE2 3.96Å; F467-F607 HydrophobicContact CE1-CE2 4.04Å; F467-F607 HydrophobicContact CE1-CZ 4.33Å; F467-L609 HydrophobicContact CB-CD1 4Å; F467-L609 HydrophobicContact CB-CG 4.28Å; F467-L609 PolarHBondContact N-O 3.13Å; F467-L609 PolarHBondContact O-N 2.94Å; F467-Y611 HydrophobicContact CB-CD1 4.26Å; F467-Y611 HydrophobicContact CB-CE1 3.95Å
468	E	88	Confident	80	Confident	92 Å²	92	58.8 Å²	58.8	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142.9	176.2	-61.9	-179.1	-159	0	0	110.3	M472 I608	E468-M472 HydrophobicContact CB-CB 4.48Å; E468-I608 HydrophobicContact CG-CG1 4.34Å
469	S	86.9	Confident	79.8	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.028	31%	0.314	C	S	.	.			trans	-69.1	145.9	175.6	74.7	0	0	0	0	111.9	T471 M472 M605 F607	S469-T471 PolarHBondContact O-N 2.83Å; S469-T471 PolarHBondContact OG-OG1 2.92Å; S469-M472 WeakPolarHBondContact O-CB 3.02Å; S469-M472 PolarHBondContact O-N 2.94Å; S469-M605 WeakPolarHBondContact CB-O 3.38Å; S469-M605 PolarHBondContact OG-O 2.85Å; S469-F607 PolarHBondContact N-O 2.92Å; S469-F607 PolarHBondContact OG-N 2.8Å
470	P	81.1	Confident	79.7	Confident	11 Å²	11	58.5 Å²	58.5	7%	0.071	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22	-179.3	-23.8	32.2	0	0	0	114.4	V442 Y455	V442-P470 HydrophobicContact CG2-CG 4.25Å; Y455-P470 HydrophobicContact CD2-CG 4.25Å; Y455-P470 HydrophobicContact CE1-CG 4.33Å; Y455-P470 HydrophobicContact CE2-CG 3.43Å; Y455-P470 VanDerWaalsContact CE2-CG 3.43Å; Y455-P470 VanDerWaalsContact CZ-CG 3.49Å; Y455-P470 WeakPolarHBondContact OH-CG 3.39Å
471	T	80.2	Confident	80	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.012	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.6	177.6	30.9	0	0	0	0	113.5	L437 S469 N474 F476 M605 K606	L437-T471 HydrophobicContact CD1-CG2 4.42Å; L437-T471 HydrophobicContact CD2-CG2 3.91Å; S469-T471 PolarHBondContact O-N 2.83Å; S469-T471 PolarHBondContact OG-OG1 2.92Å; T471-N474 VanDerWaalsContact O-O 3.09Å; T471-F476 HydrophobicContact CG2-CB 4.07Å; T471-F476 WeakPolarHBondContact CG2-O 3.45Å; T471-M605 PolarHBondContact OG1-O 3.12Å; T471-K606 WeakPolarHBondContact O-CE 3.49Å; T471-K606 PolarHBondContact O-NZ 3.12Å
472	M	78	Confident	80.7	Confident	34 Å²	34	60.8 Å²	60.8	17%	0.167	32%	0.322	C	S	.	.	S	Bend	trans	-62.5	-60.8	178.9	-175.8	54.8	61.8	0	0	112.2	E468 S469 N474 K606 F607 I608	E468-M472 HydrophobicContact CB-CB 4.48Å; S469-M472 WeakPolarHBondContact O-CB 3.02Å; S469-M472 PolarHBondContact O-N 2.94Å; M472-N474 VanDerWaalsContact C-N 3.33Å; M472-N474 PolarHBondContact O-N 3.41Å; M472-K606 HydrophobicContact CE-CB 4.09Å; M472-K606 PolarHBondContact O-NZ 3.07Å; M472-F607 VanDerWaalsContact CE-N 3.32Å; M472-F607 WeakPolarHBondContact CE-O 3.02Å; M472-I608 HydrophobicContact CE-CD1 4.38Å; M472-I608 HydrophobicContact CE-CG1 3.63Å; M472-I608 HydrophobicContact SD-CG1 4.48Å
473	S	71.5	Confident	81.8	Confident	99 Å²	99	59.1 Å²	59.1	69%	0.692	31%	0.308	S	S	*	.	S	Bend	trans	-76.8	-13.4	-174.4	54.8	0	0	0	0	115.1
474	N	68.9	Low	82.4	Confident	54 Å²	54	53.5 Å²	53.5	29%	0.289	28%	0.28	S	S	.	.	S	Bend	trans	-114	162.2	-174.4	-66.9	-63	0	0	0	112.5	T471 M472 F476 K606	T471-N474 VanDerWaalsContact O-O 3.09Å; M472-N474 VanDerWaalsContact C-N 3.33Å; M472-N474 PolarHBondContact O-N 3.41Å; N474-F476 HydrophobicContact CB-CD2 3.58Å; N474-F476 HydrophobicContact CB-CE2 4.26Å; N474-F476 HydrophobicContact CB-CG 4.48Å; N474-F476 PolarHBondContact O-N 2.94Å; N474-K606 PolarHBondContact O-NZ 2.92Å
475	N	72.2	Confident	82.8	Confident	165 Å²	165	51.2 Å²	51.2	88%	0.882	27%	0.27	S	S	*	.	S	Bend	trans	-88.3	22	172.1	-70	-13.6	0	0	0	113.1
476	F	76.1	Confident	83	Confident	84 Å²	84	48.4 Å²	48.4	37%	0.368	26%	0.257	S	S	.	.			trans	-76.6	143	171.8	-70.6	-69.9	0	0	0	110.5	L437 P438 T471 N474	L437-F476 HydrophobicContact CD2-CB 3.67Å; L437-F476 HydrophobicContact CD2-CG 4.35Å; P438-F476 HydrophobicContact CG-CD2 3.67Å; P438-F476 HydrophobicContact CG-CE2 3.63Å; P438-F476 HydrophobicContact CG-CG 4.5Å; P438-F476 HydrophobicContact CG-CZ 4.39Å; T471-F476 HydrophobicContact CG2-CB 4.07Å; T471-F476 WeakPolarHBondContact CG2-O 3.45Å; N474-F476 HydrophobicContact CB-CD2 3.58Å; N474-F476 HydrophobicContact CB-CE2 4.26Å; N474-F476 HydrophobicContact CB-CG 4.48Å; N474-F476 PolarHBondContact O-N 2.94Å
477	V	81.9	Confident	83.1	Confident	35 Å²	35	44.5 Å²	44.5	21%	0.212	24%	0.239	C	C	.	.			trans	-126.1	152.9	172.1	-64.5	0	0	0	0	109	T479 P601 N604	V477-T479 PolarHBondContact O-N 2.97Å; V477-P601 HydrophobicContact CG2-CB 3.82Å; V477-P601 HydrophobicContact CG2-CG 4.2Å; V477-P601 VanDerWaalsContact CG2-O 3.3Å; V477-P601 WeakPolarHBondContact CG2-O 3.28Å; V477-N604 HydrophobicContact CG1-CB 4.4Å
478	L	84.8	Confident	83.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-74.6	110.7	175.7	179.5	64.7	0	0	0	108.5	L437 R482 C484 G602 L603	L437-L478 HydrophobicContact CD1-CD1 4.05Å; L478-R482 HydrophobicContact CD1-CB 3.46Å; L478-R482 VanDerWaalsContact CD1-CB 3.46Å; L478-R482 HydrophobicContact CD1-CG 4.33Å; L478-R482 HydrophobicContact CD2-CB 4.45Å; L478-R482 HydrophobicContact CG-CB 3.84Å; L478-C484 WeakPolarHBondContact CD1-SG 3.34Å; L478-G602 CarbonylContact O-C 3.51Å; L478-G602 WeakPolarHBondContact O-CA 3.41Å; L478-L603 HydrophobicContact CB-CB 4.24Å; L478-L603 HydrophobicContact CD2-CD2 4.26Å; L478-L603 PolarHBondContact N-O 2.82Å; L478-L603 PolarHBondContact O-N 2.93Å
479	T	83.3	Confident	83.3	Confident	36 Å²	36	42.2 Å²	42.2	22%	0.221	23%	0.23	C	C	.	.			trans	-60.2	154.6	-176.2	64.6	0	0	0	0	112	V477 R482 S595	V477-T479 PolarHBondContact O-N 2.97Å; T479-R482 VanDerWaalsContact O-CB 3.27Å; T479-R482 WeakPolarHBondContact O-CB 3.23Å; T479-R482 WeakPolarHBondContact O-CG 3.46Å; T479-R482 PolarHBondContact O-N 2.91Å; T479-R482 WeakPolarHBondContact OG1-CG 3.27Å; T479-S595 PolarHBondContact O-OG 2.85Å
480	P	83.8	Confident	83.3	Confident	34 Å²	34	42.1 Å²	42.1	22%	0.221	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	150.5	-174.7	-28.9	36.2	0	0	0	115.1	R482 T598 L600	P480-R482 PolarHBondContact O-N 3.44Å; P480-T598 WeakPolarHBondContact CB-O 3.32Å; P480-T598 WeakPolarHBondContact CG-O 3.16Å; P480-L600 HydrophobicContact CG-CD2 4.14Å
481	D	83.6	Confident	83.5	Confident	115 Å²	115	45.5 Å²	45.5	62%	0.615	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	21.3	-178.3	-54.6	-38.5	0	0	0	115	S595 T596	D481-S595 PolarHBondContact N-OG 3.12Å; D481-T596 VanDerWaalsContact OD1-CA 3.29Å; D481-T596 WeakPolarHBondContact OD1-CA 3.37Å
482	R	85	Confident	83.4	Confident	80 Å²	80	50.8 Å²	50.8	30%	0.302	27%	0.271	S	S	.	.			trans	-99.9	158	169	-57.3	-61.3	179.5	138.2	-18.4	113	E452 L478 T479 P480 S595	E452-R482 WeakPolarHBondContact OE2-CD 3.39Å; E452-R482 IonicContact OE2-CZ 3.78Å; E452-R482 IonicContact OE2-NE 2.95Å; E452-R482 IonicContact OE2-NH1 3.23Å; E452-R482 PolarHBondContact OE2-NH1 3.11Å; L478-R482 HydrophobicContact CD1-CB 3.46Å; L478-R482 VanDerWaalsContact CD1-CB 3.46Å; L478-R482 HydrophobicContact CD1-CG 4.33Å; L478-R482 HydrophobicContact CD2-CB 4.45Å; L478-R482 HydrophobicContact CG-CB 3.84Å; T479-R482 VanDerWaalsContact O-CB 3.27Å; T479-R482 WeakPolarHBondContact O-CB 3.23Å; T479-R482 WeakPolarHBondContact O-CG 3.46Å; T479-R482 PolarHBondContact O-N 2.91Å; T479-R482 WeakPolarHBondContact OG1-CG 3.27Å; P480-R482 PolarHBondContact O-N 3.44Å; R482-S595 WeakPolarHBondContact CA-OG 3.2Å; R482-S595 PolarHBondContact N-OG 2.85Å; R482-S595 WeakPolarHBondContact O-CB 3.27Å; R482-S595 PolarHBondContact O-N 3.44Å; R482-S595 PolarHBondContact O-OG 2.94Å
483	V	87.6	Confident	83.4	Confident	56 Å²	56	53.3 Å²	53.3	34%	0.339	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.2	-177	-178.5	0	0	0	0	109.7	C453 R592 F593	C453-V483 PolarHBondContact SG-O 3.41Å; V483-R592 HydrophobicContact CG1-CG 3.52Å; V483-F593 WeakPolarHBondContact CA-O 3.02Å
484	C	90.4	Very high	83.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.6	170	-53.9	0	0	0	0	110.4	C453 D454 L478 F486 R592 F593 M605	C453-C484 HydrophobicContact CB-CB 3.9Å; C453-C484 WeakPolarHBondContact CB-SG 3.35Å; C453-C484 VanDerWaalsContact SG-CA 3.5Å; C453-C484 WeakPolarHBondContact SG-CB 3.31Å; C453-C484 CovalentContact SG-SG 2.03Å; C453-C484 PolarHBondContact SG-SG 2.9Å; D454-C484 WeakPolarHBondContact OD1-CA 3.33Å; L478-C484 WeakPolarHBondContact CD1-SG 3.34Å; C484-F486 HydrophobicContact CB-CE2 4.06Å; C484-R592 WeakPolarHBondContact O-CA 3.47Å; C484-F593 PolarHBondContact N-O 2.96Å; C484-F593 PolarHBondContact O-N 2.92Å; C484-M605 HydrophobicContact CB-CE 4.32Å; C484-M605 HydrophobicContact CB-SD 3.94Å
485	N	91.3	Very high	83.9	Confident	22 Å²	22	57.8 Å²	57.8	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.2	-178.5	-55.2	-81	0	0	0	111.1	D454 Y455 I487 L590 R592	D454-N485 CarbonylContact C-O 3.54Å; D454-N485 VanDerWaalsContact CA-O 3.25Å; D454-N485 WeakPolarHBondContact CA-O 3.15Å; D454-N485 HydrophobicContact CB-CB 4.27Å; D454-N485 WeakPolarHBondContact CB-O 3.34Å; D454-N485 VanDerWaalsContact CG-ND2 3.29Å; D454-N485 PolarHBondContact OD1-N 2.88Å; D454-N485 PolarHBondContact OD1-ND2 2.85Å; D454-N485 VanDerWaalsContact OD1-ND2 3.11Å; D454-N485 PolarHBondContact OD2-ND2 3.25Å; Y455-N485 PolarHBondContact N-O 2.62Å; N485-I487 HydrophobicContact CB-CG1 4.46Å; N485-L590 HydrophobicContact CB-CD1 3.69Å; N485-R592 PolarHBondContact OD1-NE 2.78Å; N485-R592 PolarHBondContact OD1-NH2 2.84Å
486	F	91.7	Very high	84.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.4	172.1	-61.3	-91.4	0	0	0	108.7	Y455 I457 F467 C484 F488 M591 F593 M605 F607	Y455-F486 HydrophobicContact CD2-CD1 4.42Å; Y455-F486 AromaticContact CD2-CE1 3.85Å; Y455-F486 HydrophobicContact CD2-CE1 3.85Å; Y455-F486 HydrophobicContact CG-CE1 4.27Å; Y455-F486 WeakPolarHBondContact O-CA 3.21Å; I457-F486 HydrophobicContact CD1-CB 4.43Å; I457-F486 HydrophobicContact CD1-CD1 4.5Å; F467-F486 AromaticContact CE1-CD1 3.77Å; F467-F486 HydrophobicContact CE1-CD1 3.77Å; F467-F486 AromaticContact CE1-CE1 3.7Å; F467-F486 HydrophobicContact CE1-CE1 3.7Å; F467-F486 HydrophobicContact CZ-CD1 4.03Å; F467-F486 AromaticContact CZ-CE1 3.93Å; F467-F486 HydrophobicContact CZ-CE1 3.93Å; C484-F486 HydrophobicContact CB-CE2 4.06Å; F486-F488 HydrophobicContact CB-CE2 4.21Å; F486-M591 HydrophobicContact CB-CB 4.34Å; F486-M591 HydrophobicContact CB-CE 3.71Å; F486-M591 HydrophobicContact CD2-CE 4.03Å; F486-M591 HydrophobicContact CG-CE 3.9Å; F486-M591 PolarHBondContact N-O 2.7Å; F486-M591 PolarHBondContact O-N 3.04Å; F486-F593 AromaticContact CD2-CD2 3.78Å; F486-F593 HydrophobicContact CD2-CD2 3.78Å; F486-F593 HydrophobicContact CD2-CE2 4.05Å; F486-F593 AromaticContact CE2-CD2 3.66Å; F486-F593 HydrophobicContact CE2-CD2 3.66Å; F486-F593 HydrophobicContact CE2-CE2 4.07Å; F486-M605 HydrophobicContact CE2-CE 4.28Å; F486-M605 HydrophobicContact CE2-SD 3.78Å; F486-M605 HydrophobicContact CZ-CE 3.94Å; F486-M605 HydrophobicContact CZ-SD 4.04Å; F486-F607 HydrophobicContact CD1-CZ 4.21Å; F486-F607 HydrophobicContact CD2-CZ 4.17Å; F486-F607 AromaticContact CE1-CZ 3.9Å; F486-F607 HydrophobicContact CE1-CZ 3.9Å; F486-F607 HydrophobicContact CE2-CE1 4.05Å; F486-F607 AromaticContact CE2-CZ 3.84Å; F486-F607 HydrophobicContact CE2-CZ 3.84Å; F486-F607 HydrophobicContact CG-CZ 4.35Å; F486-F607 HydrophobicContact CZ-CE1 4.11Å; F486-F607 AromaticContact CZ-CZ 3.71Å; F486-F607 HydrophobicContact CZ-CZ 3.71Å
487	I	90.9	Very high	84.5	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.5	-170.4	-52.9	172.3	0	0	0	109	Y455 V456 I457 N485 I489 L549 V588 L590 I1270	Y455-I487 PolarHBondContact O-N 3.47Å; V456-I487 CarbonylContact C-O 3.59Å; V456-I487 WeakPolarHBondContact CA-O 3.35Å; V456-I487 HydrophobicContact CG2-CB 4.28Å; V456-I487 HydrophobicContact CG2-CD1 4.35Å; I457-I487 PolarHBondContact N-O 2.87Å; N485-I487 HydrophobicContact CB-CG1 4.46Å; I487-I489 HydrophobicContact CG2-CD1 4.14Å; I487-I489 HydrophobicContact CG2-CG1 3.87Å; I487-L549 HydrophobicContact CD1-CD2 4.32Å; I487-V588 HydrophobicContact CG2-CG1 4.26Å; I487-L590 HydrophobicContact CG1-CD1 4Å; I487-I1270 HydrophobicContact CD1-CD1 3.92Å
488	F	91.5	Very high	84.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.5	175.8	-62.9	-98.2	0	0	0	109.4	I457 F486 V500 I502 V588 L589 M591 L609 Y611 F613	I457-F488 HydrophobicContact CB-CD1 3.68Å; I457-F488 HydrophobicContact CB-CE1 3.87Å; I457-F488 HydrophobicContact CB-CG 4.3Å; I457-F488 HydrophobicContact CD1-CE1 4.21Å; I457-F488 HydrophobicContact CD1-CE2 4.42Å; I457-F488 HydrophobicContact CD1-CZ 4.13Å; I457-F488 HydrophobicContact CG1-CD1 4.22Å; I457-F488 HydrophobicContact CG1-CE1 3.91Å; I457-F488 HydrophobicContact CG1-CZ 4.29Å; I457-F488 HydrophobicContact CG2-CD1 3.68Å; I457-F488 HydrophobicContact CG2-CE1 3.84Å; I457-F488 CarbonylContact O-C 3.54Å; I457-F488 WeakPolarHBondContact O-CA 3.47Å; F486-F488 HydrophobicContact CB-CE2 4.21Å; F488-V500 HydrophobicContact CB-CB 4.27Å; F488-V500 HydrophobicContact CB-CG1 3.96Å; F488-V500 HydrophobicContact CB-CG2 4.22Å; F488-V500 HydrophobicContact CD1-CG2 4Å; F488-V500 HydrophobicContact CG-CG1 4.47Å; F488-V500 HydrophobicContact CG-CG2 4.31Å; F488-I502 HydrophobicContact CD1-CD1 3.97Å; F488-I502 HydrophobicContact CD2-CD1 3.68Å; F488-I502 HydrophobicContact CE1-CD1 3.8Å; F488-I502 HydrophobicContact CE2-CD1 3.51Å; F488-I502 HydrophobicContact CG-CD1 3.92Å; F488-I502 HydrophobicContact CZ-CD1 3.58Å; F488-V588 WeakPolarHBondContact O-CA 3.35Å; F488-L589 HydrophobicContact CB-CB 4.38Å; F488-L589 HydrophobicContact CD2-CD2 4.31Å; F488-L589 PolarHBondContact N-O 3.36Å; F488-L589 PolarHBondContact O-N 3.1Å; F488-M591 HydrophobicContact CE2-CE 4.19Å; F488-M591 HydrophobicContact CZ-CE 4.49Å; F488-L609 HydrophobicContact CE1-CD1 4.07Å; F488-L609 HydrophobicContact CZ-CD1 3.92Å; F488-L609 HydrophobicContact CZ-CD2 4.08Å; F488-Y611 HydrophobicContact CD1-CD2 4.34Å; F488-Y611 HydrophobicContact CD1-CG 4.44Å; F488-Y611 HydrophobicContact CE1-CD1 4.38Å; F488-Y611 HydrophobicContact CE1-CD2 4.34Å; F488-Y611 HydrophobicContact CE1-CG 4.04Å; F488-F613 HydrophobicContact CB-CZ 4.49Å
489	I	89.3	Confident	84.7	Confident	46 Å²	46	47 Å²	47	24%	0.236	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	107.1	-177	-52.1	-177.2	0	0	0	109.6	V456 I457 K458 S459 I487 N587	V456-I489 HydrophobicContact CG1-CD1 3.6Å; V456-I489 HydrophobicContact CG1-CG1 4.11Å; I457-I489 PolarHBondContact O-N 2.71Å; K458-I489 CarbonylContact C-O 3.54Å; K458-I489 WeakPolarHBondContact CA-O 3.2Å; S459-I489 PolarHBondContact N-O 3.22Å; I487-I489 HydrophobicContact CG2-CD1 4.14Å; I487-I489 HydrophobicContact CG2-CG1 3.87Å; I489-N587 CarbonylContact C-O 3.53Å; I489-N587 WeakPolarHBondContact CA-O 3.37Å
490	G	86.8	Confident	84.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.01	22%	0.222	C	C	.	.			trans	-81.1	154.6	169.3	0	0	0	0	0	111.8	N587	G490-N587 PolarHBondContact N-O 2.92Å; G490-N587 WeakPolarHBondContact O-CB 3.49Å; G490-N587 PolarHBondContact O-ND2 3.27Å
491	D	84.9	Confident	85.1	Confident	83 Å²	83	43.8 Å²	43.8	44%	0.444	21%	0.211	S	C	.	.			trans	-74.1	154.3	175.4	-75.9	-41.3	0	0	0	111.7	F493 E498	D491-F493 HydrophobicContact CB-CD2 4.44Å; D491-F493 HydrophobicContact CB-CE2 3.7Å; D491-F493 HydrophobicContact CB-CZ 4.12Å; D491-E498 PolarHBondContact N-OE2 3.32Å; D491-E498 PolarHBondContact O-N 2.8Å
492	Q	77.8	Confident	85.3	Confident	113 Å²	113	38.3 Å²	38.3	53%	0.528	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-110.3	117.7	175.2	176	171.8	6.9	0	0	108.7	I497	Q492-I497 HydrophobicContact CB-CG2 4.33Å; Q492-I497 HydrophobicContact CG-CG2 4.01Å
493	F	78.9	Confident	85.5	Confident	86 Å²	86	34.5 Å²	34.5	38%	0.377	17%	0.168	S	C	.	.			trans	-99.5	173	175.3	-61	-98.2	0	0	0	109.2	D491 Y496 E498	D491-F493 HydrophobicContact CB-CD2 4.44Å; D491-F493 HydrophobicContact CB-CE2 3.7Å; D491-F493 HydrophobicContact CB-CZ 4.12Å; F493-Y496 CarbonylContact C-O 3.53Å; F493-Y496 WeakPolarHBondContact CA-O 3.32Å; F493-Y496 HydrophobicContact CB-CD1 4.38Å; F493-Y496 HydrophobicContact CB-CD2 4.23Å; F493-Y496 HydrophobicContact CB-CE1 4.16Å; F493-Y496 HydrophobicContact CB-CE2 3.98Å; F493-Y496 HydrophobicContact CB-CG 4.41Å; F493-Y496 WeakPolarHBondContact CB-O 3.35Å; F493-Y496 HydrophobicContact CD1-CE2 4.4Å; F493-Y496 AromaticContact CD2-CD2 3.83Å; F493-Y496 HydrophobicContact CD2-CD2 3.83Å; F493-Y496 AromaticContact CD2-CE2 3.16Å; F493-Y496 HydrophobicContact CD2-CE2 3.16Å; F493-Y496 AromaticContact CD2-CZ 3.67Å; F493-Y496 AromaticContact CE2-CE2 3.7Å; F493-Y496 HydrophobicContact CE2-CE2 3.7Å; F493-Y496 HydrophobicContact CG-CD2 4.27Å; F493-Y496 HydrophobicContact CG-CE1 4.3Å; F493-Y496 AromaticContact CG-CE2 3.59Å; F493-Y496 HydrophobicContact CG-CE2 3.59Å; F493-Y496 AromaticContact CG-CZ 3.6Å; F493-Y496 HydrophobicContact CZ-CE2 4.5Å; F493-Y496 PolarHBondContact N-O 2.85Å; F493-E498 HydrophobicContact CD2-CG 4.46Å; F493-E498 HydrophobicContact CE2-CG 3.89Å
494	E	72.8	Confident	85.6	Confident	165 Å²	165	31.9 Å²	31.9	77%	0.771	15%	0.152	S	C	*	.	S	Bend	trans	-61.9	-52.3	178.5	-62.9	-174.4	158.3	0	0	111.2	P680	E494-P680 WeakPolarHBondContact O-CB 3.43Å; E494-P680 WeakPolarHBondContact O-CG 3.44Å
495	Q	76.4	Confident	85.4	Confident	83 Å²	83	37.2 Å²	37.2	39%	0.388	18%	0.177	S	C	.	.	S	Bend	trans	-88	-17.4	-173.2	-70.4	179.7	-34.7	0	0	115.4	F617 N682	Q495-F617 WeakPolarHBondContact O-CD1 3.39Å; Q495-N682 PolarHBondContact NE2-O 3.2Å
496	Y	80.9	Confident	85.2	Confident	40 Å²	40	39.8 Å²	39.8	16%	0.157	19%	0.188	C	C	.	.			trans	-155.5	165.1	-173.9	64.1	-96.7	0	0	0	112	F493 E498 K615 F617	F493-Y496 CarbonylContact C-O 3.53Å; F493-Y496 WeakPolarHBondContact CA-O 3.32Å; F493-Y496 HydrophobicContact CB-CD1 4.38Å; F493-Y496 HydrophobicContact CB-CD2 4.23Å; F493-Y496 HydrophobicContact CB-CE1 4.16Å; F493-Y496 HydrophobicContact CB-CE2 3.98Å; F493-Y496 HydrophobicContact CB-CG 4.41Å; F493-Y496 WeakPolarHBondContact CB-O 3.35Å; F493-Y496 HydrophobicContact CD1-CE2 4.4Å; F493-Y496 AromaticContact CD2-CD2 3.83Å; F493-Y496 HydrophobicContact CD2-CD2 3.83Å; F493-Y496 AromaticContact CD2-CE2 3.16Å; F493-Y496 HydrophobicContact CD2-CE2 3.16Å; F493-Y496 AromaticContact CD2-CZ 3.67Å; F493-Y496 AromaticContact CE2-CE2 3.7Å; F493-Y496 HydrophobicContact CE2-CE2 3.7Å; F493-Y496 HydrophobicContact CG-CD2 4.27Å; F493-Y496 HydrophobicContact CG-CE1 4.3Å; F493-Y496 AromaticContact CG-CE2 3.59Å; F493-Y496 HydrophobicContact CG-CE2 3.59Å; F493-Y496 AromaticContact CG-CZ 3.6Å; F493-Y496 HydrophobicContact CZ-CE2 4.5Å; F493-Y496 PolarHBondContact N-O 2.85Å; Y496-E498 HydrophobicContact CE2-CG 4.47Å; Y496-K615 HydrophobicContact CD2-CB 4.04Å; Y496-K615 HydrophobicContact CD2-CG 3.96Å; Y496-K615 HydrophobicContact CE1-CD 4.3Å; Y496-K615 HydrophobicContact CE1-CG 4.46Å; Y496-K615 HydrophobicContact CE2-CB 4.27Å; Y496-K615 HydrophobicContact CE2-CD 4.35Å; Y496-K615 HydrophobicContact CE2-CG 3.67Å; Y496-K615 HydrophobicContact CG-CB 4.4Å; Y496-F617 HydrophobicContact CD1-CE1 4.37Å
497	I	81.8	Confident	85	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	157.1	169.6	50.3	167.5	0	0	0	110.3	Q492 H586 N587 D616 L674	Q492-I497 HydrophobicContact CB-CG2 4.33Å; Q492-I497 HydrophobicContact CG-CG2 4.01Å; I497-H586 HydrophobicContact CD1-CB 4.38Å; I497-N587 HydrophobicContact CB-CB 4.21Å; I497-N587 HydrophobicContact CG2-CB 4.48Å; I497-D616 HydrophobicContact CG1-CB 4.24Å; I497-D616 WeakPolarHBondContact CG1-O 3.18Å; I497-D616 PolarHBondContact N-O 3.06Å; I497-D616 WeakPolarHBondContact O-CB 3.24Å; I497-D616 PolarHBondContact O-N 3.5Å; I497-L674 HydrophobicContact CD1-CD2 4.41Å; I497-L674 HydrophobicContact CG1-CD2 4.03Å; I497-L674 HydrophobicContact CG2-CD2 4.33Å
498	E	86	Confident	84.6	Confident	13 Å²	13	43.3 Å²	43.3	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.9	167.9	-76	-175.2	153.1	0	0	111.4	S459 D491 F493 Y496 N587 F613 K614	S459-E498 WeakPolarHBondContact CB-OE2 3.4Å; S459-E498 PolarHBondContact OG-OE2 3.12Å; D491-E498 PolarHBondContact N-OE2 3.32Å; D491-E498 PolarHBondContact O-N 2.8Å; F493-E498 HydrophobicContact CD2-CG 4.46Å; F493-E498 HydrophobicContact CE2-CG 3.89Å; Y496-E498 HydrophobicContact CE2-CG 4.47Å; E498-N587 VanDerWaalsContact O-CA 3.32Å; E498-N587 WeakPolarHBondContact O-CA 3.37Å; E498-F613 HydrophobicContact CB-CB 4.23Å; E498-F613 HydrophobicContact CB-CD1 4.41Å; E498-K614 CarbonylContact C-O 3.44Å; E498-K614 VanDerWaalsContact CA-O 3.24Å; E498-K614 WeakPolarHBondContact CA-O 3.37Å
499	S	83.9	Confident	84.2	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.6	169.6	68	0	0	0	0	110.7	G584 K614 D616	S499-G584 WeakPolarHBondContact CB-O 3.44Å; S499-K614 PolarHBondContact N-O 3.18Å; S499-K614 PolarHBondContact O-N 2.82Å; S499-D616 WeakPolarHBondContact CB-OD2 3.38Å; S499-D616 WeakPolarHBondContact OG-CB 3.35Å; S499-D616 PolarHBondContact OG-OD2 3.42Å
500	V	87.6	Confident	83.6	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.6	176.2	72.9	0	0	0	0	110.4	F488 I502 G584 L589 F613	F488-V500 HydrophobicContact CB-CB 4.27Å; F488-V500 HydrophobicContact CB-CG1 3.96Å; F488-V500 HydrophobicContact CB-CG2 4.22Å; F488-V500 HydrophobicContact CD1-CG2 4Å; F488-V500 HydrophobicContact CG-CG1 4.47Å; F488-V500 HydrophobicContact CG-CG2 4.31Å; V500-I502 HydrophobicContact CG1-CD1 4.29Å; V500-I502 HydrophobicContact CG1-CG1 4.33Å; V500-I502 HydrophobicContact CG2-CD1 4.24Å; V500-I502 HydrophobicContact CG2-CG1 3.83Å; V500-G584 PolarHBondContact O-N 2.85Å; V500-L589 HydrophobicContact CG1-CB 3.62Å; V500-L589 HydrophobicContact CG1-CD2 3.8Å; V500-L589 HydrophobicContact CG1-CG 4.26Å; V500-F613 HydrophobicContact CB-CD1 3.96Å; V500-F613 HydrophobicContact CB-CE1 3.75Å; V500-F613 HydrophobicContact CB-CZ 4.49Å; V500-F613 HydrophobicContact CG2-CD1 4.22Å; V500-F613 HydrophobicContact CG2-CE1 3.92Å; V500-F613 HydrophobicContact CG2-CZ 4.2Å
501	S	87.2	Confident	83	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.7	166.1	-61.8	0	0	0	0	108.8	I582 Y611 R612 K614	S501-I582 CarbonylContact C-O 3.28Å; S501-I582 WeakPolarHBondContact CA-O 3.49Å; S501-Y611 CarbonylContact O-C 3.59Å; S501-Y611 VanDerWaalsContact O-CA 3.27Å; S501-Y611 WeakPolarHBondContact O-CA 3.47Å; S501-R612 PolarHBondContact N-O 3.06Å; S501-R612 PolarHBondContact O-N 2.81Å; S501-K614 WeakPolarHBondContact OG-CD 3.21Å; S501-K614 WeakPolarHBondContact OG-CE 3.38Å; S501-K614 PolarHBondContact OG-NZ 3.26Å
502	I	89.3	Confident	82.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.1	-175.8	-54.8	-179.2	0	0	0	110.4	F488 V500 F504 Y580 P581 I582 L589 L609 N610	F488-I502 HydrophobicContact CD1-CD1 3.97Å; F488-I502 HydrophobicContact CD2-CD1 3.68Å; F488-I502 HydrophobicContact CE1-CD1 3.8Å; F488-I502 HydrophobicContact CE2-CD1 3.51Å; F488-I502 HydrophobicContact CG-CD1 3.92Å; F488-I502 HydrophobicContact CZ-CD1 3.58Å; V500-I502 HydrophobicContact CG1-CD1 4.29Å; V500-I502 HydrophobicContact CG1-CG1 4.33Å; V500-I502 HydrophobicContact CG2-CD1 4.24Å; V500-I502 HydrophobicContact CG2-CG1 3.83Å; I502-F504 HydrophobicContact CG2-CE2 4.49Å; I502-Y580 CarbonylContact O-C 3.54Å; I502-P581 WeakPolarHBondContact O-CD 3.33Å; I502-I582 HydrophobicContact CB-CB 4.25Å; I502-I582 PolarHBondContact N-O 3.41Å; I502-I582 PolarHBondContact O-N 3.39Å; I502-I582 VanDerWaalsContact O-N 3.09Å; I502-L589 HydrophobicContact CD1-CD2 3.47Å; I502-L589 VanDerWaalsContact CD1-CD2 3.47Å; I502-L589 HydrophobicContact CG1-CD2 4.39Å; I502-L609 HydrophobicContact CG2-CB 4.12Å; I502-L609 HydrophobicContact CG2-CD1 4.08Å; I502-L609 HydrophobicContact CG2-CD2 4.32Å; I502-L609 HydrophobicContact CG2-CG 4.41Å; I502-N610 WeakPolarHBondContact CA-O 3.48Å
503	G	88.6	Confident	82.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	157	165.2	0	0	0	0	0	110	L609 N610	G503-L609 WeakPolarHBondContact O-CA 3.5Å; G503-N610 PolarHBondContact N-O 3.05Å; G503-N610 PolarHBondContact O-N 3.26Å
504	F	89.4	Confident	81.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	147	-175.2	-65.3	-94.7	0	0	0	111.9	I502 I507 M524 L569 K570 I571 I582 M591 F607 L609	I502-F504 HydrophobicContact CG2-CE2 4.49Å; F504-I507 HydrophobicContact CB-CB 4.21Å; F504-I507 HydrophobicContact CB-CG2 3.84Å; F504-I507 HydrophobicContact CD1-CB 3.81Å; F504-I507 HydrophobicContact CD1-CD1 4.09Å; F504-I507 HydrophobicContact CD1-CG1 4.36Å; F504-I507 HydrophobicContact CD1-CG2 4.3Å; F504-I507 HydrophobicContact CD2-CD1 4.47Å; F504-I507 HydrophobicContact CE1-CB 4.42Å; F504-I507 HydrophobicContact CE1-CD1 3.91Å; F504-I507 HydrophobicContact CE1-CG1 4.49Å; F504-I507 HydrophobicContact CE2-CD1 4.31Å; F504-I507 HydrophobicContact CG-CB 4.06Å; F504-I507 HydrophobicContact CG-CD1 4.36Å; F504-I507 HydrophobicContact CG-CG2 4.02Å; F504-I507 HydrophobicContact CZ-CD1 4.02Å; F504-M524 HydrophobicContact CE2-CE 4.11Å; F504-M524 HydrophobicContact CZ-CE 3.97Å; F504-M524 HydrophobicContact CZ-SD 3.83Å; F504-L569 HydrophobicContact CD2-CB 3.95Å; F504-L569 HydrophobicContact CE2-CD1 4.44Å; F504-L569 PolarHBondContact N-O 2.97Å; F504-K570 CarbonylContact O-C 3.54Å; F504-K570 WeakPolarHBondContact O-CA 3.37Å; F504-I571 PolarHBondContact O-N 2.82Å; F504-I582 HydrophobicContact CE2-CD1 4.02Å; F504-M591 HydrophobicContact CE1-SD 4.35Å; F504-M591 HydrophobicContact CZ-SD 3.78Å; F504-F607 HydrophobicContact CD1-CB 4.13Å; F504-F607 HydrophobicContact CE1-CB 4.14Å; F504-F607 HydrophobicContact CE1-CD2 4.21Å; F504-F607 HydrophobicContact CE1-CG 4.28Å; F504-L609 HydrophobicContact CD1-CB 3.76Å; F504-L609 HydrophobicContact CE1-CB 3.89Å; F504-L609 HydrophobicContact CE1-CD2 3.98Å; F504-L609 HydrophobicContact CG-CB 4.37Å; F504-L609 HydrophobicContact CZ-CD2 4.42Å
505	E	86.7	Confident	80.8	Confident	113 Å²	113	45.7 Å²	45.7	53%	0.528	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-47.3	164.5	-177.5	173.8	-174.5	0	0	109.2	Q466 I608	Q466-E505 PolarHBondContact NE2-OE2 2.94Å; E505-I608 HydrophobicContact CB-CB 4.3Å; E505-I608 HydrophobicContact CB-CG2 4.19Å; E505-I608 PolarHBondContact N-O 3.14Å
506	Q	85.9	Confident	80	Confident	76 Å²	76	43.3 Å²	43.3	36%	0.355	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.5	171.4	-177.9	172.1	-8.9	0	0	109.5	E508 F607 I608	Q506-E508 PolarHBondContact NE2-OE1 3.06Å; Q506-F607 CarbonylContact O-C 3.56Å; Q506-F607 WeakPolarHBondContact O-CA 3.4Å; Q506-F607 WeakPolarHBondContact O-CB 3.43Å; Q506-I608 HydrophobicContact CB-CB 4.39Å; Q506-I608 HydrophobicContact CB-CG1 4.34Å; Q506-I608 PolarHBondContact N-O 3.06Å; Q506-I608 PolarHBondContact O-N 2.71Å; Q506-I608 VanDerWaalsContact O-O 3.11Å
507	I	87.6	Confident	79.3	Confident	12 Å²	12	49.8 Å²	49.8	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	127	171.3	176	172.6	0	0	0	108.7	F504 L509 M524 L566 L569 F607	F504-I507 HydrophobicContact CB-CB 4.21Å; F504-I507 HydrophobicContact CB-CG2 3.84Å; F504-I507 HydrophobicContact CD1-CB 3.81Å; F504-I507 HydrophobicContact CD1-CD1 4.09Å; F504-I507 HydrophobicContact CD1-CG1 4.36Å; F504-I507 HydrophobicContact CD1-CG2 4.3Å; F504-I507 HydrophobicContact CD2-CD1 4.47Å; F504-I507 HydrophobicContact CE1-CB 4.42Å; F504-I507 HydrophobicContact CE1-CD1 3.91Å; F504-I507 HydrophobicContact CE1-CG1 4.49Å; F504-I507 HydrophobicContact CE2-CD1 4.31Å; F504-I507 HydrophobicContact CG-CB 4.06Å; F504-I507 HydrophobicContact CG-CD1 4.36Å; F504-I507 HydrophobicContact CG-CG2 4.02Å; F504-I507 HydrophobicContact CZ-CD1 4.02Å; I507-L509 HydrophobicContact CD1-CD1 4.17Å; I507-L509 HydrophobicContact CD1-CG 4.46Å; I507-L509 HydrophobicContact CG1-CG 4.38Å; I507-M524 HydrophobicContact CD1-CE 3.93Å; I507-M524 HydrophobicContact CD1-SD 3.92Å; I507-L566 HydrophobicContact CB-CD2 4.44Å; I507-L566 HydrophobicContact CD1-CD2 4.26Å; I507-L566 HydrophobicContact CG1-CD2 3.93Å; I507-L566 HydrophobicContact CG2-CB 4.44Å; I507-L566 HydrophobicContact CG2-CD2 4Å; I507-L569 HydrophobicContact CD1-CD1 4.39Å; I507-F607 HydrophobicContact CB-CB 4.26Å; I507-F607 HydrophobicContact CG1-CB 4.38Å
508	E	83.2	Confident	78.9	Confident	72 Å²	72	55.7 Å²	55.7	34%	0.336	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.5	175	-71.7	167.9	-150.7	0	0	109	Q506 N604 K606	Q506-E508 PolarHBondContact NE2-OE1 3.06Å; E508-N604 PolarHBondContact OE2-ND2 2.99Å; E508-K606 HydrophobicContact CB-CB 4.31Å; E508-K606 PolarHBondContact N-O 3.13Å
509	L	82.6	Confident	78.5	Confident	16 Å²	16	55.7 Å²	55.7	8%	0.084	30%	0.3	C	S	.	.			trans	-135.3	151.8	170.8	-73.2	174.7	0	0	0	109	I507 M524 L566 F593 L603	I507-L509 HydrophobicContact CD1-CD1 4.17Å; I507-L509 HydrophobicContact CD1-CG 4.46Å; I507-L509 HydrophobicContact CG1-CG 4.38Å; L509-M524 HydrophobicContact CD1-CB 3.84Å; L509-M524 HydrophobicContact CD2-CB 4.41Å; L509-L566 HydrophobicContact CB-CD2 4.13Å; L509-L566 HydrophobicContact CD1-CD2 4.27Å; L509-L566 HydrophobicContact CG-CD2 4.31Å; L509-F593 HydrophobicContact CD2-CD1 4.03Å; L509-F593 HydrophobicContact CD2-CE1 3.8Å; L509-L603 HydrophobicContact CD2-CD1 4.44Å
510	P	76.4	Confident	78.4	Confident	39 Å²	39	58.3 Å²	58.3	25%	0.253	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-67.6	150.6	176.1	27.2	-33.6	0	0	0	111.5	R521 D561 L603	P510-R521 WeakPolarHBondContact CG-O 3.5Å; P510-D561 PolarHBondContact O-N 3.06Å; P510-D561 VanDerWaalsContact O-N 3.1Å; P510-L603 HydrophobicContact CG-CD1 3.61Å
511	K	74.4	Confident	78.1	Confident	138 Å²	138	63 Å²	63	60%	0.6	33%	0.331	S	S	*	.	B	Isolated β-bridge	trans	-73.7	136.7	169.8	-68.6	-179.5	176.2	-177.9	0	109.9	R521 D561	K511-R521 WeakPolarHBondContact O-CD 3.45Å; K511-D561 WeakPolarHBondContact CA-O 3.13Å; K511-D561 WeakPolarHBondContact CE-OD2 3.08Å; K511-D561 HydrophobicContact CG-CB 3.71Å; K511-D561 VanDerWaalsContact CG-OD2 3.25Å; K511-D561 WeakPolarHBondContact CG-OD2 2.99Å; K511-D561 IonicContact NZ-OD2 2.81Å
512	S	74.1	Confident	78	Confident	20 Å²	20	63 Å²	63	14%	0.14	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-59.9	164.4	169	56.5	0	0	0	0	110.9	D520	S512-D520 VanDerWaalsContact CA-OD1 3.3Å; S512-D520 WeakPolarHBondContact CA-OD1 3.05Å; S512-D520 WeakPolarHBondContact CB-OD1 3.12Å
513	S	70.9	Confident	78	Confident	38 Å²	38	64.8 Å²	64.8	27%	0.266	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-58.1	148.6	169.5	51.6	0	0	0	0	112.1	G515 S516 D520	S513-G515 PolarHBondContact O-N 3.05Å; S513-S516 WeakPolarHBondContact O-CB 3.27Å; S513-S516 PolarHBondContact O-N 3.05Å; S513-S516 VanDerWaalsContact OG-CB 3.26Å; S513-S516 WeakPolarHBondContact OG-CB 3.29Å; S513-D520 WeakPolarHBondContact CB-OD2 3.27Å; S513-D520 PolarHBondContact N-OD1 3.26Å; S513-D520 PolarHBondContact OG-OD2 3.39Å
514	E	63.3	Low	78	Confident	207 Å²	207	64.8 Å²	64.8	97%	0.967	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	122.2	-178.5	-72.8	-171.1	120.5	0	0	111
515	G	60.1	Low	78	Confident	86 Å²	86	64.8 Å²	64.8	89%	0.887	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-5	-177.6	0	0	0	0	0	115.5	S513	S513-G515 PolarHBondContact O-N 3.05Å
516	S	60.5	Low	78.1	Confident	32 Å²	32	59.4 Å²	59.4	22%	0.224	31%	0.314	C	S	.	.			trans	-78.6	127.4	175.2	-178.6	0	0	0	0	112.3	S513 I518	S513-S516 WeakPolarHBondContact O-CB 3.27Å; S513-S516 PolarHBondContact O-N 3.05Å; S513-S516 VanDerWaalsContact OG-CB 3.26Å; S513-S516 WeakPolarHBondContact OG-CB 3.29Å; S516-I518 PolarHBondContact OG-N 2.94Å; S516-I518 PolarHBondContact OG-O 3.08Å
517	Q	65.2	Low	78.2	Confident	177 Å²	177	56.6 Å²	56.6	83%	0.827	30%	0.301	S	S	*	.	S	Bend	trans	-87.1	12.6	165.9	-68.3	-173.7	-27.7	0	0	112.7	R562	Q517-R562 VanDerWaalsContact C-NH2 3.35Å; Q517-R562 PolarHBondContact O-NH2 3.2Å
518	I	73.6	Confident	77.7	Confident	125 Å²	125	56.3 Å²	56.3	64%	0.641	30%	0.3	S	S	*	.	S	Bend	trans	-122.9	135.8	-176.7	-56.3	177.5	0	0	0	108.2	S516 D520	S516-I518 PolarHBondContact OG-N 2.94Å; S516-I518 PolarHBondContact OG-O 3.08Å; I518-D520 VanDerWaalsContact C-N 3.28Å; I518-D520 PolarHBondContact O-N 3.36Å
519	C	78.2	Confident	77.5	Confident	12 Å²	12	53.1 Å²	53.1	8%	0.081	29%	0.286	C	S	.	.			trans	-78.4	80.5	176.7	-61.9	0	0	0	0	110.2	H523 C560 R562	C519-H523 HydrophobicContact CB-CB 3.7Å; C519-H523 PolarHBondContact O-ND1 3.42Å; C519-C560 VanDerWaalsContact CA-SG 3.53Å; C519-C560 HydrophobicContact CB-CB 3.69Å; C519-C560 WeakPolarHBondContact CB-SG 3.1Å; C519-C560 WeakPolarHBondContact SG-CB 3.31Å; C519-C560 CovalentContact SG-SG 2.04Å; C519-C560 PolarHBondContact SG-SG 2.82Å; C519-R562 PolarHBondContact SG-NH2 2.97Å
520	D	81.2	Confident	76.8	Confident	58 Å²	58	55.6 Å²	55.6	31%	0.31	29%	0.294	S	S	.	.			trans	-79.1	-28.2	-174	61	-31.8	0	0	0	113.8	S512 S513 I518 G522 G597	S512-D520 VanDerWaalsContact CA-OD1 3.3Å; S512-D520 WeakPolarHBondContact CA-OD1 3.05Å; S512-D520 WeakPolarHBondContact CB-OD1 3.12Å; S513-D520 WeakPolarHBondContact CB-OD2 3.27Å; S513-D520 PolarHBondContact N-OD1 3.26Å; S513-D520 PolarHBondContact OG-OD2 3.39Å; I518-D520 VanDerWaalsContact C-N 3.28Å; I518-D520 PolarHBondContact O-N 3.36Å; D520-G522 PolarHBondContact O-N 3.25Å; D520-G597 WeakPolarHBondContact O-CA 3.34Å
521	R	81.8	Confident	76	Confident	102 Å²	102	59.9 Å²	59.9	39%	0.385	32%	0.315	S	S	.	.	S	Bend	trans	-98.6	42	-176.8	-70.6	170.8	161.9	173.4	-7.5	112.8	P510 K511 T598	P510-R521 WeakPolarHBondContact CG-O 3.5Å; K511-R521 WeakPolarHBondContact O-CD 3.45Å; R521-T598 VanDerWaalsContact O-CG2 3.24Å; R521-T598 WeakPolarHBondContact O-CG2 3.45Å
522	G	84.9	Confident	74.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	30%	0.302	C	S	.	.			trans	77.4	165.4	-170.5	0	0	0	0	0	114	D520 N594 T596	D520-G522 PolarHBondContact O-N 3.25Å; G522-N594 CarbonylContact C-O 3.35Å; G522-N594 WeakPolarHBondContact CA-O 3.31Å; G522-T596 PolarHBondContact N-O 2.93Å
523	H	88.9	Confident	73.3	Confident	36 Å²	36	61.2 Å²	61.2	17%	0.167	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	165.5	-172.3	49.5	-100	0	0	0	113.6	C519 V558 N594	C519-H523 HydrophobicContact CB-CB 3.7Å; C519-H523 PolarHBondContact O-ND1 3.42Å; H523-V558 HydrophobicContact CB-CG1 3.74Å; H523-N594 PolarHBondContact CE1-ND2 3.45Å; H523-N594 VanDerWaalsContact CE1-ND2 3.3Å; H523-N594 PolarHBondContact N-O 2.98Å; H523-N594 PolarHBondContact NE2-ND2 2.8Å; H523-N594 PolarHBondContact O-N 3.26Å
524	M	90.3	Very high	71.7	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.1	163.9	-176.5	-178	76.4	0	0	109.5	F504 I507 L509 V526 V558 Y559 L569 M591 R592 F593	F504-M524 HydrophobicContact CE2-CE 4.11Å; F504-M524 HydrophobicContact CZ-CE 3.97Å; F504-M524 HydrophobicContact CZ-SD 3.83Å; I507-M524 HydrophobicContact CD1-CE 3.93Å; I507-M524 HydrophobicContact CD1-SD 3.92Å; L509-M524 HydrophobicContact CD1-CB 3.84Å; L509-M524 HydrophobicContact CD2-CB 4.41Å; M524-V526 HydrophobicContact CE-CG2 4.38Å; M524-V558 WeakPolarHBondContact O-CA 3.29Å; M524-Y559 HydrophobicContact CE-CD2 3.59Å; M524-Y559 HydrophobicContact CE-CE2 4.29Å; M524-Y559 HydrophobicContact CE-CG 4.14Å; M524-Y559 PolarHBondContact N-O 2.9Å; M524-Y559 PolarHBondContact O-N 3.49Å; M524-L569 HydrophobicContact CE-CD1 3.83Å; M524-M591 HydrophobicContact CG-CG 3.83Å; M524-M591 HydrophobicContact CG-SD 4.36Å; M524-M591 HydrophobicContact SD-CG 3.84Å; M524-M591 HydrophobicContact SD-SD 3.56Å; M524-R592 CarbonylContact C-O 3.54Å; M524-R592 WeakPolarHBondContact CA-O 3.42Å; M524-F593 HydrophobicContact CB-CD1 4.29Å; M524-F593 HydrophobicContact CB-CE1 4.07Å; M524-F593 HydrophobicContact CB-CZ 4.31Å; M524-F593 HydrophobicContact CG-CD2 4.44Å; M524-F593 HydrophobicContact CG-CE1 4.12Å; M524-F593 HydrophobicContact CG-CE2 4.03Å; M524-F593 HydrophobicContact CG-CZ 3.86Å; M524-F593 HydrophobicContact SD-CE1 4.11Å; M524-F593 HydrophobicContact SD-CE2 3.98Å; M524-F593 HydrophobicContact SD-CZ 3.51Å; M524-F593 VanDerWaalsContact SD-CZ 3.51Å
525	A	89.2	Confident	70.4	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.7	175.3	0	0	0	0	0	110.8	Y527 P555 V558 R592	A525-Y527 HydrophobicContact CB-CE2 3.83Å; A525-P555 HydrophobicContact CB-CB 3.96Å; A525-P555 HydrophobicContact CB-CG 4.4Å; A525-V558 HydrophobicContact CB-CG2 4.36Å; A525-R592 HydrophobicContact CB-CB 4.46Å; A525-R592 PolarHBondContact N-O 2.97Å; A525-R592 PolarHBondContact O-N 2.97Å
526	V	88.8	Confident	69.3	Low	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.7	-178.7	-178.4	0	0	0	0	109.9	M524 D556 H557 Y559 I582 L589	M524-V526 HydrophobicContact CE-CG2 4.38Å; V526-D556 PolarHBondContact O-N 2.9Å; V526-H557 PolarHBondContact N-O 3.04Å; V526-H557 PolarHBondContact O-N 2.58Å; V526-Y559 HydrophobicContact CG2-CD2 4.16Å; V526-Y559 HydrophobicContact CG2-CE2 3.86Å; V526-I582 HydrophobicContact CG1-CG2 4.06Å; V526-I582 HydrophobicContact CG2-CD1 4.17Å; V526-L589 HydrophobicContact CG1-CD1 4.01Å; V526-L589 HydrophobicContact CG1-CG 4.47Å
527	Y	87	Confident	68.4	Low	17 Å²	17	67.1 Å²	67.1	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.4	-177.5	-53.5	-102.5	0	0	0	110.9	A525 K553 P555 D556 L590 R592	A525-Y527 HydrophobicContact CB-CE2 3.83Å; Y527-K553 HydrophobicContact CD1-CD 4.32Å; Y527-K553 WeakPolarHBondContact CE1-O 3.46Å; Y527-P555 HydrophobicContact CD1-CB 4.07Å; Y527-P555 VanDerWaalsContact CE1-CA 3.47Å; Y527-P555 HydrophobicContact CE1-CB 3.7Å; Y527-P555 HydrophobicContact CE2-CB 4.25Å; Y527-D556 WeakPolarHBondContact CA-OD2 3.35Å; Y527-L590 HydrophobicContact CD2-CB 4.44Å; Y527-L590 HydrophobicContact CD2-CD2 3.82Å; Y527-L590 HydrophobicContact CD2-CG 3.89Å; Y527-L590 HydrophobicContact CE2-CD2 4.25Å; Y527-L590 HydrophobicContact CG-CD2 4.3Å; Y527-L590 PolarHBondContact N-O 2.8Å; Y527-L590 PolarHBondContact O-N 2.86Å; Y527-R592 HydrophobicContact CE2-CB 4Å; Y527-R592 PolarHBondContact OH-NH1 2.84Å; Y527-R592 VanDerWaalsContact OH-NH1 3.07Å
528	G	77.5	Confident	67.2	Low	5 Å²	5	65.2 Å²	65.2	5%	0.052	35%	0.347	C	S	.	.	S	Bend	trans	86.1	22.2	-177.8	0	0	0	0	0	114	D556 R585	G528-D556 PolarHBondContact N-OD2 3.03Å; G528-R585 VanDerWaalsContact O-CB 3.29Å; G528-R585 WeakPolarHBondContact O-CB 3.33Å; G528-R585 PolarHBondContact O-N 2.96Å
529	S	78.1	Confident	65.9	Low	6 Å²	6	64.5 Å²	64.5	4%	0.042	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-98.1	166.2	-176.5	60.2	0	0	0	0	113.7	D556 V583	S529-D556 PolarHBondContact N-OD2 3.33Å; S529-D556 VanDerWaalsContact OG-CB 3.26Å; S529-D556 WeakPolarHBondContact OG-CB 3.4Å; S529-D556 PolarHBondContact OG-OD2 2.81Å; S529-D556 VanDerWaalsContact OG-OD2 3.12Å; S529-V583 CarbonylContact C-O 3.51Å; S529-V583 WeakPolarHBondContact CA-O 3.23Å
530	R	69.2	Low	64.2	Low	68 Å²	68	64.9 Å²	64.9	26%	0.257	34%	0.342	S	S	.	.			trans	-108	138.5	170.1	-64.7	-177.6	178.7	149.9	11.9	109.7	L532 V583 R585 D616	R530-L532 PolarHBondContact O-N 2.97Å; R530-V583 PolarHBondContact N-O 3.09Å; R530-R585 HydrophobicContact CG-CB 3.83Å; R530-R585 HydrophobicContact CG-CG 3.88Å; R530-R585 PolarHBondContact NH2-O 3.33Å; R530-D616 IonicContact CZ-OD1 3.1Å; R530-D616 IonicContact CZ-OD2 2.75Å; R530-D616 VanDerWaalsContact CZ-OD2 3.24Å; R530-D616 IonicContact NH1-OD1 2.78Å; R530-D616 PolarHBondContact NH1-OD1 2.56Å; R530-D616 IonicContact NH1-OD2 2.7Å; R530-D616 PolarHBondContact NH1-OD2 3.38Å; R530-D616 VanDerWaalsContact NH2-CG 3.29Å; R530-D616 IonicContact NH2-OD1 3.19Å; R530-D616 PolarHBondContact NH2-OD1 3.18Å; R530-D616 IonicContact NH2-OD2 3.44Å; R530-D616 PolarHBondContact NH2-OD2 3.29Å
531	L	58.3	Low	62.3	Low	129 Å²	129	67.1 Å²	67.1	68%	0.675	36%	0.358	S	S	*	.			trans	-61.1	136.3	160.6	-74.1	101.7	0	0	0	109.7
532	L	52.4	Low	60.6	Low	66 Å²	66	65.1 Å²	65.1	35%	0.346	35%	0.351	S	S	.	.			trans	-69.9	152.1	174.3	-69.7	155.5	0	0	0	110.8	R530 G534 Y579 P581	R530-L532 PolarHBondContact O-N 2.97Å; L532-G534 PolarHBondContact O-N 2.87Å; L532-Y579 HydrophobicContact CD1-CE1 4.23Å; L532-Y579 WeakPolarHBondContact CD1-OH 3.49Å; L532-P581 VanDerWaalsContact CD1-O 3.23Å; L532-P581 WeakPolarHBondContact CD1-O 3.41Å
533	P	40.1	Very low	58.6	Low	119 Å²	119	70.4 Å²	70.4	77%	0.773	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	113.6	-177.7	27.9	-34.2	0	0	0	111.4
534	G	37.7	Very low	56.4	Low	76 Å²	76	75 Å²	75	78%	0.784	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-176.5	-45.5	177.6	0	0	0	0	0	113.3	L532	L532-G534 PolarHBondContact O-N 2.87Å
535	E	36.4	Very low	54.5	Low	159 Å²	159	77 Å²	77	74%	0.743	41%	0.406	S	S	*	.	S	Bend	trans	-89	166.7	169.6	-65.6	-166.7	115.9	0	0	111.7	I537	E535-I537 PolarHBondContact O-N 3.29Å; E535-I537 VanDerWaalsContact O-N 3.14Å
536	Q	35.9	Very low	52.5	Low	165 Å²	165	82.1 Å²	82.1	77%	0.771	43%	0.429	S	S	*	.			trans	-57.7	121.1	-179.8	-69.9	-168.4	-1.9	0	0	110.1	N538	Q536-N538 PolarHBondContact O-N 2.57Å
537	I	42.1	Very low	50.7	Low	88 Å²	88	85.2 Å²	85.2	45%	0.451	44%	0.443	S	S	.	.			trans	-75.1	79.1	-175.1	-40.8	177.7	0	0	0	109.1	E535 K539 W669	E535-I537 PolarHBondContact O-N 3.29Å; E535-I537 VanDerWaalsContact O-N 3.14Å; I537-K539 PolarHBondContact O-N 2.71Å; I537-W669 HydrophobicContact CG2-CZ2 3.87Å; I537-W669 VanDerWaalsContact CG2-NE1 3.26Å; I537-W669 VanDerWaalsContact O-CD1 3.22Å; I537-W669 PolarHBondContact O-NE1 2.94Å
538	N	39.9	Very low	49.1	Very low	137 Å²	137	85 Å²	85	73%	0.733	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-48.6	136.9	169.8	-78.4	-39.6	0	0	0	109.4	Q536	Q536-N538 PolarHBondContact O-N 2.57Å
539	K	45.3	Very low	47.9	Very low	110 Å²	110	88 Å²	88	48%	0.478	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-52.1	125.1	-177.7	178.2	175.7	176.5	173.6	0	109.2	I537 T541 E706	I537-K539 PolarHBondContact O-N 2.71Å; K539-T541 PolarHBondContact O-N 3.07Å; K539-T541 VanDerWaalsContact O-N 3.09Å; K539-E706 WeakPolarHBondContact CE-OE2 3.23Å; K539-E706 IonicContact NZ-OE2 3.4Å; K539-E706 PolarHBondContact NZ-OE2 3.49Å
540	P	44	Very low	46.8	Very low	20 Å²	20	92.8 Å²	92.8	13%	0.13	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-62.1	116.2	-174.7	25.4	-38.8	0	0	0	111.1	Y542 W669	P540-Y542 VanDerWaalsContact C-N 3.28Å; P540-Y542 HydrophobicContact CB-CD2 3.86Å; P540-Y542 HydrophobicContact CB-CE1 4.39Å; P540-Y542 HydrophobicContact CB-CE2 3.74Å; P540-Y542 HydrophobicContact CB-CG 4.28Å; P540-Y542 HydrophobicContact CG-CD2 3.69Å; P540-Y542 HydrophobicContact CG-CE1 4.47Å; P540-Y542 HydrophobicContact CG-CE2 3.16Å; P540-Y542 VanDerWaalsContact O-CD2 3.27Å; P540-Y542 WeakPolarHBondContact O-CD2 3.49Å; P540-Y542 PolarHBondContact O-N 2.69Å; P540-W669 HydrophobicContact CB-CH2 4.39Å; P540-W669 VanDerWaalsContact CD-CE2 3.42Å; P540-W669 VanDerWaalsContact CD-CH2 3.49Å; P540-W669 HydrophobicContact CG-CE3 4.35Å; P540-W669 HydrophobicContact CG-CH2 3.36Å; P540-W669 HydrophobicContact CG-CZ2 3.67Å; P540-W669 HydrophobicContact CG-CZ3 3.69Å
541	T	41.4	Very low	45.9	Very low	104 Å²	104	94 Å²	94	64%	0.638	50%	0.498	S	S	*	.			trans	-65.8	93.9	158.4	-30.3	0	0	0	0	107.2	K539 E543 R585	K539-T541 PolarHBondContact O-N 3.07Å; K539-T541 VanDerWaalsContact O-N 3.09Å; T541-E543 PolarHBondContact O-N 3.27Å; T541-R585 VanDerWaalsContact O-CZ 3.27Å; T541-R585 PolarHBondContact O-NH1 3.12Å; T541-R585 PolarHBondContact O-NH2 2.9Å; T541-R585 VanDerWaalsContact O-NH2 3.07Å
542	Y	45.5	Very low	46	Very low	61 Å²	61	94.7 Å²	94.7	24%	0.239	50%	0.503	C	S	.	.			trans	-81.7	102.7	177.4	-73.5	-81.9	0	0	0	109.4	P540 G618 N671 Y675 P676	P540-Y542 VanDerWaalsContact C-N 3.28Å; P540-Y542 HydrophobicContact CB-CD2 3.86Å; P540-Y542 HydrophobicContact CB-CE1 4.39Å; P540-Y542 HydrophobicContact CB-CE2 3.74Å; P540-Y542 HydrophobicContact CB-CG 4.28Å; P540-Y542 HydrophobicContact CG-CD2 3.69Å; P540-Y542 HydrophobicContact CG-CE1 4.47Å; P540-Y542 HydrophobicContact CG-CE2 3.16Å; P540-Y542 VanDerWaalsContact O-CD2 3.27Å; P540-Y542 WeakPolarHBondContact O-CD2 3.49Å; P540-Y542 PolarHBondContact O-N 2.69Å; Y542-G618 PolarHBondContact OH-O 3.08Å; Y542-N671 PolarHBondContact OH-ND2 2.85Å; Y542-N671 VanDerWaalsContact OH-ND2 3.1Å; Y542-Y675 HydrophobicContact CD2-CD1 4.36Å; Y542-Y675 HydrophobicContact CD2-CE1 4.45Å; Y542-Y675 WeakPolarHBondContact CE1-O 3.48Å; Y542-Y675 HydrophobicContact CE2-CD1 4.01Å; Y542-Y675 HydrophobicContact CE2-CE1 4.41Å; Y542-Y675 VanDerWaalsContact CZ-O 3.26Å; Y542-P676 VanDerWaalsContact CB-CD 3.4Å; Y542-P676 HydrophobicContact CD2-CG 4.42Å; Y542-P676 HydrophobicContact CG-CG 4.11Å
543	E	41.8	Very low	46.7	Very low	111 Å²	111	93.3 Å²	93.3	52%	0.519	49%	0.494	S	S	.	.			trans	-99.8	154.2	171.3	-78.3	177.9	160.5	0	0	110.2	T541 E547 K553	T541-E543 PolarHBondContact O-N 3.27Å; E543-E547 VanDerWaalsContact CB-OE2 3.31Å; E543-E547 WeakPolarHBondContact CB-OE2 3.2Å; E543-K553 IonicContact OE2-NZ 3.27Å; E543-K553 PolarHBondContact OE2-NZ 3.04Å
544	Y	44.3	Very low	48.3	Very low	134 Å²	134	95.7 Å²	95.7	53%	0.525	50%	0.495	S	S	.	.			trans	-76.1	152.7	-168.7	-75	-88.7	0	0	0	112.3	H546 E547	Y544-H546 PolarHBondContact O-N 3Å; Y544-H546 VanDerWaalsContact O-N 3.12Å; Y544-E547 PolarHBondContact N-OE2 3.28Å; Y544-E547 WeakPolarHBondContact O-CB 3.32Å; Y544-E547 PolarHBondContact O-N 3.25Å
545	S	49.3	Very low	50.2	Low	41 Å²	41	94.2 Å²	94.2	29%	0.287	47%	0.472	S	S	.	.	H	α-helix	trans	-58.7	-25.3	175.1	53.3	0	0	0	0	113.5	E547 I548	S545-E547 PolarHBondContact O-N 2.97Å; S545-I548 PolarHBondContact O-N 3.03Å
546	H	47.1	Very low	52.2	Low	109 Å²	109	89.3 Å²	89.3	51%	0.505	45%	0.451	S	S	.	.	H	α-helix	trans	-70.5	-12	172.4	-69	-23.9	0	0	0	114.8	Y544 Q550 R1271	Y544-H546 PolarHBondContact O-N 3Å; Y544-H546 VanDerWaalsContact O-N 3.12Å; H546-Q550 PolarHBondContact O-NE2 3.04Å; H546-R1271 PolarHBondContact CD2-NH2 2.98Å; H546-R1271 VanDerWaalsContact CD2-NH2 3.33Å; H546-R1271 PolarHBondContact NE2-NH2 3.37Å
547	E	51.1	Low	54.4	Low	64 Å²	64	84.1 Å²	84.1	30%	0.299	43%	0.426	S	S	.	.	H	α-helix	trans	-95.2	-22.2	177.8	-68.2	158.3	161.5	0	0	111.9	E543 Y544 S545 L549 Q550	E543-E547 VanDerWaalsContact CB-OE2 3.31Å; E543-E547 WeakPolarHBondContact CB-OE2 3.2Å; Y544-E547 PolarHBondContact N-OE2 3.28Å; Y544-E547 WeakPolarHBondContact O-CB 3.32Å; Y544-E547 PolarHBondContact O-N 3.25Å; S545-E547 PolarHBondContact O-N 2.97Å; E547-L549 PolarHBondContact O-N 3.5Å; E547-Q550 PolarHBondContact O-N 3.24Å; E547-Q550 VanDerWaalsContact O-N 3.09Å
548	I	53.6	Low	56.4	Low	12 Å²	12	82.4 Å²	82.4	6%	0.062	42%	0.42	C	S	.	.	H	α-helix	trans	-60.9	-30.3	177	-64.3	174.1	0	0	0	112.1	S545 L590	S545-I548 PolarHBondContact O-N 3.03Å; I548-L590 HydrophobicContact CG2-CB 4.09Å
549	L	53.1	Low	58.6	Low	70 Å²	70	77.6 Å²	77.6	37%	0.366	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.5	178.6	-63.5	175.2	0	0	0	113.7	I487 E547	I487-L549 HydrophobicContact CD1-CD2 4.32Å; E547-L549 PolarHBondContact O-N 3.5Å
550	Q	55.1	Low	60.4	Low	105 Å²	105	72.4 Å²	72.4	49%	0.491	37%	0.369	S	S	.	.	S	Bend	trans	-80.5	134.5	178.7	-65.9	176.5	34.8	0	0	110.4	H546 E547 N552 K553	H546-Q550 PolarHBondContact O-NE2 3.04Å; E547-Q550 PolarHBondContact O-N 3.24Å; E547-Q550 VanDerWaalsContact O-N 3.09Å; Q550-N552 PolarHBondContact O-N 2.64Å; Q550-K553 PolarHBondContact O-N 3.49Å
551	S	50.6	Low	62.1	Low	93 Å²	93	73.6 Å²	73.6	65%	0.65	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.7	-178.2	51.6	0	0	0	0	114.5
552	N	60.2	Low	63.5	Low	145 Å²	145	71.4 Å²	71.4	78%	0.775	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	0.7	-168.2	-57.6	-1	0	0	0	113.4	Q550	Q550-N552 PolarHBondContact O-N 2.64Å
553	K	67.5	Low	64.4	Low	36 Å²	36	74 Å²	74	16%	0.157	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-75.1	136.6	176.7	-161.5	-167.4	179	73.3	0	110.1	Y527 E543 Q550	Y527-K553 HydrophobicContact CD1-CD 4.32Å; Y527-K553 WeakPolarHBondContact CE1-O 3.46Å; E543-K553 IonicContact OE2-NZ 3.27Å; E543-K553 PolarHBondContact OE2-NZ 3.04Å; Q550-K553 PolarHBondContact O-N 3.49Å
554	E	73.2	Confident	65.5	Low	170 Å²	170	74.4 Å²	74.4	79%	0.794	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-69.8	140.7	167	-64.8	-172.9	160.7	0	0	110.1
555	P	78	Confident	66.8	Low	45 Å²	45	71.2 Å²	71.2	29%	0.292	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71.1	145.8	175.5	29.6	-34.4	0	0	0	111.5	A525 Y527 H557 V558	A525-P555 HydrophobicContact CB-CB 3.96Å; A525-P555 HydrophobicContact CB-CG 4.4Å; Y527-P555 HydrophobicContact CD1-CB 4.07Å; Y527-P555 VanDerWaalsContact CE1-CA 3.47Å; Y527-P555 HydrophobicContact CE1-CB 3.7Å; Y527-P555 HydrophobicContact CE2-CB 4.25Å; P555-H557 VanDerWaalsContact C-N 3.32Å; P555-V558 HydrophobicContact CB-CG2 3.92Å; P555-V558 HydrophobicContact CG-CG2 3.3Å
556	D	77	Confident	68.1	Low	56 Å²	56	69.7 Å²	69.7	30%	0.299	37%	0.366	S	S	.	.	S	Bend	trans	-66.1	-40.3	176.1	-55	-55.2	0	0	0	110.4	V526 Y527 G528 S529	V526-D556 PolarHBondContact O-N 2.9Å; Y527-D556 WeakPolarHBondContact CA-OD2 3.35Å; G528-D556 PolarHBondContact N-OD2 3.03Å; S529-D556 PolarHBondContact N-OD2 3.33Å; S529-D556 VanDerWaalsContact OG-CB 3.26Å; S529-D556 WeakPolarHBondContact OG-CB 3.4Å; S529-D556 PolarHBondContact OG-OD2 2.81Å; S529-D556 VanDerWaalsContact OG-OD2 3.12Å
557	H	81.8	Confident	69.5	Low	55 Å²	55	69.6 Å²	69.6	26%	0.255	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.3	179.3	-60.2	-44.7	0	0	0	111.3	V526 P555 Y559	V526-H557 PolarHBondContact N-O 3.04Å; V526-H557 PolarHBondContact O-N 2.58Å; P555-H557 VanDerWaalsContact C-N 3.32Å; H557-Y559 HydrophobicContact CB-CD2 4.47Å; H557-Y559 HydrophobicContact CB-CE2 3.61Å
558	V	84.8	Confident	70.6	Confident	53 Å²	53	70.3 Å²	70.3	32%	0.321	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.8	175.7	-176.3	0	0	0	0	109.3	H523 M524 A525 P555	H523-V558 HydrophobicContact CB-CG1 3.74Å; M524-V558 WeakPolarHBondContact O-CA 3.29Å; A525-V558 HydrophobicContact CB-CG2 4.36Å; P555-V558 HydrophobicContact CB-CG2 3.92Å; P555-V558 HydrophobicContact CG-CG2 3.3Å
559	Y	85.8	Confident	71.9	Confident	36 Å²	36	69.8 Å²	69.8	14%	0.141	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.1	-175.7	-55.1	-82.5	0	0	0	111.5	M524 V526 H557 L569	M524-Y559 HydrophobicContact CE-CD2 3.59Å; M524-Y559 HydrophobicContact CE-CE2 4.29Å; M524-Y559 HydrophobicContact CE-CG 4.14Å; M524-Y559 PolarHBondContact N-O 2.9Å; M524-Y559 PolarHBondContact O-N 3.49Å; V526-Y559 HydrophobicContact CG2-CD2 4.16Å; V526-Y559 HydrophobicContact CG2-CE2 3.86Å; H557-Y559 HydrophobicContact CB-CD2 4.47Å; H557-Y559 HydrophobicContact CB-CE2 3.61Å; Y559-L569 HydrophobicContact CD1-CD1 3.83Å; Y559-L569 HydrophobicContact CD1-CD2 4.45Å; Y559-L569 HydrophobicContact CD1-CG 4.35Å; Y559-L569 HydrophobicContact CD2-CD1 4.22Å; Y559-L569 HydrophobicContact CE1-CD1 4.13Å; Y559-L569 HydrophobicContact CE1-CD2 3.9Å; Y559-L569 HydrophobicContact CE1-CG 4.23Å; Y559-L569 HydrophobicContact CE2-CD1 4.49Å; Y559-L569 HydrophobicContact CE2-CD2 4.37Å; Y559-L569 HydrophobicContact CG-CD1 3.87Å
560	C	84.5	Confident	73.3	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.007	37%	0.372	C	S	.	.			trans	-152.3	174.5	165	58.2	0	0	0	0	108.3	C519 R562 L566	C519-C560 VanDerWaalsContact CA-SG 3.53Å; C519-C560 HydrophobicContact CB-CB 3.69Å; C519-C560 WeakPolarHBondContact CB-SG 3.1Å; C519-C560 WeakPolarHBondContact SG-CB 3.31Å; C519-C560 CovalentContact SG-SG 2.04Å; C519-C560 PolarHBondContact SG-SG 2.82Å; C560-R562 PolarHBondContact O-N 3.39Å; C560-R562 PolarHBondContact SG-NE 3.05Å; C560-R562 VanDerWaalsContact SG-NE 3.36Å; C560-L566 VanDerWaalsContact O-CD1 3.27Å; C560-L566 WeakPolarHBondContact O-CD1 3.23Å
561	D	79.2	Confident	74.1	Confident	44 Å²	44	66.3 Å²	66.3	24%	0.235	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-76.4	88.4	-175.8	-172.6	8.6	0	0	0	112.4	P510 K511 L566	P510-D561 PolarHBondContact O-N 3.06Å; P510-D561 VanDerWaalsContact O-N 3.1Å; K511-D561 WeakPolarHBondContact CA-O 3.13Å; K511-D561 WeakPolarHBondContact CE-OD2 3.08Å; K511-D561 HydrophobicContact CG-CB 3.71Å; K511-D561 VanDerWaalsContact CG-OD2 3.25Å; K511-D561 WeakPolarHBondContact CG-OD2 2.99Å; K511-D561 IonicContact NZ-OD2 2.81Å; D561-L566 VanDerWaalsContact CA-CD1 3.5Å; D561-L566 HydrophobicContact CB-CD1 3.98Å
562	R	70.6	Confident	74.6	Confident	59 Å²	59	64.5 Å²	64.5	22%	0.223	35%	0.352	C	S	.	.	S	Bend	trans	-120.3	140.4	170.9	-54.7	169.6	-178.7	-178	-1.8	108.3	Q517 C519 C560 N564 E565	Q517-R562 VanDerWaalsContact C-NH2 3.35Å; Q517-R562 PolarHBondContact O-NH2 3.2Å; C519-R562 PolarHBondContact SG-NH2 2.97Å; C560-R562 PolarHBondContact O-N 3.39Å; C560-R562 PolarHBondContact SG-NE 3.05Å; C560-R562 VanDerWaalsContact SG-NE 3.36Å; R562-N564 PolarHBondContact O-N 3.17Å; R562-E565 HydrophobicContact CB-CG 4.45Å; R562-E565 WeakPolarHBondContact O-CB 3.26Å; R562-E565 WeakPolarHBondContact O-CG 3.23Å; R562-E565 PolarHBondContact O-N 2.89Å
563	S	64.4	Low	74	Confident	115 Å²	115	64 Å²	64	80%	0.804	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	24.2	152.9	-50.6	0	0	0	0	117.8	E565	S563-E565 VanDerWaalsContact C-N 3.3Å; S563-E565 PolarHBondContact O-N 2.81Å
564	N	65.4	Low	72.9	Confident	119 Å²	119	65.8 Å²	65.8	64%	0.636	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	22.6	-169.5	-54.4	-11.5	0	0	0	115.5	R562 L566 E567	R562-N564 PolarHBondContact O-N 3.17Å; N564-L566 PolarHBondContact O-N 3.48Å; N564-E567 HydrophobicContact CB-CB 4.46Å; N564-E567 HydrophobicContact CB-CG 3.94Å; N564-E567 WeakPolarHBondContact O-CB 3.13Å; N564-E567 PolarHBondContact O-N 2.77Å
565	E	71.2	Confident	71.2	Confident	67 Å²	67	64.9 Å²	64.9	31%	0.313	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-55.8	-35.5	176.3	-72.7	173.2	-164.6	0	0	111.9	R562 S563 E567 S568	R562-E565 HydrophobicContact CB-CG 4.45Å; R562-E565 WeakPolarHBondContact O-CB 3.26Å; R562-E565 WeakPolarHBondContact O-CG 3.23Å; R562-E565 PolarHBondContact O-N 2.89Å; S563-E565 VanDerWaalsContact C-N 3.3Å; S563-E565 PolarHBondContact O-N 2.81Å; E565-E567 VanDerWaalsContact C-N 3.27Å; E565-E567 PolarHBondContact O-N 2.84Å; E565-S568 WeakPolarHBondContact O-CB 3.24Å; E565-S568 PolarHBondContact O-N 2.85Å; E565-S568 VanDerWaalsContact O-N 3.13Å; E565-S568 PolarHBondContact O-OG 2.76Å
566	L	76.4	Confident	69.5	Low	10 Å²	10	72.1 Å²	72.1	5%	0.052	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-65.9	-23.7	175.4	-73.7	84.2	0	0	0	113.8	I507 L509 C560 D561 N564 S568 L569	I507-L566 HydrophobicContact CB-CD2 4.44Å; I507-L566 HydrophobicContact CD1-CD2 4.26Å; I507-L566 HydrophobicContact CG1-CD2 3.93Å; I507-L566 HydrophobicContact CG2-CB 4.44Å; I507-L566 HydrophobicContact CG2-CD2 4Å; L509-L566 HydrophobicContact CB-CD2 4.13Å; L509-L566 HydrophobicContact CD1-CD2 4.27Å; L509-L566 HydrophobicContact CG-CD2 4.31Å; C560-L566 VanDerWaalsContact O-CD1 3.27Å; C560-L566 WeakPolarHBondContact O-CD1 3.23Å; D561-L566 VanDerWaalsContact CA-CD1 3.5Å; D561-L566 HydrophobicContact CB-CD1 3.98Å; N564-L566 PolarHBondContact O-N 3.48Å; L566-S568 PolarHBondContact O-N 3.14Å; L566-L569 WeakPolarHBondContact O-CB 3.31Å; L566-L569 PolarHBondContact O-N 3.19Å; L566-L569 VanDerWaalsContact O-N 3.11Å
567	E	76.3	Confident	68.2	Low	107 Å²	107	77.4 Å²	77.4	50%	0.5	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-68.9	-27.2	175.1	-57.3	-56.6	143.7	0	0	111.2	N564 E565 L569 K570	N564-E567 HydrophobicContact CB-CB 4.46Å; N564-E567 HydrophobicContact CB-CG 3.94Å; N564-E567 WeakPolarHBondContact O-CB 3.13Å; N564-E567 PolarHBondContact O-N 2.77Å; E565-E567 VanDerWaalsContact C-N 3.27Å; E565-E567 PolarHBondContact O-N 2.84Å; E567-L569 PolarHBondContact O-N 2.81Å; E567-K570 PolarHBondContact O-N 2.6Å; E567-K570 IonicContact OE1-NZ 3.06Å; E567-K570 PolarHBondContact OE1-NZ 3.05Å; E567-K570 WeakPolarHBondContact OE2-CD 3.4Å; E567-K570 WeakPolarHBondContact OE2-CE 3.37Å; E567-K570 IonicContact OE2-NZ 2.63Å; E567-K570 PolarHBondContact OE2-NZ 2.81Å
568	S	75	Confident	66.9	Low	78 Å²	78	79.8 Å²	79.8	55%	0.545	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-71	-18.5	172.1	78	0	0	0	0	113.4	E565 L566 P581	E565-S568 WeakPolarHBondContact O-CB 3.24Å; E565-S568 PolarHBondContact O-N 2.85Å; E565-S568 VanDerWaalsContact O-N 3.13Å; E565-S568 PolarHBondContact O-OG 2.76Å; L566-S568 PolarHBondContact O-N 3.14Å; S568-P581 WeakPolarHBondContact O-CB 3.41Å
569	L	80.4	Confident	66.1	Low	1 Å²	1	84.1 Å²	84.1	1%	0.005	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-85.6	-12	176.2	-67.9	-177.6	0	0	0	113.4	F504 I507 M524 Y559 L566 E567 P581 I582	F504-L569 HydrophobicContact CD2-CB 3.95Å; F504-L569 HydrophobicContact CE2-CD1 4.44Å; F504-L569 PolarHBondContact N-O 2.97Å; I507-L569 HydrophobicContact CD1-CD1 4.39Å; M524-L569 HydrophobicContact CE-CD1 3.83Å; Y559-L569 HydrophobicContact CD1-CD1 3.83Å; Y559-L569 HydrophobicContact CD1-CD2 4.45Å; Y559-L569 HydrophobicContact CD1-CG 4.35Å; Y559-L569 HydrophobicContact CD2-CD1 4.22Å; Y559-L569 HydrophobicContact CE1-CD1 4.13Å; Y559-L569 HydrophobicContact CE1-CD2 3.9Å; Y559-L569 HydrophobicContact CE1-CG 4.23Å; Y559-L569 HydrophobicContact CE2-CD1 4.49Å; Y559-L569 HydrophobicContact CE2-CD2 4.37Å; Y559-L569 HydrophobicContact CG-CD1 3.87Å; L566-L569 WeakPolarHBondContact O-CB 3.31Å; L566-L569 PolarHBondContact O-N 3.19Å; L566-L569 VanDerWaalsContact O-N 3.11Å; E567-L569 PolarHBondContact O-N 2.81Å; L569-P581 HydrophobicContact CD2-CB 4.3Å; L569-P581 HydrophobicContact CD2-CG 4.23Å; L569-P581 WeakPolarHBondContact O-CG 3.18Å; L569-I582 HydrophobicContact CD2-CD1 4.18Å; L569-I582 HydrophobicContact CD2-CG1 4.22Å
570	K	81.2	Confident	65.7	Low	70 Å²	70	82.8 Å²	82.8	30%	0.304	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-87.8	145.5	-175.9	-66.9	-178.9	-161.5	165.1	0	113.2	F504 E567 G572	F504-K570 CarbonylContact O-C 3.54Å; F504-K570 WeakPolarHBondContact O-CA 3.37Å; E567-K570 PolarHBondContact O-N 2.6Å; E567-K570 IonicContact OE1-NZ 3.06Å; E567-K570 PolarHBondContact OE1-NZ 3.05Å; E567-K570 WeakPolarHBondContact OE2-CD 3.4Å; E567-K570 WeakPolarHBondContact OE2-CE 3.37Å; E567-K570 IonicContact OE2-NZ 2.63Å; E567-K570 PolarHBondContact OE2-NZ 2.81Å; K570-G572 PolarHBondContact O-N 3.21Å
571	I	73.2	Confident	65.4	Low	32 Å²	32	83.4 Å²	83.4	16%	0.164	46%	0.456	C	S	.	.			trans	-78.1	105.5	174.8	-59.9	176.8	0	0	0	108.8	F504 S573 Y580 N610	F504-I571 PolarHBondContact O-N 2.82Å; I571-S573 PolarHBondContact O-N 2.75Å; I571-Y580 HydrophobicContact CD1-CD1 4.42Å; I571-Y580 HydrophobicContact CD1-CE1 4.04Å; I571-N610 HydrophobicContact CD1-CB 3.77Å
572	G	60.6	Low	65.6	Low	56 Å²	56	81.5 Å²	81.5	58%	0.577	45%	0.446	S	S	*	.			trans	-66.4	115	-178	0	0	0	0	0	113.4	K570 G574	K570-G572 PolarHBondContact O-N 3.21Å; G572-G574 PolarHBondContact O-N 3.42Å
573	S	48.6	Very low	66.2	Low	133 Å²	133	80.1 Å²	80.1	93%	0.93	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	91.2	178	46.7	0	0	0	0	112.3	I571	I571-S573 PolarHBondContact O-N 2.75Å
574	G	43.7	Very low	67	Low	74 Å²	74	74.6 Å²	74.6	76%	0.763	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.6	-12.1	172.2	0	0	0	0	0	117.9	G572	G572-G574 PolarHBondContact O-N 3.42Å
575	F	36.9	Very low	67.4	Low	151 Å²	151	71.9 Å²	71.9	66%	0.662	39%	0.387	S	S	*	.			trans	-104.8	140.2	-179.5	-69.2	-84.3	0	0	0	112	H577	F575-H577 PolarHBondContact O-N 3.07Å
576	Q	43	Very low	67.6	Low	197 Å²	197	70.6 Å²	70.6	92%	0.921	38%	0.38	S	S	*	.	S	Bend	trans	-69.1	1	-174.1	-66.7	178.7	-77	0	0	114.9
577	H	49.7	Very low	67.9	Low	168 Å²	168	71.1 Å²	71.1	78%	0.778	38%	0.383	S	S	*	.	S	Bend	trans	-127.8	109.2	170.7	-62.7	-59	0	0	0	109.5	F575 Y579	F575-H577 PolarHBondContact O-N 3.07Å; H577-Y579 PolarHBondContact O-N 2.84Å
578	H	54.6	Low	68.3	Low	104 Å²	104	67.1 Å²	67.1	48%	0.481	37%	0.366	S	S	.	.			trans	-59.3	111.1	171.9	-65.4	127.9	0	0	0	110	Y580 R612	H578-Y580 HydrophobicContact CB-CD2 4.43Å; H578-Y580 HydrophobicContact CB-CE2 3.46Å; H578-Y580 VanDerWaalsContact CB-CE2 3.46Å; H578-Y580 WeakPolarHBondContact O-CD2 3.36Å; H578-Y580 WeakPolarHBondContact O-CE2 3.45Å; H578-R612 PolarHBondContact O-NH2 3.36Å
579	Y	66.9	Low	68.9	Low	145 Å²	145	63.4 Å²	63.4	57%	0.569	34%	0.34	S	S	*	.			trans	-85.3	128.7	175.2	-172.2	-97.3	0	0	0	109.2	L532 H577 P581	L532-Y579 HydrophobicContact CD1-CE1 4.23Å; L532-Y579 WeakPolarHBondContact CD1-OH 3.49Å; H577-Y579 PolarHBondContact O-N 2.84Å; Y579-P581 HydrophobicContact CE1-CB 4.34Å
580	Y	77.1	Confident	69.3	Low	8 Å²	8	63.4 Å²	63.4	3%	0.031	34%	0.34	C	S	.	.			trans	-114	108.4	-179.7	-65.6	-102.7	0	0	0	106.7	E464 I502 I571 H578 I582 N610 R612	E464-Y580 PolarHBondContact OE1-OH 3.4Å; E464-Y580 PolarHBondContact OE2-OH 2.82Å; E464-Y580 VanDerWaalsContact OE2-OH 3.05Å; I502-Y580 CarbonylContact O-C 3.54Å; I571-Y580 HydrophobicContact CD1-CD1 4.42Å; I571-Y580 HydrophobicContact CD1-CE1 4.04Å; H578-Y580 HydrophobicContact CB-CD2 4.43Å; H578-Y580 HydrophobicContact CB-CE2 3.46Å; H578-Y580 VanDerWaalsContact CB-CE2 3.46Å; H578-Y580 WeakPolarHBondContact O-CD2 3.36Å; H578-Y580 WeakPolarHBondContact O-CE2 3.45Å; Y580-I582 VanDerWaalsContact C-N 3.29Å; Y580-I582 PolarHBondContact O-N 2.94Å; Y580-N610 HydrophobicContact CE1-CB 4.49Å; Y580-R612 HydrophobicContact CE1-CG 4.22Å; Y580-R612 VanDerWaalsContact CZ-NE 3.29Å
581	P	79.2	Confident	69.8	Low	13 Å²	13	60.2 Å²	60.2	8%	0.084	33%	0.326	C	S	.	.	S	Bend	trans	-70.1	-24.3	-171.2	22.2	-30	0	0	0	113.4	I502 L532 S568 L569 Y579	I502-P581 WeakPolarHBondContact O-CD 3.33Å; L532-P581 VanDerWaalsContact CD1-O 3.23Å; L532-P581 WeakPolarHBondContact CD1-O 3.41Å; S568-P581 WeakPolarHBondContact O-CB 3.41Å; L569-P581 HydrophobicContact CD2-CB 4.3Å; L569-P581 HydrophobicContact CD2-CG 4.23Å; L569-P581 WeakPolarHBondContact O-CG 3.18Å; Y579-P581 HydrophobicContact CE1-CB 4.34Å
582	I	83.8	Confident	70.7	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121	175.7	-60.3	170.8	0	0	0	108.7	S501 I502 F504 V526 L569 Y580 L589	S501-I582 CarbonylContact C-O 3.28Å; S501-I582 WeakPolarHBondContact CA-O 3.49Å; I502-I582 HydrophobicContact CB-CB 4.25Å; I502-I582 PolarHBondContact N-O 3.41Å; I502-I582 PolarHBondContact O-N 3.39Å; I502-I582 VanDerWaalsContact O-N 3.09Å; F504-I582 HydrophobicContact CE2-CD1 4.02Å; V526-I582 HydrophobicContact CG1-CG2 4.06Å; V526-I582 HydrophobicContact CG2-CD1 4.17Å; L569-I582 HydrophobicContact CD2-CD1 4.18Å; L569-I582 HydrophobicContact CD2-CG1 4.22Å; Y580-I582 VanDerWaalsContact C-N 3.29Å; Y580-I582 PolarHBondContact O-N 2.94Å; I582-L589 HydrophobicContact CG2-CD1 4.07Å; I582-L589 HydrophobicContact CG2-CD2 3.84Å
583	V	81.9	Confident	72.1	Confident	29 Å²	29	58 Å²	58	18%	0.176	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.3	176.2	-177.6	0	0	0	0	109.8	S529 R530	S529-V583 CarbonylContact C-O 3.51Å; S529-V583 WeakPolarHBondContact CA-O 3.23Å; R530-V583 PolarHBondContact N-O 3.09Å
584	G	80.9	Confident	74.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-63.6	140.2	177.3	0	0	0	0	0	112.8	S499 V500	S499-G584 WeakPolarHBondContact CB-O 3.44Å; V500-G584 PolarHBondContact O-N 2.85Å
585	R	75.2	Confident	76.2	Confident	62 Å²	62	49.2 Å²	49.2	23%	0.234	22%	0.224	C	C	.	.	S	Bend	trans	-81.4	-27.8	175.6	-162.5	174.6	-156.6	-167.9	2.6	112.6	G528 R530 T541	G528-R585 VanDerWaalsContact O-CB 3.29Å; G528-R585 WeakPolarHBondContact O-CB 3.33Å; G528-R585 PolarHBondContact O-N 2.96Å; R530-R585 HydrophobicContact CG-CB 3.83Å; R530-R585 HydrophobicContact CG-CG 3.88Å; R530-R585 PolarHBondContact NH2-O 3.33Å; T541-R585 VanDerWaalsContact O-CZ 3.27Å; T541-R585 PolarHBondContact O-NH1 3.12Å; T541-R585 PolarHBondContact O-NH2 2.9Å; T541-R585 VanDerWaalsContact O-NH2 3.07Å
586	H	75.3	Confident	78.5	Confident	39 Å²	39	44.7 Å²	44.7	18%	0.181	21%	0.208	C	C	.	.	S	Bend	trans	-141.1	-170	178.6	-125.5	58.5	0	0	0	109.5	I497 V588 N677	I497-H586 HydrophobicContact CD1-CB 4.38Å; H586-V588 PolarHBondContact O-N 3.15Å; H586-N677 PolarHBondContact NE2-ND2 2.78Å
587	N	81.8	Confident	80.3	Confident	22 Å²	22	37.5 Å²	37.5	12%	0.118	19%	0.187	C	C	.	.	S	Bend	trans	-75.5	6.6	176.5	78.1	-50.2	0	0	0	114.9	I489 G490 I497 E498	I489-N587 CarbonylContact C-O 3.53Å; I489-N587 WeakPolarHBondContact CA-O 3.37Å; G490-N587 PolarHBondContact N-O 2.92Å; G490-N587 WeakPolarHBondContact O-CB 3.49Å; G490-N587 PolarHBondContact O-ND2 3.27Å; I497-N587 HydrophobicContact CB-CB 4.21Å; I497-N587 HydrophobicContact CG2-CB 4.48Å; E498-N587 VanDerWaalsContact O-CA 3.32Å; E498-N587 WeakPolarHBondContact O-CA 3.37Å
588	V	84.5	Confident	81.9	Confident	22 Å²	22	30.3 Å²	30.3	13%	0.133	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.1	174	-177.7	0	0	0	0	109.6	I487 F488 H586	I487-V588 HydrophobicContact CG2-CG1 4.26Å; F488-V588 WeakPolarHBondContact O-CA 3.35Å; H586-V588 PolarHBondContact O-N 3.15Å
589	L	87.8	Confident	83.1	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.8	169	-176.8	96.4	0	0	0	108.4	F488 V500 I502 V526 I582	F488-L589 HydrophobicContact CB-CB 4.38Å; F488-L589 HydrophobicContact CD2-CD2 4.31Å; F488-L589 PolarHBondContact N-O 3.36Å; F488-L589 PolarHBondContact O-N 3.1Å; V500-L589 HydrophobicContact CG1-CB 3.62Å; V500-L589 HydrophobicContact CG1-CD2 3.8Å; V500-L589 HydrophobicContact CG1-CG 4.26Å; I502-L589 HydrophobicContact CD1-CD2 3.47Å; I502-L589 VanDerWaalsContact CD1-CD2 3.47Å; I502-L589 HydrophobicContact CG1-CD2 4.39Å; V526-L589 HydrophobicContact CG1-CD1 4.01Å; V526-L589 HydrophobicContact CG1-CG 4.47Å; I582-L589 HydrophobicContact CG2-CD1 4.07Å; I582-L589 HydrophobicContact CG2-CD2 3.84Å
590	L	89.9	Confident	83.6	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.9	174.5	162.3	66.2	0	0	0	109.6	N485 I487 Y527 I548	N485-L590 HydrophobicContact CB-CD1 3.69Å; I487-L590 HydrophobicContact CG1-CD1 4Å; Y527-L590 HydrophobicContact CD2-CB 4.44Å; Y527-L590 HydrophobicContact CD2-CD2 3.82Å; Y527-L590 HydrophobicContact CD2-CG 3.89Å; Y527-L590 HydrophobicContact CE2-CD2 4.25Å; Y527-L590 HydrophobicContact CG-CD2 4.3Å; Y527-L590 PolarHBondContact N-O 2.8Å; Y527-L590 PolarHBondContact O-N 2.86Å; I548-L590 HydrophobicContact CG2-CB 4.09Å
591	M	91.5	Very high	83.5	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.1	169.5	176.8	179.5	65.5	0	0	108.5	F486 F488 F504 M524 F593 F607 L609	F486-M591 HydrophobicContact CB-CB 4.34Å; F486-M591 HydrophobicContact CB-CE 3.71Å; F486-M591 HydrophobicContact CD2-CE 4.03Å; F486-M591 HydrophobicContact CG-CE 3.9Å; F486-M591 PolarHBondContact N-O 2.7Å; F486-M591 PolarHBondContact O-N 3.04Å; F488-M591 HydrophobicContact CE2-CE 4.19Å; F488-M591 HydrophobicContact CZ-CE 4.49Å; F504-M591 HydrophobicContact CE1-SD 4.35Å; F504-M591 HydrophobicContact CZ-SD 3.78Å; M524-M591 HydrophobicContact CG-CG 3.83Å; M524-M591 HydrophobicContact CG-SD 4.36Å; M524-M591 HydrophobicContact SD-CG 3.84Å; M524-M591 HydrophobicContact SD-SD 3.56Å; M591-F593 HydrophobicContact CE-CE2 3.82Å; M591-F593 HydrophobicContact CG-CD2 4.46Å; M591-F593 HydrophobicContact CG-CE2 3.91Å; M591-F593 HydrophobicContact SD-CE2 3.85Å; M591-F593 HydrophobicContact SD-CZ 4.35Å; M591-F607 HydrophobicContact CE-CE2 4.05Å; M591-F607 HydrophobicContact CE-CZ 3.93Å; M591-L609 HydrophobicContact CE-CD2 3.57Å; M591-L609 HydrophobicContact SD-CD2 4.34Å
592	R	91	Very high	83.6	Confident	42 Å²	42	36.9 Å²	36.9	16%	0.158	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.8	-175.1	176.1	176	-73.2	155.4	-3.7	110.4	V483 C484 N485 M524 A525 Y527	V483-R592 HydrophobicContact CG1-CG 3.52Å; C484-R592 WeakPolarHBondContact O-CA 3.47Å; N485-R592 PolarHBondContact OD1-NE 2.78Å; N485-R592 PolarHBondContact OD1-NH2 2.84Å; M524-R592 CarbonylContact C-O 3.54Å; M524-R592 WeakPolarHBondContact CA-O 3.42Å; A525-R592 HydrophobicContact CB-CB 4.46Å; A525-R592 PolarHBondContact N-O 2.97Å; A525-R592 PolarHBondContact O-N 2.97Å; Y527-R592 HydrophobicContact CE2-CB 4Å; Y527-R592 PolarHBondContact OH-NH1 2.84Å; Y527-R592 VanDerWaalsContact OH-NH1 3.07Å
593	F	91.1	Very high	83.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.5	166.4	-72.9	-99.8	0	0	0	108.8	V483 C484 F486 L509 M524 M591 L603 M605 F607	V483-F593 WeakPolarHBondContact CA-O 3.02Å; C484-F593 PolarHBondContact N-O 2.96Å; C484-F593 PolarHBondContact O-N 2.92Å; F486-F593 AromaticContact CD2-CD2 3.78Å; F486-F593 HydrophobicContact CD2-CD2 3.78Å; F486-F593 HydrophobicContact CD2-CE2 4.05Å; F486-F593 AromaticContact CE2-CD2 3.66Å; F486-F593 HydrophobicContact CE2-CD2 3.66Å; F486-F593 HydrophobicContact CE2-CE2 4.07Å; L509-F593 HydrophobicContact CD2-CD1 4.03Å; L509-F593 HydrophobicContact CD2-CE1 3.8Å; M524-F593 HydrophobicContact CB-CD1 4.29Å; M524-F593 HydrophobicContact CB-CE1 4.07Å; M524-F593 HydrophobicContact CB-CZ 4.31Å; M524-F593 HydrophobicContact CG-CD2 4.44Å; M524-F593 HydrophobicContact CG-CE1 4.12Å; M524-F593 HydrophobicContact CG-CE2 4.03Å; M524-F593 HydrophobicContact CG-CZ 3.86Å; M524-F593 HydrophobicContact SD-CE1 4.11Å; M524-F593 HydrophobicContact SD-CE2 3.98Å; M524-F593 HydrophobicContact SD-CZ 3.51Å; M524-F593 VanDerWaalsContact SD-CZ 3.51Å; M591-F593 HydrophobicContact CE-CE2 3.82Å; M591-F593 HydrophobicContact CG-CD2 4.46Å; M591-F593 HydrophobicContact CG-CE2 3.91Å; M591-F593 HydrophobicContact SD-CE2 3.85Å; M591-F593 HydrophobicContact SD-CZ 4.35Å; F593-L603 HydrophobicContact CB-CD2 4.22Å; F593-L603 HydrophobicContact CD1-CD2 4.38Å; F593-M605 HydrophobicContact CB-CG 4.29Å; F593-M605 HydrophobicContact CB-SD 3.72Å; F593-M605 HydrophobicContact CD1-CG 3.72Å; F593-M605 HydrophobicContact CD1-SD 4.25Å; F593-M605 HydrophobicContact CD2-CG 4.3Å; F593-M605 HydrophobicContact CD2-SD 4.04Å; F593-M605 HydrophobicContact CE1-CG 4.07Å; F593-M605 HydrophobicContact CG-CG 3.84Å; F593-M605 HydrophobicContact CG-SD 3.74Å; F593-F607 HydrophobicContact CD2-CE1 4.07Å; F593-F607 AromaticContact CE1-CD1 3.96Å; F593-F607 HydrophobicContact CE1-CD1 3.96Å; F593-F607 HydrophobicContact CE1-CE1 4.11Å; F593-F607 AromaticContact CE2-CD1 3.86Å; F593-F607 HydrophobicContact CE2-CD1 3.86Å; F593-F607 AromaticContact CE2-CE1 3.29Å; F593-F607 HydrophobicContact CE2-CE1 3.29Å; F593-F607 AromaticContact CE2-CZ 3.88Å; F593-F607 HydrophobicContact CE2-CZ 3.88Å; F593-F607 AromaticContact CZ-CD1 3.35Å; F593-F607 HydrophobicContact CZ-CD1 3.35Å; F593-F607 AromaticContact CZ-CE1 3.32Å; F593-F607 HydrophobicContact CZ-CE1 3.32Å; F593-F607 HydrophobicContact CZ-CG 4.25Å; F593-F607 HydrophobicContact CZ-CZ 4.21Å
594	N	89.3	Confident	83.5	Confident	22 Å²	22	37.8 Å²	37.8	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.1	-177.9	179.7	13	0	0	0	109.6	G522 H523 T596	G522-N594 CarbonylContact C-O 3.35Å; G522-N594 WeakPolarHBondContact CA-O 3.31Å; H523-N594 PolarHBondContact CE1-ND2 3.45Å; H523-N594 VanDerWaalsContact CE1-ND2 3.3Å; H523-N594 PolarHBondContact N-O 2.98Å; H523-N594 PolarHBondContact NE2-ND2 2.8Å; H523-N594 PolarHBondContact O-N 3.26Å; N594-T596 PolarHBondContact ND2-OG1 2.86Å; N594-T596 VanDerWaalsContact OD1-CG2 3.31Å; N594-T596 WeakPolarHBondContact OD1-CG2 3.39Å; N594-T596 PolarHBondContact OD1-N 2.82Å; N594-T596 PolarHBondContact OD1-OG1 3.25Å
595	S	88.7	Confident	83.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.			trans	-100.1	6.7	-178.3	67.2	0	0	0	0	114.1	T479 D481 R482 G597 T598	T479-S595 PolarHBondContact O-OG 2.85Å; D481-S595 PolarHBondContact N-OG 3.12Å; R482-S595 WeakPolarHBondContact CA-OG 3.2Å; R482-S595 PolarHBondContact N-OG 2.85Å; R482-S595 WeakPolarHBondContact O-CB 3.27Å; R482-S595 PolarHBondContact O-N 3.44Å; R482-S595 PolarHBondContact O-OG 2.94Å; S595-G597 PolarHBondContact O-N 3.09Å; S595-T598 WeakPolarHBondContact O-CB 3.04Å; S595-T598 WeakPolarHBondContact O-CG2 3.38Å; S595-T598 PolarHBondContact O-N 3.16Å; S595-T598 PolarHBondContact O-OG1 3.17Å
596	T	85.3	Confident	84.2	Confident	56 Å²	56	36.3 Å²	36.3	34%	0.344	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	130.3	175.2	52.9	0	0	0	0	111.4	D481 G522 N594 T598	D481-T596 VanDerWaalsContact OD1-CA 3.29Å; D481-T596 WeakPolarHBondContact OD1-CA 3.37Å; G522-T596 PolarHBondContact N-O 2.93Å; N594-T596 PolarHBondContact ND2-OG1 2.86Å; N594-T596 VanDerWaalsContact OD1-CG2 3.31Å; N594-T596 WeakPolarHBondContact OD1-CG2 3.39Å; N594-T596 PolarHBondContact OD1-N 2.82Å; N594-T596 PolarHBondContact OD1-OG1 3.25Å; T596-T598 VanDerWaalsContact C-N 3.34Å
597	G	80.9	Confident	84.9	Confident	45 Å²	45	34.4 Å²	34.4	46%	0.464	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	7.6	-176.6	0	0	0	0	0	115.5	D520 S595	D520-G597 WeakPolarHBondContact O-CA 3.34Å; S595-G597 PolarHBondContact O-N 3.09Å
598	T	82.6	Confident	85.2	Confident	18 Å²	18	34.5 Å²	34.5	11%	0.11	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-76.7	139.7	166.4	55	0	0	0	0	111.7	P480 R521 S595 T596 L603	P480-T598 WeakPolarHBondContact CB-O 3.32Å; P480-T598 WeakPolarHBondContact CG-O 3.16Å; R521-T598 VanDerWaalsContact O-CG2 3.24Å; R521-T598 WeakPolarHBondContact O-CG2 3.45Å; S595-T598 WeakPolarHBondContact O-CB 3.04Å; S595-T598 WeakPolarHBondContact O-CG2 3.38Å; S595-T598 PolarHBondContact O-N 3.16Å; S595-T598 PolarHBondContact O-OG1 3.17Å; T596-T598 VanDerWaalsContact C-N 3.34Å; T598-L603 HydrophobicContact CG2-CB 4.13Å
599	E	80.6	Confident	85.5	Confident	148 Å²	148	33.5 Å²	33.5	69%	0.692	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-80.8	160.6	166.8	-67.7	173.6	-136	0	0	109.9	G602	E599-G602 PolarHBondContact O-N 2.82Å
600	L	77.7	Confident	85.6	Confident	150 Å²	150	35 Å²	35	79%	0.785	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	134.6	175.8	-72.9	171.5	0	0	0	110.5	P480	P480-L600 HydrophobicContact CG-CD2 4.14Å
601	P	74.5	Confident	85.6	Confident	92 Å²	92	35 Å²	35	60%	0.597	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.6	-12.3	20	36	-38.5	0	0	0	115.9	V477	V477-P601 HydrophobicContact CG2-CB 3.82Å; V477-P601 HydrophobicContact CG2-CG 4.2Å; V477-P601 VanDerWaalsContact CG2-O 3.3Å; V477-P601 WeakPolarHBondContact CG2-O 3.28Å
602	G	82	Confident	85.4	Confident	17 Å²	17	38.4 Å²	38.4	18%	0.175	21%	0.212	C	C	.	.			trans	128.8	-163.4	-179.1	0	0	0	0	0	114.2	L478 E599	L478-G602 CarbonylContact O-C 3.51Å; L478-G602 WeakPolarHBondContact O-CA 3.41Å; E599-G602 PolarHBondContact O-N 2.82Å
603	L	83.3	Confident	85.3	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-81.6	119.3	-178.6	-179.5	66.1	0	0	0	112	L478 L509 P510 F593 T598 M605	L478-L603 HydrophobicContact CB-CB 4.24Å; L478-L603 HydrophobicContact CD2-CD2 4.26Å; L478-L603 PolarHBondContact N-O 2.82Å; L478-L603 PolarHBondContact O-N 2.93Å; L509-L603 HydrophobicContact CD2-CD1 4.44Å; P510-L603 HydrophobicContact CG-CD1 3.61Å; F593-L603 HydrophobicContact CB-CD2 4.22Å; F593-L603 HydrophobicContact CD1-CD2 4.38Å; T598-L603 HydrophobicContact CG2-CB 4.13Å; L603-M605 PolarHBondContact O-N 2.85Å
604	N	80.7	Confident	84.9	Confident	53 Å²	53	40 Å²	40	28%	0.283	22%	0.22	S	C	.	.			trans	-76.5	85.1	172	179.4	41.8	0	0	0	111.2	V477 E508 K606	V477-N604 HydrophobicContact CG1-CB 4.4Å; E508-N604 PolarHBondContact OE2-ND2 2.99Å; N604-K606 VanDerWaalsContact C-N 3.31Å; N604-K606 PolarHBondContact O-N 2.67Å; N604-K606 VanDerWaalsContact OD1-CD 3.23Å; N604-K606 WeakPolarHBondContact OD1-CD 3.24Å; N604-K606 WeakPolarHBondContact OD1-CE 3.38Å; N604-K606 WeakPolarHBondContact OD1-CG 3.42Å
605	M	83.3	Confident	84.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.			trans	-80.7	66.3	-176.9	-171.9	178.5	69.1	0	0	112.1	S469 T471 C484 F486 F593 L603 F607	S469-M605 WeakPolarHBondContact CB-O 3.38Å; S469-M605 PolarHBondContact OG-O 2.85Å; T471-M605 PolarHBondContact OG1-O 3.12Å; C484-M605 HydrophobicContact CB-CE 4.32Å; C484-M605 HydrophobicContact CB-SD 3.94Å; F486-M605 HydrophobicContact CE2-CE 4.28Å; F486-M605 HydrophobicContact CE2-SD 3.78Å; F486-M605 HydrophobicContact CZ-CE 3.94Å; F486-M605 HydrophobicContact CZ-SD 4.04Å; F593-M605 HydrophobicContact CB-CG 4.29Å; F593-M605 HydrophobicContact CB-SD 3.72Å; F593-M605 HydrophobicContact CD1-CG 3.72Å; F593-M605 HydrophobicContact CD1-SD 4.25Å; F593-M605 HydrophobicContact CD2-CG 4.3Å; F593-M605 HydrophobicContact CD2-SD 4.04Å; F593-M605 HydrophobicContact CE1-CG 4.07Å; F593-M605 HydrophobicContact CG-CG 3.84Å; F593-M605 HydrophobicContact CG-SD 3.74Å; L603-M605 PolarHBondContact O-N 2.85Å; M605-F607 HydrophobicContact CG-CD1 4.19Å; M605-F607 HydrophobicContact CG-CE1 3.84Å; M605-F607 HydrophobicContact SD-CE1 4.45Å
606	K	86.1	Confident	84.3	Confident	30 Å²	30	42.4 Å²	42.4	13%	0.13	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.9	178.9	-73.1	177.8	-170.4	-90.4	0	111.1	T471 M472 N474 E508 N604	T471-K606 WeakPolarHBondContact O-CE 3.49Å; T471-K606 PolarHBondContact O-NZ 3.12Å; M472-K606 HydrophobicContact CE-CB 4.09Å; M472-K606 PolarHBondContact O-NZ 3.07Å; N474-K606 PolarHBondContact O-NZ 2.92Å; E508-K606 HydrophobicContact CB-CB 4.31Å; E508-K606 PolarHBondContact N-O 3.13Å; N604-K606 VanDerWaalsContact C-N 3.31Å; N604-K606 PolarHBondContact O-N 2.67Å; N604-K606 VanDerWaalsContact OD1-CD 3.23Å; N604-K606 WeakPolarHBondContact OD1-CD 3.24Å; N604-K606 WeakPolarHBondContact OD1-CE 3.38Å; N604-K606 WeakPolarHBondContact OD1-CG 3.42Å
607	F	89.5	Confident	84.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.1	174.8	62.3	-97.2	0	0	0	112.7	F467 S469 M472 F486 F504 Q506 I507 M591 F593 M605 L609	F467-F607 AromaticContact CD1-CE2 3.96Å; F467-F607 HydrophobicContact CD1-CE2 3.96Å; F467-F607 HydrophobicContact CE1-CE2 4.04Å; F467-F607 HydrophobicContact CE1-CZ 4.33Å; S469-F607 PolarHBondContact N-O 2.92Å; S469-F607 PolarHBondContact OG-N 2.8Å; M472-F607 VanDerWaalsContact CE-N 3.32Å; M472-F607 WeakPolarHBondContact CE-O 3.02Å; F486-F607 HydrophobicContact CD1-CZ 4.21Å; F486-F607 HydrophobicContact CD2-CZ 4.17Å; F486-F607 AromaticContact CE1-CZ 3.9Å; F486-F607 HydrophobicContact CE1-CZ 3.9Å; F486-F607 HydrophobicContact CE2-CE1 4.05Å; F486-F607 AromaticContact CE2-CZ 3.84Å; F486-F607 HydrophobicContact CE2-CZ 3.84Å; F486-F607 HydrophobicContact CG-CZ 4.35Å; F486-F607 HydrophobicContact CZ-CE1 4.11Å; F486-F607 AromaticContact CZ-CZ 3.71Å; F486-F607 HydrophobicContact CZ-CZ 3.71Å; F504-F607 HydrophobicContact CD1-CB 4.13Å; F504-F607 HydrophobicContact CE1-CB 4.14Å; F504-F607 HydrophobicContact CE1-CD2 4.21Å; F504-F607 HydrophobicContact CE1-CG 4.28Å; Q506-F607 CarbonylContact O-C 3.56Å; Q506-F607 WeakPolarHBondContact O-CA 3.4Å; Q506-F607 WeakPolarHBondContact O-CB 3.43Å; I507-F607 HydrophobicContact CB-CB 4.26Å; I507-F607 HydrophobicContact CG1-CB 4.38Å; M591-F607 HydrophobicContact CE-CE2 4.05Å; M591-F607 HydrophobicContact CE-CZ 3.93Å; F593-F607 HydrophobicContact CD2-CE1 4.07Å; F593-F607 AromaticContact CE1-CD1 3.96Å; F593-F607 HydrophobicContact CE1-CD1 3.96Å; F593-F607 HydrophobicContact CE1-CE1 4.11Å; F593-F607 AromaticContact CE2-CD1 3.86Å; F593-F607 HydrophobicContact CE2-CD1 3.86Å; F593-F607 AromaticContact CE2-CE1 3.29Å; F593-F607 HydrophobicContact CE2-CE1 3.29Å; F593-F607 AromaticContact CE2-CZ 3.88Å; F593-F607 HydrophobicContact CE2-CZ 3.88Å; F593-F607 AromaticContact CZ-CD1 3.35Å; F593-F607 HydrophobicContact CZ-CD1 3.35Å; F593-F607 AromaticContact CZ-CE1 3.32Å; F593-F607 HydrophobicContact CZ-CE1 3.32Å; F593-F607 HydrophobicContact CZ-CG 4.25Å; F593-F607 HydrophobicContact CZ-CZ 4.21Å; M605-F607 HydrophobicContact CG-CD1 4.19Å; M605-F607 HydrophobicContact CG-CE1 3.84Å; M605-F607 HydrophobicContact SD-CE1 4.45Å; F607-L609 HydrophobicContact CD2-CD2 3.8Å; F607-L609 HydrophobicContact CD2-CG 4.29Å; F607-L609 HydrophobicContact CE2-CD2 3.58Å; F607-L609 HydrophobicContact CE2-CG 4.32Å
608	I	89.6	Confident	84	Confident	24 Å²	24	38.4 Å²	38.4	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.7	166.6	-54.4	-178.2	0	0	0	105.7	Q466 E468 M472 E505 Q506	Q466-I608 HydrophobicContact CG-CG2 3.61Å; E468-I608 HydrophobicContact CG-CG1 4.34Å; M472-I608 HydrophobicContact CE-CD1 4.38Å; M472-I608 HydrophobicContact CE-CG1 3.63Å; M472-I608 HydrophobicContact SD-CG1 4.48Å; E505-I608 HydrophobicContact CB-CB 4.3Å; E505-I608 HydrophobicContact CB-CG2 4.19Å; E505-I608 PolarHBondContact N-O 3.14Å; Q506-I608 HydrophobicContact CB-CB 4.39Å; Q506-I608 HydrophobicContact CB-CG1 4.34Å; Q506-I608 PolarHBondContact N-O 3.06Å; Q506-I608 PolarHBondContact O-N 2.71Å; Q506-I608 VanDerWaalsContact O-O 3.11Å
609	L	90.5	Very high	84	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.2	178	66.1	86	0	0	0	111.6	Q466 F467 F488 I502 G503 F504 M591 F607 Y611	Q466-L609 CarbonylContact C-O 3.58Å; Q466-L609 WeakPolarHBondContact CA-O 3.14Å; F467-L609 HydrophobicContact CB-CD1 4Å; F467-L609 HydrophobicContact CB-CG 4.28Å; F467-L609 PolarHBondContact N-O 3.13Å; F467-L609 PolarHBondContact O-N 2.94Å; F488-L609 HydrophobicContact CE1-CD1 4.07Å; F488-L609 HydrophobicContact CZ-CD1 3.92Å; F488-L609 HydrophobicContact CZ-CD2 4.08Å; I502-L609 HydrophobicContact CG2-CB 4.12Å; I502-L609 HydrophobicContact CG2-CD1 4.08Å; I502-L609 HydrophobicContact CG2-CD2 4.32Å; I502-L609 HydrophobicContact CG2-CG 4.41Å; G503-L609 WeakPolarHBondContact O-CA 3.5Å; F504-L609 HydrophobicContact CD1-CB 3.76Å; F504-L609 HydrophobicContact CE1-CB 3.89Å; F504-L609 HydrophobicContact CE1-CD2 3.98Å; F504-L609 HydrophobicContact CG-CB 4.37Å; F504-L609 HydrophobicContact CZ-CD2 4.42Å; M591-L609 HydrophobicContact CE-CD2 3.57Å; M591-L609 HydrophobicContact SD-CD2 4.34Å; F607-L609 HydrophobicContact CD2-CD2 3.8Å; F607-L609 HydrophobicContact CD2-CG 4.29Å; F607-L609 HydrophobicContact CE2-CD2 3.58Å; F607-L609 HydrophobicContact CE2-CG 4.32Å; L609-Y611 HydrophobicContact CD1-CD1 3.84Å; L609-Y611 HydrophobicContact CD1-CG 4.35Å
610	N	89.7	Confident	83.9	Confident	32 Å²	32	32 Å²	32	17%	0.171	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.3	167.5	-66.8	3	0	0	0	108.9	E464 K465 I502 G503 I571 Y580	E464-N610 HydrophobicContact CG-CB 4.41Å; E464-N610 WeakPolarHBondContact OE1-CB 3.37Å; E464-N610 PolarHBondContact OE1-ND2 3.42Å; K465-N610 CarbonylContact O-C 3.57Å; K465-N610 WeakPolarHBondContact O-CA 3.47Å; I502-N610 WeakPolarHBondContact CA-O 3.48Å; G503-N610 PolarHBondContact N-O 3.05Å; G503-N610 PolarHBondContact O-N 3.26Å; I571-N610 HydrophobicContact CD1-CB 3.77Å; Y580-N610 HydrophobicContact CE1-CB 4.49Å
611	Y	90	Very high	83.7	Confident	3 Å²	3	27.1 Å²	27.1	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.2	178.8	69.2	-78.5	0	0	0	111.2	I457 E464 K465 F467 F488 S501 L609 F613	I457-Y611 HydrophobicContact CG2-CD2 3.99Å; I457-Y611 HydrophobicContact CG2-CE1 4.23Å; I457-Y611 HydrophobicContact CG2-CE2 3.36Å; I457-Y611 VanDerWaalsContact CG2-CZ 3.49Å; E464-Y611 WeakPolarHBondContact CA-O 3.36Å; K465-Y611 HydrophobicContact CB-CD1 4.24Å; K465-Y611 HydrophobicContact CB-CE1 3.59Å; K465-Y611 HydrophobicContact CB-CE2 4.14Å; K465-Y611 PolarHBondContact N-O 3.41Å; K465-Y611 WeakPolarHBondContact O-CD1 3.44Å; K465-Y611 PolarHBondContact O-N 2.92Å; F467-Y611 HydrophobicContact CB-CD1 4.26Å; F467-Y611 HydrophobicContact CB-CE1 3.95Å; F488-Y611 HydrophobicContact CD1-CD2 4.34Å; F488-Y611 HydrophobicContact CD1-CG 4.44Å; F488-Y611 HydrophobicContact CE1-CD1 4.38Å; F488-Y611 HydrophobicContact CE1-CD2 4.34Å; F488-Y611 HydrophobicContact CE1-CG 4.04Å; S501-Y611 CarbonylContact O-C 3.59Å; S501-Y611 VanDerWaalsContact O-CA 3.27Å; S501-Y611 WeakPolarHBondContact O-CA 3.47Å; L609-Y611 HydrophobicContact CD1-CD1 3.84Å; L609-Y611 HydrophobicContact CD1-CG 4.35Å; Y611-F613 HydrophobicContact CD2-CD2 4.34Å; Y611-F613 AromaticContact CD2-CE2 3.84Å; Y611-F613 HydrophobicContact CD2-CE2 3.84Å; Y611-F613 HydrophobicContact CD2-CZ 4.5Å; Y611-F613 HydrophobicContact CE2-CD2 4.43Å; Y611-F613 AromaticContact CE2-CE2 3.79Å; Y611-F613 HydrophobicContact CE2-CE2 3.79Å
612	R	87.8	Confident	83.9	Confident	74 Å²	74	26.5 Å²	26.5	28%	0.279	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.3	169.3	57.4	-179.1	174.7	150.2	-5.7	111.1	E464 S501 H578 Y580 K614	E464-R612 HydrophobicContact CB-CB 4.32Å; S501-R612 PolarHBondContact N-O 3.06Å; S501-R612 PolarHBondContact O-N 2.81Å; H578-R612 PolarHBondContact O-NH2 3.36Å; Y580-R612 HydrophobicContact CE1-CG 4.22Å; Y580-R612 VanDerWaalsContact CZ-NE 3.29Å; R612-K614 VanDerWaalsContact CZ-CE 3.47Å
613	F	88.1	Confident	83.6	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137	172	-68.3	-78.8	0	0	0	109.8	S462 F488 E498 V500 Y611	S462-F613 WeakPolarHBondContact CA-O 3.16Å; F488-F613 HydrophobicContact CB-CZ 4.49Å; E498-F613 HydrophobicContact CB-CB 4.23Å; E498-F613 HydrophobicContact CB-CD1 4.41Å; V500-F613 HydrophobicContact CB-CD1 3.96Å; V500-F613 HydrophobicContact CB-CE1 3.75Å; V500-F613 HydrophobicContact CB-CZ 4.49Å; V500-F613 HydrophobicContact CG2-CD1 4.22Å; V500-F613 HydrophobicContact CG2-CE1 3.92Å; V500-F613 HydrophobicContact CG2-CZ 4.2Å; Y611-F613 HydrophobicContact CD2-CD2 4.34Å; Y611-F613 AromaticContact CD2-CE2 3.84Å; Y611-F613 HydrophobicContact CD2-CE2 3.84Å; Y611-F613 HydrophobicContact CD2-CZ 4.5Å; Y611-F613 HydrophobicContact CE2-CD2 4.43Å; Y611-F613 AromaticContact CE2-CE2 3.79Å; Y611-F613 HydrophobicContact CE2-CE2 3.79Å
614	K	82.7	Confident	83.3	Confident	70 Å²	70	31.3 Å²	31.3	30%	0.304	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.9	-177.1	-65.5	175.7	-176.7	159.1	0	110.7	E498 S499 S501 R612 D616	E498-K614 CarbonylContact C-O 3.44Å; E498-K614 VanDerWaalsContact CA-O 3.24Å; E498-K614 WeakPolarHBondContact CA-O 3.37Å; S499-K614 PolarHBondContact N-O 3.18Å; S499-K614 PolarHBondContact O-N 2.82Å; S501-K614 WeakPolarHBondContact OG-CD 3.21Å; S501-K614 WeakPolarHBondContact OG-CE 3.38Å; S501-K614 PolarHBondContact OG-NZ 3.26Å; R612-K614 VanDerWaalsContact CZ-CE 3.47Å; K614-D616 PolarHBondContact O-N 3.38Å
615	K	84	Confident	83	Confident	60 Å²	60	32 Å²	32	26%	0.261	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	129.8	168.1	-61	178.6	174	165.9	0	110	Y496 E627	Y496-K615 HydrophobicContact CD2-CB 4.04Å; Y496-K615 HydrophobicContact CD2-CG 3.96Å; Y496-K615 HydrophobicContact CE1-CD 4.3Å; Y496-K615 HydrophobicContact CE1-CG 4.46Å; Y496-K615 HydrophobicContact CE2-CB 4.27Å; Y496-K615 HydrophobicContact CE2-CD 4.35Å; Y496-K615 HydrophobicContact CE2-CG 3.67Å; Y496-K615 HydrophobicContact CG-CB 4.4Å; K615-E627 IonicContact NZ-OE1 3.75Å; K615-E627 PolarHBondContact NZ-OE1 3.4Å
616	D	81.8	Confident	82.4	Confident	14 Å²	14	36.6 Å²	36.6	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	122.2	-175.6	-167.6	-49.6	0	0	0	109.6	I497 S499 R530 K614 G618	I497-D616 HydrophobicContact CG1-CB 4.24Å; I497-D616 WeakPolarHBondContact CG1-O 3.18Å; I497-D616 PolarHBondContact N-O 3.06Å; I497-D616 WeakPolarHBondContact O-CB 3.24Å; I497-D616 PolarHBondContact O-N 3.5Å; S499-D616 WeakPolarHBondContact CB-OD2 3.38Å; S499-D616 WeakPolarHBondContact OG-CB 3.35Å; S499-D616 PolarHBondContact OG-OD2 3.42Å; R530-D616 IonicContact CZ-OD1 3.1Å; R530-D616 IonicContact CZ-OD2 2.75Å; R530-D616 VanDerWaalsContact CZ-OD2 3.24Å; R530-D616 IonicContact NH1-OD1 2.78Å; R530-D616 PolarHBondContact NH1-OD1 2.56Å; R530-D616 IonicContact NH1-OD2 2.7Å; R530-D616 PolarHBondContact NH1-OD2 3.38Å; R530-D616 VanDerWaalsContact NH2-CG 3.29Å; R530-D616 IonicContact NH2-OD1 3.19Å; R530-D616 PolarHBondContact NH2-OD1 3.18Å; R530-D616 IonicContact NH2-OD2 3.44Å; R530-D616 PolarHBondContact NH2-OD2 3.29Å; K614-D616 PolarHBondContact O-N 3.38Å; D616-G618 PolarHBondContact OD1-N 3.03Å
617	F	83	Confident	81.7	Confident	12 Å²	12	41.2 Å²	41.2	5%	0.053	22%	0.223	C	C	.	.			trans	-92.7	4.1	-175.4	-60.7	-88.7	0	0	0	112.7	Q495 Y496 I619 M623 S628 C629 F631 P673 L674	Q495-F617 WeakPolarHBondContact O-CD1 3.39Å; Y496-F617 HydrophobicContact CD1-CE1 4.37Å; F617-I619 VanDerWaalsContact C-N 3.27Å; F617-I619 HydrophobicContact CB-CD1 4.17Å; F617-I619 PolarHBondContact O-N 3.42Å; F617-M623 HydrophobicContact CD2-CE 3.83Å; F617-M623 HydrophobicContact CE2-CE 3.66Å; F617-S628 VanDerWaalsContact CE2-C 3.41Å; F617-S628 WeakPolarHBondContact CE2-O 3.23Å; F617-C629 HydrophobicContact CD1-CB 3.8Å; F617-C629 HydrophobicContact CD2-CB 4.33Å; F617-C629 HydrophobicContact CE1-CB 3.82Å; F617-C629 HydrophobicContact CE2-CB 4.35Å; F617-C629 HydrophobicContact CG-CB 4.07Å; F617-C629 HydrophobicContact CZ-CB 4.11Å; F617-F631 HydrophobicContact CB-CE2 4.28Å; F617-F631 HydrophobicContact CB-CZ 4.11Å; F617-F631 HydrophobicContact CD2-CE2 4.35Å; F617-F631 HydrophobicContact CD2-CZ 4.11Å; F617-P673 WeakPolarHBondContact O-CA 2.95Å; F617-L674 PolarHBondContact O-N 3.23Å
618	G	77.2	Confident	81.2	Confident	5 Å²	5	42.2 Å²	42.2	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	74.9	12.2	-177.1	0	0	0	0	0	115	Y542 D616 N671	Y542-G618 PolarHBondContact OH-O 3.08Å; D616-G618 PolarHBondContact OD1-N 3.03Å; G618-N671 PolarHBondContact O-ND2 3.25Å
619	I	82.9	Confident	81.1	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.031	23%	0.228	C	C	.	.			trans	-106	134.6	-174.9	-65.2	166.5	0	0	0	109.9	F617 F631 Y633 N671 P673 Y687	F617-I619 VanDerWaalsContact C-N 3.27Å; F617-I619 HydrophobicContact CB-CD1 4.17Å; F617-I619 PolarHBondContact O-N 3.42Å; I619-F631 HydrophobicContact CB-CD1 4.34Å; I619-F631 HydrophobicContact CB-CD2 4.24Å; I619-F631 HydrophobicContact CB-CE1 3.93Å; I619-F631 HydrophobicContact CB-CE2 3.84Å; I619-F631 HydrophobicContact CB-CG 4.5Å; I619-F631 HydrophobicContact CB-CZ 3.68Å; I619-F631 HydrophobicContact CD1-CD2 4.2Å; I619-F631 HydrophobicContact CD1-CE2 3.76Å; I619-F631 HydrophobicContact CD1-CZ 4.37Å; I619-F631 HydrophobicContact CG1-CE2 4.39Å; I619-F631 HydrophobicContact CG2-CB 4.47Å; I619-F631 HydrophobicContact CG2-CD1 3.79Å; I619-F631 HydrophobicContact CG2-CD2 3.74Å; I619-F631 HydrophobicContact CG2-CE1 3.9Å; I619-F631 HydrophobicContact CG2-CE2 3.88Å; I619-F631 HydrophobicContact CG2-CG 3.72Å; I619-F631 HydrophobicContact CG2-CZ 3.97Å; I619-F631 WeakPolarHBondContact O-CE1 3.48Å; I619-Y633 WeakPolarHBondContact CG2-OH 3.29Å; I619-N671 WeakPolarHBondContact CA-OD1 3.22Å; I619-P673 HydrophobicContact CD1-CB 4.48Å; I619-P673 HydrophobicContact CD1-CG 4.02Å; I619-Y687 HydrophobicContact CD1-CE1 4.15Å; I619-Y687 WeakPolarHBondContact CD1-OH 3.34Å; I619-Y687 HydrophobicContact CG2-CD1 4.47Å; I619-Y687 HydrophobicContact CG2-CE1 3.84Å
620	P	77.3	Confident	80.9	Confident	25 Å²	25	43 Å²	43	16%	0.162	23%	0.234	C	C	.	.			trans	-77.9	162.9	173.9	38.3	-40.5	0	0	0	111	Y633 W669 N671	P620-Y633 WeakPolarHBondContact O-CE1 3.17Å; P620-Y633 VanDerWaalsContact O-CZ 3.26Å; P620-Y633 PolarHBondContact O-OH 3.34Å; P620-W669 HydrophobicContact CB-CH2 3.61Å; P620-W669 HydrophobicContact CB-CZ2 3.86Å; P620-W669 HydrophobicContact CB-CZ3 4.17Å; P620-W669 HydrophobicContact CG-CD2 4.34Å; P620-W669 HydrophobicContact CG-CE3 3.89Å; P620-W669 HydrophobicContact CG-CH2 3.43Å; P620-W669 VanDerWaalsContact CG-CH2 3.43Å; P620-W669 HydrophobicContact CG-CZ2 3.96Å; P620-W669 HydrophobicContact CG-CZ3 3.44Å; P620-W669 VanDerWaalsContact CG-CZ3 3.44Å; P620-W669 WeakPolarHBondContact CG-O 3.39Å; P620-N671 WeakPolarHBondContact CD-OD1 3.45Å
621	G	73.6	Confident	80.8	Confident	47 Å²	47	41.6 Å²	41.6	49%	0.485	23%	0.227	S	C	.	.	S	Bend	trans	114.9	-177.6	177.1	0	0	0	0	0	112.1
622	T	78.8	Confident	80.6	Confident	79 Å²	79	44 Å²	44	49%	0.485	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.8	179	55.4	0	0	0	0	110	I624 F631 M632	T622-I624 PolarHBondContact O-N 2.7Å; T622-F631 CarbonylContact O-C 3.57Å; T622-F631 WeakPolarHBondContact O-CA 3.37Å; T622-M632 PolarHBondContact N-O 3.42Å; T622-M632 VanDerWaalsContact N-O 3.15Å; T622-M632 PolarHBondContact O-N 3.49Å; T622-M632 PolarHBondContact OG1-O 3.05Å
623	M	74.9	Confident	80.5	Confident	66 Å²	66	40.7 Å²	40.7	33%	0.325	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.2	175.9	-67.9	178.6	75.6	0	0	110.1	F617 P626 S628 Q630 F631	F617-M623 HydrophobicContact CD2-CE 3.83Å; F617-M623 HydrophobicContact CE2-CE 3.66Å; M623-P626 WeakPolarHBondContact CE-O 3.36Å; M623-S628 WeakPolarHBondContact CE-O 3.2Å; M623-Q630 CarbonylContact C-O 3.6Å; M623-Q630 WeakPolarHBondContact CA-O 3.49Å; M623-F631 HydrophobicContact CG-CD1 4.01Å; M623-F631 HydrophobicContact CG-CE1 3.47Å; M623-F631 VanDerWaalsContact CG-CE1 3.47Å; M623-F631 HydrophobicContact CG-CZ 3.93Å; M623-F631 HydrophobicContact SD-CE1 4.39Å; M623-F631 HydrophobicContact SD-CZ 4.48Å
624	I	78.7	Confident	80.1	Confident	53 Å²	53	42.3 Å²	42.3	27%	0.272	24%	0.236	S	C	.	.	S	Bend	trans	-70.9	-40.6	178.4	-61	175.5	0	0	0	110.2	T622 Q630 M632 L688 I751	T622-I624 PolarHBondContact O-N 2.7Å; I624-Q630 HydrophobicContact CB-CB 4.08Å; I624-Q630 HydrophobicContact CD1-CB 4.38Å; I624-Q630 PolarHBondContact N-O 2.9Å; I624-M632 HydrophobicContact CD1-CB 4.08Å; I624-M632 HydrophobicContact CG1-CB 3.81Å; I624-L688 HydrophobicContact CD1-CB 4.34Å; I624-L688 HydrophobicContact CD1-CD2 4.24Å; I624-I751 HydrophobicContact CD1-CG2 4.36Å; I624-I751 HydrophobicContact CG2-CG2 3.75Å
625	N	74	Confident	79.6	Confident	69 Å²	69	39.4 Å²	39.4	37%	0.369	23%	0.225	S	C	.	.	S	Bend	trans	-135.9	122.2	172	165.2	4.5	0	0	0	108.1	E627 S628	N625-E627 PolarHBondContact O-N 3.36Å; N625-E627 PolarHBondContact OD1-N 3.45Å; N625-S628 WeakPolarHBondContact CB-OG 3.29Å; N625-S628 PolarHBondContact O-N 2.78Å; N625-S628 VanDerWaalsContact O-N 3.08Å; N625-S628 PolarHBondContact O-OG 2.83Å; N625-S628 VanDerWaalsContact O-OG 3.09Å
626	P	70.7	Confident	78.7	Confident	96 Å²	96	39.5 Å²	39.5	62%	0.623	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.3	-173.9	27.2	-36.8	0	0	0	114.8	M623	M623-P626 WeakPolarHBondContact CE-O 3.36Å
627	E	71.9	Confident	77.3	Confident	126 Å²	126	42.1 Å²	42.1	59%	0.589	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.9	178.3	-63.8	-120.3	95.1	0	0	114	K615 N625	K615-E627 IonicContact NZ-OE1 3.75Å; K615-E627 PolarHBondContact NZ-OE1 3.4Å; N625-E627 PolarHBondContact O-N 3.36Å; N625-E627 PolarHBondContact OD1-N 3.45Å
628	S	77.8	Confident	75.5	Confident	22 Å²	22	48.1 Å²	48.1	15%	0.154	28%	0.279	C	S	.	.	S	Bend	trans	-134.1	155.5	-166.4	70.4	0	0	0	0	113.6	F617 M623 N625 Q630	F617-S628 VanDerWaalsContact CE2-C 3.41Å; F617-S628 WeakPolarHBondContact CE2-O 3.23Å; M623-S628 WeakPolarHBondContact CE-O 3.2Å; N625-S628 WeakPolarHBondContact CB-OG 3.29Å; N625-S628 PolarHBondContact O-N 2.78Å; N625-S628 VanDerWaalsContact O-N 3.08Å; N625-S628 PolarHBondContact O-OG 2.83Å; N625-S628 VanDerWaalsContact O-OG 3.09Å; S628-Q630 PolarHBondContact O-N 2.86Å; S628-Q630 WeakPolarHBondContact OG-CG 3.38Å
629	C	87.1	Confident	73.5	Confident	11 Å²	11	52 Å²	52	7%	0.074	31%	0.305	C	S	.	.	S	Bend	trans	-78.2	64.2	176.8	-161	0	0	0	0	111.4	F617 C685 L686	F617-C629 HydrophobicContact CD1-CB 3.8Å; F617-C629 HydrophobicContact CD2-CB 4.33Å; F617-C629 HydrophobicContact CE1-CB 3.82Å; F617-C629 HydrophobicContact CE2-CB 4.35Å; F617-C629 HydrophobicContact CG-CB 4.07Å; F617-C629 HydrophobicContact CZ-CB 4.11Å; C629-C685 HydrophobicContact CB-CB 3.93Å; C629-C685 WeakPolarHBondContact CB-SG 3.29Å; C629-C685 CarbonylContact O-C 3.5Å; C629-C685 VanDerWaalsContact O-CA 3.31Å; C629-C685 WeakPolarHBondContact O-CA 3.45Å; C629-C685 WeakPolarHBondContact SG-CB 3.44Å; C629-C685 CovalentContact SG-SG 2.03Å; C629-C685 PolarHBondContact SG-SG 3.32Å; C629-L686 PolarHBondContact O-N 3.16Å
630	Q	87.6	Confident	70.9	Confident	28 Å²	28	58 Å²	58	13%	0.131	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	115.9	-174.1	-62.4	-179.4	-1	0	0	110.1	M623 I624 S628 L686	M623-Q630 CarbonylContact C-O 3.6Å; M623-Q630 WeakPolarHBondContact CA-O 3.49Å; I624-Q630 HydrophobicContact CB-CB 4.08Å; I624-Q630 HydrophobicContact CD1-CB 4.38Å; I624-Q630 PolarHBondContact N-O 2.9Å; S628-Q630 PolarHBondContact O-N 2.86Å; S628-Q630 WeakPolarHBondContact OG-CG 3.38Å; Q630-L686 WeakPolarHBondContact CA-O 3.44Å; Q630-L686 HydrophobicContact CB-CB 4.49Å; Q630-L686 HydrophobicContact CG-CB 4.12Å
631	F	87.9	Confident	68.5	Low	4 Å²	4	62.4 Å²	62.4	2%	0.018	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.3	-169.5	-65.9	-93	0	0	0	112.2	F617 I619 T622 M623 Y633 L686 Y687 L688	F617-F631 HydrophobicContact CB-CE2 4.28Å; F617-F631 HydrophobicContact CB-CZ 4.11Å; F617-F631 HydrophobicContact CD2-CE2 4.35Å; F617-F631 HydrophobicContact CD2-CZ 4.11Å; I619-F631 HydrophobicContact CB-CD1 4.34Å; I619-F631 HydrophobicContact CB-CD2 4.24Å; I619-F631 HydrophobicContact CB-CE1 3.93Å; I619-F631 HydrophobicContact CB-CE2 3.84Å; I619-F631 HydrophobicContact CB-CG 4.5Å; I619-F631 HydrophobicContact CB-CZ 3.68Å; I619-F631 HydrophobicContact CD1-CD2 4.2Å; I619-F631 HydrophobicContact CD1-CE2 3.76Å; I619-F631 HydrophobicContact CD1-CZ 4.37Å; I619-F631 HydrophobicContact CG1-CE2 4.39Å; I619-F631 HydrophobicContact CG2-CB 4.47Å; I619-F631 HydrophobicContact CG2-CD1 3.79Å; I619-F631 HydrophobicContact CG2-CD2 3.74Å; I619-F631 HydrophobicContact CG2-CE1 3.9Å; I619-F631 HydrophobicContact CG2-CE2 3.88Å; I619-F631 HydrophobicContact CG2-CG 3.72Å; I619-F631 HydrophobicContact CG2-CZ 3.97Å; I619-F631 WeakPolarHBondContact O-CE1 3.48Å; T622-F631 CarbonylContact O-C 3.57Å; T622-F631 WeakPolarHBondContact O-CA 3.37Å; M623-F631 HydrophobicContact CG-CD1 4.01Å; M623-F631 HydrophobicContact CG-CE1 3.47Å; M623-F631 VanDerWaalsContact CG-CE1 3.47Å; M623-F631 HydrophobicContact CG-CZ 3.93Å; M623-F631 HydrophobicContact SD-CE1 4.39Å; M623-F631 HydrophobicContact SD-CZ 4.48Å; F631-Y633 HydrophobicContact CB-CE2 3.82Å; F631-Y633 WeakPolarHBondContact CB-OH 3.29Å; F631-L686 PolarHBondContact N-O 3.43Å; F631-Y687 CarbonylContact O-C 3.56Å; F631-Y687 WeakPolarHBondContact O-CA 3.39Å; F631-L688 PolarHBondContact O-N 3.43Å
632	M	84.1	Confident	66.4	Low	53 Å²	53	64.7 Å²	64.7	26%	0.261	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.2	176.3	-171.7	171.3	66.6	0	0	111.6	T622 I624 V634 L688 I751	T622-M632 PolarHBondContact N-O 3.42Å; T622-M632 VanDerWaalsContact N-O 3.15Å; T622-M632 PolarHBondContact O-N 3.49Å; T622-M632 PolarHBondContact OG1-O 3.05Å; I624-M632 HydrophobicContact CD1-CB 4.08Å; I624-M632 HydrophobicContact CG1-CB 3.81Å; M632-V634 HydrophobicContact CE-CG1 4.26Å; M632-V634 HydrophobicContact CG-CG1 4.24Å; M632-V634 HydrophobicContact SD-CG1 4.38Å; M632-L688 CarbonylContact C-O 3.6Å; M632-L688 WeakPolarHBondContact CA-O 3.2Å; M632-I751 HydrophobicContact SD-CD1 4.48Å
633	Y	87.4	Confident	63.9	Low	5 Å²	5	65.4 Å²	65.4	2%	0.02	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	108.5	-178.5	-52.7	-87	0	0	0	109.1	I619 P620 F631 T670 Y687 L688 I689 T690 Y836	I619-Y633 WeakPolarHBondContact CG2-OH 3.29Å; P620-Y633 WeakPolarHBondContact O-CE1 3.17Å; P620-Y633 VanDerWaalsContact O-CZ 3.26Å; P620-Y633 PolarHBondContact O-OH 3.34Å; F631-Y633 HydrophobicContact CB-CE2 3.82Å; F631-Y633 WeakPolarHBondContact CB-OH 3.29Å; Y633-T670 PolarHBondContact OH-OG1 3.3Å; Y633-Y687 AromaticContact CE2-CD1 3.98Å; Y633-Y687 HydrophobicContact CE2-CD1 3.98Å; Y633-L688 PolarHBondContact N-O 2.97Å; Y633-I689 HydrophobicContact CD2-CG1 3.72Å; Y633-I689 HydrophobicContact CG-CG1 4.19Å; Y633-I689 WeakPolarHBondContact O-CA 3.24Å; Y633-T690 PolarHBondContact O-N 3.2Å; Y633-Y836 AromaticContact CD1-CE1 3.62Å; Y633-Y836 HydrophobicContact CD1-CE1 3.62Å; Y633-Y836 AromaticContact CD1-CZ 3.74Å; Y633-Y836 HydrophobicContact CE1-CE1 4.24Å; Y633-Y836 HydrophobicContact CG-CE1 4.08Å
634	V	79.6	Confident	61.7	Low	37 Å²	37	72.3 Å²	72.3	22%	0.224	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	155.6	178	-64.1	0	0	0	0	110.9	M632 P636 T690	M632-V634 HydrophobicContact CE-CG1 4.26Å; M632-V634 HydrophobicContact CG-CG1 4.24Å; M632-V634 HydrophobicContact SD-CG1 4.38Å; V634-P636 WeakPolarHBondContact O-CD 3.36Å; V634-T690 WeakPolarHBondContact CA-O 3.4Å; V634-T690 HydrophobicContact CG1-CG2 4.05Å
635	N	71.6	Confident	59.3	Low	10 Å²	10	73.4 Å²	73.4	5%	0.053	42%	0.423	C	S	.	.			trans	-74.8	118.1	167.8	-170.3	-11.3	0	0	0	109.3	S637 F666 Q699 F838	N635-S637 PolarHBondContact ND2-OG 3.13Å; N635-S637 PolarHBondContact O-N 2.87Å; N635-S637 PolarHBondContact OD1-N 2.78Å; N635-S637 PolarHBondContact OD1-OG 3.42Å; N635-F666 WeakPolarHBondContact OD1-CB 3.38Å; N635-Q699 PolarHBondContact ND2-OE1 2.92Å; N635-F838 HydrophobicContact CB-CD2 3.59Å; N635-F838 HydrophobicContact CB-CE2 3.72Å; N635-F838 HydrophobicContact CB-CG 4.02Å; N635-F838 HydrophobicContact CB-CZ 4.27Å
636	P	64.5	Low	57.1	Low	62 Å²	62	76.4 Å²	76.4	40%	0.403	45%	0.449	S	S	.	.			trans	-75	-1.7	-177.8	31	-35.5	0	0	0	114	V634 Q638 S639 F666	V634-P636 WeakPolarHBondContact O-CD 3.36Å; P636-Q638 PolarHBondContact O-N 3.34Å; P636-S639 PolarHBondContact O-OG 2.96Å; P636-F666 HydrophobicContact CG-CD1 4.33Å; P636-F666 HydrophobicContact CG-CD2 3.49Å; P636-F666 VanDerWaalsContact CG-CD2 3.49Å; P636-F666 HydrophobicContact CG-CE1 4.28Å; P636-F666 HydrophobicContact CG-CE2 3.45Å; P636-F666 VanDerWaalsContact CG-CE2 3.45Å; P636-F666 HydrophobicContact CG-CG 3.95Å; P636-F666 HydrophobicContact CG-CZ 3.86Å
637	S	53.2	Low	55.2	Low	69 Å²	69	77.4 Å²	77.4	48%	0.483	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	120.7	178	65.5	0	0	0	0	111.9	N635	N635-S637 PolarHBondContact ND2-OG 3.13Å; N635-S637 PolarHBondContact O-N 2.87Å; N635-S637 PolarHBondContact OD1-N 2.78Å; N635-S637 PolarHBondContact OD1-OG 3.42Å
638	Q	45.7	Very low	53.3	Low	138 Å²	138	75 Å²	75	65%	0.645	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	19.1	177.2	-47.8	-171.3	34.8	0	0	117.8	P636 T640	P636-Q638 PolarHBondContact O-N 3.34Å; Q638-T640 PolarHBondContact O-N 3.4Å
639	S	34.4	Very low	51.2	Low	85 Å²	85	75.6 Å²	75.6	59%	0.594	46%	0.459	S	S	*	.			trans	-72.1	94.8	163.8	53.5	0	0	0	0	111.7	P636 T641	P636-S639 PolarHBondContact O-OG 2.96Å; S639-T641 PolarHBondContact O-N 3.32Å
640	T	27.2	Very low	48.6	Very low	133 Å²	133	78.5 Å²	78.5	82%	0.816	48%	0.48	S	S	*	.			trans	-78	72.3	-174.2	53.8	0	0	0	0	114.3	Q638	Q638-T640 PolarHBondContact O-N 3.4Å
641	T	28.4	Very low	46	Very low	117 Å²	117	81.7 Å²	81.7	72%	0.718	51%	0.505	S	S	*	.			trans	-158	87.6	155.3	19.8	0	0	0	0	112.6	S639 V643	S639-T641 PolarHBondContact O-N 3.32Å; T641-V643 HydrophobicContact CG2-CG2 3.73Å; T641-V643 PolarHBondContact O-N 2.99Å
642	S	28.5	Very low	43.4	Very low	95 Å²	95	90.5 Å²	90.5	66%	0.664	55%	0.546	S	S	*	.			trans	-78.4	69.2	161.1	62.5	0	0	0	0	110.2	F644 S645	S642-F644 PolarHBondContact O-N 2.82Å; S642-S645 PolarHBondContact OG-OG 2.96Å
643	V	27.2	Very low	41.1	Very low	95 Å²	95	93 Å²	93	58%	0.576	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	66.4	174.2	-175.2	0	0	0	0	109.4	T641	T641-V643 HydrophobicContact CG2-CG2 3.73Å; T641-V643 PolarHBondContact O-N 2.99Å
644	F	27.3	Very low	38.3	Very low	210 Å²	210	98.1 Å²	98.1	92%	0.921	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.2	44.4	152.2	-95.8	-58.5	0	0	0	111.2	S642	S642-F644 PolarHBondContact O-N 2.82Å
645	S	29.2	Very low	36	Very low	77 Å²	77	102 Å²	102	54%	0.538	63%	0.632	S	S	.	*	S	Bend	trans	-126.1	117.7	162.5	56.5	0	0	0	0	110.5	S642 S647	S642-S645 PolarHBondContact OG-OG 2.96Å; S645-S647 PolarHBondContact O-N 3.11Å
646	S	27.5	Very low	34	Very low	131 Å²	131	107.5 Å²	107.5	92%	0.916	67%	0.671	S	S	*	*			trans	-74.9	87.1	-171.1	44.8	0	0	0	0	112.4	S648	S646-S648 PolarHBondContact O-N 2.64Å
647	S	30.9	Very low	32.4	Very low	117 Å²	117	109.4 Å²	109.4	82%	0.818	69%	0.686	S	S	*	*			trans	-93.1	83.6	-176.4	46	0	0	0	0	113.1	S645	S645-S647 PolarHBondContact O-N 3.11Å
648	S	32	Very low	31.2	Very low	76 Å²	76	112.9 Å²	112.9	53%	0.531	71%	0.705	S	S	.	*			trans	-85.2	116.2	165	97.7	0	0	0	0	110.7	S646 R1166	S646-S648 PolarHBondContact O-N 2.64Å; S648-R1166 PolarHBondContact OG-NH2 3.03Å
649	S	34.8	Very low	30.5	Very low	35 Å²	35	111.2 Å²	111.2	25%	0.245	71%	0.708	C	S	.	*			trans	62.4	121.5	160.8	53.3	0	0	0	0	119.5	R1166	S649-R1166 WeakPolarHBondContact OG-CG 3.29Å; S649-R1166 PolarHBondContact OG-NE 3.1Å
650	S	31.3	Very low	30.2	Very low	71 Å²	71	116.5 Å²	116.5	50%	0.497	72%	0.72	S	S	.	*			trans	-58.2	164.7	171.3	48.9	0	0	0	0	117	Y1167	S650-Y1167 CarbonylContact O-C 3.52Å; S650-Y1167 PolarHBondContact O-N 2.92Å; S650-Y1167 PolarHBondContact OG-O 3.34Å
651	S	34.3	Very low	30.4	Very low	96 Å²	96	115.7 Å²	115.7	67%	0.671	72%	0.716	S	S	*	*				-166	108.9	127	58.4	0	0	0	0	112.1
652	E	31.4	Very low	30.5	Very low	188 Å²	188	117.1 Å²	117.1	88%	0.879	72%	0.719	S	S	*	*			trans	-80	175.5	159.9	-88.2	-164.8	154.3	0	0	110.6
653	P	37.1	Very low	31	Very low	107 Å²	107	118.1 Å²	118.1	70%	0.695	72%	0.721	S	S	*	*			cis	-137.3	-179.4	12.5	38.6	-18.6	0	0	0	117.5
654	S	28.3	Very low	32.1	Very low	111 Å²	111	119 Å²	119	78%	0.776	73%	0.727	S	S	*	*			trans	61.7	97.3	146.4	64.1	0	0	0	0	120.5
655	S	32.2	Very low	33.7	Very low	118 Å²	118	111.4 Å²	111.4	83%	0.825	70%	0.695	S	S	*	*				-148.2	141.8	120.5	60.3	0	0	0	0	110.2	S657	S655-S657 PolarHBondContact O-N 2.84Å
656	S	28.3	Very low	35.7	Very low	126 Å²	126	110.7 Å²	110.7	88%	0.881	68%	0.682	S	S	*	*			trans	-77.4	118.1	-171.5	52.9	0	0	0	0	112.6
657	S	31.2	Very low	38.1	Very low	103 Å²	103	108.7 Å²	108.7	72%	0.72	66%	0.657	S	S	*	*			trans	-143.1	125.1	160.3	60.2	0	0	0	0	110.5	S655 S659	S655-S657 PolarHBondContact O-N 2.84Å; S657-S659 PolarHBondContact O-N 2.88Å; S657-S659 VanDerWaalsContact O-N 3.12Å
658	T	28.2	Very low	40.5	Very low	142 Å²	142	103.3 Å²	103.3	87%	0.871	62%	0.621	S	S	*	*			trans	-88.5	81.5	-166.6	-38.2	0	0	0	0	111.2	K660	T658-K660 PolarHBondContact O-N 2.8Å
659	S	31.2	Very low	42.9	Very low	102 Å²	102	101.5 Å²	101.5	71%	0.713	60%	0.602	S	S	*	*			trans	-68.2	111.3	173.9	46.1	0	0	0	0	110.8	S657 T661	S657-S659 PolarHBondContact O-N 2.88Å; S657-S659 VanDerWaalsContact O-N 3.12Å; S659-T661 PolarHBondContact O-N 2.8Å
660	K	28.9	Very low	45.5	Very low	196 Å²	196	99.9 Å²	99.9	85%	0.852	59%	0.591	S	S	*	*			trans	-62.7	108.3	170	-71	179.5	177.5	178.5	0	109.2	T658 N662	T658-K660 PolarHBondContact O-N 2.8Å; K660-N662 PolarHBondContact O-N 2.85Å
661	T	30.4	Very low	48.4	Very low	117 Å²	117	96.5 Å²	96.5	72%	0.718	57%	0.567	S	S	*	*			trans	-66.4	112.1	167.3	49.1	0	0	0	0	108.8	S659 T663	S659-T661 PolarHBondContact O-N 2.8Å; T661-T663 PolarHBondContact O-N 3.43Å
662	N	29.7	Very low	51.2	Low	146 Å²	146	91.9 Å²	91.9	78%	0.781	54%	0.535	S	S	*	.			trans	-62.8	103.5	168.4	-79.5	-17.2	0	0	0	108.4	K660 V664	K660-N662 PolarHBondContact O-N 2.85Å; N662-V664 PolarHBondContact O-N 2.86Å
663	T	39.5	Very low	53.9	Low	116 Å²	116	83 Å²	83	71%	0.712	49%	0.494	S	S	*	.			trans	-72	82.6	170.9	50.8	0	0	0	0	108.6	T661 N665	T661-T663 PolarHBondContact O-N 3.43Å; T663-N665 PolarHBondContact O-N 3.47Å
664	V	51.6	Low	56	Low	115 Å²	115	78.6 Å²	78.6	70%	0.697	46%	0.464	S	S	*	.			trans	-66.8	114.9	171.4	-179.2	0	0	0	0	107.5	N662 F666	N662-V664 PolarHBondContact O-N 2.86Å; V664-F666 PolarHBondContact O-N 3.22Å
665	N	61.1	Low	58.5	Low	49 Å²	49	75.1 Å²	75.1	26%	0.262	43%	0.434	S	S	.	.			trans	-52.8	128	173.1	-64	-8.1	0	0	0	108.9	T663 K667 E837 P840	T663-N665 PolarHBondContact O-N 3.47Å; N665-K667 PolarHBondContact O-N 2.75Å; N665-E837 HydrophobicContact CB-CG 4Å; N665-E837 WeakPolarHBondContact CB-OE1 3.45Å; N665-E837 PolarHBondContact ND2-OE1 3.44Å; N665-P840 WeakPolarHBondContact OD1-CD 3.43Å
666	F	70.9	Confident	60.5	Low	62 Å²	62	71.2 Å²	71.2	27%	0.272	41%	0.406	S	S	.	.			trans	-71.7	122.2	175.4	-177.7	-95.4	0	0	0	109.4	N635 P636 V664 Y836 E837 F838	N635-F666 WeakPolarHBondContact OD1-CB 3.38Å; P636-F666 HydrophobicContact CG-CD1 4.33Å; P636-F666 HydrophobicContact CG-CD2 3.49Å; P636-F666 VanDerWaalsContact CG-CD2 3.49Å; P636-F666 HydrophobicContact CG-CE1 4.28Å; P636-F666 HydrophobicContact CG-CE2 3.45Å; P636-F666 VanDerWaalsContact CG-CE2 3.45Å; P636-F666 HydrophobicContact CG-CG 3.95Å; P636-F666 HydrophobicContact CG-CZ 3.86Å; V664-F666 PolarHBondContact O-N 3.22Å; F666-Y836 HydrophobicContact CD1-CE2 4.35Å; F666-Y836 HydrophobicContact CE1-CE2 4.01Å; F666-E837 WeakPolarHBondContact O-CA 3.01Å; F666-F838 HydrophobicContact CB-CD2 4.26Å; F666-F838 AromaticContact CD1-CD2 3.92Å; F666-F838 HydrophobicContact CD1-CD2 3.92Å; F666-F838 AromaticContact CD1-CE2 3.98Å; F666-F838 HydrophobicContact CD1-CE2 3.98Å; F666-F838 PolarHBondContact O-N 3.27Å; F666-F838 VanDerWaalsContact O-N 3.07Å
667	K	77.5	Confident	62.9	Low	89 Å²	89	67.9 Å²	67.9	39%	0.387	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.1	176.3	-173.5	171.9	-175.6	171.3	0	109.6	N665 S835 Y836 E837 T965	N665-K667 PolarHBondContact O-N 2.75Å; K667-S835 VanDerWaalsContact CE-CB 3.45Å; K667-S835 WeakPolarHBondContact CE-OG 3.31Å; K667-Y836 CarbonylContact C-O 3.55Å; K667-Y836 VanDerWaalsContact CA-O 3.29Å; K667-Y836 WeakPolarHBondContact CA-O 3.32Å; K667-E837 HydrophobicContact CG-CB 4.46Å; K667-T965 PolarHBondContact NZ-OG1 3.09Å
668	G	79.9	Confident	65.6	Low	5 Å²	5	66.8 Å²	66.8	5%	0.052	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-173.6	172.5	0	0	0	0	0	111.7	S835 Y836	G668-S835 CarbonylContact O-C 3.58Å; G668-S835 VanDerWaalsContact O-CA 3.23Å; G668-S835 WeakPolarHBondContact O-CA 3.44Å; G668-S835 WeakPolarHBondContact O-CB 3.13Å; G668-Y836 PolarHBondContact N-O 2.95Å; G668-Y836 PolarHBondContact O-N 3.46Å
669	W	84.1	Confident	68.6	Low	38 Å²	38	60 Å²	60	14%	0.144	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160	177.5	64	-88.4	0	0	0	111.5	I537 P540 P620 L834	I537-W669 HydrophobicContact CG2-CZ2 3.87Å; I537-W669 VanDerWaalsContact CG2-NE1 3.26Å; I537-W669 VanDerWaalsContact O-CD1 3.22Å; I537-W669 PolarHBondContact O-NE1 2.94Å; P540-W669 HydrophobicContact CB-CH2 4.39Å; P540-W669 VanDerWaalsContact CD-CE2 3.42Å; P540-W669 VanDerWaalsContact CD-CH2 3.49Å; P540-W669 HydrophobicContact CG-CE3 4.35Å; P540-W669 HydrophobicContact CG-CH2 3.36Å; P540-W669 HydrophobicContact CG-CZ2 3.67Å; P540-W669 HydrophobicContact CG-CZ3 3.69Å; P620-W669 HydrophobicContact CB-CH2 3.61Å; P620-W669 HydrophobicContact CB-CZ2 3.86Å; P620-W669 HydrophobicContact CB-CZ3 4.17Å; P620-W669 HydrophobicContact CG-CD2 4.34Å; P620-W669 HydrophobicContact CG-CE3 3.89Å; P620-W669 HydrophobicContact CG-CH2 3.43Å; P620-W669 VanDerWaalsContact CG-CH2 3.43Å; P620-W669 HydrophobicContact CG-CZ2 3.96Å; P620-W669 HydrophobicContact CG-CZ3 3.44Å; P620-W669 VanDerWaalsContact CG-CZ3 3.44Å; P620-W669 WeakPolarHBondContact CG-O 3.39Å; W669-L834 CarbonylContact C-O 3.48Å; W669-L834 WeakPolarHBondContact CA-O 3.17Å; W669-L834 WeakPolarHBondContact CB-O 3.49Å
670	T	89.7	Confident	71.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	172.7	171.7	-169.8	0	0	0	0	111.2	Y633 Y687 T833 L834	Y633-T670 PolarHBondContact OH-OG1 3.3Å; T670-Y687 HydrophobicContact CG2-CD1 4.16Å; T670-Y687 HydrophobicContact CG2-CE1 4.45Å; T670-T833 WeakPolarHBondContact O-CA 3.39Å; T670-L834 HydrophobicContact CG2-CD1 3.81Å; T670-L834 HydrophobicContact CG2-CD2 4.1Å; T670-L834 HydrophobicContact CG2-CG 3.81Å; T670-L834 PolarHBondContact N-O 2.89Å; T670-L834 PolarHBondContact O-N 3.34Å
671	N	91.9	Very high	74	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	167.6	-168.4	62.4	-28.4	0	0	0	112	Y542 G618 I619 P620 Y675 Y687 F832 T833	Y542-N671 PolarHBondContact OH-ND2 2.85Å; Y542-N671 VanDerWaalsContact OH-ND2 3.1Å; G618-N671 PolarHBondContact O-ND2 3.25Å; I619-N671 WeakPolarHBondContact CA-OD1 3.22Å; P620-N671 WeakPolarHBondContact CD-OD1 3.45Å; N671-Y675 HydrophobicContact CB-CD1 4.4Å; N671-Y675 HydrophobicContact CB-CG 4.24Å; N671-Y687 VanDerWaalsContact O-CE1 3.27Å; N671-Y687 WeakPolarHBondContact O-CE1 3.33Å; N671-Y687 PolarHBondContact O-OH 2.87Å; N671-F832 CarbonylContact C-O 3.59Å; N671-F832 WeakPolarHBondContact CA-O 3.41Å; N671-F832 WeakPolarHBondContact CB-O 3.38Å; N671-T833 HydrophobicContact CB-CG2 4.06Å
672	S	91.9	Very high	76.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-67.6	161.2	163.9	52.4	0	0	0	0	112.2	L674 Y675 K830 G831 F832	S672-L674 PolarHBondContact O-N 3.09Å; S672-Y675 WeakPolarHBondContact O-CB 3.32Å; S672-Y675 PolarHBondContact O-N 2.97Å; S672-K830 PolarHBondContact OG-O 3.48Å; S672-G831 VanDerWaalsContact OG-CA 3.29Å; S672-G831 WeakPolarHBondContact OG-CA 3.09Å; S672-F832 PolarHBondContact N-O 3.27Å; S672-F832 PolarHBondContact OG-N 2.84Å; S672-F832 PolarHBondContact OG-O 3.04Å
673	P	88.4	Confident	79.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	137.8	176.2	-28.8	35.7	0	0	0	113.6	F617 I619 Y675 C685 F821	F617-P673 WeakPolarHBondContact O-CA 2.95Å; I619-P673 HydrophobicContact CD1-CB 4.48Å; I619-P673 HydrophobicContact CD1-CG 4.02Å; P673-Y675 PolarHBondContact O-N 3.34Å; P673-C685 HydrophobicContact CG-CB 4.3Å; P673-C685 WeakPolarHBondContact CG-SG 3.42Å; P673-F821 HydrophobicContact CG-CD1 4.13Å; P673-F821 HydrophobicContact CG-CE1 4.31Å
674	L	81.5	Confident	81.3	Confident	14 Å²	14	36.6 Å²	36.6	7%	0.073	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	3.4	176.4	-52.2	-178	0	0	0	117.2	I497 F617 S672 N677 P680	I497-L674 HydrophobicContact CD1-CD2 4.41Å; I497-L674 HydrophobicContact CG1-CD2 4.03Å; I497-L674 HydrophobicContact CG2-CD2 4.33Å; F617-L674 PolarHBondContact O-N 3.23Å; S672-L674 PolarHBondContact O-N 3.09Å; L674-N677 HydrophobicContact CB-CB 4.39Å; L674-N677 VanDerWaalsContact O-CB 3.29Å; L674-N677 WeakPolarHBondContact O-CB 3.48Å; L674-N677 PolarHBondContact O-N 3.42Å; L674-P680 HydrophobicContact CD1-CG 3.79Å; L674-P680 HydrophobicContact CG-CG 4.44Å
675	Y	80	Confident	83.2	Confident	39 Å²	39	31.3 Å²	31.3	15%	0.153	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	133.7	178.3	175.5	-71.8	0	0	0	110.8	Y542 N671 S672 P673 N677 K830 T833	Y542-Y675 HydrophobicContact CD2-CD1 4.36Å; Y542-Y675 HydrophobicContact CD2-CE1 4.45Å; Y542-Y675 WeakPolarHBondContact CE1-O 3.48Å; Y542-Y675 HydrophobicContact CE2-CD1 4.01Å; Y542-Y675 HydrophobicContact CE2-CE1 4.41Å; Y542-Y675 VanDerWaalsContact CZ-O 3.26Å; N671-Y675 HydrophobicContact CB-CD1 4.4Å; N671-Y675 HydrophobicContact CB-CG 4.24Å; S672-Y675 WeakPolarHBondContact O-CB 3.32Å; S672-Y675 PolarHBondContact O-N 2.97Å; P673-Y675 PolarHBondContact O-N 3.34Å; Y675-N677 WeakPolarHBondContact CA-O 3.32Å; Y675-K830 VanDerWaalsContact CD2-O 3.29Å; Y675-K830 WeakPolarHBondContact CD2-O 3.31Å; Y675-T833 HydrophobicContact CD1-CG2 3.63Å; Y675-T833 HydrophobicContact CD2-CG2 3.89Å; Y675-T833 HydrophobicContact CE1-CG2 3.36Å; Y675-T833 HydrophobicContact CE2-CG2 3.63Å; Y675-T833 HydrophobicContact CG-CG2 3.95Å
676	P	74.9	Confident	84.6	Confident	35 Å²	35	29.4 Å²	29.4	23%	0.227	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.6	1.6	15.9	37.9	-40.7	0	0	0	115	Y542	Y542-P676 VanDerWaalsContact CB-CD 3.4Å; Y542-P676 HydrophobicContact CD2-CG 4.42Å; Y542-P676 HydrophobicContact CG-CG 4.11Å
677	N	78.8	Confident	85.6	Confident	56 Å²	56	26.4 Å²	26.4	30%	0.299	14%	0.138	S	C	.	.	S	Bend	trans	-64.5	161.3	165	-58.2	-33.5	0	0	0	108.5	H586 L674 Y675	H586-N677 PolarHBondContact NE2-ND2 2.78Å; L674-N677 HydrophobicContact CB-CB 4.39Å; L674-N677 VanDerWaalsContact O-CB 3.29Å; L674-N677 WeakPolarHBondContact O-CB 3.48Å; L674-N677 PolarHBondContact O-N 3.42Å; Y675-N677 WeakPolarHBondContact CA-O 3.32Å
678	N	88.3	Confident	86.2	Confident	80 Å²	80	22.4 Å²	22.4	43%	0.428	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-68.1	145.9	176.6	-58.5	-25.1	0	0	0	110.6	T828 S829 K830	N678-T828 WeakPolarHBondContact CB-OG1 3.47Å; N678-S829 CarbonylContact C-O 3.57Å; N678-S829 WeakPolarHBondContact CA-O 3.02Å; N678-S829 VanDerWaalsContact CB-O 3.31Å; N678-S829 WeakPolarHBondContact CB-O 3.41Å; N678-K830 PolarHBondContact OD1-N 3.15Å
679	Y	89.8	Confident	86.7	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-66.2	151.6	173.6	53.3	-103.6	0	0	0	111.4	T710 T711 D735 F821 T828 S829	Y679-T710 HydrophobicContact CE1-CG2 4.18Å; Y679-T710 WeakPolarHBondContact OH-CA 3.47Å; Y679-T711 PolarHBondContact OH-N 3.21Å; Y679-D735 PolarHBondContact OH-OD2 2.87Å; Y679-F821 HydrophobicContact CD1-CE1 4.08Å; Y679-F821 HydrophobicContact CD1-CE2 4.49Å; Y679-F821 AromaticContact CD1-CZ 3.57Å; Y679-F821 HydrophobicContact CD1-CZ 3.57Å; Y679-F821 HydrophobicContact CD2-CE1 4.08Å; Y679-F821 AromaticContact CD2-CZ 3.75Å; Y679-F821 HydrophobicContact CD2-CZ 3.75Å; Y679-F821 HydrophobicContact CE1-CE2 4.36Å; Y679-F821 AromaticContact CE1-CZ 3.73Å; Y679-F821 HydrophobicContact CE1-CZ 3.73Å; Y679-F821 AromaticContact CE2-CZ 3.92Å; Y679-F821 HydrophobicContact CE2-CZ 3.92Å; Y679-F821 AromaticContact CG-CE1 3.79Å; Y679-F821 HydrophobicContact CG-CE1 3.79Å; Y679-F821 AromaticContact CG-CZ 3.6Å; Y679-F821 HydrophobicContact CG-CZ 3.6Å; Y679-F821 AromaticContact CZ-CZ 3.92Å; Y679-T828 PolarHBondContact O-OG1 3.06Å; Y679-S829 WeakPolarHBondContact CD1-O 3.36Å; Y679-S829 WeakPolarHBondContact CE1-O 3.31Å; Y679-S829 VanDerWaalsContact CZ-N 3.32Å; Y679-S829 PolarHBondContact N-O 2.71Å; Y679-S829 WeakPolarHBondContact OH-CB 3.27Å; Y679-S829 PolarHBondContact OH-N 2.67Å
680	P	88.1	Confident	86.8	Confident	7 Å²	7	20.7 Å²	20.7	5%	0.045	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-65.1	152.1	173.9	-23.9	36.1	0	0	0	113.8	E494 L674 S683 S823	E494-P680 WeakPolarHBondContact O-CB 3.43Å; E494-P680 WeakPolarHBondContact O-CG 3.44Å; L674-P680 HydrophobicContact CD1-CG 3.79Å; L674-P680 HydrophobicContact CG-CG 4.44Å; P680-S683 PolarHBondContact O-OG 2.59Å; P680-S823 PolarHBondContact O-OG 3.09Å
681	P	86.3	Confident	86.1	Confident	44 Å²	44	21.7 Å²	21.7	29%	0.286	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	155.5	164.1	31.1	-36.1	0	0	0	110.8	S683 G824 T827	P681-S683 PolarHBondContact O-N 2.91Å; P681-G824 WeakPolarHBondContact CA-O 2.76Å; P681-T827 VanDerWaalsContact CA-O 3.3Å; P681-T827 WeakPolarHBondContact CA-O 3.39Å; P681-T827 WeakPolarHBondContact CB-O 3.27Å
682	N	82.7	Confident	84.7	Confident	74 Å²	74	25.6 Å²	25.6	40%	0.396	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	39	179.1	-163.1	68.9	0	0	0	113	Q495 S823 G824	Q495-N682 PolarHBondContact NE2-O 3.2Å; N682-S823 WeakPolarHBondContact CA-O 3.35Å; N682-S823 PolarHBondContact N-O 3.05Å; N682-S823 PolarHBondContact N-OG 3.2Å; N682-G824 PolarHBondContact N-O 3.4Å
683	S	84.6	Confident	82.9	Confident	5 Å²	5	30.6 Å²	30.6	4%	0.035	17%	0.165	C	C	.	.			trans	-83.6	139.6	170.8	-60.5	0	0	0	0	109.8	P680 P681 H822 S823	P680-S683 PolarHBondContact O-OG 2.59Å; P681-S683 PolarHBondContact O-N 2.91Å; S683-H822 WeakPolarHBondContact O-CA 3.4Å; S683-H822 PolarHBondContact O-ND1 2.78Å; S683-S823 VanDerWaalsContact CB-OG 3.31Å; S683-S823 WeakPolarHBondContact CB-OG 3.41Å; S683-S823 PolarHBondContact N-OG 3.07Å; S683-S823 PolarHBondContact O-N 3.16Å
684	D	85.9	Confident	81.2	Confident	55 Å²	55	39.1 Å²	39.1	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	113.1	168	-157.2	-28.8	0	0	0	107.9	R820 F821 H822	D684-R820 IonicContact OD1-CZ 3.81Å; D684-R820 IonicContact OD1-NE 3.49Å; D684-R820 PolarHBondContact OD1-NE 3Å; D684-R820 IonicContact OD1-NH2 3.85Å; D684-R820 IonicContact OD2-CZ 3.66Å; D684-R820 IonicContact OD2-NE 3.68Å; D684-R820 PolarHBondContact OD2-NE 2.02Å; D684-R820 IonicContact OD2-NH2 3.64Å; D684-R820 PolarHBondContact OD2-NH2 3.41Å; D684-F821 WeakPolarHBondContact CA-O 3.16Å; D684-H822 IonicContact OD2-ND1 2.94Å
685	C	90.3	Very high	79.7	Confident	4 Å²	4	45 Å²	45	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127	-165.8	-71.7	0	0	0	0	111.8	C629 P673 Y687 R820 F821	C629-C685 HydrophobicContact CB-CB 3.93Å; C629-C685 WeakPolarHBondContact CB-SG 3.29Å; C629-C685 CarbonylContact O-C 3.5Å; C629-C685 VanDerWaalsContact O-CA 3.31Å; C629-C685 WeakPolarHBondContact O-CA 3.45Å; C629-C685 WeakPolarHBondContact SG-CB 3.44Å; C629-C685 CovalentContact SG-SG 2.03Å; C629-C685 PolarHBondContact SG-SG 3.32Å; P673-C685 HydrophobicContact CG-CB 4.3Å; P673-C685 WeakPolarHBondContact CG-SG 3.42Å; C685-Y687 HydrophobicContact CB-CE2 4.05Å; C685-Y687 WeakPolarHBondContact O-CE2 3.34Å; C685-R820 WeakPolarHBondContact O-CA 3.38Å; C685-F821 HydrophobicContact CB-CB 4.41Å; C685-F821 PolarHBondContact N-O 3.42Å; C685-F821 PolarHBondContact O-N 3.47Å
686	L	90.8	Very high	78.1	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.1	-171.9	-156.6	71.9	0	0	0	111.3	C629 Q630 F631 T755 I758 L818 R820	C629-L686 PolarHBondContact O-N 3.16Å; Q630-L686 WeakPolarHBondContact CA-O 3.44Å; Q630-L686 HydrophobicContact CB-CB 4.49Å; Q630-L686 HydrophobicContact CG-CB 4.12Å; F631-L686 PolarHBondContact N-O 3.43Å; L686-T755 HydrophobicContact CD2-CG2 3.85Å; L686-I758 HydrophobicContact CD1-CD1 3.95Å; L686-I758 HydrophobicContact CD1-CG2 4.23Å; L686-I758 HydrophobicContact CD2-CD1 4.18Å; L686-L818 HydrophobicContact CD1-CD1 3.83Å; L686-L818 HydrophobicContact CD1-CG 4.27Å; L686-L818 HydrophobicContact CD2-CD1 4.07Å; L686-L818 HydrophobicContact CG-CD1 3.83Å; L686-R820 HydrophobicContact CD1-CB 4.09Å; L686-R820 HydrophobicContact CD1-CG 4.4Å
687	Y	92.5	Very high	77.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.9	179.9	-49.8	-106.3	0	0	0	108.8	I619 F631 Y633 T670 N671 C685 L818 M819 F821 F832	I619-Y687 HydrophobicContact CD1-CE1 4.15Å; I619-Y687 WeakPolarHBondContact CD1-OH 3.34Å; I619-Y687 HydrophobicContact CG2-CD1 4.47Å; I619-Y687 HydrophobicContact CG2-CE1 3.84Å; F631-Y687 CarbonylContact O-C 3.56Å; F631-Y687 WeakPolarHBondContact O-CA 3.39Å; Y633-Y687 AromaticContact CE2-CD1 3.98Å; Y633-Y687 HydrophobicContact CE2-CD1 3.98Å; T670-Y687 HydrophobicContact CG2-CD1 4.16Å; T670-Y687 HydrophobicContact CG2-CE1 4.45Å; N671-Y687 VanDerWaalsContact O-CE1 3.27Å; N671-Y687 WeakPolarHBondContact O-CE1 3.33Å; N671-Y687 PolarHBondContact O-OH 2.87Å; C685-Y687 HydrophobicContact CB-CE2 4.05Å; C685-Y687 WeakPolarHBondContact O-CE2 3.34Å; Y687-L818 WeakPolarHBondContact O-CA 3.49Å; Y687-M819 HydrophobicContact CD2-CB 4.3Å; Y687-M819 PolarHBondContact N-O 3.11Å; Y687-M819 PolarHBondContact O-N 3.25Å; Y687-F821 HydrophobicContact CE2-CB 4.02Å; Y687-F832 HydrophobicContact CE2-CZ 4.14Å; Y687-F832 AromaticContact CZ-CZ 3.96Å
688	L	90.1	Very high	76.3	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	109.2	-175.6	-175.9	61.9	0	0	0	109.9	I624 F631 M632 Y633 L742 L746 I751 A816 L818	I624-L688 HydrophobicContact CD1-CB 4.34Å; I624-L688 HydrophobicContact CD1-CD2 4.24Å; F631-L688 PolarHBondContact O-N 3.43Å; M632-L688 CarbonylContact C-O 3.6Å; M632-L688 WeakPolarHBondContact CA-O 3.2Å; Y633-L688 PolarHBondContact N-O 2.97Å; L688-L742 HydrophobicContact CD1-CD1 3.73Å; L688-L746 HydrophobicContact CD1-CD1 3.82Å; L688-L746 HydrophobicContact CD1-CD2 4.17Å; L688-L746 HydrophobicContact CD2-CD1 3.91Å; L688-L746 HydrophobicContact CD2-CD2 4.16Å; L688-L746 HydrophobicContact CG-CD1 3.9Å; L688-I751 HydrophobicContact CD2-CD1 4.33Å; L688-I751 HydrophobicContact CD2-CG1 4.05Å; L688-A816 HydrophobicContact CD1-CB 4.16Å; L688-L818 HydrophobicContact CD1-CD1 3.98Å
689	I	90.4	Very high	75.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.8	-174.2	-54.8	169	0	0	0	108.4	Y633 I701 L703 A816 I817 M819 Y836 F838	Y633-I689 HydrophobicContact CD2-CG1 3.72Å; Y633-I689 HydrophobicContact CG-CG1 4.19Å; Y633-I689 WeakPolarHBondContact O-CA 3.24Å; I689-I701 HydrophobicContact CB-CG2 4.5Å; I689-I701 HydrophobicContact CG2-CD1 4.27Å; I689-I701 HydrophobicContact CG2-CG1 4.48Å; I689-I701 HydrophobicContact CG2-CG2 3.72Å; I689-I701 WeakPolarHBondContact O-CD1 3.34Å; I689-L703 HydrophobicContact CD1-CD2 3.53Å; I689-A816 CarbonylContact O-C 3.56Å; I689-A816 WeakPolarHBondContact O-CA 3.46Å; I689-A816 WeakPolarHBondContact O-CB 3.26Å; I689-I817 PolarHBondContact N-O 3.17Å; I689-I817 PolarHBondContact O-N 3.49Å; I689-M819 HydrophobicContact CD1-SD 4.19Å; I689-Y836 HydrophobicContact CD1-CG 4.49Å; I689-Y836 HydrophobicContact CG2-CD2 4.2Å; I689-Y836 HydrophobicContact CG2-CG 4.45Å; I689-F838 HydrophobicContact CG2-CE1 3.86Å; I689-F838 HydrophobicContact CG2-CZ 3.87Å
690	T	86.1	Confident	75.3	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.049	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	142.9	-176.1	-173.2	0	0	0	0	112.4	Y633 V634 L746 T815 F838	Y633-T690 PolarHBondContact O-N 3.2Å; V634-T690 WeakPolarHBondContact CA-O 3.4Å; V634-T690 HydrophobicContact CG1-CG2 4.05Å; T690-L746 HydrophobicContact CG2-CD1 3.87Å; T690-T815 PolarHBondContact OG1-O 3.35Å; T690-F838 VanDerWaalsContact C-CE1 3.42Å; T690-F838 WeakPolarHBondContact O-CE1 3.34Å; T690-F838 VanDerWaalsContact O-CZ 3.32Å; T690-F838 WeakPolarHBondContact O-CZ 3.29Å
691	P	74.5	Confident	75.3	Confident	20 Å²	20	50.6 Å²	50.6	13%	0.13	27%	0.271	C	S	.	.			trans	-80.4	-12.8	179.7	31.8	-36	0	0	0	114.4	Q699 T815 F838	P691-Q699 HydrophobicContact CB-CB 3.8Å; P691-Q699 HydrophobicContact CB-CG 4.41Å; P691-Q699 VanDerWaalsContact CB-OE1 3.32Å; P691-Q699 HydrophobicContact CG-CB 4.19Å; P691-T815 WeakPolarHBondContact CD-O 3.46Å; P691-F838 HydrophobicContact CB-CD1 3.91Å; P691-F838 HydrophobicContact CB-CE1 4.22Å
692	Q	63.2	Low	75.4	Confident	83 Å²	83	48.5 Å²	48.5	39%	0.388	26%	0.257	S	S	.	.			trans	-87.3	134.1	-169.6	-78.9	-164.4	-24.2	0	0	114.9
693	N	54.2	Low	75.9	Confident	104 Å²	104	45 Å²	45	56%	0.556	24%	0.238	S	C	*	.	S	Bend	trans	-131.5	110.7	134.3	-96.6	-30.9	0	0	0	107.6	F695	N693-F695 PolarHBondContact O-N 3.42Å
694	E	52	Low	76.3	Confident	181 Å²	181	45.2 Å²	45.2	85%	0.846	24%	0.239	S	C	*	.	S	Bend	trans	55.5	-30.1	174.5	-57.1	-163.8	134.3	0	0	120
695	F	50.6	Low	76.7	Confident	138 Å²	138	42.6 Å²	42.6	61%	0.605	23%	0.225	S	C	*	.	S	Bend	trans	-106.1	127.6	-173.9	-68.6	-85.5	0	0	0	113.1	N693 V697	N693-F695 PolarHBondContact O-N 3.42Å; F695-V697 VanDerWaalsContact C-N 3.3Å; F695-V697 PolarHBondContact O-N 3.27Å
696	A	46.3	Very low	76.6	Confident	87 Å²	87	46.2 Å²	46.2	72%	0.719	24%	0.242	S	C	*	.			trans	-81	61.8	-168.7	0	0	0	0	0	114.1	E698	A696-E698 PolarHBondContact O-N 3Å
697	V	53.7	Low	76.6	Confident	79 Å²	79	47.7 Å²	47.7	48%	0.479	25%	0.252	S	S	.	.			trans	-81.5	109.5	160.4	-173.4	0	0	0	0	108.1	F695 Q699	F695-V697 VanDerWaalsContact C-N 3.3Å; F695-V697 PolarHBondContact O-N 3.27Å; V697-Q699 HydrophobicContact CG1-CG 4.02Å; V697-Q699 PolarHBondContact O-N 2.94Å
698	E	62.7	Low	76.6	Confident	128 Å²	128	48 Å²	48	60%	0.598	25%	0.253	S	S	*	.			trans	-65.8	119.7	175	-67.7	-155.7	131.5	0	0	111.2	A696 K841	A696-E698 PolarHBondContact O-N 3Å; E698-K841 HydrophobicContact CB-CD 3.59Å; E698-K841 HydrophobicContact CB-CG 4.07Å; E698-K841 HydrophobicContact CG-CD 4.49Å; E698-K841 WeakPolarHBondContact O-CG 3.36Å; E698-K841 PolarHBondContact O-N 3.1Å; E698-K841 IonicContact OE1-NZ 3.55Å; E698-K841 PolarHBondContact OE1-NZ 2.99Å; E698-K841 VanDerWaalsContact OE2-CD 3.31Å; E698-K841 WeakPolarHBondContact OE2-CD 3.43Å; E698-K841 WeakPolarHBondContact OE2-CE 3.4Å; E698-K841 IonicContact OE2-NZ 3.11Å; E698-K841 PolarHBondContact OE2-NZ 3.15Å
699	Q	73.2	Confident	76.7	Confident	27 Å²	27	49 Å²	49	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.1	-175.5	-70.1	-177.5	-9.7	0	0	110.9	N635 P691 V697 L839	N635-Q699 PolarHBondContact ND2-OE1 2.92Å; P691-Q699 HydrophobicContact CB-CB 3.8Å; P691-Q699 HydrophobicContact CB-CG 4.41Å; P691-Q699 VanDerWaalsContact CB-OE1 3.32Å; P691-Q699 HydrophobicContact CG-CB 4.19Å; V697-Q699 HydrophobicContact CG1-CG 4.02Å; V697-Q699 PolarHBondContact O-N 2.94Å; Q699-L839 CarbonylContact C-O 3.54Å; Q699-L839 WeakPolarHBondContact CA-O 3.13Å; Q699-L839 VanDerWaalsContact CB-O 3.24Å; Q699-L839 WeakPolarHBondContact CB-O 3.44Å
700	S	82.6	Confident	76.7	Confident	12 Å²	12	49.2 Å²	49.2	8%	0.084	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.1	170	-74	0	0	0	0	110.3	L839	S700-L839 PolarHBondContact N-O 2.8Å; S700-L839 WeakPolarHBondContact O-CB 3.22Å; S700-L839 PolarHBondContact O-N 3.03Å
701	I	87.8	Confident	76.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.4	177.9	-58.6	158.8	0	0	0	108.8	I689 L703 V809 S810 I817 F838	I689-I701 HydrophobicContact CB-CG2 4.5Å; I689-I701 HydrophobicContact CG2-CD1 4.27Å; I689-I701 HydrophobicContact CG2-CG1 4.48Å; I689-I701 HydrophobicContact CG2-CG2 3.72Å; I689-I701 WeakPolarHBondContact O-CD1 3.34Å; I701-L703 HydrophobicContact CG2-CD2 4.05Å; I701-V809 CarbonylContact O-C 3.51Å; I701-V809 WeakPolarHBondContact O-CA 3.47Å; I701-S810 PolarHBondContact N-OG 3.24Å; I701-S810 PolarHBondContact O-N 2.92Å; I701-I817 HydrophobicContact CB-CD1 3.84Å; I701-I817 HydrophobicContact CB-CG1 4.16Å; I701-I817 HydrophobicContact CD1-CB 4.44Å; I701-I817 HydrophobicContact CD1-CG1 4.02Å; I701-I817 HydrophobicContact CG2-CD1 3.72Å; I701-I817 HydrophobicContact CG2-CG1 4.24Å; I701-F838 HydrophobicContact CG1-CD1 4.02Å; I701-F838 HydrophobicContact CG1-CE1 4.01Å
702	R	89.5	Confident	76.5	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.2	167.2	175.2	-173.3	-75.6	143.3	-7.5	110.3	V704 I808 V809 Y836 E837 L839 D889 N891 T963	R702-V704 HydrophobicContact CG-CG2 3.95Å; R702-I808 CarbonylContact C-O 3.39Å; R702-I808 VanDerWaalsContact CA-O 3.29Å; R702-I808 WeakPolarHBondContact CA-O 3.49Å; R702-V809 HydrophobicContact CB-CG2 4Å; R702-V809 HydrophobicContact CG-CG2 4.02Å; R702-Y836 CarbonylContact O-C 3.56Å; R702-Y836 VanDerWaalsContact O-CA 3.27Å; R702-Y836 WeakPolarHBondContact O-CA 3.38Å; R702-E837 HydrophobicContact CB-CB 4.34Å; R702-E837 IonicContact CZ-OE2 2.79Å; R702-E837 PolarHBondContact N-O 3.3Å; R702-E837 IonicContact NH1-OE2 3.61Å; R702-E837 PolarHBondContact NH1-OE2 3.31Å; R702-E837 PolarHBondContact O-N 3.4Å; R702-L839 HydrophobicContact CB-CD1 3.99Å; R702-L839 HydrophobicContact CB-CG 4.29Å; R702-D889 IonicContact CZ-OD1 3.38Å; R702-D889 IonicContact NH1-OD1 3.92Å; R702-D889 PolarHBondContact NH1-OD1 2.77Å; R702-D889 IonicContact NH2-OD1 2.8Å; R702-D889 PolarHBondContact NH2-OD1 2.67Å; R702-N891 PolarHBondContact NH2-ND2 3.07Å; R702-T963 PolarHBondContact NH2-O 2.84Å
703	L	93.5	Very high	76.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137	167.4	-51.1	179.6	0	0	0	109.9	I689 I701 I739 P807 I808 I817 M819 L834 S835	I689-L703 HydrophobicContact CD1-CD2 3.53Å; I701-L703 HydrophobicContact CG2-CD2 4.05Å; L703-I739 HydrophobicContact CD1-CG2 4.41Å; L703-P807 WeakPolarHBondContact O-CA 3.42Å; L703-I808 HydrophobicContact CB-CB 4.44Å; L703-I808 PolarHBondContact N-O 3.23Å; L703-I808 PolarHBondContact O-N 2.03Å; L703-I817 HydrophobicContact CD1-CD1 3.93Å; L703-I817 HydrophobicContact CD1-CG2 4.11Å; L703-I817 HydrophobicContact CD2-CD1 4.48Å; L703-I817 HydrophobicContact CG-CD1 3.96Å; L703-M819 HydrophobicContact CD1-CG 4.42Å; L703-M819 HydrophobicContact CD1-SD 3.63Å; L703-L834 HydrophobicContact CD2-CD1 4.2Å; L703-S835 WeakPolarHBondContact CA-O 3.43Å
704	V	92.6	Very high	76.2	Confident	9 Å²	9	57 Å²	57	6%	0.055	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	116.9	175.8	-176.8	0	0	0	0	109.4	R702 P807 L834 S835 S922 A964	R702-V704 HydrophobicContact CG-CG2 3.95Å; V704-P807 HydrophobicContact CG2-CB 4.24Å; V704-P807 HydrophobicContact CG2-CG 4.34Å; V704-L834 CarbonylContact O-C 3.54Å; V704-L834 VanDerWaalsContact O-CA 3.24Å; V704-L834 WeakPolarHBondContact O-CA 3.31Å; V704-L834 WeakPolarHBondContact O-CB 3.36Å; V704-S835 PolarHBondContact N-O 2.78Å; V704-S835 PolarHBondContact O-N 2.75Å; V704-S922 WeakPolarHBondContact CG1-O 3.29Å; V704-A964 HydrophobicContact CG1-CB 4.26Å; V704-A964 HydrophobicContact CG2-CB 4.32Å
705	F	93.4	Very high	75.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.1	177.8	-69.9	-89	0	0	0	111.2	F708 L737 I739 I804 P805 I808 M819 F832 L834 S922	F705-F708 HydrophobicContact CD1-CD2 4.25Å; F705-F708 HydrophobicContact CE1-CD2 4.41Å; F705-L737 HydrophobicContact CE1-CD2 3.49Å; F705-L737 VanDerWaalsContact CE1-CD2 3.49Å; F705-L737 HydrophobicContact CZ-CD2 3.63Å; F705-I739 HydrophobicContact CE2-CD1 4.06Å; F705-I739 HydrophobicContact CZ-CD1 3.92Å; F705-I804 HydrophobicContact CB-CG2 3.91Å; F705-P805 HydrophobicContact CD2-CB 3.88Å; F705-P805 HydrophobicContact CD2-CG 4.03Å; F705-P805 HydrophobicContact CE2-CB 4.32Å; F705-P805 HydrophobicContact CE2-CG 4.34Å; F705-P805 HydrophobicContact CG-CG 4.35Å; F705-I808 HydrophobicContact CE2-CD1 4.19Å; F705-M819 HydrophobicContact CE1-CE 4.36Å; F705-M819 HydrophobicContact CZ-CE 3.96Å; F705-F832 HydrophobicContact CE1-CD2 4.24Å; F705-L834 HydrophobicContact CD1-CB 3.87Å; F705-L834 HydrophobicContact CD1-CD2 4.3Å; F705-L834 HydrophobicContact CE1-CB 4.07Å; F705-L834 HydrophobicContact CE1-CD2 3.63Å; F705-L834 HydrophobicContact CG-CB 4.29Å; F705-L834 HydrophobicContact CZ-CD2 3.94Å; F705-S922 WeakPolarHBondContact O-CB 3.41Å
706	E	88.9	Confident	74.8	Confident	80 Å²	80	53.6 Å²	53.6	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-35.2	175.8	-60.2	-179	170.5	0	0	111.9	K539 T833	K539-E706 WeakPolarHBondContact CE-OE2 3.23Å; K539-E706 IonicContact NZ-OE2 3.4Å; K539-E706 PolarHBondContact NZ-OE2 3.49Å; E706-T833 PolarHBondContact N-O 2.91Å
707	T	91.6	Very high	73.9	Confident	41 Å²	41	58.8 Å²	58.8	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.6	176.4	69.6	0	0	0	0	109.9	F832 T833	T707-F832 VanDerWaalsContact O-CA 3.23Å; T707-F832 WeakPolarHBondContact O-CA 3.06Å; T707-F832 VanDerWaalsContact O-CB 3.26Å; T707-F832 WeakPolarHBondContact O-CB 3.39Å; T707-T833 PolarHBondContact N-O 2.84Å; T707-T833 PolarHBondContact O-N 2.87Å; T707-T833 VanDerWaalsContact O-N 3.11Å; T707-T833 PolarHBondContact OG1-N 3.38Å; T707-T833 VanDerWaalsContact OG1-N 3.12Å; T707-T833 PolarHBondContact OG1-OG1 3.12Å
708	F	92.4	Very high	72.8	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	119.4	174.8	-164.5	-87.1	0	0	0	110.6	F705 T710 L737 G801 Y803 I804 G831 F832	F705-F708 HydrophobicContact CD1-CD2 4.25Å; F705-F708 HydrophobicContact CE1-CD2 4.41Å; F708-T710 HydrophobicContact CE1-CG2 4.25Å; F708-T710 WeakPolarHBondContact CE1-OG1 3.4Å; F708-T710 HydrophobicContact CZ-CG2 4.15Å; F708-L737 HydrophobicContact CE2-CB 3.96Å; F708-L737 HydrophobicContact CE2-CD2 3.79Å; F708-L737 HydrophobicContact CZ-CB 4.17Å; F708-G801 WeakPolarHBondContact CD1-O 3.38Å; F708-Y803 WeakPolarHBondContact CD1-O 3.38Å; F708-I804 HydrophobicContact CB-CB 4.49Å; F708-I804 HydrophobicContact CB-CG1 4.04Å; F708-G831 CarbonylContact C-O 3.56Å; F708-F832 HydrophobicContact CD2-CB 3.71Å; F708-F832 HydrophobicContact CD2-CG 4.38Å; F708-F832 HydrophobicContact CE2-CB 4.32Å; F708-F832 HydrophobicContact CE2-CD1 4.38Å; F708-F832 HydrophobicContact CG-CB 4.45Å
709	A	91.2	Very high	71	Confident	25 Å²	25	60.6 Å²	60.6	21%	0.207	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	101.1	-179.1	0	0	0	0	0	110.7	G801 S829 K830 G831	A709-G801 WeakPolarHBondContact CA-O 3.34Å; A709-S829 WeakPolarHBondContact O-CB 3.04Å; A709-K830 HydrophobicContact CB-CB 4.45Å; A709-G831 PolarHBondContact N-O 3.03Å; A709-G831 VanDerWaalsContact O-CA 3.23Å; A709-G831 WeakPolarHBondContact O-CA 3.49Å; A709-G831 PolarHBondContact O-N 3.23Å
710	T	89.6	Confident	69.2	Low	3 Å²	3	66.4 Å²	66.4	2%	0.018	35%	0.35	C	S	.	.			trans	-121.2	158.5	176.6	47.7	0	0	0	0	111	Y679 F708 D735 C800 G801 F821	Y679-T710 HydrophobicContact CE1-CG2 4.18Å; Y679-T710 WeakPolarHBondContact OH-CA 3.47Å; F708-T710 HydrophobicContact CE1-CG2 4.25Å; F708-T710 WeakPolarHBondContact CE1-OG1 3.4Å; F708-T710 HydrophobicContact CZ-CG2 4.15Å; T710-D735 HydrophobicContact CG2-CB 4.41Å; T710-C800 WeakPolarHBondContact OG1-CA 3.47Å; T710-G801 PolarHBondContact N-O 3Å; T710-G801 WeakPolarHBondContact O-CA 3.26Å; T710-G801 PolarHBondContact OG1-N 3.29Å; T710-G801 PolarHBondContact OG1-O 2.86Å; T710-F821 HydrophobicContact CG2-CE2 3.89Å
711	T	84.4	Confident	66.5	Low	34 Å²	34	72.8 Å²	72.8	21%	0.209	38%	0.384	C	S	.	.			trans	-77.5	152.9	175.1	85.7	0	0	0	0	110.5	Y679 D735 T827 T828	Y679-T711 PolarHBondContact OH-N 3.21Å; T711-D735 WeakPolarHBondContact CA-OD2 2.99Å; T711-D735 WeakPolarHBondContact CB-OD2 3.06Å; T711-D735 VanDerWaalsContact CG2-OD2 3.31Å; T711-D735 WeakPolarHBondContact CG2-OD2 3.31Å; T711-D735 PolarHBondContact N-OD2 2.82Å; T711-D735 PolarHBondContact OG1-OD2 2.83Å; T711-T827 WeakPolarHBondContact OG1-CB 3.25Å; T711-T827 VanDerWaalsContact OG1-CG2 3.26Å; T711-T827 WeakPolarHBondContact OG1-CG2 3.37Å; T711-T828 WeakPolarHBondContact CG2-O 3.44Å
712	Y	72.8	Confident	63.5	Low	87 Å²	87	77.8 Å²	77.8	34%	0.341	42%	0.419	S	S	.	.			trans	-153.9	146.9	-178.3	67.4	-76.2	0	0	0	109.5	T714 Q730 G801	Y712-T714 HydrophobicContact CD2-CG2 4.28Å; Y712-T714 HydrophobicContact CE2-CG2 3.74Å; Y712-Q730 VanDerWaalsContact CD2-CD 3.49Å; Y712-Q730 VanDerWaalsContact CD2-OE1 3.25Å; Y712-G801 VanDerWaalsContact CD1-CA 3.5Å
713	R	60.4	Low	60.7	Low	167 Å²	167	84.6 Å²	84.6	63%	0.63	45%	0.451	S	S	*	.			trans	-95.3	112.4	176.8	-118.4	171.9	-179.5	175.7	1.3	110.3	Q715 Q734	R713-Q715 PolarHBondContact O-N 3.01Å; R713-Q715 VanDerWaalsContact O-N 3.13Å; R713-Q734 VanDerWaalsContact CB-OE1 3.24Å; R713-Q734 VanDerWaalsContact CG-OE1 3.22Å
714	T	50	Low	57.7	Low	91 Å²	91	87.3 Å²	87.3	56%	0.558	47%	0.469	S	S	*	.			trans	-69.2	102.2	160.3	40.5	0	0	0	0	109.1	Y712 S716	Y712-T714 HydrophobicContact CD2-CG2 4.28Å; Y712-T714 HydrophobicContact CE2-CG2 3.74Å; T714-S716 PolarHBondContact O-N 2.71Å; T714-S716 VanDerWaalsContact O-N 3.09Å
715	Q	43	Very low	54.9	Low	146 Å²	146	93.3 Å²	93.3	68%	0.682	50%	0.497	S	S	*	.			trans	-63.1	113.6	165.8	-83.4	-173.4	-22	0	0	108.6	R713	R713-Q715 PolarHBondContact O-N 3.01Å; R713-Q715 VanDerWaalsContact O-N 3.13Å
716	S	30.3	Very low	52.1	Low	102 Å²	102	96.7 Å²	96.7	71%	0.713	52%	0.515	S	S	*	.			trans	-81.2	137.5	-178.2	-56.7	0	0	0	0	110.3	T714	T714-S716 PolarHBondContact O-N 2.71Å; T714-S716 VanDerWaalsContact O-N 3.09Å
717	K	27.4	Very low	49.6	Very low	196 Å²	196	99.6 Å²	99.6	85%	0.852	53%	0.528	S	S	*	.			trans	68.3	92	175.8	-53.7	-177.5	-177.1	-174.9	0	116.2
718	V	30.7	Very low	47.1	Very low	130 Å²	130	104.9 Å²	104.9	79%	0.788	55%	0.548	S	S	*	.				-111.7	121.8	128	175.9	0	0	0	0	106.2	I720	V718-I720 HydrophobicContact CG1-CD1 3.82Å; V718-I720 HydrophobicContact CG1-CG1 3.9Å
719	S	24.9	Very low	45.1	Very low	115 Å²	115	108.6 Å²	108.6	80%	0.804	56%	0.564	S	S	*	*			trans	-109.3	95	-179.9	54	0	0	0	0	109.2
720	I	35	Very low	43.4	Very low	148 Å²	148	111.9 Å²	111.9	76%	0.759	58%	0.575	S	S	*	*			trans	-136.4	140	176.9	-62.6	179.1	0	0	0	107.9	V718	V718-I720 HydrophobicContact CG1-CD1 3.82Å; V718-I720 HydrophobicContact CG1-CG1 3.9Å
721	D	27.1	Very low	41.9	Very low	147 Å²	147	116 Å²	116	79%	0.786	60%	0.596	S	S	*	*			trans	-72.4	149.2	-178	-77.4	-66.4	0	0	0	114.2
722	S	25.5	Very low	41.1	Very low	105 Å²	105	115.1 Å²	115.1	73%	0.734	59%	0.591	S	S	*	*			trans	70.2	158.7	152.8	76.1	0	0	0	0	119.6
723	Q	30.1	Very low	40.7	Very low	144 Å²	144	112.9 Å²	112.9	67%	0.673	59%	0.585	S	S	*	*			trans	61.1	81.3	167.3	-61.3	-171.1	-28.1	0	0	118	E725	Q723-E725 PolarHBondContact O-N 2.65Å; Q723-E725 VanDerWaalsContact O-N 3.07Å
724	S	29.3	Very low	41.3	Very low	56 Å²	56	107.1 Å²	107.1	39%	0.392	57%	0.565	S	S	.	*				35.7	64.4	127.1	62.7	0	0	0	0	118.5
725	E	34	Very low	43.1	Very low	135 Å²	135	102.9 Å²	102.9	63%	0.631	54%	0.539	S	S	*	.			trans	-94.8	125.8	159.1	-68.4	-145.1	120.5	0	0	110.9	Q723 E727 K728	Q723-E725 PolarHBondContact O-N 2.65Å; Q723-E725 VanDerWaalsContact O-N 3.07Å; E725-E727 PolarHBondContact O-N 3.46Å; E725-K728 IonicContact OE1-NZ 2.65Å; E725-K728 PolarHBondContact OE1-NZ 3.43Å; E725-K728 IonicContact OE2-NZ 2.58Å; E725-K728 PolarHBondContact OE2-NZ 2.92Å
726	L	34.7	Very low	45.2	Very low	71 Å²	71	96.7 Å²	96.7	37%	0.372	51%	0.51	S	S	.	.			trans	-53.3	131.9	160.6	-172.8	86.2	0	0	0	108.3	K728 Y938 L948	L726-K728 PolarHBondContact O-N 2.79Å; L726-Y938 HydrophobicContact CD2-CD1 3.35Å; L726-Y938 HydrophobicContact CD2-CE1 3.67Å; L726-L948 HydrophobicContact CB-CD1 4.12Å; L726-L948 HydrophobicContact CD1-CD1 3.46Å; L726-L948 VanDerWaalsContact CD1-CD1 3.46Å; L726-L948 HydrophobicContact CG-CD1 4.4Å
727	E	37.6	Very low	48.1	Very low	142 Å²	142	91.9 Å²	91.9	66%	0.664	48%	0.476	S	S	*	.			trans	-49.9	99.7	-171.4	-73.3	164.3	131.8	0	0	112.8	E725 F729 K918	E725-E727 PolarHBondContact O-N 3.46Å; E727-F729 PolarHBondContact O-N 2.79Å; E727-K918 IonicContact OE1-NZ 2.74Å; E727-K918 WeakPolarHBondContact OE2-CE 3.46Å; E727-K918 IonicContact OE2-NZ 2.65Å; E727-K918 PolarHBondContact OE2-NZ 3.39Å
728	K	39	Very low	50.9	Low	152 Å²	152	82.7 Å²	82.7	66%	0.661	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-53.2	127.5	172.2	-84.1	-173.1	168	85.3	0	108.5	E725 L726 Q730	E725-K728 IonicContact OE1-NZ 2.65Å; E725-K728 PolarHBondContact OE1-NZ 3.43Å; E725-K728 IonicContact OE2-NZ 2.58Å; E725-K728 PolarHBondContact OE2-NZ 2.92Å; L726-K728 PolarHBondContact O-N 2.79Å; K728-Q730 PolarHBondContact O-N 3.48Å
729	F	49.9	Very low	53.8	Low	85 Å²	85	76.5 Å²	76.5	37%	0.373	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-48.1	127.9	-170	-89.6	-76.3	0	0	0	112.8	E727 I731 R935 E939	E727-F729 PolarHBondContact O-N 2.79Å; F729-I731 PolarHBondContact O-N 3.33Å; F729-R935 VanDerWaalsContact CE1-NH2 3.29Å; F729-E939 HydrophobicContact CZ-CB 4.28Å
730	Q	55	Low	56.8	Low	93 Å²	93	71 Å²	71	44%	0.435	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-59.9	134	-173.5	-171.1	157.8	57.3	0	0	111.9	Y712 K728 C732	Y712-Q730 VanDerWaalsContact CD2-CD 3.49Å; Y712-Q730 VanDerWaalsContact CD2-OE1 3.25Å; K728-Q730 PolarHBondContact O-N 3.48Å; Q730-C732 PolarHBondContact O-N 2.03Å; Q730-C732 PolarHBondContact O-SG 3.08Å
731	I	57.9	Low	59.4	Low	89 Å²	89	64.6 Å²	64.6	46%	0.456	33%	0.327	S	S	.	.			trans	-69.7	102.5	-177.1	-59.2	175.5	0	0	0	109.7	F729 N733 V766	F729-I731 PolarHBondContact O-N 3.33Å; I731-N733 HydrophobicContact CG2-CB 4.28Å; I731-N733 PolarHBondContact O-N 2.92Å; I731-N733 VanDerWaalsContact O-N 3.08Å; I731-V766 WeakPolarHBondContact CG2-O 3.48Å
732	C	67.7	Low	62.3	Low	16 Å²	16	57.6 Å²	57.6	11%	0.108	29%	0.29	C	S	.	.			trans	-76	92.7	178.4	-57.5	0	0	0	0	110.9	Q730 F736 I798 C800	Q730-C732 PolarHBondContact O-N 2.03Å; Q730-C732 PolarHBondContact O-SG 3.08Å; C732-F736 HydrophobicContact CB-CB 4.09Å; C732-I798 HydrophobicContact CB-CD1 4.15Å; C732-I798 HydrophobicContact CB-CG1 4.25Å; C732-C800 WeakPolarHBondContact CA-SG 3.39Å; C732-C800 HydrophobicContact CB-CB 3.63Å; C732-C800 WeakPolarHBondContact CB-SG 3.48Å; C732-C800 WeakPolarHBondContact SG-CB 3.49Å; C732-C800 PolarHBondContact SG-N 2.93Å; C732-C800 CovalentContact SG-SG 2.04Å; C732-C800 PolarHBondContact SG-SG 3.5Å
733	N	66	Low	65.2	Low	41 Å²	41	54.7 Å²	54.7	22%	0.219	26%	0.263	C	S	.	.			trans	-119.7	10.1	-172.3	63.9	3.5	0	0	0	114.9	I731	I731-N733 HydrophobicContact CG2-CB 4.28Å; I731-N733 PolarHBondContact O-N 2.92Å; I731-N733 VanDerWaalsContact O-N 3.08Å
734	Q	73.2	Confident	67.7	Low	46 Å²	46	48.5 Å²	48.5	22%	0.215	24%	0.235	C	C	.	.	S	Bend	trans	-131.5	-77.3	177.4	-68.4	-172.3	-83.9	0	0	110.3	R713 G824 T827	R713-Q734 VanDerWaalsContact CB-OE1 3.24Å; R713-Q734 VanDerWaalsContact CG-OE1 3.22Å; Q734-G824 PolarHBondContact O-N 3.27Å; Q734-T827 HydrophobicContact CB-CG2 4.34Å
735	D	87.3	Confident	69.9	Low	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-110	140.8	176.4	-50.5	-29.4	0	0	0	109.4	Y679 T710 T711 C800 H822 S823 G824 T827	Y679-D735 PolarHBondContact OH-OD2 2.87Å; T710-D735 HydrophobicContact CG2-CB 4.41Å; T711-D735 WeakPolarHBondContact CA-OD2 2.99Å; T711-D735 WeakPolarHBondContact CB-OD2 3.06Å; T711-D735 VanDerWaalsContact CG2-OD2 3.31Å; T711-D735 WeakPolarHBondContact CG2-OD2 3.31Å; T711-D735 PolarHBondContact N-OD2 2.82Å; T711-D735 PolarHBondContact OG1-OD2 2.83Å; D735-C800 WeakPolarHBondContact O-CB 3.18Å; D735-H822 VanDerWaalsContact CA-O 3.31Å; D735-H822 WeakPolarHBondContact CA-O 3.26Å; D735-S823 VanDerWaalsContact OD1-CA 3.23Å; D735-S823 WeakPolarHBondContact OD1-CA 3.14Å; D735-S823 WeakPolarHBondContact OD1-CB 3.28Å; D735-G824 PolarHBondContact OD1-N 2.85Å; D735-T827 WeakPolarHBondContact OD1-CB 3.34Å; D735-T827 PolarHBondContact OD1-OG1 2.75Å; D735-T827 WeakPolarHBondContact OD2-CB 3.34Å
736	F	86.8	Confident	71.9	Confident	17 Å²	17	44.5 Å²	44.5	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159.3	-179.3	55.4	-104.9	0	0	0	113.5	C732 E738 I798 Y799 F821 H822	C732-F736 HydrophobicContact CB-CB 4.09Å; F736-E738 HydrophobicContact CD2-CG 3.7Å; F736-E738 HydrophobicContact CE2-CG 3.77Å; F736-I798 HydrophobicContact CB-CD1 3.87Å; F736-I798 HydrophobicContact CB-CG1 3.89Å; F736-I798 HydrophobicContact CD1-CD1 4.43Å; F736-I798 HydrophobicContact CD2-CD1 4.08Å; F736-I798 HydrophobicContact CG-CD1 3.89Å; F736-I798 HydrophobicContact CG-CG1 4.39Å; F736-Y799 CarbonylContact C-O 3.48Å; F736-Y799 WeakPolarHBondContact CA-O 3.39Å; F736-F821 WeakPolarHBondContact O-CD2 3.47Å; F736-H822 HydrophobicContact CD2-CB 3.93Å; F736-H822 HydrophobicContact CE1-CB 4.13Å; F736-H822 AromaticContact CE1-CD2 3.67Å; F736-H822 HydrophobicContact CE2-CB 3.49Å; F736-H822 VanDerWaalsContact CE2-CB 3.49Å; F736-H822 HydrophobicContact CG-CB 4.44Å; F736-H822 HydrophobicContact CZ-CB 3.6Å; F736-H822 AromaticContact CZ-CD2 3.73Å; F736-H822 AromaticContact CZ-CG 3.85Å; F736-H822 PolarHBondContact N-O 3.15Å; F736-H822 PolarHBondContact O-N 3.47Å
737	L	90.6	Very high	74	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.4	167.7	-176.5	63.7	0	0	0	109	F705 F708 I739 I798 Y799 M819 R820 F821 F832	F705-L737 HydrophobicContact CE1-CD2 3.49Å; F705-L737 VanDerWaalsContact CE1-CD2 3.49Å; F705-L737 HydrophobicContact CZ-CD2 3.63Å; F708-L737 HydrophobicContact CE2-CB 3.96Å; F708-L737 HydrophobicContact CE2-CD2 3.79Å; F708-L737 HydrophobicContact CZ-CB 4.17Å; L737-I739 HydrophobicContact CG-CG1 4.47Å; L737-I798 WeakPolarHBondContact O-CA 3.49Å; L737-Y799 PolarHBondContact N-O 3.47Å; L737-Y799 PolarHBondContact O-N 3.01Å; L737-M819 HydrophobicContact CD1-CB 4.4Å; L737-M819 HydrophobicContact CD1-CE 3.85Å; L737-M819 HydrophobicContact CD2-CE 3.68Å; L737-M819 HydrophobicContact CG-CE 4.07Å; L737-R820 WeakPolarHBondContact CA-O 3.19Å; L737-F821 HydrophobicContact CD1-CB 4Å; L737-F832 HydrophobicContact CD1-CE1 3.88Å; L737-F832 HydrophobicContact CD1-CZ 3.87Å; L737-F832 HydrophobicContact CD2-CD1 4.17Å; L737-F832 HydrophobicContact CD2-CE1 4.06Å; L737-F832 HydrophobicContact CD2-CE2 4.4Å; L737-F832 HydrophobicContact CD2-CG 4.41Å; L737-F832 HydrophobicContact CD2-CZ 4.18Å; L737-F832 HydrophobicContact CG-CE1 4.48Å
738	E	87.5	Confident	75.8	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.7	172.3	-59.4	176.6	111.5	0	0	109.9	F736 I740 W771 W775 I798 M819 R820	F736-E738 HydrophobicContact CD2-CG 3.7Å; F736-E738 HydrophobicContact CE2-CG 3.77Å; E738-I740 HydrophobicContact CB-CD1 3.99Å; E738-W771 PolarHBondContact OE1-NE1 2.83Å; E738-W775 PolarHBondContact OE1-NE1 2.94Å; E738-W775 VanDerWaalsContact OE1-NE1 3.14Å; E738-I798 HydrophobicContact CG-CD1 4.13Å; E738-I798 HydrophobicContact CG-CG1 4.31Å; E738-M819 VanDerWaalsContact O-CA 3.29Å; E738-M819 WeakPolarHBondContact O-CA 2.97Å; E738-R820 HydrophobicContact CB-CB 4.41Å; E738-R820 PolarHBondContact N-O 2.81Å; E738-R820 PolarHBondContact O-N 3.03Å; E738-R820 WeakPolarHBondContact OE2-CD 3.4Å; E738-R820 IonicContact OE2-CZ 3.47Å; E738-R820 IonicContact OE2-NH1 2.68Å; E738-R820 PolarHBondContact OE2-NH1 2.96Å
739	I	90.6	Very high	77.5	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.9	176.5	-50.5	-178.8	0	0	0	109.3	L703 F705 L737 I796 S797 Y799 I808 I817 M819	L703-I739 HydrophobicContact CD1-CG2 4.41Å; F705-I739 HydrophobicContact CE2-CD1 4.06Å; F705-I739 HydrophobicContact CZ-CD1 3.92Å; L737-I739 HydrophobicContact CG-CG1 4.47Å; I739-I796 HydrophobicContact CG2-CD1 3.74Å; I739-I796 HydrophobicContact CG2-CG1 4.4Å; I739-I796 PolarHBondContact O-N 2.85Å; I739-S797 PolarHBondContact N-O 3.48Å; I739-S797 PolarHBondContact O-N 3.27Å; I739-Y799 HydrophobicContact CD1-CD2 4.26Å; I739-Y799 HydrophobicContact CD1-CE2 4.03Å; I739-I808 HydrophobicContact CD1-CD1 3.58Å; I739-I817 HydrophobicContact CG2-CG2 3.6Å; I739-M819 HydrophobicContact CD1-CE 4.37Å; I739-M819 HydrophobicContact CG1-CE 4.4Å; I739-M819 HydrophobicContact CG1-CG 4.3Å; I739-M819 HydrophobicContact CG2-CG 4.24Å
740	I	87.9	Confident	79	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.6	-171.4	-49.8	94.5	0	0	0	109.3	E738 W775 L793 E794 L818	E738-I740 HydrophobicContact CB-CD1 3.99Å; I740-W775 HydrophobicContact CD1-CH2 3.46Å; I740-W775 VanDerWaalsContact CD1-CH2 3.46Å; I740-W775 HydrophobicContact CD1-CZ2 3.58Å; I740-W775 HydrophobicContact CD1-CZ3 4.11Å; I740-W775 HydrophobicContact CG1-CD2 4.35Å; I740-W775 HydrophobicContact CG1-CE3 4.24Å; I740-W775 HydrophobicContact CG1-CH2 3.76Å; I740-W775 HydrophobicContact CG1-CZ2 3.86Å; I740-W775 HydrophobicContact CG1-CZ3 3.93Å; I740-W775 HydrophobicContact CG2-CZ3 4.44Å; I740-L793 HydrophobicContact CG2-CB 4.03Å; I740-L793 HydrophobicContact CG2-CD2 3.94Å; I740-E794 CarbonylContact C-O 3.56Å; I740-E794 WeakPolarHBondContact CA-O 3.45Å; I740-L818 HydrophobicContact CB-CB 4.4Å; I740-L818 PolarHBondContact N-O 3.2Å; I740-L818 PolarHBondContact O-N 2.79Å
741	Q	89.3	Confident	80.1	Confident	13 Å²	13	40 Å²	40	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.3	171.7	-54.2	-167.9	70.8	0	0	111	Y743 L793 E794 I796 S810 A814	Q741-Y743 HydrophobicContact CB-CE2 4.06Å; Q741-L793 WeakPolarHBondContact O-CA 3.29Å; Q741-E794 HydrophobicContact CB-CB 4.35Å; Q741-E794 PolarHBondContact N-O 2.83Å; Q741-E794 PolarHBondContact O-N 2.91Å; Q741-I796 HydrophobicContact CG-CD1 3.46Å; Q741-I796 VanDerWaalsContact CG-CD1 3.46Å; Q741-I796 HydrophobicContact CG-CG1 3.61Å; Q741-S810 VanDerWaalsContact OE1-CA 3.24Å; Q741-A814 HydrophobicContact CB-CB 4.18Å
742	L	88.3	Confident	81	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.9	174.9	-78.1	152.2	0	0	0	109.9	L688 L746 L754 I792 L793 A814 T815 A816 L818	L688-L742 HydrophobicContact CD1-CD1 3.73Å; L742-L746 HydrophobicContact CD1-CD2 4.24Å; L742-L754 HydrophobicContact CD1-CD1 4.31Å; L742-L754 HydrophobicContact CD2-CD1 3.96Å; L742-L754 HydrophobicContact CD2-CD2 4.43Å; L742-I792 WeakPolarHBondContact CA-O 3.12Å; L742-L793 HydrophobicContact CD2-CD2 3.47Å; L742-L793 VanDerWaalsContact CD2-CD2 3.47Å; L742-L793 HydrophobicContact CG-CD2 4.1Å; L742-A814 CarbonylContact O-C 3.57Å; L742-A814 VanDerWaalsContact O-CA 3.27Å; L742-A814 WeakPolarHBondContact O-CA 3.41Å; L742-T815 PolarHBondContact O-N 2.79Å; L742-T815 PolarHBondContact O-OG1 3.31Å; L742-T815 VanDerWaalsContact O-OG1 3.11Å; L742-A816 HydrophobicContact CB-CB 4.12Å; L742-A816 HydrophobicContact CD1-CB 3.89Å; L742-A816 PolarHBondContact N-O 2.98Å; L742-L818 HydrophobicContact CD1-CB 3.86Å
743	Y	86.6	Confident	81.5	Confident	45 Å²	45	38 Å²	38	18%	0.176	19%	0.191	C	C	.	.			trans	-116.1	7	178.8	-65.8	-82.4	0	0	0	113.9	Q741 H791 I792 E794 D811 T813 A814	Q741-Y743 HydrophobicContact CB-CE2 4.06Å; Y743-H791 AromaticContact CD2-CE1 3.97Å; Y743-H791 AromaticContact CD2-ND1 3.48Å; Y743-H791 WeakPolarHBondContact CD2-ND1 3.46Å; Y743-H791 AromaticContact CE2-CE1 3.72Å; Y743-H791 AromaticContact CE2-ND1 3.64Å; Y743-I792 PolarHBondContact N-O 2.9Å; Y743-I792 VanDerWaalsContact N-O 3.12Å; Y743-E794 HydrophobicContact CE2-CB 3.7Å; Y743-E794 WeakPolarHBondContact CE2-OE2 3.46Å; Y743-E794 PolarHBondContact OH-OE2 2.68Å; Y743-D811 HydrophobicContact CE1-CB 4.32Å; Y743-T813 WeakPolarHBondContact CE1-OG1 3.4Å; Y743-A814 HydrophobicContact CD1-CB 4.44Å; Y743-A814 HydrophobicContact CE1-CB 4.07Å
744	I	81.7	Confident	82.1	Confident	14 Å²	14	36.2 Å²	36.2	7%	0.072	18%	0.181	C	C	.	.	S	Bend	trans	-114.8	140.1	179.8	-71.5	-168	0	0	0	110	V750 L786 T788 I792 T815	I744-V750 HydrophobicContact CG2-CG1 4.47Å; I744-V750 HydrophobicContact CG2-CG2 4.11Å; I744-L786 HydrophobicContact CD1-CD1 4.34Å; I744-T788 HydrophobicContact CD1-CG2 3.75Å; I744-I792 HydrophobicContact CD1-CB 4.3Å; I744-I792 HydrophobicContact CD1-CD1 3.87Å; I744-I792 HydrophobicContact CD1-CG1 3.69Å; I744-I792 HydrophobicContact CD1-CG2 4.06Å; I744-I792 HydrophobicContact CG1-CG1 4.49Å; I744-I792 HydrophobicContact CG1-CG2 4.33Å; I744-T815 PolarHBondContact N-OG1 3.44Å; I744-T815 PolarHBondContact O-OG1 3.25Å
745	P	77.1	Confident	82.2	Confident	70 Å²	70	35.2 Å²	35.2	46%	0.455	18%	0.178	S	C	.	.			trans	-61.7	135.1	177.7	24.4	-35.2	0	0	0	112.3	K747	P745-K747 PolarHBondContact O-N 2.83Å
746	L	76.2	Confident	81.5	Confident	37 Å²	37	38.4 Å²	38.4	19%	0.194	20%	0.2	C	C	.	.			trans	-78.8	85.2	-174.4	-71.2	172.1	0	0	0	112.4	L688 T690 L742 V750 I751 L754 A816	L688-L746 HydrophobicContact CD1-CD1 3.82Å; L688-L746 HydrophobicContact CD1-CD2 4.17Å; L688-L746 HydrophobicContact CD2-CD1 3.91Å; L688-L746 HydrophobicContact CD2-CD2 4.16Å; L688-L746 HydrophobicContact CG-CD1 3.9Å; T690-L746 HydrophobicContact CG2-CD1 3.87Å; L742-L746 HydrophobicContact CD1-CD2 4.24Å; L746-V750 HydrophobicContact CD2-CG1 4.29Å; L746-I751 HydrophobicContact CB-CD1 4.38Å; L746-I751 HydrophobicContact CB-CG1 4.38Å; L746-I751 HydrophobicContact CD2-CG1 4.14Å; L746-L754 HydrophobicContact CD2-CD1 4.48Å; L746-A816 HydrophobicContact CD1-CB 3.62Å; L746-A816 HydrophobicContact CG-CB 4.39Å
747	K	77.3	Confident	80.7	Confident	129 Å²	129	40.7 Å²	40.7	56%	0.561	21%	0.208	S	C	*	.			trans	-82.8	159.8	162.9	-61.4	-175.3	178.7	-176.2	0	110.8	P745 E749 V750 I751	P745-K747 PolarHBondContact O-N 2.83Å; K747-E749 PolarHBondContact O-N 2.83Å; K747-V750 HydrophobicContact CB-CG2 4.39Å; K747-V750 WeakPolarHBondContact O-CA 3.43Å; K747-V750 WeakPolarHBondContact O-CB 3.21Å; K747-V750 PolarHBondContact O-N 3.11Å; K747-I751 WeakPolarHBondContact O-CG1 3.43Å; K747-I751 PolarHBondContact O-N 3.07Å
748	E	75.3	Confident	79.5	Confident	169 Å²	169	40.9 Å²	40.9	79%	0.79	21%	0.209	S	C	*	.	H	α-helix	trans	-52	-39	172.9	-63.2	-172.2	147.3	0	0	112.5	V750 I751 S752	E748-V750 VanDerWaalsContact C-N 3.31Å; E748-V750 PolarHBondContact O-N 3.21Å; E748-I751 PolarHBondContact O-N 2.74Å; E748-S752 WeakPolarHBondContact O-CB 3.27Å; E748-S752 PolarHBondContact O-N 3.43Å
749	E	76	Confident	78.1	Confident	119 Å²	119	46.2 Å²	46.2	56%	0.556	24%	0.238	S	C	*	.	H	α-helix	trans	-56.5	-41.8	174.1	-62.1	170.1	160.9	0	0	112.7	K747 A753	K747-E749 PolarHBondContact O-N 2.83Å; E749-A753 WeakPolarHBondContact O-CB 3.25Å; E749-A753 PolarHBondContact O-N 2.75Å
750	V	79.8	Confident	76.4	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-75.5	-43.3	-179.2	-179.9	0	0	0	0	110.1	I744 L746 K747 E748 A753 L754 L786	I744-V750 HydrophobicContact CG2-CG1 4.47Å; I744-V750 HydrophobicContact CG2-CG2 4.11Å; L746-V750 HydrophobicContact CD2-CG1 4.29Å; K747-V750 HydrophobicContact CB-CG2 4.39Å; K747-V750 WeakPolarHBondContact O-CA 3.43Å; K747-V750 WeakPolarHBondContact O-CB 3.21Å; K747-V750 PolarHBondContact O-N 3.11Å; E748-V750 VanDerWaalsContact C-N 3.31Å; E748-V750 PolarHBondContact O-N 3.21Å; V750-A753 PolarHBondContact O-N 2.85Å; V750-L754 HydrophobicContact CG1-CD1 4.09Å; V750-L754 VanDerWaalsContact O-CG 3.3Å; V750-L754 WeakPolarHBondContact O-CG 3.44Å; V750-L754 PolarHBondContact O-N 2.83Å; V750-L786 HydrophobicContact CG2-CD1 4.08Å; V750-L786 HydrophobicContact CG2-CD2 3.91Å
751	I	78.2	Confident	74.7	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.128	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-48.7	176	-63.4	170.4	0	0	0	109.6	I624 M632 L688 L746 K747 E748 A753 L754 T755	I624-I751 HydrophobicContact CD1-CG2 4.36Å; I624-I751 HydrophobicContact CG2-CG2 3.75Å; M632-I751 HydrophobicContact SD-CD1 4.48Å; L688-I751 HydrophobicContact CD2-CD1 4.33Å; L688-I751 HydrophobicContact CD2-CG1 4.05Å; L746-I751 HydrophobicContact CB-CD1 4.38Å; L746-I751 HydrophobicContact CB-CG1 4.38Å; L746-I751 HydrophobicContact CD2-CG1 4.14Å; K747-I751 WeakPolarHBondContact O-CG1 3.43Å; K747-I751 PolarHBondContact O-N 3.07Å; E748-I751 PolarHBondContact O-N 2.74Å; I751-A753 VanDerWaalsContact C-N 3.35Å; I751-A753 PolarHBondContact O-N 2.94Å; I751-L754 PolarHBondContact O-N 3.22Å; I751-T755 HydrophobicContact CG2-CG2 4.3Å; I751-T755 WeakPolarHBondContact O-CG2 3.47Å; I751-T755 PolarHBondContact O-N 3.15Å; I751-T755 PolarHBondContact O-OG1 3.39Å; I751-T755 VanDerWaalsContact O-OG1 3.05Å
752	S	78	Confident	72.8	Confident	63 Å²	63	56 Å²	56	44%	0.441	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-40.3	174.9	-175.4	0	0	0	0	112.3	E748 L754 T755 S756	E748-S752 WeakPolarHBondContact O-CB 3.27Å; E748-S752 PolarHBondContact O-N 3.43Å; S752-L754 PolarHBondContact O-N 2.84Å; S752-T755 PolarHBondContact O-OG1 2.86Å; S752-S756 VanDerWaalsContact O-CB 3.28Å; S752-S756 WeakPolarHBondContact O-CB 3.45Å; S752-S756 PolarHBondContact O-N 2.83Å; S752-S756 PolarHBondContact O-OG 3.06Å
753	A	78.5	Confident	70.9	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-39.2	177.7	0	0	0	0	0	113	E749 V750 I751 S756 R757 L782 Y785	E749-A753 WeakPolarHBondContact O-CB 3.25Å; E749-A753 PolarHBondContact O-N 2.75Å; V750-A753 PolarHBondContact O-N 2.85Å; I751-A753 VanDerWaalsContact C-N 3.35Å; I751-A753 PolarHBondContact O-N 2.94Å; A753-S756 PolarHBondContact O-OG 2.87Å; A753-R757 WeakPolarHBondContact O-CB 3.37Å; A753-R757 WeakPolarHBondContact O-CG 3.49Å; A753-R757 PolarHBondContact O-N 2.84Å; A753-R757 PolarHBondContact O-NH1 2.78Å; A753-L782 HydrophobicContact CB-CD2 3.7Å; A753-Y785 HydrophobicContact CB-CD1 3.58Å; A753-Y785 HydrophobicContact CB-CE1 3.57Å
754	L	78.4	Confident	68.9	Low	3 Å²	3	65.3 Å²	65.3	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-56.3	174.8	-70.9	164.9	0	0	0	110.9	L742 L746 V750 I751 S752 S756 R757 I758 L782 L793 L818	L742-L754 HydrophobicContact CD1-CD1 4.31Å; L742-L754 HydrophobicContact CD2-CD1 3.96Å; L742-L754 HydrophobicContact CD2-CD2 4.43Å; L746-L754 HydrophobicContact CD2-CD1 4.48Å; V750-L754 HydrophobicContact CG1-CD1 4.09Å; V750-L754 VanDerWaalsContact O-CG 3.3Å; V750-L754 WeakPolarHBondContact O-CG 3.44Å; V750-L754 PolarHBondContact O-N 2.83Å; I751-L754 PolarHBondContact O-N 3.22Å; S752-L754 PolarHBondContact O-N 2.84Å; L754-S756 PolarHBondContact O-N 2.76Å; L754-R757 PolarHBondContact O-N 2.93Å; L754-R757 VanDerWaalsContact O-N 3.09Å; L754-I758 HydrophobicContact CB-CD1 3.96Å; L754-I758 HydrophobicContact CD2-CD1 4.28Å; L754-I758 WeakPolarHBondContact O-CB 3.49Å; L754-I758 WeakPolarHBondContact O-CD1 3.39Å; L754-I758 WeakPolarHBondContact O-CG1 3.46Å; L754-I758 PolarHBondContact O-N 3.23Å; L754-L782 HydrophobicContact CD2-CD1 3.71Å; L754-L793 HydrophobicContact CD2-CD2 4.31Å; L754-L818 HydrophobicContact CD2-CD2 4.43Å
755	T	74.4	Confident	67.5	Low	24 Å²	24	72.3 Å²	72.3	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-26.9	-174	57.6	0	0	0	0	113.5	L686 I751 S752	L686-T755 HydrophobicContact CD2-CG2 3.85Å; I751-T755 HydrophobicContact CG2-CG2 4.3Å; I751-T755 WeakPolarHBondContact O-CG2 3.47Å; I751-T755 PolarHBondContact O-N 3.15Å; I751-T755 PolarHBondContact O-OG1 3.39Å; I751-T755 VanDerWaalsContact O-OG1 3.05Å; S752-T755 PolarHBondContact O-OG1 2.86Å
756	S	72.6	Confident	66.4	Low	68 Å²	68	70.3 Å²	70.3	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-79.2	-27.5	174.3	55.8	0	0	0	0	114.6	S752 A753 L754	S752-S756 VanDerWaalsContact O-CB 3.28Å; S752-S756 WeakPolarHBondContact O-CB 3.45Å; S752-S756 PolarHBondContact O-N 2.83Å; S752-S756 PolarHBondContact O-OG 3.06Å; A753-S756 PolarHBondContact O-OG 2.87Å; L754-S756 PolarHBondContact O-N 2.76Å
757	R	70.6	Confident	65.7	Low	65 Å²	65	70.8 Å²	70.8	25%	0.245	37%	0.374	C	S	.	.	H	α-helix	trans	-105.8	-17	-171.7	-69.3	176.5	179.9	72.3	-3.1	115.3	A753 L754 N759 F760 L778	A753-R757 WeakPolarHBondContact O-CB 3.37Å; A753-R757 WeakPolarHBondContact O-CG 3.49Å; A753-R757 PolarHBondContact O-N 2.84Å; A753-R757 PolarHBondContact O-NH1 2.78Å; L754-R757 PolarHBondContact O-N 2.93Å; L754-R757 VanDerWaalsContact O-N 3.09Å; R757-N759 PolarHBondContact O-N 3.27Å; R757-F760 VanDerWaalsContact O-CE2 3.27Å; R757-F760 WeakPolarHBondContact O-CE2 3.49Å; R757-L778 HydrophobicContact CB-CD1 3.74Å
758	I	65.2	Low	65	Low	5 Å²	5	68.1 Å²	68.1	3%	0.026	36%	0.361	C	S	.	.			trans	-67.5	-16.7	-179.2	-75.7	166.8	0	0	0	113	L686 L754 F760 L778 L818 R820	L686-I758 HydrophobicContact CD1-CD1 3.95Å; L686-I758 HydrophobicContact CD1-CG2 4.23Å; L686-I758 HydrophobicContact CD2-CD1 4.18Å; L754-I758 HydrophobicContact CB-CD1 3.96Å; L754-I758 HydrophobicContact CD2-CD1 4.28Å; L754-I758 WeakPolarHBondContact O-CB 3.49Å; L754-I758 WeakPolarHBondContact O-CD1 3.39Å; L754-I758 WeakPolarHBondContact O-CG1 3.46Å; L754-I758 PolarHBondContact O-N 3.23Å; I758-F760 WeakPolarHBondContact O-CD2 3.35Å; I758-F760 PolarHBondContact O-N 2.86Å; I758-L778 HydrophobicContact CG1-CD2 4.2Å; I758-L818 HydrophobicContact CD1-CD2 3.84Å; I758-R820 VanDerWaalsContact CG2-CD 3.49Å
759	N	57.7	Low	64.6	Low	114 Å²	114	64.8 Å²	64.8	61%	0.61	35%	0.349	S	S	*	.			trans	-70.9	50.2	177.6	-66.6	-13.3	0	0	0	114.5	R757	R757-N759 PolarHBondContact O-N 3.27Å
760	F	55.3	Low	64.3	Low	52 Å²	52	61.6 Å²	61.6	23%	0.228	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-84.9	144.7	164.6	-26.2	-115	0	0	0	111	R757 I758 R774 L778	R757-F760 VanDerWaalsContact O-CE2 3.27Å; R757-F760 WeakPolarHBondContact O-CE2 3.49Å; I758-F760 WeakPolarHBondContact O-CD2 3.35Å; I758-F760 PolarHBondContact O-N 2.86Å; F760-R774 PolarHBondContact O-NH2 2.88Å; F760-L778 HydrophobicContact CE2-CB 4.43Å; F760-L778 HydrophobicContact CE2-CD1 4.36Å; F760-L778 HydrophobicContact CE2-CD2 4.2Å; F760-L778 HydrophobicContact CZ-CB 3.87Å; F760-L778 HydrophobicContact CZ-CD1 3.89Å; F760-L778 HydrophobicContact CZ-CD2 4.37Å; F760-L778 HydrophobicContact CZ-CG 4.22Å
761	P	52	Low	64	Low	94 Å²	94	61.6 Å²	61.6	61%	0.61	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-52.2	155.6	-176.4	-28.9	35.2	0	0	0	115.5	L763 R774	P761-L763 PolarHBondContact O-N 2.89Å; P761-R774 PolarHBondContact O-NH1 3.1Å
762	P	50.6	Low	63.7	Low	74 Å²	74	63.1 Å²	63.1	48%	0.481	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-60.1	121.8	159.6	25.1	-31.4	0	0	0	109.3
763	L	46.7	Very low	63.6	Low	82 Å²	82	65.8 Å²	65.8	43%	0.429	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-91.5	123.6	173.9	-69.9	169.7	0	0	0	108.6	P761 V766 V770	P761-L763 PolarHBondContact O-N 2.89Å; L763-V766 HydrophobicContact CB-CG2 4.13Å; L763-V770 HydrophobicContact CD1-CG1 4.08Å
764	L	45.8	Very low	63.5	Low	158 Å²	158	67.4 Å²	67.4	83%	0.827	36%	0.356	S	S	*	.	S	Bend	trans	-63	140.4	156.9	-75.6	81	0	0	0	107.5
765	E	51.3	Low	63.5	Low	161 Å²	161	67.7 Å²	67.7	75%	0.752	36%	0.357	S	S	*	.	S	Bend	trans	65.6	57.4	177.5	-52.8	-172.8	161.9	0	0	115.1	S767	E765-S767 PolarHBondContact O-N 2.92Å
766	V	55	Low	63.8	Low	27 Å²	27	70.8 Å²	70.8	16%	0.164	37%	0.37	C	S	.	.			trans	-69.9	97.1	165.8	-175.8	0	0	0	0	110.3	I731 L763 W771	I731-V766 WeakPolarHBondContact CG2-O 3.48Å; L763-V766 HydrophobicContact CB-CG2 4.13Å; V766-W771 HydrophobicContact CG1-CB 3.87Å; V766-W771 HydrophobicContact CG1-CG 4.49Å
767	S	60.3	Low	64.3	Low	48 Å²	48	71.7 Å²	71.7	34%	0.336	37%	0.369	S	S	.	.			trans	-72	158.5	156.5	87.9	0	0	0	0	110	E765 D769 V770 W771	E765-S767 PolarHBondContact O-N 2.92Å; S767-D769 PolarHBondContact O-N 2.91Å; S767-D769 PolarHBondContact OG-N 2.82Å; S767-V770 PolarHBondContact O-N 3.16Å; S767-V770 WeakPolarHBondContact OG-CG2 3Å; S767-V770 PolarHBondContact OG-N 2.77Å; S767-W771 PolarHBondContact O-N 2.74Å
768	Y	64.2	Low	64.8	Low	72 Å²	72	68.6 Å²	68.6	28%	0.282	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-36.9	177.7	-178	-114.9	0	0	0	112.4	W771 I772 N933 R935	Y768-W771 AromaticContact CD2-CE3 3.94Å; Y768-W771 HydrophobicContact CD2-CE3 3.94Å; Y768-W771 HydrophobicContact CD2-CZ3 4.47Å; Y768-W771 AromaticContact CE2-CE3 3.62Å; Y768-W771 HydrophobicContact CE2-CE3 3.62Å; Y768-W771 AromaticContact CE2-CZ3 3.77Å; Y768-W771 HydrophobicContact CE2-CZ3 3.77Å; Y768-W771 WeakPolarHBondContact O-CB 3.28Å; Y768-W771 PolarHBondContact O-N 2.84Å; Y768-I772 HydrophobicContact CD1-CD1 4.13Å; Y768-I772 HydrophobicContact CE1-CD1 3.45Å; Y768-I772 VanDerWaalsContact CE1-CD1 3.45Å; Y768-I772 HydrophobicContact CE1-CG1 4.28Å; Y768-I772 HydrophobicContact CE2-CD1 4.34Å; Y768-I772 HydrophobicContact CE2-CG1 4.4Å; Y768-I772 PolarHBondContact O-N 2.78Å; Y768-N933 PolarHBondContact OH-OD1 3.39Å; Y768-R935 HydrophobicContact CE2-CB 4.26Å; Y768-R935 VanDerWaalsContact CE2-CD 3.48Å; Y768-R935 HydrophobicContact CE2-CG 4.47Å; Y768-R935 WeakPolarHBondContact OH-CB 3.2Å
769	D	67.3	Low	65.6	Low	100 Å²	100	69 Å²	69	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-68.1	-38.8	178.1	-43.7	-79.8	0	0	0	111.9	S767 W771 I772 Q773	S767-D769 PolarHBondContact O-N 2.91Å; S767-D769 PolarHBondContact OG-N 2.82Å; D769-W771 VanDerWaalsContact C-N 3.3Å; D769-W771 PolarHBondContact O-N 3.21Å; D769-I772 PolarHBondContact O-N 2.68Å; D769-Q773 WeakPolarHBondContact O-CB 3.41Å; D769-Q773 WeakPolarHBondContact O-CG 3.44Å; D769-Q773 PolarHBondContact O-N 3.07Å
770	V	69.2	Low	66.9	Low	52 Å²	52	67.5 Å²	67.5	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-37.7	174.1	170.8	0	0	0	0	110.8	L763 S767 Q773 R774	L763-V770 HydrophobicContact CD1-CG1 4.08Å; S767-V770 PolarHBondContact O-N 3.16Å; S767-V770 WeakPolarHBondContact OG-CG2 3Å; S767-V770 PolarHBondContact OG-N 2.77Å; V770-Q773 PolarHBondContact O-N 3.02Å; V770-R774 WeakPolarHBondContact O-CB 3.04Å; V770-R774 PolarHBondContact O-N 2.78Å
771	W	72.3	Confident	68.3	Low	7 Å²	7	69.2 Å²	69.2	3%	0.027	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-51.2	174.2	-172.8	66.2	0	0	0	111.9	E738 V766 S767 Y768 D769 Q773 R774 W775 P795 I798	E738-W771 PolarHBondContact OE1-NE1 2.83Å; V766-W771 HydrophobicContact CG1-CB 3.87Å; V766-W771 HydrophobicContact CG1-CG 4.49Å; S767-W771 PolarHBondContact O-N 2.74Å; Y768-W771 AromaticContact CD2-CE3 3.94Å; Y768-W771 HydrophobicContact CD2-CE3 3.94Å; Y768-W771 HydrophobicContact CD2-CZ3 4.47Å; Y768-W771 AromaticContact CE2-CE3 3.62Å; Y768-W771 HydrophobicContact CE2-CE3 3.62Å; Y768-W771 AromaticContact CE2-CZ3 3.77Å; Y768-W771 HydrophobicContact CE2-CZ3 3.77Å; Y768-W771 WeakPolarHBondContact O-CB 3.28Å; Y768-W771 PolarHBondContact O-N 2.84Å; D769-W771 VanDerWaalsContact C-N 3.3Å; D769-W771 PolarHBondContact O-N 3.21Å; W771-Q773 VanDerWaalsContact C-N 3.35Å; W771-Q773 PolarHBondContact O-N 2.86Å; W771-R774 PolarHBondContact O-N 2.77Å; W771-W775 AromaticContact CD1-NE1 3.82Å; W771-W775 AromaticContact CE2-CD1 3.82Å; W771-W775 AromaticContact CE2-NE1 3.62Å; W771-W775 AromaticContact NE1-CD1 3.74Å; W771-W775 AromaticContact NE1-NE1 3.25Å; W771-W775 VanDerWaalsContact O-CD1 3.27Å; W771-W775 PolarHBondContact O-N 2.87Å; W771-P795 HydrophobicContact CH2-CB 3.64Å; W771-P795 HydrophobicContact CZ2-CB 4.1Å; W771-P795 HydrophobicContact CZ3-CB 3.99Å; W771-I798 HydrophobicContact CD2-CG2 4.23Å; W771-I798 HydrophobicContact CE3-CG2 4.4Å; W771-I798 HydrophobicContact CH2-CB 4.23Å; W771-I798 HydrophobicContact CH2-CG2 4.09Å; W771-I798 HydrophobicContact CZ2-CB 3.74Å; W771-I798 HydrophobicContact CZ2-CG2 3.92Å; W771-I798 HydrophobicContact CZ3-CG2 4.34Å
772	I	73	Confident	69.7	Low	56 Å²	56	64.9 Å²	64.9	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-46.1	175	-72.3	-179.1	0	0	0	111.1	Y768 D769 R774 W775 H776	Y768-I772 HydrophobicContact CD1-CD1 4.13Å; Y768-I772 HydrophobicContact CE1-CD1 3.45Å; Y768-I772 VanDerWaalsContact CE1-CD1 3.45Å; Y768-I772 HydrophobicContact CE1-CG1 4.28Å; Y768-I772 HydrophobicContact CE2-CD1 4.34Å; Y768-I772 HydrophobicContact CE2-CG1 4.4Å; Y768-I772 PolarHBondContact O-N 2.78Å; D769-I772 PolarHBondContact O-N 2.68Å; I772-R774 VanDerWaalsContact C-N 3.31Å; I772-R774 PolarHBondContact O-N 3.38Å; I772-W775 PolarHBondContact O-N 3.05Å; I772-H776 WeakPolarHBondContact O-CB 3.22Å; I772-H776 PolarHBondContact O-N 3.36Å
773	Q	76	Confident	71.4	Confident	119 Å²	119	63.4 Å²	63.4	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-38.1	-178.7	-74.8	173.3	24.8	0	0	112.1	D769 V770 W771 H776 N777	D769-Q773 WeakPolarHBondContact O-CB 3.41Å; D769-Q773 WeakPolarHBondContact O-CG 3.44Å; D769-Q773 PolarHBondContact O-N 3.07Å; V770-Q773 PolarHBondContact O-N 3.02Å; W771-Q773 VanDerWaalsContact C-N 3.35Å; W771-Q773 PolarHBondContact O-N 2.86Å; Q773-H776 PolarHBondContact O-N 2.8Å; Q773-N777 WeakPolarHBondContact O-CB 3.21Å; Q773-N777 PolarHBondContact O-N 2.78Å; Q773-N777 PolarHBondContact O-ND2 2.93Å
774	R	76.5	Confident	73.2	Confident	34 Å²	34	66.1 Å²	66.1	13%	0.128	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-48.5	173.3	176	175.3	168.4	146.9	-3.3	111.7	F760 P761 V770 W771 I772 N777 L778	F760-R774 PolarHBondContact O-NH2 2.88Å; P761-R774 PolarHBondContact O-NH1 3.1Å; V770-R774 WeakPolarHBondContact O-CB 3.04Å; V770-R774 PolarHBondContact O-N 2.78Å; W771-R774 PolarHBondContact O-N 2.77Å; I772-R774 VanDerWaalsContact C-N 3.31Å; I772-R774 PolarHBondContact O-N 3.38Å; R774-N777 PolarHBondContact O-N 2.75Å; R774-L778 PolarHBondContact O-N 2.92Å
775	W	77.7	Confident	74.9	Confident	10 Å²	10	64.1 Å²	64.1	4%	0.038	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-40.2	177.9	-76	106.2	0	0	0	113	E738 I740 W771 I772 N777 L778 E779 L793 P795	E738-W775 PolarHBondContact OE1-NE1 2.94Å; E738-W775 VanDerWaalsContact OE1-NE1 3.14Å; I740-W775 HydrophobicContact CD1-CH2 3.46Å; I740-W775 VanDerWaalsContact CD1-CH2 3.46Å; I740-W775 HydrophobicContact CD1-CZ2 3.58Å; I740-W775 HydrophobicContact CD1-CZ3 4.11Å; I740-W775 HydrophobicContact CG1-CD2 4.35Å; I740-W775 HydrophobicContact CG1-CE3 4.24Å; I740-W775 HydrophobicContact CG1-CH2 3.76Å; I740-W775 HydrophobicContact CG1-CZ2 3.86Å; I740-W775 HydrophobicContact CG1-CZ3 3.93Å; I740-W775 HydrophobicContact CG2-CZ3 4.44Å; W771-W775 AromaticContact CD1-NE1 3.82Å; W771-W775 AromaticContact CE2-CD1 3.82Å; W771-W775 AromaticContact CE2-NE1 3.62Å; W771-W775 AromaticContact NE1-CD1 3.74Å; W771-W775 AromaticContact NE1-NE1 3.25Å; W771-W775 VanDerWaalsContact O-CD1 3.27Å; W771-W775 PolarHBondContact O-N 2.87Å; I772-W775 PolarHBondContact O-N 3.05Å; W775-N777 VanDerWaalsContact C-N 3.27Å; W775-N777 PolarHBondContact O-N 2.68Å; W775-L778 HydrophobicContact CE3-CD2 3.88Å; W775-L778 HydrophobicContact CH2-CD2 4.35Å; W775-L778 HydrophobicContact CZ3-CD2 3.53Å; W775-L778 PolarHBondContact O-N 3.46Å; W775-E779 PolarHBondContact O-N 3.29Å; W775-L793 HydrophobicContact CE3-CD1 4Å; W775-L793 HydrophobicContact CZ3-CD1 4.11Å; W775-P795 HydrophobicContact CB-CG 4.25Å; W775-P795 HydrophobicContact CG-CB 4.22Å; W775-P795 HydrophobicContact CG-CG 4.4Å
776	H	80.9	Confident	76.3	Confident	89 Å²	89	58.7 Å²	58.7	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-74.7	-15.6	178.5	-166.8	50.9	0	0	0	113.4	I772 Q773 E779 K780	I772-H776 WeakPolarHBondContact O-CB 3.22Å; I772-H776 PolarHBondContact O-N 3.36Å; Q773-H776 PolarHBondContact O-N 2.8Å; H776-E779 IonicContact CE1-OE2 3.97Å; H776-E779 IonicContact ND1-OE2 3.39Å; H776-E779 PolarHBondContact ND1-OE2 2.04Å; H776-K780 PolarHBondContact CD2-NZ 2.63Å; H776-K780 VanDerWaalsContact NE2-CE 3.31Å; H776-K780 WeakPolarHBondContact NE2-CE 3.47Å; H776-K780 PolarHBondContact NE2-NZ 2.93Å; H776-K780 VanDerWaalsContact O-CD 3.25Å; H776-K780 WeakPolarHBondContact O-CD 3.27Å; H776-K780 WeakPolarHBondContact O-CE 3.41Å; H776-K780 WeakPolarHBondContact O-CG 3.43Å
777	N	82.1	Confident	77.6	Confident	87 Å²	87	60.8 Å²	60.8	47%	0.465	31%	0.313	S	S	.	.	H	α-helix	trans	-81.6	-44	165.9	-71.3	-19.5	0	0	0	111.4	Q773 R774 W775 E779 K780 E781	Q773-N777 WeakPolarHBondContact O-CB 3.21Å; Q773-N777 PolarHBondContact O-N 2.78Å; Q773-N777 PolarHBondContact O-ND2 2.93Å; R774-N777 PolarHBondContact O-N 2.75Å; W775-N777 VanDerWaalsContact C-N 3.27Å; W775-N777 PolarHBondContact O-N 2.68Å; N777-E779 VanDerWaalsContact C-N 3.31Å; N777-E779 PolarHBondContact O-N 2.97Å; N777-K780 PolarHBondContact O-N 2.81Å; N777-K780 VanDerWaalsContact O-N 3.13Å; N777-E781 PolarHBondContact O-N 2.82Å
778	L	81.3	Confident	78.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-43	173.9	-179.6	59.4	0	0	0	111.8	R757 I758 F760 R774 W775 K780 E781 L782 L793	R757-L778 HydrophobicContact CB-CD1 3.74Å; I758-L778 HydrophobicContact CG1-CD2 4.2Å; F760-L778 HydrophobicContact CE2-CB 4.43Å; F760-L778 HydrophobicContact CE2-CD1 4.36Å; F760-L778 HydrophobicContact CE2-CD2 4.2Å; F760-L778 HydrophobicContact CZ-CB 3.87Å; F760-L778 HydrophobicContact CZ-CD1 3.89Å; F760-L778 HydrophobicContact CZ-CD2 4.37Å; F760-L778 HydrophobicContact CZ-CG 4.22Å; R774-L778 PolarHBondContact O-N 2.92Å; W775-L778 HydrophobicContact CE3-CD2 3.88Å; W775-L778 HydrophobicContact CH2-CD2 4.35Å; W775-L778 HydrophobicContact CZ3-CD2 3.53Å; W775-L778 PolarHBondContact O-N 3.46Å; L778-K780 VanDerWaalsContact C-N 3.29Å; L778-K780 PolarHBondContact O-N 3.19Å; L778-E781 PolarHBondContact O-N 2.97Å; L778-L782 HydrophobicContact CD1-CD1 4.11Å; L778-L782 HydrophobicContact CD1-CG 4.12Å; L778-L782 HydrophobicContact CG-CD1 3.92Å; L778-L782 HydrophobicContact CG-CG 4.37Å; L778-L782 WeakPolarHBondContact O-CG 3.16Å; L778-L782 PolarHBondContact O-N 2.72Å; L778-L793 HydrophobicContact CD2-CD1 3.84Å; L778-L793 HydrophobicContact CG-CD1 3.97Å
779	E	83.6	Confident	79.3	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.065	33%	0.331	C	S	.	.	H	α-helix	trans	-56.1	-45.1	175.5	179.7	176.2	-138.3	0	0	111.1	W775 H776 N777 L782 Q783 H791 I792	W775-E779 PolarHBondContact O-N 3.29Å; H776-E779 IonicContact CE1-OE2 3.97Å; H776-E779 IonicContact ND1-OE2 3.39Å; H776-E779 PolarHBondContact ND1-OE2 2.04Å; N777-E779 VanDerWaalsContact C-N 3.31Å; N777-E779 PolarHBondContact O-N 2.97Å; E779-L782 PolarHBondContact O-N 3.17Å; E779-Q783 HydrophobicContact CG-CG 4.28Å; E779-Q783 WeakPolarHBondContact O-CB 3.49Å; E779-Q783 VanDerWaalsContact O-CG 3.26Å; E779-Q783 WeakPolarHBondContact O-CG 3.05Å; E779-Q783 PolarHBondContact O-N 2.98Å; E779-H791 WeakPolarHBondContact OE1-CA 3.31Å; E779-H791 IonicContact OE1-CD2 3.82Å; E779-H791 PolarHBondContact OE1-CD2 2.93Å; E779-H791 VanDerWaalsContact OE1-CD2 3.22Å; E779-H791 IonicContact OE1-CG 3.22Å; E779-I792 HydrophobicContact CG-CB 4.26Å; E779-I792 HydrophobicContact CG-CG1 4.32Å; E779-I792 PolarHBondContact OE1-N 2.92Å
780	K	85.2	Confident	79.9	Confident	81 Å²	81	65 Å²	65	35%	0.352	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-39.6	177.9	-70.7	165.1	-168.2	160.4	0	112.4	H776 N777 L778 L782 Q783 I784	H776-K780 PolarHBondContact CD2-NZ 2.63Å; H776-K780 VanDerWaalsContact NE2-CE 3.31Å; H776-K780 WeakPolarHBondContact NE2-CE 3.47Å; H776-K780 PolarHBondContact NE2-NZ 2.93Å; H776-K780 VanDerWaalsContact O-CD 3.25Å; H776-K780 WeakPolarHBondContact O-CD 3.27Å; H776-K780 WeakPolarHBondContact O-CE 3.41Å; H776-K780 WeakPolarHBondContact O-CG 3.43Å; N777-K780 PolarHBondContact O-N 2.81Å; N777-K780 VanDerWaalsContact O-N 3.13Å; L778-K780 VanDerWaalsContact C-N 3.29Å; L778-K780 PolarHBondContact O-N 3.19Å; K780-L782 VanDerWaalsContact C-N 3.33Å; K780-Q783 PolarHBondContact O-N 2.81Å; K780-I784 WeakPolarHBondContact O-CB 3.49Å; K780-I784 WeakPolarHBondContact O-CD1 3.34Å; K780-I784 WeakPolarHBondContact O-CG1 3.05Å; K780-I784 PolarHBondContact O-N 3.3Å
781	E	83.5	Confident	80.4	Confident	89 Å²	89	67.1 Å²	67.1	42%	0.416	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-39.2	174.4	-71.7	-177.5	-164.3	0	0	112.2	N777 L778 Y785	N777-E781 PolarHBondContact O-N 2.82Å; L778-E781 PolarHBondContact O-N 2.97Å; E781-Y785 VanDerWaalsContact O-CB 3.32Å; E781-Y785 WeakPolarHBondContact O-CB 3.44Å; E781-Y785 PolarHBondContact O-N 2.9Å
782	L	82.1	Confident	80.8	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-72.4	-37.9	175.8	-67.8	170.6	0	0	0	112.3	A753 L754 L778 E779 K780 I784 Y785 L786 I792 L793	A753-L782 HydrophobicContact CB-CD2 3.7Å; L754-L782 HydrophobicContact CD2-CD1 3.71Å; L778-L782 HydrophobicContact CD1-CD1 4.11Å; L778-L782 HydrophobicContact CD1-CG 4.12Å; L778-L782 HydrophobicContact CG-CD1 3.92Å; L778-L782 HydrophobicContact CG-CG 4.37Å; L778-L782 WeakPolarHBondContact O-CG 3.16Å; L778-L782 PolarHBondContact O-N 2.72Å; E779-L782 PolarHBondContact O-N 3.17Å; K780-L782 VanDerWaalsContact C-N 3.33Å; L782-I784 VanDerWaalsContact C-N 3.35Å; L782-Y785 PolarHBondContact O-N 2.82Å; L782-L786 VanDerWaalsContact O-CB 3.29Å; L782-L786 WeakPolarHBondContact O-CB 3.48Å; L782-L786 WeakPolarHBondContact O-CG 3.45Å; L782-L786 PolarHBondContact O-N 3.03Å; L782-I792 HydrophobicContact CB-CD1 3.78Å; L782-I792 HydrophobicContact CD1-CG2 4.47Å; L782-L793 HydrophobicContact CD1-CD1 3.67Å; L782-L793 HydrophobicContact CD1-CG 4.33Å
783	Q	85.2	Confident	81.3	Confident	43 Å²	43	64.4 Å²	64.4	20%	0.201	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-45.1	172.1	-78.1	174.1	-13	0	0	111.1	E779 K780 G787 T788 Q790 I792	E779-Q783 HydrophobicContact CG-CG 4.28Å; E779-Q783 WeakPolarHBondContact O-CB 3.49Å; E779-Q783 VanDerWaalsContact O-CG 3.26Å; E779-Q783 WeakPolarHBondContact O-CG 3.05Å; E779-Q783 PolarHBondContact O-N 2.98Å; K780-Q783 PolarHBondContact O-N 2.81Å; Q783-G787 WeakPolarHBondContact O-CA 3.43Å; Q783-G787 PolarHBondContact O-N 2.87Å; Q783-T788 VanDerWaalsContact CA-O 3.3Å; Q783-T788 WeakPolarHBondContact CA-O 3.5Å; Q783-T788 WeakPolarHBondContact CB-O 3.48Å; Q783-T788 VanDerWaalsContact CG-O 3.31Å; Q783-T788 WeakPolarHBondContact CG-O 3.32Å; Q783-T788 PolarHBondContact O-N 3.22Å; Q783-Q790 PolarHBondContact NE2-O 3.21Å; Q783-I792 HydrophobicContact CB-CD1 4.3Å; Q783-I792 HydrophobicContact CG-CD1 3.55Å; Q783-I792 HydrophobicContact CG-CG1 3.95Å
784	I	84.6	Confident	81.7	Confident	140 Å²	140	60.8 Å²	60.8	72%	0.718	31%	0.309	S	S	*	.	H	α-helix	trans	-63.5	-45.3	174.6	-69.7	163.8	0	0	0	111.1	K780 L782	K780-I784 WeakPolarHBondContact O-CB 3.49Å; K780-I784 WeakPolarHBondContact O-CD1 3.34Å; K780-I784 WeakPolarHBondContact O-CG1 3.05Å; K780-I784 PolarHBondContact O-N 3.3Å; L782-I784 VanDerWaalsContact C-N 3.35Å
785	Y	81.9	Confident	82	Confident	116 Å²	116	59.8 Å²	59.8	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-42.1	-177.7	-178.2	-101.2	0	0	0	113.3	A753 E781 L782 G787	A753-Y785 HydrophobicContact CB-CD1 3.58Å; A753-Y785 HydrophobicContact CB-CE1 3.57Å; E781-Y785 VanDerWaalsContact O-CB 3.32Å; E781-Y785 WeakPolarHBondContact O-CB 3.44Å; E781-Y785 PolarHBondContact O-N 2.9Å; L782-Y785 PolarHBondContact O-N 2.82Å; Y785-G787 VanDerWaalsContact C-N 3.33Å
786	L	81.5	Confident	82.4	Confident	46 Å²	46	60 Å²	60	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-87.2	-1.5	-178.9	-60.7	174	0	0	0	113.1	I744 V750 L782 T788 I792	I744-L786 HydrophobicContact CD1-CD1 4.34Å; V750-L786 HydrophobicContact CG2-CD1 4.08Å; V750-L786 HydrophobicContact CG2-CD2 3.91Å; L782-L786 VanDerWaalsContact O-CB 3.29Å; L782-L786 WeakPolarHBondContact O-CB 3.48Å; L782-L786 WeakPolarHBondContact O-CG 3.45Å; L782-L786 PolarHBondContact O-N 3.03Å; L786-T788 VanDerWaalsContact C-N 3.27Å; L786-T788 HydrophobicContact CB-CG2 3.99Å; L786-T788 PolarHBondContact O-N 2.77Å; L786-I792 HydrophobicContact CD1-CD1 4.34Å
787	G	82.5	Confident	82.4	Confident	71 Å²	71	56 Å²	56	73%	0.732	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	28.2	179.8	0	0	0	0	0	114.3	Q783 Y785	Q783-G787 WeakPolarHBondContact O-CA 3.43Å; Q783-G787 PolarHBondContact O-N 2.87Å; Y785-G787 VanDerWaalsContact C-N 3.33Å
788	T	80.5	Confident	82.5	Confident	22 Å²	22	52.7 Å²	52.7	14%	0.135	27%	0.273	C	S	.	.			trans	-123.6	141.1	-173.2	-171.9	0	0	0	0	112.3	I744 Q783 L786 Q790 I792	I744-T788 HydrophobicContact CD1-CG2 3.75Å; Q783-T788 VanDerWaalsContact CA-O 3.3Å; Q783-T788 WeakPolarHBondContact CA-O 3.5Å; Q783-T788 WeakPolarHBondContact CB-O 3.48Å; Q783-T788 VanDerWaalsContact CG-O 3.31Å; Q783-T788 WeakPolarHBondContact CG-O 3.32Å; Q783-T788 PolarHBondContact O-N 3.22Å; L786-T788 VanDerWaalsContact C-N 3.27Å; L786-T788 HydrophobicContact CB-CG2 3.99Å; L786-T788 PolarHBondContact O-N 2.77Å; T788-Q790 WeakPolarHBondContact OG1-CB 3.28Å; T788-Q790 WeakPolarHBondContact OG1-CG 3.42Å; T788-Q790 PolarHBondContact OG1-N 2.65Å; T788-Q790 PolarHBondContact OG1-OE1 3.14Å; T788-I792 HydrophobicContact CG2-CD1 4.06Å
789	N	78.7	Confident	82.8	Confident	161 Å²	161	53.1 Å²	53.1	86%	0.861	28%	0.275	S	S	*	.			trans	-98.9	17.1	172.7	-65.5	-8.6	0	0	0	112
790	Q	79.7	Confident	82.9	Confident	127 Å²	127	53 Å²	53	59%	0.593	28%	0.276	S	S	*	.	S	Bend	trans	-78.7	153.2	176.3	-68.9	172.6	-49.4	0	0	111	Q783 T788 I792	Q783-Q790 PolarHBondContact NE2-O 3.21Å; T788-Q790 WeakPolarHBondContact OG1-CB 3.28Å; T788-Q790 WeakPolarHBondContact OG1-CG 3.42Å; T788-Q790 PolarHBondContact OG1-N 2.65Å; T788-Q790 PolarHBondContact OG1-OE1 3.14Å; Q790-I792 WeakPolarHBondContact O-CG1 3.5Å
791	H	79.3	Confident	83	Confident	95 Å²	95	49.2 Å²	49.2	44%	0.44	26%	0.26	S	S	.	.			trans	-62	132.4	166.7	-174.6	-126.4	0	0	0	109	Y743 E779 E794	Y743-H791 AromaticContact CD2-CE1 3.97Å; Y743-H791 AromaticContact CD2-ND1 3.48Å; Y743-H791 WeakPolarHBondContact CD2-ND1 3.46Å; Y743-H791 AromaticContact CE2-CE1 3.72Å; Y743-H791 AromaticContact CE2-ND1 3.64Å; E779-H791 WeakPolarHBondContact OE1-CA 3.31Å; E779-H791 IonicContact OE1-CD2 3.82Å; E779-H791 PolarHBondContact OE1-CD2 2.93Å; E779-H791 VanDerWaalsContact OE1-CD2 3.22Å; E779-H791 IonicContact OE1-CG 3.22Å; H791-E794 IonicContact CE1-OE2 2.62Å
792	I	80.9	Confident	83.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.269	C	S	.	.			trans	-114.5	-44.2	-173.8	-47.5	-167.8	0	0	0	111.5	L742 Y743 I744 E779 L782 Q783 L786 T788 Q790	L742-I792 WeakPolarHBondContact CA-O 3.12Å; Y743-I792 PolarHBondContact N-O 2.9Å; Y743-I792 VanDerWaalsContact N-O 3.12Å; I744-I792 HydrophobicContact CD1-CB 4.3Å; I744-I792 HydrophobicContact CD1-CD1 3.87Å; I744-I792 HydrophobicContact CD1-CG1 3.69Å; I744-I792 HydrophobicContact CD1-CG2 4.06Å; I744-I792 HydrophobicContact CG1-CG1 4.49Å; I744-I792 HydrophobicContact CG1-CG2 4.33Å; E779-I792 HydrophobicContact CG-CB 4.26Å; E779-I792 HydrophobicContact CG-CG1 4.32Å; E779-I792 PolarHBondContact OE1-N 2.92Å; L782-I792 HydrophobicContact CB-CD1 3.78Å; L782-I792 HydrophobicContact CD1-CG2 4.47Å; Q783-I792 HydrophobicContact CB-CD1 4.3Å; Q783-I792 HydrophobicContact CG-CD1 3.55Å; Q783-I792 HydrophobicContact CG-CG1 3.95Å; L786-I792 HydrophobicContact CD1-CD1 4.34Å; T788-I792 HydrophobicContact CG2-CD1 4.06Å; Q790-I792 WeakPolarHBondContact O-CG1 3.5Å
793	L	84.4	Confident	83.5	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.5	-165.3	-65.9	175.6	0	0	0	111.3	I740 Q741 L742 L754 W775 L778 L782	I740-L793 HydrophobicContact CG2-CB 4.03Å; I740-L793 HydrophobicContact CG2-CD2 3.94Å; Q741-L793 WeakPolarHBondContact O-CA 3.29Å; L742-L793 HydrophobicContact CD2-CD2 3.47Å; L742-L793 VanDerWaalsContact CD2-CD2 3.47Å; L742-L793 HydrophobicContact CG-CD2 4.1Å; L754-L793 HydrophobicContact CD2-CD2 4.31Å; W775-L793 HydrophobicContact CE3-CD1 4Å; W775-L793 HydrophobicContact CZ3-CD1 4.11Å; L778-L793 HydrophobicContact CD2-CD1 3.84Å; L778-L793 HydrophobicContact CG-CD1 3.97Å; L782-L793 HydrophobicContact CD1-CD1 3.67Å; L782-L793 HydrophobicContact CD1-CG 4.33Å
794	E	84.7	Confident	83.8	Confident	42 Å²	42	52.7 Å²	52.7	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.1	171.2	-171.8	177.3	159.4	0	0	111.2	I740 Q741 Y743 H791 I796 P934	I740-E794 CarbonylContact C-O 3.56Å; I740-E794 WeakPolarHBondContact CA-O 3.45Å; Q741-E794 HydrophobicContact CB-CB 4.35Å; Q741-E794 PolarHBondContact N-O 2.83Å; Q741-E794 PolarHBondContact O-N 2.91Å; Y743-E794 HydrophobicContact CE2-CB 3.7Å; Y743-E794 WeakPolarHBondContact CE2-OE2 3.46Å; Y743-E794 PolarHBondContact OH-OE2 2.68Å; H791-E794 IonicContact CE1-OE2 2.62Å; E794-I796 PolarHBondContact O-N 3.31Å; E794-P934 HydrophobicContact CG-CB 3.49Å; E794-P934 VanDerWaalsContact CG-CB 3.49Å; E794-P934 HydrophobicContact CG-CG 4.42Å; E794-P934 WeakPolarHBondContact OE1-CB 3.2Å
795	P	82.8	Confident	84.1	Confident	14 Å²	14	46 Å²	46	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	111.7	179.3	29	-33	0	0	0	110.3	W771 W775 P934	W771-P795 HydrophobicContact CH2-CB 3.64Å; W771-P795 HydrophobicContact CZ2-CB 4.1Å; W771-P795 HydrophobicContact CZ3-CB 3.99Å; W775-P795 HydrophobicContact CB-CG 4.25Å; W775-P795 HydrophobicContact CG-CB 4.22Å; W775-P795 HydrophobicContact CG-CG 4.4Å; P795-P934 HydrophobicContact CG-CG 4.4Å; P795-P934 WeakPolarHBondContact O-CB 3.48Å; P795-P934 WeakPolarHBondContact O-CG 3.27Å
796	I	85	Confident	84.6	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-53.9	-177.8	-44	179.6	0	0	0	110.3	I739 Q741 E794 I808 R935	I739-I796 HydrophobicContact CG2-CD1 3.74Å; I739-I796 HydrophobicContact CG2-CG1 4.4Å; I739-I796 PolarHBondContact O-N 2.85Å; Q741-I796 HydrophobicContact CG-CD1 3.46Å; Q741-I796 VanDerWaalsContact CG-CD1 3.46Å; Q741-I796 HydrophobicContact CG-CG1 3.61Å; E794-I796 PolarHBondContact O-N 3.31Å; I796-I808 HydrophobicContact CD1-CG2 4.05Å; I796-R935 WeakPolarHBondContact O-CA 3.33Å
797	S	82.2	Confident	85.1	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	160.5	-168	53.8	0	0	0	0	112.4	I739 Y799	I739-S797 PolarHBondContact N-O 3.48Å; I739-S797 PolarHBondContact O-N 3.27Å; S797-Y799 WeakPolarHBondContact OG-CE2 3.45Å
798	I	83.3	Confident	85.5	Confident	18 Å²	18	35.1 Å²	35.1	9%	0.092	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.3	169.2	178.7	170.9	0	0	0	107.2	C732 F736 L737 E738 W771 R935	C732-I798 HydrophobicContact CB-CD1 4.15Å; C732-I798 HydrophobicContact CB-CG1 4.25Å; F736-I798 HydrophobicContact CB-CD1 3.87Å; F736-I798 HydrophobicContact CB-CG1 3.89Å; F736-I798 HydrophobicContact CD1-CD1 4.43Å; F736-I798 HydrophobicContact CD2-CD1 4.08Å; F736-I798 HydrophobicContact CG-CD1 3.89Å; F736-I798 HydrophobicContact CG-CG1 4.39Å; L737-I798 WeakPolarHBondContact O-CA 3.49Å; E738-I798 HydrophobicContact CG-CD1 4.13Å; E738-I798 HydrophobicContact CG-CG1 4.31Å; W771-I798 HydrophobicContact CD2-CG2 4.23Å; W771-I798 HydrophobicContact CE3-CG2 4.4Å; W771-I798 HydrophobicContact CH2-CB 4.23Å; W771-I798 HydrophobicContact CH2-CG2 4.09Å; W771-I798 HydrophobicContact CZ2-CB 3.74Å; W771-I798 HydrophobicContact CZ2-CG2 3.92Å; W771-I798 HydrophobicContact CZ3-CG2 4.34Å; I798-R935 PolarHBondContact O-NH1 3.49Å
799	Y	87.1	Confident	85.9	Confident	9 Å²	9	35.1 Å²	35.1	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.3	-177	-60.9	-70.5	0	0	0	111.7	F736 L737 I739 S797 Y803 P805 I808 E939	F736-Y799 CarbonylContact C-O 3.48Å; F736-Y799 WeakPolarHBondContact CA-O 3.39Å; L737-Y799 PolarHBondContact N-O 3.47Å; L737-Y799 PolarHBondContact O-N 3.01Å; I739-Y799 HydrophobicContact CD1-CD2 4.26Å; I739-Y799 HydrophobicContact CD1-CE2 4.03Å; S797-Y799 WeakPolarHBondContact OG-CE2 3.45Å; Y799-Y803 HydrophobicContact CD1-CD1 4.39Å; Y799-Y803 HydrophobicContact CE1-CE1 4.3Å; Y799-P805 HydrophobicContact CD1-CB 4.33Å; Y799-P805 HydrophobicContact CD1-CG 3.73Å; Y799-P805 HydrophobicContact CD2-CB 4.28Å; Y799-P805 HydrophobicContact CD2-CG 3.65Å; Y799-P805 HydrophobicContact CE1-CB 3.87Å; Y799-P805 HydrophobicContact CE1-CG 3.8Å; Y799-P805 HydrophobicContact CE2-CB 3.8Å; Y799-P805 HydrophobicContact CE2-CG 3.7Å; Y799-P805 HydrophobicContact CG-CG 3.66Å; Y799-I808 HydrophobicContact CE2-CD1 3.96Å; Y799-E939 PolarHBondContact OH-OE2 2.65Å
800	C	86.6	Confident	86.4	Confident	13 Å²	13	27.7 Å²	27.7	9%	0.088	13%	0.132	C	C	.	.			trans	-151.9	173	173.4	58.6	0	0	0	0	110.8	T710 C732 D735	T710-C800 WeakPolarHBondContact OG1-CA 3.47Å; C732-C800 WeakPolarHBondContact CA-SG 3.39Å; C732-C800 HydrophobicContact CB-CB 3.63Å; C732-C800 WeakPolarHBondContact CB-SG 3.48Å; C732-C800 WeakPolarHBondContact SG-CB 3.49Å; C732-C800 PolarHBondContact SG-N 2.93Å; C732-C800 CovalentContact SG-SG 2.04Å; C732-C800 PolarHBondContact SG-SG 3.5Å; D735-C800 WeakPolarHBondContact O-CB 3.18Å
801	G	85.9	Confident	86.4	Confident	1 Å²	1	24 Å²	24	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-140.9	-178.5	0	0	0	0	0	114	F708 A709 T710 Y712	F708-G801 WeakPolarHBondContact CD1-O 3.38Å; A709-G801 WeakPolarHBondContact CA-O 3.34Å; T710-G801 PolarHBondContact N-O 3Å; T710-G801 WeakPolarHBondContact O-CA 3.26Å; T710-G801 PolarHBondContact OG1-N 3.29Å; T710-G801 PolarHBondContact OG1-O 2.86Å; Y712-G801 VanDerWaalsContact CD1-CA 3.5Å
802	K	88.2	Confident	86.4	Confident	140 Å²	140	21.5 Å²	21.5	61%	0.609	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	10.5	-171.2	-58.7	-178.4	-178.9	175.5	0	114.3	M919	K802-M919 HydrophobicContact CB-CE 4.37Å
803	Y	88.3	Confident	86.3	Confident	41 Å²	41	25.9 Å²	25.9	16%	0.161	14%	0.135	C	C	.	.			trans	-77.7	127.3	175.8	177.3	-97.1	0	0	0	109.4	F708 Y799 P805 K918 C921 E939	F708-Y803 WeakPolarHBondContact CD1-O 3.38Å; Y799-Y803 HydrophobicContact CD1-CD1 4.39Å; Y799-Y803 HydrophobicContact CE1-CE1 4.3Å; Y803-P805 HydrophobicContact CD1-CG 4.45Å; Y803-P805 WeakPolarHBondContact O-CD 3.32Å; Y803-K918 WeakPolarHBondContact CE2-O 3.34Å; Y803-C921 PolarHBondContact OH-SG 3.39Å; Y803-E939 VanDerWaalsContact OH-CG 3.27Å; Y803-E939 WeakPolarHBondContact OH-CG 3.21Å; Y803-E939 PolarHBondContact OH-OE1 3.33Å
804	I	91.7	Very high	86.2	Confident	26 Å²	26	25.9 Å²	25.9	13%	0.133	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-93.6	111.9	176.3	-56.5	175.8	0	0	0	108.4	F705 F708 M919 N920 C921	F705-I804 HydrophobicContact CB-CG2 3.91Å; F708-I804 HydrophobicContact CB-CB 4.49Å; F708-I804 HydrophobicContact CB-CG1 4.04Å; I804-M919 PolarHBondContact N-O 2.97Å; I804-N920 HydrophobicContact CB-CB 4.26Å; I804-N920 HydrophobicContact CD1-CB 4.33Å; I804-C921 PolarHBondContact O-N 3.22Å
805	P	92	Very high	86.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-63.8	147.5	-176.8	-21.8	33.9	0	0	0	113	F705 Y799 Y803	F705-P805 HydrophobicContact CD2-CB 3.88Å; F705-P805 HydrophobicContact CD2-CG 4.03Å; F705-P805 HydrophobicContact CE2-CB 4.32Å; F705-P805 HydrophobicContact CE2-CG 4.34Å; F705-P805 HydrophobicContact CG-CG 4.35Å; Y799-P805 HydrophobicContact CD1-CB 4.33Å; Y799-P805 HydrophobicContact CD1-CG 3.73Å; Y799-P805 HydrophobicContact CD2-CB 4.28Å; Y799-P805 HydrophobicContact CD2-CG 3.65Å; Y799-P805 HydrophobicContact CE1-CB 3.87Å; Y799-P805 HydrophobicContact CE1-CG 3.8Å; Y799-P805 HydrophobicContact CE2-CB 3.8Å; Y799-P805 HydrophobicContact CE2-CG 3.7Å; Y799-P805 HydrophobicContact CG-CG 3.66Å; Y803-P805 HydrophobicContact CD1-CG 4.45Å; Y803-P805 WeakPolarHBondContact O-CD 3.32Å
806	G	91.1	Very high	86.5	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-76.6	168.1	173.7	0	0	0	0	0	113.4	I808 C921 R927 E939	G806-I808 WeakPolarHBondContact O-CG1 3.33Å; G806-I808 PolarHBondContact O-N 2.95Å; G806-C921 WeakPolarHBondContact CA-O 3.49Å; G806-R927 PolarHBondContact O-NH2 2.96Å; G806-E939 PolarHBondContact N-OE1 2.94Å
807	P	92.2	Very high	86.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-49.5	128.7	-176.6	-29.7	36.2	0	0	0	113	L703 V704 C921 S922 R927 H962 A964	L703-P807 WeakPolarHBondContact O-CA 3.42Å; V704-P807 HydrophobicContact CG2-CB 4.24Å; V704-P807 HydrophobicContact CG2-CG 4.34Å; P807-C921 WeakPolarHBondContact CD-O 3.33Å; P807-S922 WeakPolarHBondContact CD-O 3.3Å; P807-S922 WeakPolarHBondContact CG-O 3.44Å; P807-R927 PolarHBondContact O-NH1 2.99Å; P807-H962 HydrophobicContact CB-CB 4.03Å; P807-H962 WeakPolarHBondContact O-CB 3.48Å; P807-A964 HydrophobicContact CG-CB 4.01Å
808	I	91.9	Very high	87.2	Confident	4 Å²	4	24 Å²	24	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.3	176.9	-57.2	177.4	0	0	0	107.1	R702 L703 F705 I739 I796 Y799 G806	R702-I808 CarbonylContact C-O 3.39Å; R702-I808 VanDerWaalsContact CA-O 3.29Å; R702-I808 WeakPolarHBondContact CA-O 3.49Å; L703-I808 HydrophobicContact CB-CB 4.44Å; L703-I808 PolarHBondContact N-O 3.23Å; L703-I808 PolarHBondContact O-N 2.03Å; F705-I808 HydrophobicContact CE2-CD1 4.19Å; I739-I808 HydrophobicContact CD1-CD1 3.58Å; I796-I808 HydrophobicContact CD1-CG2 4.05Å; Y799-I808 HydrophobicContact CE2-CD1 3.96Å; G806-I808 WeakPolarHBondContact O-CG1 3.33Å; G806-I808 PolarHBondContact O-N 2.95Å
809	V	88.9	Confident	87.7	Confident	22 Å²	22	23.1 Å²	23.1	13%	0.133	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.2	173.6	-175.3	0	0	0	0	108.8	I701 R702 L839 N891	I701-V809 CarbonylContact O-C 3.51Å; I701-V809 WeakPolarHBondContact O-CA 3.47Å; R702-V809 HydrophobicContact CB-CG2 4Å; R702-V809 HydrophobicContact CG-CG2 4.02Å; V809-L839 HydrophobicContact CG1-CD1 4.29Å; V809-N891 WeakPolarHBondContact CG2-OD1 3.37Å
810	S	88.2	Confident	87.8	Confident	5 Å²	5	22.9 Å²	22.9	4%	0.035	12%	0.122	C	C	.	.			trans	-62.3	153.9	175.9	76.1	0	0	0	0	111.2	I701 Q741	I701-S810 PolarHBondContact N-OG 3.24Å; I701-S810 PolarHBondContact O-N 2.92Å; Q741-S810 VanDerWaalsContact OE1-CA 3.24Å
811	D	80.8	Confident	88.1	Confident	48 Å²	48	22.3 Å²	22.3	26%	0.257	12%	0.118	S	C	.	.			trans	-54.2	141.5	159.1	-167.7	-87.5	0	0	0	108.9	Y743 T813 A814	Y743-D811 HydrophobicContact CE1-CB 4.32Å; D811-T813 PolarHBondContact O-N 3.1Å; D811-T813 WeakPolarHBondContact OD1-CB 3.28Å; D811-T813 PolarHBondContact OD1-N 3.47Å; D811-T813 PolarHBondContact OD1-OG1 2.76Å; D811-A814 WeakPolarHBondContact O-CB 3.31Å; D811-A814 PolarHBondContact O-N 2.78Å; D811-A814 VanDerWaalsContact O-N 3.12Å
812	P	77.6	Confident	88.2	Confident	43 Å²	43	22.5 Å²	22.5	28%	0.279	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.7	174.5	-26	35.7	0	0	0	113.2	A814 K841	P812-A814 VanDerWaalsContact C-N 3.35Å; P812-K841 VanDerWaalsContact C-CE 3.42Å; P812-K841 HydrophobicContact CB-CD 3.82Å; P812-K841 HydrophobicContact CB-CG 4.19Å; P812-K841 WeakPolarHBondContact O-CE 3.19Å; P812-K841 PolarHBondContact O-NZ 2.7Å
813	T	78.9	Confident	88.2	Confident	93 Å²	93	15.9 Å²	15.9	57%	0.571	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.7	179.4	63.8	0	0	0	0	114.4	Y743 D811	Y743-T813 WeakPolarHBondContact CE1-OG1 3.4Å; D811-T813 PolarHBondContact O-N 3.1Å; D811-T813 WeakPolarHBondContact OD1-CB 3.28Å; D811-T813 PolarHBondContact OD1-N 3.47Å; D811-T813 PolarHBondContact OD1-OG1 2.76Å
814	A	83.6	Confident	87.8	Confident	6 Å²	6	14.5 Å²	14.5	5%	0.05	9%	0.088	C	C	.	.			trans	-72.9	134.3	175.6	0	0	0	0	0	111.9	Q741 L742 Y743 D811 P812	Q741-A814 HydrophobicContact CB-CB 4.18Å; L742-A814 CarbonylContact O-C 3.57Å; L742-A814 VanDerWaalsContact O-CA 3.27Å; L742-A814 WeakPolarHBondContact O-CA 3.41Å; Y743-A814 HydrophobicContact CD1-CB 4.44Å; Y743-A814 HydrophobicContact CE1-CB 4.07Å; D811-A814 WeakPolarHBondContact O-CB 3.31Å; D811-A814 PolarHBondContact O-N 2.78Å; D811-A814 VanDerWaalsContact O-N 3.12Å; P812-A814 VanDerWaalsContact C-N 3.35Å
815	T	85	Confident	87.1	Confident	32 Å²	32	20.7 Å²	20.7	20%	0.196	12%	0.117	C	C	.	.	S	Bend	trans	-83.9	-23.2	177.8	57.3	0	0	0	0	112.9	T690 P691 L742 I744	T690-T815 PolarHBondContact OG1-O 3.35Å; P691-T815 WeakPolarHBondContact CD-O 3.46Å; L742-T815 PolarHBondContact O-N 2.79Å; L742-T815 PolarHBondContact O-OG1 3.31Å; L742-T815 VanDerWaalsContact O-OG1 3.11Å; I744-T815 PolarHBondContact N-OG1 3.44Å; I744-T815 PolarHBondContact O-OG1 3.25Å
816	A	88.6	Confident	86.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	161.9	178.1	0	0	0	0	0	112.1	L688 I689 L742 L746	L688-A816 HydrophobicContact CD1-CB 4.16Å; I689-A816 CarbonylContact O-C 3.56Å; I689-A816 WeakPolarHBondContact O-CA 3.46Å; I689-A816 WeakPolarHBondContact O-CB 3.26Å; L742-A816 HydrophobicContact CB-CB 4.12Å; L742-A816 HydrophobicContact CD1-CB 3.89Å; L742-A816 PolarHBondContact N-O 2.98Å; L746-A816 HydrophobicContact CD1-CB 3.62Å; L746-A816 HydrophobicContact CG-CB 4.39Å
817	I	91.5	Very high	86	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.7	158.4	-59.3	178.9	0	0	0	108.3	I689 I701 L703 I739 M819	I689-I817 PolarHBondContact N-O 3.17Å; I689-I817 PolarHBondContact O-N 3.49Å; I701-I817 HydrophobicContact CB-CD1 3.84Å; I701-I817 HydrophobicContact CB-CG1 4.16Å; I701-I817 HydrophobicContact CD1-CB 4.44Å; I701-I817 HydrophobicContact CD1-CG1 4.02Å; I701-I817 HydrophobicContact CG2-CD1 3.72Å; I701-I817 HydrophobicContact CG2-CG1 4.24Å; L703-I817 HydrophobicContact CD1-CD1 3.93Å; L703-I817 HydrophobicContact CD1-CG2 4.11Å; L703-I817 HydrophobicContact CD2-CD1 4.48Å; L703-I817 HydrophobicContact CG-CD1 3.96Å; I739-I817 HydrophobicContact CG2-CG2 3.6Å; I817-M819 HydrophobicContact CG2-CG 4.03Å
818	L	90.8	Very high	85.7	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130	167.9	-175.3	71.6	0	0	0	108.6	L686 Y687 L688 I740 L742 L754 I758	L686-L818 HydrophobicContact CD1-CD1 3.83Å; L686-L818 HydrophobicContact CD1-CG 4.27Å; L686-L818 HydrophobicContact CD2-CD1 4.07Å; L686-L818 HydrophobicContact CG-CD1 3.83Å; Y687-L818 WeakPolarHBondContact O-CA 3.49Å; L688-L818 HydrophobicContact CD1-CD1 3.98Å; I740-L818 HydrophobicContact CB-CB 4.4Å; I740-L818 PolarHBondContact N-O 3.2Å; I740-L818 PolarHBondContact O-N 2.79Å; L742-L818 HydrophobicContact CD1-CB 3.86Å; L754-L818 HydrophobicContact CD2-CD2 4.43Å; I758-L818 HydrophobicContact CD1-CD2 3.84Å
819	M	93.2	Very high	85.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.9	170.5	-48.8	172.4	48.1	0	0	110.1	Y687 I689 L703 F705 L737 E738 I739 I817 L834	Y687-M819 HydrophobicContact CD2-CB 4.3Å; Y687-M819 PolarHBondContact N-O 3.11Å; Y687-M819 PolarHBondContact O-N 3.25Å; I689-M819 HydrophobicContact CD1-SD 4.19Å; L703-M819 HydrophobicContact CD1-CG 4.42Å; L703-M819 HydrophobicContact CD1-SD 3.63Å; F705-M819 HydrophobicContact CE1-CE 4.36Å; F705-M819 HydrophobicContact CZ-CE 3.96Å; L737-M819 HydrophobicContact CD1-CB 4.4Å; L737-M819 HydrophobicContact CD1-CE 3.85Å; L737-M819 HydrophobicContact CD2-CE 3.68Å; L737-M819 HydrophobicContact CG-CE 4.07Å; E738-M819 VanDerWaalsContact O-CA 3.29Å; E738-M819 WeakPolarHBondContact O-CA 2.97Å; I739-M819 HydrophobicContact CD1-CE 4.37Å; I739-M819 HydrophobicContact CG1-CE 4.4Å; I739-M819 HydrophobicContact CG1-CG 4.3Å; I739-M819 HydrophobicContact CG2-CG 4.24Å; I817-M819 HydrophobicContact CG2-CG 4.03Å; M819-L834 HydrophobicContact CE-CD2 3.46Å; M819-L834 VanDerWaalsContact CE-CD2 3.46Å; M819-L834 HydrophobicContact SD-CD2 3.92Å
820	R	89.8	Confident	85.6	Confident	5 Å²	5	38 Å²	38	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.7	175.4	-179.5	178.1	173.8	-128.3	4.8	110.5	D684 C685 L686 L737 E738 I758	D684-R820 IonicContact OD1-CZ 3.81Å; D684-R820 IonicContact OD1-NE 3.49Å; D684-R820 PolarHBondContact OD1-NE 3Å; D684-R820 IonicContact OD1-NH2 3.85Å; D684-R820 IonicContact OD2-CZ 3.66Å; D684-R820 IonicContact OD2-NE 3.68Å; D684-R820 PolarHBondContact OD2-NE 2.02Å; D684-R820 IonicContact OD2-NH2 3.64Å; D684-R820 PolarHBondContact OD2-NH2 3.41Å; C685-R820 WeakPolarHBondContact O-CA 3.38Å; L686-R820 HydrophobicContact CD1-CB 4.09Å; L686-R820 HydrophobicContact CD1-CG 4.4Å; L737-R820 WeakPolarHBondContact CA-O 3.19Å; E738-R820 HydrophobicContact CB-CB 4.41Å; E738-R820 PolarHBondContact N-O 2.81Å; E738-R820 PolarHBondContact O-N 3.03Å; E738-R820 WeakPolarHBondContact OE2-CD 3.4Å; E738-R820 IonicContact OE2-CZ 3.47Å; E738-R820 IonicContact OE2-NH1 2.68Å; E738-R820 PolarHBondContact OE2-NH1 2.96Å; I758-R820 VanDerWaalsContact CG2-CD 3.49Å
821	F	91.7	Very high	85.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.2	169.8	175.7	-114.8	0	0	0	109.8	P673 Y679 D684 C685 Y687 T710 F736 L737 F832	P673-F821 HydrophobicContact CG-CD1 4.13Å; P673-F821 HydrophobicContact CG-CE1 4.31Å; Y679-F821 HydrophobicContact CD1-CE1 4.08Å; Y679-F821 HydrophobicContact CD1-CE2 4.49Å; Y679-F821 AromaticContact CD1-CZ 3.57Å; Y679-F821 HydrophobicContact CD1-CZ 3.57Å; Y679-F821 HydrophobicContact CD2-CE1 4.08Å; Y679-F821 AromaticContact CD2-CZ 3.75Å; Y679-F821 HydrophobicContact CD2-CZ 3.75Å; Y679-F821 HydrophobicContact CE1-CE2 4.36Å; Y679-F821 AromaticContact CE1-CZ 3.73Å; Y679-F821 HydrophobicContact CE1-CZ 3.73Å; Y679-F821 AromaticContact CE2-CZ 3.92Å; Y679-F821 HydrophobicContact CE2-CZ 3.92Å; Y679-F821 AromaticContact CG-CE1 3.79Å; Y679-F821 HydrophobicContact CG-CE1 3.79Å; Y679-F821 AromaticContact CG-CZ 3.6Å; Y679-F821 HydrophobicContact CG-CZ 3.6Å; Y679-F821 AromaticContact CZ-CZ 3.92Å; D684-F821 WeakPolarHBondContact CA-O 3.16Å; C685-F821 HydrophobicContact CB-CB 4.41Å; C685-F821 PolarHBondContact N-O 3.42Å; C685-F821 PolarHBondContact O-N 3.47Å; Y687-F821 HydrophobicContact CE2-CB 4.02Å; T710-F821 HydrophobicContact CG2-CE2 3.89Å; F736-F821 WeakPolarHBondContact O-CD2 3.47Å; L737-F821 HydrophobicContact CD1-CB 4Å; F821-F832 HydrophobicContact CB-CE1 3.94Å; F821-F832 HydrophobicContact CB-CZ 4.26Å; F821-F832 HydrophobicContact CD2-CD1 4.38Å; F821-F832 AromaticContact CD2-CE1 3.75Å; F821-F832 HydrophobicContact CD2-CE1 3.75Å; F821-F832 HydrophobicContact CE2-CE1 4.49Å; F821-F832 AromaticContact CG-CE1 3.84Å; F821-F832 HydrophobicContact CG-CE1 3.84Å
822	H	88.1	Confident	86.3	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.2	173.3	-175	67.7	0	0	0	110.6	S683 D684 D735 F736	S683-H822 WeakPolarHBondContact O-CA 3.4Å; S683-H822 PolarHBondContact O-ND1 2.78Å; D684-H822 IonicContact OD2-ND1 2.94Å; D735-H822 VanDerWaalsContact CA-O 3.31Å; D735-H822 WeakPolarHBondContact CA-O 3.26Å; F736-H822 HydrophobicContact CD2-CB 3.93Å; F736-H822 HydrophobicContact CE1-CB 4.13Å; F736-H822 AromaticContact CE1-CD2 3.67Å; F736-H822 HydrophobicContact CE2-CB 3.49Å; F736-H822 VanDerWaalsContact CE2-CB 3.49Å; F736-H822 HydrophobicContact CG-CB 4.44Å; F736-H822 HydrophobicContact CZ-CB 3.6Å; F736-H822 AromaticContact CZ-CD2 3.73Å; F736-H822 AromaticContact CZ-CG 3.85Å; F736-H822 PolarHBondContact N-O 3.15Å; F736-H822 PolarHBondContact O-N 3.47Å
823	S	88.3	Confident	87	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.			trans	-120.3	141	166.2	61.5	0	0	0	0	111.4	P680 N682 S683 D735	P680-S823 PolarHBondContact O-OG 3.09Å; N682-S823 WeakPolarHBondContact CA-O 3.35Å; N682-S823 PolarHBondContact N-O 3.05Å; N682-S823 PolarHBondContact N-OG 3.2Å; S683-S823 VanDerWaalsContact CB-OG 3.31Å; S683-S823 WeakPolarHBondContact CB-OG 3.41Å; S683-S823 PolarHBondContact N-OG 3.07Å; S683-S823 PolarHBondContact O-N 3.16Å; D735-S823 VanDerWaalsContact OD1-CA 3.23Å; D735-S823 WeakPolarHBondContact OD1-CA 3.14Å; D735-S823 WeakPolarHBondContact OD1-CB 3.28Å
824	G	80.2	Confident	87.7	Confident	12 Å²	12	29.4 Å²	29.4	12%	0.124	16%	0.157	C	C	.	.			trans	-71.4	-179.2	177.7	0	0	0	0	0	114.4	P681 N682 Q734 D735 T827	P681-G824 WeakPolarHBondContact CA-O 2.76Å; N682-G824 PolarHBondContact N-O 3.4Å; Q734-G824 PolarHBondContact O-N 3.27Å; D735-G824 PolarHBondContact OD1-N 2.85Å; G824-T827 WeakPolarHBondContact CA-OG1 3.23Å; G824-T827 PolarHBondContact N-OG1 3.04Å; G824-T827 PolarHBondContact O-OG1 3.1Å
825	Q	77.7	Confident	88	Confident	157 Å²	157	29.5 Å²	29.5	73%	0.734	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	134.7	172.4	-67	179.6	-6.2	0	0	110.4	T827	Q825-T827 PolarHBondContact O-N 3.18Å
826	N	80.3	Confident	88.3	Confident	156 Å²	156	28.7 Å²	28.7	83%	0.834	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	19.8	-178.7	-57.2	-15.7	0	0	0	115.6
827	T	79.3	Confident	88.2	Confident	8 Å²	8	29.3 Å²	29.3	5%	0.049	15%	0.153	C	C	.	.			trans	-100.2	142.8	172.1	56.8	0	0	0	0	111.2	P681 T711 Q734 D735 G824 Q825	P681-T827 VanDerWaalsContact CA-O 3.3Å; P681-T827 WeakPolarHBondContact CA-O 3.39Å; P681-T827 WeakPolarHBondContact CB-O 3.27Å; T711-T827 WeakPolarHBondContact OG1-CB 3.25Å; T711-T827 VanDerWaalsContact OG1-CG2 3.26Å; T711-T827 WeakPolarHBondContact OG1-CG2 3.37Å; Q734-T827 HydrophobicContact CB-CG2 4.34Å; D735-T827 WeakPolarHBondContact OD1-CB 3.34Å; D735-T827 PolarHBondContact OD1-OG1 2.75Å; D735-T827 WeakPolarHBondContact OD2-CB 3.34Å; G824-T827 WeakPolarHBondContact CA-OG1 3.23Å; G824-T827 PolarHBondContact N-OG1 3.04Å; G824-T827 PolarHBondContact O-OG1 3.1Å; Q825-T827 PolarHBondContact O-N 3.18Å
828	T	85.6	Confident	87.9	Confident	69 Å²	69	29.4 Å²	29.4	42%	0.423	15%	0.154	S	C	.	.			trans	-158.5	137	179.4	-170	0	0	0	0	109.8	N678 Y679 T711	N678-T828 WeakPolarHBondContact CB-OG1 3.47Å; Y679-T828 PolarHBondContact O-OG1 3.06Å; T711-T828 WeakPolarHBondContact CG2-O 3.44Å
829	S	89.2	Confident	87.3	Confident	33 Å²	33	29.9 Å²	29.9	23%	0.231	16%	0.156	C	C	.	.			trans	-160	177.1	175.4	-152.3	0	0	0	0	109.8	N678 Y679 A709 G831	N678-S829 CarbonylContact C-O 3.57Å; N678-S829 WeakPolarHBondContact CA-O 3.02Å; N678-S829 VanDerWaalsContact CB-O 3.31Å; N678-S829 WeakPolarHBondContact CB-O 3.41Å; Y679-S829 WeakPolarHBondContact CD1-O 3.36Å; Y679-S829 WeakPolarHBondContact CE1-O 3.31Å; Y679-S829 VanDerWaalsContact CZ-N 3.32Å; Y679-S829 PolarHBondContact N-O 2.71Å; Y679-S829 WeakPolarHBondContact OH-CB 3.27Å; Y679-S829 PolarHBondContact OH-N 2.67Å; A709-S829 WeakPolarHBondContact O-CB 3.04Å; S829-G831 PolarHBondContact O-N 3.44Å
830	K	88.6	Confident	86.2	Confident	123 Å²	123	32.8 Å²	32.8	54%	0.535	18%	0.175	S	C	.	.			trans	-62.2	-28.9	-176.4	-68.4	-164.6	172.9	-164.5	0	113.8	S672 Y675 N678 A709	S672-K830 PolarHBondContact OG-O 3.48Å; Y675-K830 VanDerWaalsContact CD2-O 3.29Å; Y675-K830 WeakPolarHBondContact CD2-O 3.31Å; N678-K830 PolarHBondContact OD1-N 3.15Å; A709-K830 HydrophobicContact CB-CB 4.45Å
831	G	91.2	Very high	84.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.5	-136.7	-177.4	0	0	0	0	0	112.5	S672 F708 A709 S829	S672-G831 VanDerWaalsContact OG-CA 3.29Å; S672-G831 WeakPolarHBondContact OG-CA 3.09Å; F708-G831 CarbonylContact C-O 3.56Å; A709-G831 PolarHBondContact N-O 3.03Å; A709-G831 VanDerWaalsContact O-CA 3.23Å; A709-G831 WeakPolarHBondContact O-CA 3.49Å; A709-G831 PolarHBondContact O-N 3.23Å; S829-G831 PolarHBondContact O-N 3.44Å
832	F	93.6	Very high	83	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.4	-169.2	64	-96.1	0	0	0	113.6	N671 S672 Y687 F705 T707 F708 L737 F821 L834	N671-F832 CarbonylContact C-O 3.59Å; N671-F832 WeakPolarHBondContact CA-O 3.41Å; N671-F832 WeakPolarHBondContact CB-O 3.38Å; S672-F832 PolarHBondContact N-O 3.27Å; S672-F832 PolarHBondContact OG-N 2.84Å; S672-F832 PolarHBondContact OG-O 3.04Å; Y687-F832 HydrophobicContact CE2-CZ 4.14Å; Y687-F832 AromaticContact CZ-CZ 3.96Å; F705-F832 HydrophobicContact CE1-CD2 4.24Å; T707-F832 VanDerWaalsContact O-CA 3.23Å; T707-F832 WeakPolarHBondContact O-CA 3.06Å; T707-F832 VanDerWaalsContact O-CB 3.26Å; T707-F832 WeakPolarHBondContact O-CB 3.39Å; F708-F832 HydrophobicContact CD2-CB 3.71Å; F708-F832 HydrophobicContact CD2-CG 4.38Å; F708-F832 HydrophobicContact CE2-CB 4.32Å; F708-F832 HydrophobicContact CE2-CD1 4.38Å; F708-F832 HydrophobicContact CG-CB 4.45Å; L737-F832 HydrophobicContact CD1-CE1 3.88Å; L737-F832 HydrophobicContact CD1-CZ 3.87Å; L737-F832 HydrophobicContact CD2-CD1 4.17Å; L737-F832 HydrophobicContact CD2-CE1 4.06Å; L737-F832 HydrophobicContact CD2-CE2 4.4Å; L737-F832 HydrophobicContact CD2-CG 4.41Å; L737-F832 HydrophobicContact CD2-CZ 4.18Å; L737-F832 HydrophobicContact CG-CE1 4.48Å; F821-F832 HydrophobicContact CB-CE1 3.94Å; F821-F832 HydrophobicContact CB-CZ 4.26Å; F821-F832 HydrophobicContact CD2-CD1 4.38Å; F821-F832 AromaticContact CD2-CE1 3.75Å; F821-F832 HydrophobicContact CD2-CE1 3.75Å; F821-F832 HydrophobicContact CE2-CE1 4.49Å; F821-F832 AromaticContact CG-CE1 3.84Å; F821-F832 HydrophobicContact CG-CE1 3.84Å; F832-L834 HydrophobicContact CD2-CD2 4.22Å; F832-L834 HydrophobicContact CE2-CD2 4.04Å
833	T	93	Very high	80.8	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.043	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.5	166.4	55.5	0	0	0	0	109.7	T670 N671 Y675 E706 T707	T670-T833 WeakPolarHBondContact O-CA 3.39Å; N671-T833 HydrophobicContact CB-CG2 4.06Å; Y675-T833 HydrophobicContact CD1-CG2 3.63Å; Y675-T833 HydrophobicContact CD2-CG2 3.89Å; Y675-T833 HydrophobicContact CE1-CG2 3.36Å; Y675-T833 HydrophobicContact CE2-CG2 3.63Å; Y675-T833 HydrophobicContact CG-CG2 3.95Å; E706-T833 PolarHBondContact N-O 2.91Å; T707-T833 PolarHBondContact N-O 2.84Å; T707-T833 PolarHBondContact O-N 2.87Å; T707-T833 VanDerWaalsContact O-N 3.11Å; T707-T833 PolarHBondContact OG1-N 3.38Å; T707-T833 VanDerWaalsContact OG1-N 3.12Å; T707-T833 PolarHBondContact OG1-OG1 3.12Å
834	L	92.5	Very high	78.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.7	177.4	72	91.3	0	0	0	111.4	W669 T670 L703 V704 F705 M819 F832	W669-L834 CarbonylContact C-O 3.48Å; W669-L834 WeakPolarHBondContact CA-O 3.17Å; W669-L834 WeakPolarHBondContact CB-O 3.49Å; T670-L834 HydrophobicContact CG2-CD1 3.81Å; T670-L834 HydrophobicContact CG2-CD2 4.1Å; T670-L834 HydrophobicContact CG2-CG 3.81Å; T670-L834 PolarHBondContact N-O 2.89Å; T670-L834 PolarHBondContact O-N 3.34Å; L703-L834 HydrophobicContact CD2-CD1 4.2Å; V704-L834 CarbonylContact O-C 3.54Å; V704-L834 VanDerWaalsContact O-CA 3.24Å; V704-L834 WeakPolarHBondContact O-CA 3.31Å; V704-L834 WeakPolarHBondContact O-CB 3.36Å; F705-L834 HydrophobicContact CD1-CB 3.87Å; F705-L834 HydrophobicContact CD1-CD2 4.3Å; F705-L834 HydrophobicContact CE1-CB 4.07Å; F705-L834 HydrophobicContact CE1-CD2 3.63Å; F705-L834 HydrophobicContact CG-CB 4.29Å; F705-L834 HydrophobicContact CZ-CD2 3.94Å; M819-L834 HydrophobicContact CE-CD2 3.46Å; M819-L834 VanDerWaalsContact CE-CD2 3.46Å; M819-L834 HydrophobicContact SD-CD2 3.92Å; F832-L834 HydrophobicContact CD2-CD2 4.22Å; F832-L834 HydrophobicContact CE2-CD2 4.04Å
835	S	91	Very high	76.4	Confident	8 Å²	8	53.3 Å²	53.3	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.4	163	64.4	0	0	0	0	110.6	K667 G668 L703 V704	K667-S835 VanDerWaalsContact CE-CB 3.45Å; K667-S835 WeakPolarHBondContact CE-OG 3.31Å; G668-S835 CarbonylContact O-C 3.58Å; G668-S835 VanDerWaalsContact O-CA 3.23Å; G668-S835 WeakPolarHBondContact O-CA 3.44Å; G668-S835 WeakPolarHBondContact O-CB 3.13Å; L703-S835 WeakPolarHBondContact CA-O 3.43Å; V704-S835 PolarHBondContact N-O 2.78Å; V704-S835 PolarHBondContact O-N 2.75Å
836	Y	90.4	Very high	74.5	Confident	14 Å²	14	51.1 Å²	51.1	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.5	174.3	65.1	-93.6	0	0	0	109.8	Y633 F666 K667 G668 I689 R702 F838	Y633-Y836 AromaticContact CD1-CE1 3.62Å; Y633-Y836 HydrophobicContact CD1-CE1 3.62Å; Y633-Y836 AromaticContact CD1-CZ 3.74Å; Y633-Y836 HydrophobicContact CE1-CE1 4.24Å; Y633-Y836 HydrophobicContact CG-CE1 4.08Å; F666-Y836 HydrophobicContact CD1-CE2 4.35Å; F666-Y836 HydrophobicContact CE1-CE2 4.01Å; K667-Y836 CarbonylContact C-O 3.55Å; K667-Y836 VanDerWaalsContact CA-O 3.29Å; K667-Y836 WeakPolarHBondContact CA-O 3.32Å; G668-Y836 PolarHBondContact N-O 2.95Å; G668-Y836 PolarHBondContact O-N 3.46Å; I689-Y836 HydrophobicContact CD1-CG 4.49Å; I689-Y836 HydrophobicContact CG2-CD2 4.2Å; I689-Y836 HydrophobicContact CG2-CG 4.45Å; R702-Y836 CarbonylContact O-C 3.56Å; R702-Y836 VanDerWaalsContact O-CA 3.27Å; R702-Y836 WeakPolarHBondContact O-CA 3.38Å; Y836-F838 HydrophobicContact CD2-CE2 4.07Å; Y836-F838 HydrophobicContact CD2-CZ 4.3Å; Y836-F838 AromaticContact CE2-CE2 3.86Å; Y836-F838 HydrophobicContact CE2-CE2 3.86Å; Y836-F838 HydrophobicContact CE2-CZ 4.28Å
837	E	86.6	Confident	72.5	Confident	13 Å²	13	51 Å²	51	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.7	-176.9	-179.8	-175.1	-166	0	0	109.8	N665 F666 K667 R702 L839 T965	N665-E837 HydrophobicContact CB-CG 4Å; N665-E837 WeakPolarHBondContact CB-OE1 3.45Å; N665-E837 PolarHBondContact ND2-OE1 3.44Å; F666-E837 WeakPolarHBondContact O-CA 3.01Å; K667-E837 HydrophobicContact CG-CB 4.46Å; R702-E837 HydrophobicContact CB-CB 4.34Å; R702-E837 IonicContact CZ-OE2 2.79Å; R702-E837 PolarHBondContact N-O 3.3Å; R702-E837 IonicContact NH1-OE2 3.61Å; R702-E837 PolarHBondContact NH1-OE2 3.31Å; R702-E837 PolarHBondContact O-N 3.4Å; E837-L839 VanDerWaalsContact CD-CD2 3.43Å; E837-L839 HydrophobicContact CG-CD2 3.86Å; E837-T965 WeakPolarHBondContact OE2-CG2 3.34Å
838	F	84.6	Confident	70.6	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.7	172	-61.8	-70.8	0	0	0	109.9	N635 F666 I689 T690 P691 I701 Y836	N635-F838 HydrophobicContact CB-CD2 3.59Å; N635-F838 HydrophobicContact CB-CE2 3.72Å; N635-F838 HydrophobicContact CB-CG 4.02Å; N635-F838 HydrophobicContact CB-CZ 4.27Å; F666-F838 HydrophobicContact CB-CD2 4.26Å; F666-F838 AromaticContact CD1-CD2 3.92Å; F666-F838 HydrophobicContact CD1-CD2 3.92Å; F666-F838 AromaticContact CD1-CE2 3.98Å; F666-F838 HydrophobicContact CD1-CE2 3.98Å; F666-F838 PolarHBondContact O-N 3.27Å; F666-F838 VanDerWaalsContact O-N 3.07Å; I689-F838 HydrophobicContact CG2-CE1 3.86Å; I689-F838 HydrophobicContact CG2-CZ 3.87Å; T690-F838 VanDerWaalsContact C-CE1 3.42Å; T690-F838 WeakPolarHBondContact O-CE1 3.34Å; T690-F838 VanDerWaalsContact O-CZ 3.32Å; T690-F838 WeakPolarHBondContact O-CZ 3.29Å; P691-F838 HydrophobicContact CB-CD1 3.91Å; P691-F838 HydrophobicContact CB-CE1 4.22Å; I701-F838 HydrophobicContact CG1-CD1 4.02Å; I701-F838 HydrophobicContact CG1-CE1 4.01Å; Y836-F838 HydrophobicContact CD2-CE2 4.07Å; Y836-F838 HydrophobicContact CD2-CZ 4.3Å; Y836-F838 AromaticContact CE2-CE2 3.86Å; Y836-F838 HydrophobicContact CE2-CE2 3.86Å; Y836-F838 HydrophobicContact CE2-CZ 4.28Å
839	L	78.7	Confident	68.2	Low	13 Å²	13	52.9 Å²	52.9	7%	0.068	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.7	178.2	-58.8	178.3	0	0	0	110	Q699 S700 R702 V809 E837	Q699-L839 CarbonylContact C-O 3.54Å; Q699-L839 WeakPolarHBondContact CA-O 3.13Å; Q699-L839 VanDerWaalsContact CB-O 3.24Å; Q699-L839 WeakPolarHBondContact CB-O 3.44Å; S700-L839 PolarHBondContact N-O 2.8Å; S700-L839 WeakPolarHBondContact O-CB 3.22Å; S700-L839 PolarHBondContact O-N 3.03Å; R702-L839 HydrophobicContact CB-CD1 3.99Å; R702-L839 HydrophobicContact CB-CG 4.29Å; V809-L839 HydrophobicContact CG1-CD1 4.29Å; E837-L839 VanDerWaalsContact CD-CD2 3.43Å; E837-L839 HydrophobicContact CG-CD2 3.86Å
840	P	70.4	Confident	65.8	Low	61 Å²	61	57.7 Å²	57.7	40%	0.396	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	144.9	164.3	28.1	-34.3	0	0	0	109.4	N665 I842	N665-P840 WeakPolarHBondContact OD1-CD 3.43Å; P840-I842 VanDerWaalsContact C-N 3.31Å; P840-I842 PolarHBondContact O-N 2.95Å
841	K	61.5	Low	63.4	Low	54 Å²	54	55.2 Å²	55.2	24%	0.235	30%	0.299	C	S	.	.			trans	-63.3	96.3	166.1	-82.3	-165.5	-165.3	176.5	0	110	E698 P812 P843	E698-K841 HydrophobicContact CB-CD 3.59Å; E698-K841 HydrophobicContact CB-CG 4.07Å; E698-K841 HydrophobicContact CG-CD 4.49Å; E698-K841 WeakPolarHBondContact O-CG 3.36Å; E698-K841 PolarHBondContact O-N 3.1Å; E698-K841 IonicContact OE1-NZ 3.55Å; E698-K841 PolarHBondContact OE1-NZ 2.99Å; E698-K841 VanDerWaalsContact OE2-CD 3.31Å; E698-K841 WeakPolarHBondContact OE2-CD 3.43Å; E698-K841 WeakPolarHBondContact OE2-CE 3.4Å; E698-K841 IonicContact OE2-NZ 3.11Å; E698-K841 PolarHBondContact OE2-NZ 3.15Å; P812-K841 VanDerWaalsContact C-CE 3.42Å; P812-K841 HydrophobicContact CB-CD 3.82Å; P812-K841 HydrophobicContact CB-CG 4.19Å; P812-K841 WeakPolarHBondContact O-CE 3.19Å; P812-K841 PolarHBondContact O-NZ 2.7Å; K841-P843 WeakPolarHBondContact O-CD 3.44Å
842	I	51.8	Low	61.3	Low	127 Å²	127	56.2 Å²	56.2	65%	0.651	31%	0.305	S	S	*	.			trans	-61.7	121.3	152.5	-53.4	175	0	0	0	105.2	P840 L844	P840-I842 VanDerWaalsContact C-N 3.31Å; P840-I842 PolarHBondContact O-N 2.95Å; I842-L844 PolarHBondContact O-N 3.34Å
843	P	41.7	Very low	58.6	Low	103 Å²	103	59 Å²	59	67%	0.669	32%	0.32	S	S	*	.			trans	-55.1	131.2	171.1	-23.3	34.2	0	0	0	108.8	K841 D845	K841-P843 WeakPolarHBondContact O-CD 3.44Å; P843-D845 VanDerWaalsContact C-N 3.26Å; P843-D845 PolarHBondContact O-N 3.4Å
844	L	41.2	Very low	55.8	Low	104 Å²	104	64 Å²	64	55%	0.545	34%	0.341	S	S	.	.			trans	-65.1	94.5	167.7	-76.1	170	0	0	0	107.1	I842 P846	I842-L844 PolarHBondContact O-N 3.34Å; L844-P846 WeakPolarHBondContact O-CD 3.32Å; L844-P846 VanDerWaalsContact O-N 3.17Å
845	D	36.2	Very low	52.9	Low	65 Å²	65	69.4 Å²	69.4	35%	0.348	38%	0.376	S	S	.	.			trans	-48	123.8	171.1	-77.2	-52.6	0	0	0	107.5	P843 I847 K848 S849	P843-D845 VanDerWaalsContact C-N 3.26Å; P843-D845 PolarHBondContact O-N 3.4Å; D845-I847 HydrophobicContact CB-CB 4.39Å; D845-I847 PolarHBondContact O-N 2.04Å; D845-K848 HydrophobicContact CB-CB 4.21Å; D845-K848 HydrophobicContact CB-CD 3.92Å; D845-K848 HydrophobicContact CB-CG 3.93Å; D845-K848 PolarHBondContact O-N 3.06Å; D845-K848 WeakPolarHBondContact OD2-CD 3.47Å; D845-K848 VanDerWaalsContact OD2-CE 3.24Å; D845-K848 WeakPolarHBondContact OD2-CE 3.34Å; D845-K848 IonicContact OD2-NZ 2.72Å; D845-K848 PolarHBondContact OD2-NZ 3.14Å; D845-S849 PolarHBondContact O-N 3.03Å
846	P	37.6	Very low	50.2	Low	112 Å²	112	72.4 Å²	72.4	73%	0.727	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-12.1	174.9	-26.6	36.3	0	0	0	113.5	L844	L844-P846 WeakPolarHBondContact O-CD 3.32Å; L844-P846 VanDerWaalsContact O-N 3.17Å
847	I	38.6	Very low	47.5	Very low	152 Å²	152	81.2 Å²	81.2	78%	0.779	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-24.1	174.7	-55.7	168.8	0	0	0	111.8	D845	D845-I847 HydrophobicContact CB-CB 4.39Å; D845-I847 PolarHBondContact O-N 2.04Å
848	K	38	Very low	45.1	Very low	80 Å²	80	90.2 Å²	90.2	35%	0.348	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-38.2	-177.6	-70.2	175.6	178.2	166.6	0	112.6	D845 K850 Y892	D845-K848 HydrophobicContact CB-CB 4.21Å; D845-K848 HydrophobicContact CB-CD 3.92Å; D845-K848 HydrophobicContact CB-CG 3.93Å; D845-K848 PolarHBondContact O-N 3.06Å; D845-K848 WeakPolarHBondContact OD2-CD 3.47Å; D845-K848 VanDerWaalsContact OD2-CE 3.24Å; D845-K848 WeakPolarHBondContact OD2-CE 3.34Å; D845-K848 IonicContact OD2-NZ 2.72Å; D845-K848 PolarHBondContact OD2-NZ 3.14Å; K848-K850 VanDerWaalsContact C-N 3.28Å; K848-K850 PolarHBondContact O-N 3.5Å; K848-Y892 HydrophobicContact CB-CD1 4.27Å; K848-Y892 HydrophobicContact CB-CE1 3.71Å; K848-Y892 HydrophobicContact CB-CE2 4.43Å; K848-Y892 HydrophobicContact CD-CE1 4.3Å; K848-Y892 HydrophobicContact CD-CE2 4.01Å; K848-Y892 WeakPolarHBondContact CD-OH 3.03Å; K848-Y892 WeakPolarHBondContact CE-OH 3.23Å; K848-Y892 HydrophobicContact CG-CE1 3.9Å; K848-Y892 HydrophobicContact CG-CE2 4.48Å; K848-Y892 WeakPolarHBondContact CG-OH 3.1Å
849	S	35.3	Very low	42.7	Very low	38 Å²	38	97.4 Å²	97.4	27%	0.266	53%	0.525	S	S	.	.	S	Bend	trans	-72.7	84.9	162.7	58.9	0	0	0	0	108.9	D845 V851	D845-S849 PolarHBondContact O-N 3.03Å; S849-V851 PolarHBondContact O-N 3.15Å
850	K	38.7	Very low	40.7	Very low	133 Å²	133	100.3 Å²	100.3	58%	0.578	56%	0.557	S	S	*	*			trans	-70.3	81.5	176.8	-167.8	-175.5	179.5	-170.7	0	109.4	K848 V852	K848-K850 VanDerWaalsContact C-N 3.28Å; K848-K850 PolarHBondContact O-N 3.5Å; K850-V852 PolarHBondContact O-N 2.88Å
851	V	38.8	Very low	38.9	Very low	72 Å²	72	101.5 Å²	101.5	44%	0.436	58%	0.581	S	S	.	*			trans	-63.4	121.9	173.4	177.4	0	0	0	0	107.9	S849 D853 K854	S849-V851 PolarHBondContact O-N 3.15Å; V851-D853 PolarHBondContact O-N 3.25Å; V851-D853 VanDerWaalsContact O-N 3.13Å; V851-K854 HydrophobicContact CG1-CB 4.4Å
852	V	46.6	Very low	37.7	Very low	21 Å²	21	102.5 Å²	102.5	13%	0.127	61%	0.606	C	S	.	*			trans	-75.6	97.6	162.9	-179.1	0	0	0	0	106.9	K850 W977	K850-V852 PolarHBondContact O-N 2.88Å; V852-W977 HydrophobicContact CB-CZ2 4.19Å; V852-W977 HydrophobicContact CG1-CH2 3.63Å; V852-W977 HydrophobicContact CG1-CZ2 3.55Å; V852-W977 HydrophobicContact CG2-CH2 4.42Å; V852-W977 HydrophobicContact CG2-CZ2 3.62Å
853	D	36.8	Very low	37	Very low	59 Å²	59	102.6 Å²	102.6	32%	0.316	61%	0.612	S	S	.	*			trans	24.8	91.2	171	-66.6	-33.3	0	0	0	118.3	V851 V869 T871	V851-D853 PolarHBondContact O-N 3.25Å; V851-D853 VanDerWaalsContact O-N 3.13Å; D853-V869 WeakPolarHBondContact OD1-CG1 3.48Å; D853-T871 HydrophobicContact CB-CG2 3.79Å
854	K	35.3	Very low	36.7	Very low	112 Å²	112	104.9 Å²	104.9	49%	0.487	62%	0.619	S	S	.	*			trans	-91.6	119.8	155.9	-90.7	-179.3	175.1	165.8	0	110.7	V851 G856 Y895	V851-K854 HydrophobicContact CG1-CB 4.4Å; K854-G856 PolarHBondContact O-N 3.03Å; K854-G856 VanDerWaalsContact O-N 3.13Å; K854-Y895 HydrophobicContact CD-CE1 4.45Å; K854-Y895 VanDerWaalsContact CE-CE1 3.41Å; K854-Y895 PolarHBondContact NZ-OH 2.8Å
855	P	31.3	Very low	36.5	Very low	115 Å²	115	107.4 Å²	107.4	75%	0.747	63%	0.633	S	S	*	*			trans	-73	107.6	-178.5	28.1	-34.1	0	0	0	111.7	K857	P855-K857 PolarHBondContact O-N 3.01Å
856	G	34.1	Very low	36.5	Very low	71 Å²	71	114 Å²	114	73%	0.732	66%	0.659	S	S	*	*			trans	-67.2	118.6	172.5	0	0	0	0	0	111.9	K854 K858	K854-G856 PolarHBondContact O-N 3.03Å; K854-G856 VanDerWaalsContact O-N 3.13Å; G856-K858 PolarHBondContact O-N 2.89Å
857	K	34.5	Very low	36.4	Very low	199 Å²	199	116.9 Å²	116.9	87%	0.865	66%	0.662	S	S	*	*			trans	-58	107.2	176.1	-75.8	-178.1	175.2	177.8	0	111.5	P855 N859	P855-K857 PolarHBondContact O-N 3.01Å; K857-N859 PolarHBondContact O-N 3.2Å
858	K	35.4	Very low	36	Very low	202 Å²	202	115.1 Å²	115.1	88%	0.878	66%	0.663	S	S	*	*			trans	-75	100.3	163.3	-76.5	-169.4	176.4	-177.2	0	110	G856	G856-K858 PolarHBondContact O-N 2.89Å
859	N	34.3	Very low	35.9	Very low	153 Å²	153	116.7 Å²	116.7	82%	0.818	68%	0.679	S	S	*	*			trans	-80.1	133.7	158.4	-72	-16.5	0	0	0	108.7	K857	K857-N859 PolarHBondContact O-N 3.2Å
860	G	36.2	Very low	36.2	Very low	73 Å²	73	121.7 Å²	121.7	75%	0.753	70%	0.696	S	S	*	*	S	Bend	trans	95.8	123.3	177.6	0	0	0	0	0	113.1
861	G	34	Very low	36.9	Very low	87 Å²	87	118.4 Å²	118.4	90%	0.897	69%	0.688	S	S	*	*			trans	-82.2	162.8	-175.2	0	0	0	0	0	114.3
862	G	36.3	Very low	38.2	Very low	74 Å²	74	118.3 Å²	118.3	76%	0.763	69%	0.687	S	S	*	*			trans	168.3	94.7	176.7	0	0	0	0	0	112.1
863	V	37.3	Very low	39.7	Very low	129 Å²	129	117.8 Å²	117.8	78%	0.782	69%	0.685	S	S	*	*			trans	32.7	115.4	146.6	-175.3	0	0	0	0	118.5
864	D	34.8	Very low	42	Very low	152 Å²	152	115.8 Å²	115.8	81%	0.813	68%	0.675	S	S	*	*			trans	43.7	91	144.3	-49.4	-13.3	0	0	0	119.2
865	D	37.4	Very low	44.3	Very low	157 Å²	157	111.5 Å²	111.5	84%	0.84	66%	0.662	S	S	*	*			trans	-147.8	138.8	147.1	-141.7	-24.8	0	0	0	113	H867	D865-H867 PolarHBondContact O-N 2.97Å
866	K	34.6	Very low	47	Very low	202 Å²	202	109.7 Å²	109.7	88%	0.878	65%	0.646	S	S	*	*			trans	-90.1	66.8	-173.1	-81.8	-174.1	173.9	179	0	112.3
867	H	35.5	Very low	49.6	Very low	173 Å²	173	106.7 Å²	106.7	80%	0.801	61%	0.613	S	S	*	*			trans	-138.5	78.7	167.9	-92.4	81.6	0	0	0	111.5	D865 V869	D865-H867 PolarHBondContact O-N 2.97Å; H867-V869 PolarHBondContact O-N 3.15Å
868	S	30.9	Very low	52.2	Low	115 Å²	115	100 Å²	100	80%	0.804	59%	0.589	S	S	*	*			trans	-77.1	102.5	165.6	54.1	0	0	0	0	109.4	K870	S868-K870 PolarHBondContact O-N 2.93Å
869	V	36	Very low	54.7	Low	113 Å²	113	90.3 Å²	90.3	69%	0.685	55%	0.547	S	S	*	.			trans	-60	120.4	173.9	-179	0	0	0	0	108.8	D853 H867	D853-V869 WeakPolarHBondContact OD1-CG1 3.48Å; H867-V869 PolarHBondContact O-N 3.15Å
870	K	41.4	Very low	57	Low	144 Å²	144	84.5 Å²	84.5	63%	0.626	52%	0.518	S	S	*	.			trans	-98.8	108.7	-176.2	-164.3	-162.5	-172.4	-159	0	107.8	S868 T872 D1004	S868-K870 PolarHBondContact O-N 2.93Å; K870-T872 PolarHBondContact O-N 2.87Å; K870-D1004 IonicContact NZ-OD2 2.67Å; K870-D1004 PolarHBondContact NZ-OD2 2.55Å
871	T	52.6	Low	59.3	Low	64 Å²	64	85.2 Å²	85.2	39%	0.393	50%	0.504	S	S	.	.			trans	-50.6	115.5	172.4	45.6	0	0	0	0	109.5	D853	D853-T871 HydrophobicContact CB-CG2 3.79Å
872	T	66.3	Low	61.6	Low	69 Å²	69	83.3 Å²	83.3	42%	0.423	47%	0.471	S	S	.	.			trans	-69.5	140.5	178.9	53.3	0	0	0	0	110.9	K870 W977	K870-T872 PolarHBondContact O-N 2.87Å; T872-W977 WeakPolarHBondContact O-CH2 3.35Å
873	S	79.1	Confident	64	Low	11 Å²	11	83.9 Å²	83.9	8%	0.077	46%	0.461	C	S	.	.	S	Bend	trans	-91.9	-0.4	176.5	-51.6	0	0	0	0	114.2	D979	S873-D979 VanDerWaalsContact O-CB 3.28Å; S873-D979 WeakPolarHBondContact O-CB 3.41Å; S873-D979 PolarHBondContact O-N 3.26Å
874	S	85	Confident	66.4	Low	17 Å²	17	83.1 Å²	83.1	12%	0.119	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	162	177.1	179.1	0	0	0	0	109.3	W977 L1005 N1012	S874-W977 VanDerWaalsContact C-CZ2 3.48Å; S874-W977 CarbonylContact C-O 3.57Å; S874-W977 VanDerWaalsContact CA-O 3.29Å; S874-W977 WeakPolarHBondContact CA-O 3.45Å; S874-W977 PolarHBondContact OG-O 2.86Å; S874-L1005 VanDerWaalsContact CB-CD2 3.48Å; S874-N1012 WeakPolarHBondContact CB-OD1 3.47Å; S874-N1012 PolarHBondContact OG-OD1 3.34Å
875	G	84.3	Confident	69	Low	21 Å²	21	80.6 Å²	80.6	22%	0.216	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	171.9	171.6	0	0	0	0	0	115.7	W977	G875-W977 PolarHBondContact N-O 2.91Å; G875-W977 PolarHBondContact O-N 3Å; G875-W977 PolarHBondContact O-NE1 2.95Å
876	L	86.7	Confident	71.2	Confident	77 Å²	77	73.5 Å²	73.5	40%	0.403	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.3	-178.8	-161.6	70.9	0	0	0	111.8	T878 E974 I976	L876-T878 HydrophobicContact CD2-CG2 4.34Å; L876-T878 HydrophobicContact CG-CG2 4.44Å; L876-E974 HydrophobicContact CD1-CG 3.77Å; L876-E974 HydrophobicContact CD2-CG 4.42Å; L876-E974 HydrophobicContact CG-CG 4.35Å; L876-I976 HydrophobicContact CD1-CG1 3.57Å
877	I	88.4	Confident	73.3	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.046	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120	171.6	-60.4	171	0	0	0	107.9	W894 I896 F973 L975	I877-W894 HydrophobicContact CD1-CB 4.18Å; I877-W894 HydrophobicContact CD1-CG 4.38Å; I877-W894 HydrophobicContact CG2-CD2 3.75Å; I877-W894 HydrophobicContact CG2-CE3 4.35Å; I877-W894 HydrophobicContact CG2-CG 3.9Å; I877-W894 HydrophobicContact CG2-CZ2 4.2Å; I877-I896 HydrophobicContact CD1-CD1 3.79Å; I877-I896 HydrophobicContact CD1-CG1 4.09Å; I877-F973 HydrophobicContact CG2-CE2 3.9Å; I877-F973 HydrophobicContact CG2-CZ 4.14Å; I877-L975 HydrophobicContact CB-CB 4.4Å; I877-L975 PolarHBondContact N-O 2.81Å; I877-L975 PolarHBondContact O-N 3.27Å
878	T	89.2	Confident	75.4	Confident	57 Å²	57	64.6 Å²	64.6	35%	0.35	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.1	172.5	48.1	0	0	0	0	110.7	L876 F882 F973 E974	L876-T878 HydrophobicContact CD2-CG2 4.34Å; L876-T878 HydrophobicContact CG-CG2 4.44Å; T878-F882 HydrophobicContact CG2-CB 4.48Å; T878-F882 HydrophobicContact CG2-CD1 3.94Å; T878-F882 HydrophobicContact CG2-CG 4.33Å; T878-F973 WeakPolarHBondContact CA-O 3.44Å; T878-E974 HydrophobicContact CG2-CB 4.1Å; T878-E974 HydrophobicContact CG2-CG 3.96Å
879	S	88.3	Confident	77.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.346	C	S	.	.			trans	-63.1	144.7	162.1	54.6	0	0	0	0	110	F882 G972 F973	S879-F882 WeakPolarHBondContact O-CB 3.46Å; S879-F882 PolarHBondContact O-N 3.41Å; S879-G972 VanDerWaalsContact OG-CA 3.27Å; S879-G972 WeakPolarHBondContact OG-CA 3.23Å; S879-F973 PolarHBondContact N-O 2.98Å; S879-F973 PolarHBondContact OG-N 2.73Å; S879-F973 PolarHBondContact OG-O 2.68Å
880	P	81.9	Confident	79.5	Confident	31 Å²	31	58.1 Å²	58.1	20%	0.201	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	147.8	179.9	13.4	-19	0	0	0	112.3	F882 F890	P880-F882 PolarHBondContact O-N 3.05Å; P880-F890 VanDerWaalsContact CD-CZ 3.49Å; P880-F890 HydrophobicContact CG-CD2 4.23Å; P880-F890 HydrophobicContact CG-CE1 4.26Å; P880-F890 HydrophobicContact CG-CE2 3.23Å; P880-F890 HydrophobicContact CG-CZ 3.24Å
881	N	84.4	Confident	81.4	Confident	88 Å²	88	53.1 Å²	53.1	47%	0.471	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-11.1	-171.9	-47.8	-24.4	0	0	0	116.5	N884 L885 V887	N881-N884 CarbonylContact C-O 3.56Å; N881-N884 HydrophobicContact CB-CB 4.2Å; N881-N884 WeakPolarHBondContact O-CA 3.36Å; N881-N884 WeakPolarHBondContact O-CB 3.44Å; N881-N884 PolarHBondContact O-N 2.99Å; N881-N884 PolarHBondContact O-ND2 3.3Å; N881-L885 WeakPolarHBondContact CB-O 3.32Å; N881-L885 PolarHBondContact ND2-O 3.28Å; N881-V887 WeakPolarHBondContact ND2-CG2 3.38Å
882	F	84	Confident	82.9	Confident	46 Å²	46	52.7 Å²	52.7	20%	0.202	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	133.2	-178.7	-177.9	-87.3	0	0	0	111.9	T878 S879 P880 K971 E974	T878-F882 HydrophobicContact CG2-CB 4.48Å; T878-F882 HydrophobicContact CG2-CD1 3.94Å; T878-F882 HydrophobicContact CG2-CG 4.33Å; S879-F882 WeakPolarHBondContact O-CB 3.46Å; S879-F882 PolarHBondContact O-N 3.41Å; P880-F882 PolarHBondContact O-N 3.05Å; F882-K971 WeakPolarHBondContact CD2-O 3.17Å; F882-E974 HydrophobicContact CD1-CB 4.37Å; F882-E974 HydrophobicContact CE1-CB 3.73Å; F882-E974 HydrophobicContact CE1-CG 4.29Å; F882-E974 HydrophobicContact CE2-CB 4.12Å; F882-E974 HydrophobicContact CZ-CB 3.6Å
883	P	86.6	Confident	83.7	Confident	86 Å²	86	51.8 Å²	51.8	56%	0.558	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.2	7.4	7.2	35.5	-38.1	0	0	0	115.2
884	N	87.5	Confident	84.1	Confident	113 Å²	113	51.8 Å²	51.8	60%	0.604	28%	0.278	S	S	*	.	S	Bend	trans	-78.4	167.8	172.8	-45	-88.5	0	0	0	110.8	N881 Y886	N881-N884 CarbonylContact C-O 3.56Å; N881-N884 HydrophobicContact CB-CB 4.2Å; N881-N884 WeakPolarHBondContact O-CA 3.36Å; N881-N884 WeakPolarHBondContact O-CB 3.44Å; N881-N884 PolarHBondContact O-N 2.99Å; N881-N884 PolarHBondContact O-ND2 3.3Å; N884-Y886 PolarHBondContact O-N 3.43Å
885	L	88.1	Confident	84.1	Confident	100 Å²	100	53.8 Å²	53.8	52%	0.524	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-58.6	131.5	-174.9	-55.5	177.6	0	0	0	112.9	N881 S970	N881-L885 WeakPolarHBondContact CB-O 3.32Å; N881-L885 PolarHBondContact ND2-O 3.28Å; L885-S970 VanDerWaalsContact CA-O 3.31Å; L885-S970 WeakPolarHBondContact CA-O 3.06Å
886	Y	84.4	Confident	84.1	Confident	7 Å²	7	52.8 Å²	52.8	3%	0.027	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-64.8	157.4	172.5	61.5	-109.2	0	0	0	111.6	N884 L914 E915 A924 M961 T963 S970	N884-Y886 PolarHBondContact O-N 3.43Å; Y886-L914 HydrophobicContact CD1-CD2 4.22Å; Y886-L914 HydrophobicContact CE1-CD2 3.76Å; Y886-E915 WeakPolarHBondContact OH-CB 3.14Å; Y886-E915 VanDerWaalsContact OH-CG 3.23Å; Y886-E915 WeakPolarHBondContact OH-CG 3.43Å; Y886-E915 PolarHBondContact OH-N 2.94Å; Y886-E915 VanDerWaalsContact OH-N 3.13Å; Y886-E915 PolarHBondContact OH-OE1 2.95Å; Y886-A924 HydrophobicContact CE2-CB 4.45Å; Y886-A924 WeakPolarHBondContact OH-CB 3.38Å; Y886-M961 HydrophobicContact CD1-CE 3.74Å; Y886-M961 HydrophobicContact CD2-CE 4.03Å; Y886-M961 HydrophobicContact CE1-CE 4.15Å; Y886-M961 HydrophobicContact CE2-CE 4.44Å; Y886-M961 HydrophobicContact CG-CE 3.69Å; Y886-T963 HydrophobicContact CD2-CG2 3.89Å; Y886-T963 HydrophobicContact CE2-CG2 3.67Å; Y886-S970 WeakPolarHBondContact CD1-O 3.38Å; Y886-S970 WeakPolarHBondContact CE1-O 3.16Å; Y886-S970 VanDerWaalsContact CZ-N 3.29Å; Y886-S970 PolarHBondContact N-O 3.41Å; Y886-S970 PolarHBondContact OH-N 2.83Å
887	V	78.8	Confident	84.1	Confident	72 Å²	72	52.4 Å²	52.4	44%	0.436	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-78.4	136.7	179.1	-163	0	0	0	0	110.2	N881 F890 T963	N881-V887 WeakPolarHBondContact ND2-CG2 3.38Å; V887-F890 WeakPolarHBondContact O-CB 3.02Å; V887-T963 PolarHBondContact O-OG1 2.77Å
888	K	79.7	Confident	83.7	Confident	117 Å²	117	52.2 Å²	52.2	51%	0.509	27%	0.269	S	S	.	.	S	Bend	trans	-70.6	167.3	169.8	70.6	175.7	-162.2	152	0	111.8	T963 T965 A967	K888-T963 WeakPolarHBondContact CA-OG1 3.35Å; K888-T965 PolarHBondContact NZ-O 2.74Å; K888-A967 HydrophobicContact CB-CB 4.08Å; K888-A967 VanDerWaalsContact CB-O 3.29Å; K888-A967 WeakPolarHBondContact CB-O 3.06Å; K888-A967 WeakPolarHBondContact CD-O 3.15Å
889	D	76.1	Confident	83.4	Confident	75 Å²	75	52 Å²	52	40%	0.401	27%	0.268	S	S	.	.	S	Bend	trans	53.5	54.5	-178.9	-170.3	13.6	0	0	0	112.8	R702 T963 A964	R702-D889 IonicContact CZ-OD1 3.38Å; R702-D889 IonicContact NH1-OD1 3.92Å; R702-D889 PolarHBondContact NH1-OD1 2.77Å; R702-D889 IonicContact NH2-OD1 2.8Å; R702-D889 PolarHBondContact NH2-OD1 2.67Å; D889-T963 PolarHBondContact N-OG1 3.01Å; D889-A964 PolarHBondContact N-O 2.86Å
890	F	77.5	Confident	82.9	Confident	16 Å²	16	54.5 Å²	54.5	7%	0.07	28%	0.284	C	S	.	.			trans	-131.8	140.1	-163.6	174.8	-87.4	0	0	0	112.3	P880 V887 Y892 M961 H962 T963	P880-F890 VanDerWaalsContact CD-CZ 3.49Å; P880-F890 HydrophobicContact CG-CD2 4.23Å; P880-F890 HydrophobicContact CG-CE1 4.26Å; P880-F890 HydrophobicContact CG-CE2 3.23Å; P880-F890 HydrophobicContact CG-CZ 3.24Å; V887-F890 WeakPolarHBondContact O-CB 3.02Å; F890-Y892 HydrophobicContact CD1-CD2 4.45Å; F890-Y892 HydrophobicContact CD2-CD2 4.02Å; F890-Y892 AromaticContact CD2-CE2 3.81Å; F890-Y892 HydrophobicContact CD2-CE2 3.81Å; F890-Y892 AromaticContact CE1-CD2 3.82Å; F890-Y892 HydrophobicContact CE1-CD2 3.82Å; F890-Y892 HydrophobicContact CE1-CE2 4.45Å; F890-Y892 AromaticContact CE1-CG 3.84Å; F890-Y892 HydrophobicContact CE1-CG 3.84Å; F890-Y892 HydrophobicContact CE2-CD1 4.17Å; F890-Y892 AromaticContact CE2-CD2 3.32Å; F890-Y892 HydrophobicContact CE2-CD2 3.32Å; F890-Y892 AromaticContact CE2-CE1 3.97Å; F890-Y892 HydrophobicContact CE2-CE1 3.97Å; F890-Y892 AromaticContact CE2-CE2 3.09Å; F890-Y892 HydrophobicContact CE2-CE2 3.09Å; F890-Y892 AromaticContact CE2-CG 3.84Å; F890-Y892 HydrophobicContact CE2-CG 3.84Å; F890-Y892 AromaticContact CE2-CZ 3.4Å; F890-Y892 VanDerWaalsContact CE2-CZ 3.4Å; F890-Y892 AromaticContact CZ-CD1 3.64Å; F890-Y892 HydrophobicContact CZ-CD1 3.64Å; F890-Y892 AromaticContact CZ-CD2 3.2Å; F890-Y892 HydrophobicContact CZ-CD2 3.2Å; F890-Y892 AromaticContact CZ-CE1 3.88Å; F890-Y892 HydrophobicContact CZ-CE1 3.88Å; F890-Y892 AromaticContact CZ-CE2 3.49Å; F890-Y892 HydrophobicContact CZ-CE2 3.49Å; F890-Y892 VanDerWaalsContact CZ-CE2 3.49Å; F890-Y892 AromaticContact CZ-CG 3.25Å; F890-Y892 HydrophobicContact CZ-CG 3.25Å; F890-Y892 AromaticContact CZ-CZ 3.78Å; F890-M961 HydrophobicContact CD1-CG 4.28Å; F890-M961 HydrophobicContact CD1-SD 4.23Å; F890-M961 HydrophobicContact CE1-CB 4.24Å; F890-M961 HydrophobicContact CE1-CG 4.13Å; F890-M961 HydrophobicContact CE1-SD 3.83Å; F890-H962 CarbonylContact O-C 3.55Å; F890-H962 VanDerWaalsContact O-CA 3.32Å; F890-H962 WeakPolarHBondContact O-CA 3.5Å; F890-T963 HydrophobicContact CB-CG2 4.38Å; F890-T963 WeakPolarHBondContact CB-OG1 3.28Å; F890-T963 PolarHBondContact N-OG1 3.04Å; F890-T963 PolarHBondContact O-N 2.91Å
891	N	80.8	Confident	82.7	Confident	40 Å²	40	62 Å²	62	21%	0.214	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	72.9	-172.2	-62.5	-47	0	0	0	112.6	R702 V809 M961 H962	R702-N891 PolarHBondContact NH2-ND2 3.07Å; V809-N891 WeakPolarHBondContact CG2-OD1 3.37Å; N891-M961 CarbonylContact C-O 3.44Å; N891-M961 WeakPolarHBondContact CA-O 3.38Å; N891-H962 PolarHBondContact OD1-ND1 3.02Å
892	Y	83.3	Confident	82.5	Confident	55 Å²	55	65.9 Å²	65.9	22%	0.216	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	134	166.3	-36.9	-173.4	0	0	0	117.2	K848 F890 W894 K960 M961	K848-Y892 HydrophobicContact CB-CD1 4.27Å; K848-Y892 HydrophobicContact CB-CE1 3.71Å; K848-Y892 HydrophobicContact CB-CE2 4.43Å; K848-Y892 HydrophobicContact CD-CE1 4.3Å; K848-Y892 HydrophobicContact CD-CE2 4.01Å; K848-Y892 WeakPolarHBondContact CD-OH 3.03Å; K848-Y892 WeakPolarHBondContact CE-OH 3.23Å; K848-Y892 HydrophobicContact CG-CE1 3.9Å; K848-Y892 HydrophobicContact CG-CE2 4.48Å; K848-Y892 WeakPolarHBondContact CG-OH 3.1Å; F890-Y892 HydrophobicContact CD1-CD2 4.45Å; F890-Y892 HydrophobicContact CD2-CD2 4.02Å; F890-Y892 AromaticContact CD2-CE2 3.81Å; F890-Y892 HydrophobicContact CD2-CE2 3.81Å; F890-Y892 AromaticContact CE1-CD2 3.82Å; F890-Y892 HydrophobicContact CE1-CD2 3.82Å; F890-Y892 HydrophobicContact CE1-CE2 4.45Å; F890-Y892 AromaticContact CE1-CG 3.84Å; F890-Y892 HydrophobicContact CE1-CG 3.84Å; F890-Y892 HydrophobicContact CE2-CD1 4.17Å; F890-Y892 AromaticContact CE2-CD2 3.32Å; F890-Y892 HydrophobicContact CE2-CD2 3.32Å; F890-Y892 AromaticContact CE2-CE1 3.97Å; F890-Y892 HydrophobicContact CE2-CE1 3.97Å; F890-Y892 AromaticContact CE2-CE2 3.09Å; F890-Y892 HydrophobicContact CE2-CE2 3.09Å; F890-Y892 AromaticContact CE2-CG 3.84Å; F890-Y892 HydrophobicContact CE2-CG 3.84Å; F890-Y892 AromaticContact CE2-CZ 3.4Å; F890-Y892 VanDerWaalsContact CE2-CZ 3.4Å; F890-Y892 AromaticContact CZ-CD1 3.64Å; F890-Y892 HydrophobicContact CZ-CD1 3.64Å; F890-Y892 AromaticContact CZ-CD2 3.2Å; F890-Y892 HydrophobicContact CZ-CD2 3.2Å; F890-Y892 AromaticContact CZ-CE1 3.88Å; F890-Y892 HydrophobicContact CZ-CE1 3.88Å; F890-Y892 AromaticContact CZ-CE2 3.49Å; F890-Y892 HydrophobicContact CZ-CE2 3.49Å; F890-Y892 VanDerWaalsContact CZ-CE2 3.49Å; F890-Y892 AromaticContact CZ-CG 3.25Å; F890-Y892 HydrophobicContact CZ-CG 3.25Å; F890-Y892 AromaticContact CZ-CZ 3.78Å; Y892-W894 HydrophobicContact CD1-CZ2 4.15Å; Y892-K960 VanDerWaalsContact O-CA 3.23Å; Y892-K960 WeakPolarHBondContact O-CA 3.3Å; Y892-M961 PolarHBondContact N-O 3.27Å; Y892-M961 PolarHBondContact O-N 3.48Å
893	E	84.1	Confident	82.3	Confident	49 Å²	49	63.7 Å²	63.7	23%	0.229	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133	147.9	-177.7	159.7	-158.8	0	0	111.8	R958 V959 K960	E893-R958 IonicContact OE1-NH1 2.89Å; E893-R958 PolarHBondContact OE1-NH1 2.66Å; E893-V959 CarbonylContact C-O 3.42Å; E893-V959 WeakPolarHBondContact CA-O 3.36Å; E893-K960 HydrophobicContact CB-CG 4.14Å; E893-K960 HydrophobicContact CG-CG 3.95Å; E893-K960 WeakPolarHBondContact OE1-CE 3.48Å; E893-K960 IonicContact OE1-NZ 3.42Å; E893-K960 PolarHBondContact OE1-NZ 3.16Å; E893-K960 WeakPolarHBondContact OE2-CE 3.24Å; E893-K960 IonicContact OE2-NZ 3.78Å; E893-K960 PolarHBondContact OE2-NZ 3.42Å
894	W	86.3	Confident	82.4	Confident	12 Å²	12	63.5 Å²	63.5	5%	0.045	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.5	172.7	-58.8	-87.4	0	0	0	109.7	I877 Y892 L926 R958 V959 M961 F973	I877-W894 HydrophobicContact CD1-CB 4.18Å; I877-W894 HydrophobicContact CD1-CG 4.38Å; I877-W894 HydrophobicContact CG2-CD2 3.75Å; I877-W894 HydrophobicContact CG2-CE3 4.35Å; I877-W894 HydrophobicContact CG2-CG 3.9Å; I877-W894 HydrophobicContact CG2-CZ2 4.2Å; Y892-W894 HydrophobicContact CD1-CZ2 4.15Å; W894-L926 HydrophobicContact CZ3-CD1 4.39Å; W894-R958 WeakPolarHBondContact O-CA 3Å; W894-V959 HydrophobicContact CB-CB 4.45Å; W894-V959 HydrophobicContact CE3-CB 4.12Å; W894-V959 HydrophobicContact CE3-CG1 4Å; W894-V959 HydrophobicContact CZ3-CG1 4.39Å; W894-V959 PolarHBondContact N-O 3.2Å; W894-V959 PolarHBondContact O-N 2.87Å; W894-M961 HydrophobicContact CH2-CB 3.97Å; W894-M961 HydrophobicContact CH2-SD 4.48Å; W894-M961 HydrophobicContact CZ3-CB 3.73Å; W894-F973 HydrophobicContact CE3-CZ 4.41Å; W894-F973 AromaticContact CH2-CE1 3.94Å; W894-F973 HydrophobicContact CH2-CE1 3.94Å; W894-F973 AromaticContact CH2-CZ 3.65Å; W894-F973 HydrophobicContact CH2-CZ 3.65Å; W894-F973 HydrophobicContact CZ2-CZ 4.3Å; W894-F973 HydrophobicContact CZ3-CE1 4.14Å; W894-F973 AromaticContact CZ3-CZ 3.71Å; W894-F973 HydrophobicContact CZ3-CZ 3.71Å
895	Y	84.9	Confident	82.4	Confident	58 Å²	58	58.1 Å²	58.1	23%	0.227	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.6	-179.6	-173.2	-83.3	0	0	0	109.4	K854 Q897 V956 R958	K854-Y895 HydrophobicContact CD-CE1 4.45Å; K854-Y895 VanDerWaalsContact CE-CE1 3.41Å; K854-Y895 PolarHBondContact NZ-OH 2.8Å; Y895-Q897 HydrophobicContact CE1-CB 3.96Å; Y895-V956 HydrophobicContact CE1-CG1 4.37Å; Y895-V956 HydrophobicContact CE2-CG1 3.85Å; Y895-V956 WeakPolarHBondContact OH-CG1 3.29Å; Y895-R958 HydrophobicContact CD2-CG 3.73Å; Y895-R958 HydrophobicContact CE2-CG 4.07Å
896	I	86.2	Confident	82.5	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.6	-178.3	-50.2	169.1	0	0	0	107.5	I877 I905 L907 V956 A957 V959 W977	I877-I896 HydrophobicContact CD1-CD1 3.79Å; I877-I896 HydrophobicContact CD1-CG1 4.09Å; I896-I905 HydrophobicContact CB-CD1 4.37Å; I896-I905 HydrophobicContact CG2-CD1 3.98Å; I896-I905 HydrophobicContact CG2-CG2 4.06Å; I896-L907 HydrophobicContact CD1-CD2 3.75Å; I896-V956 WeakPolarHBondContact O-CA 3.41Å; I896-A957 HydrophobicContact CB-CB 4.36Å; I896-A957 PolarHBondContact N-O 3Å; I896-A957 PolarHBondContact O-N 2.65Å; I896-A957 VanDerWaalsContact O-O 3.12Å; I896-V959 HydrophobicContact CD1-CG2 4.25Å; I896-W977 HydrophobicContact CD1-CB 3.99Å; I896-W977 HydrophobicContact CD1-CG 4.01Å; I896-W977 HydrophobicContact CG2-CD2 3.67Å; I896-W977 HydrophobicContact CG2-CE3 3.53Å; I896-W977 HydrophobicContact CG2-CG 4.13Å; I896-W977 HydrophobicContact CG2-CZ3 4.05Å
897	Q	84.8	Confident	82.7	Confident	69 Å²	69	53.1 Å²	53.1	32%	0.322	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.9	176.5	173.2	168.5	-9.2	0	0	109.7	Y895 S955 V956	Y895-Q897 HydrophobicContact CE1-CB 3.96Å; Q897-S955 WeakPolarHBondContact CA-O 3.42Å; Q897-V956 HydrophobicContact CG-CG2 4.37Å
898	G	81.8	Confident	83.1	Confident	4 Å²	4	49.9 Å²	49.9	4%	0.041	23%	0.232	C	C	.	.			trans	-70.7	150.3	171.6	0	0	0	0	0	111.9	T900 S955 D979	G898-T900 PolarHBondContact O-N 3.35Å; G898-S955 PolarHBondContact N-O 3.39Å; G898-D979 WeakPolarHBondContact CA-OD2 3.43Å
899	T	81.7	Confident	83.4	Confident	53 Å²	53	44.6 Å²	44.6	33%	0.325	21%	0.209	S	C	.	.	S	Bend	trans	-63	-22.5	179.3	57.2	0	0	0	0	113.5	D979 Y1002	T899-D979 WeakPolarHBondContact CB-OD2 3.35Å; T899-D979 WeakPolarHBondContact CG2-OD2 3.38Å; T899-D979 PolarHBondContact N-OD2 3.06Å; T899-D979 PolarHBondContact OG1-OD2 2.82Å; T899-Y1002 PolarHBondContact OG1-OH 2.81Å
900	T	77.6	Confident	83.7	Confident	53 Å²	53	44 Å²	44	33%	0.325	21%	0.207	S	C	.	.	S	Bend	trans	-129.6	152.9	177.1	79.3	0	0	0	0	111.7	G898 K902 S903 S955	G898-T900 PolarHBondContact O-N 3.35Å; T900-K902 PolarHBondContact O-N 2.92Å; T900-K902 VanDerWaalsContact O-N 3.08Å; T900-K902 PolarHBondContact OG1-N 2.84Å; T900-S903 PolarHBondContact N-OG 2.82Å; T900-S903 WeakPolarHBondContact O-CB 3.3Å; T900-S903 PolarHBondContact O-N 2.9Å; T900-S903 PolarHBondContact O-OG 2.63Å; T900-S903 PolarHBondContact OG1-N 2.85Å; T900-S903 PolarHBondContact OG1-OG 2.7Å; T900-S955 WeakPolarHBondContact O-CB 3.46Å
901	E	78.4	Confident	84.2	Confident	189 Å²	189	45.1 Å²	45.1	88%	0.883	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.1	174.8	-61.9	-179.3	162.2	0	0	113.5
902	K	80.3	Confident	84.6	Confident	169 Å²	169	43.5 Å²	43.5	74%	0.735	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	3.2	176.1	-61.1	-171.6	179.4	-176.1	0	113.4	T900 P982	T900-K902 PolarHBondContact O-N 2.92Å; T900-K902 VanDerWaalsContact O-N 3.08Å; T900-K902 PolarHBondContact OG1-N 2.84Å; K902-P982 HydrophobicContact CB-CG 4.38Å
903	S	80.3	Confident	84.9	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.			trans	-64.8	143.6	175	-75.3	0	0	0	0	110.8	T900 N954 S955 D979	T900-S903 PolarHBondContact N-OG 2.82Å; T900-S903 WeakPolarHBondContact O-CB 3.3Å; T900-S903 PolarHBondContact O-N 2.9Å; T900-S903 PolarHBondContact O-OG 2.63Å; T900-S903 PolarHBondContact OG1-N 2.85Å; T900-S903 PolarHBondContact OG1-OG 2.7Å; S903-N954 CarbonylContact O-C 3.37Å; S903-S955 WeakPolarHBondContact O-CA 3.26Å; S903-S955 PolarHBondContact O-N 2.85Å; S903-D979 WeakPolarHBondContact CB-OD1 3.4Å; S903-D979 PolarHBondContact OG-OD1 2.76Å; S903-D979 PolarHBondContact OG-OD2 3.35Å
904	R	87.6	Confident	85.1	Confident	82 Å²	82	39.8 Å²	39.8	31%	0.309	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.8	167.6	-62.2	-179.2	-66.1	162.7	1.7	108.7	V951 I952 L980	R904-V951 HydrophobicContact CB-CG1 4.24Å; R904-I952 WeakPolarHBondContact CA-O 3.35Å; R904-I952 WeakPolarHBondContact CB-O 3.44Å; R904-L980 HydrophobicContact CB-CB 4.29Å; R904-L980 PolarHBondContact N-O 2.81Å; R904-L980 WeakPolarHBondContact O-CB 3.35Å; R904-L980 PolarHBondContact O-N 2.9Å
905	I	88.4	Confident	85.3	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.3	-179.7	-62.8	168.6	0	0	0	108.9	I896 L907 I952 A957	I896-I905 HydrophobicContact CB-CD1 4.37Å; I896-I905 HydrophobicContact CG2-CD1 3.98Å; I896-I905 HydrophobicContact CG2-CG2 4.06Å; I905-L907 HydrophobicContact CG2-CD2 3.93Å; I905-L907 HydrophobicContact CG2-CG 4.23Å; I905-I952 HydrophobicContact CB-CB 4.37Å; I905-I952 PolarHBondContact N-O 3.2Å; I905-I952 PolarHBondContact O-N 3.13Å; I905-A957 HydrophobicContact CB-CB 4.49Å; I905-A957 HydrophobicContact CD1-CB 3.81Å; I905-A957 HydrophobicContact CG2-CB 4.24Å
906	Q	89.7	Confident	85.4	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.8	167.1	-179.3	178.5	-63.8	0	0	109.9	I950 V951 W977 T978 L980 Y999 N1012	Q906-I950 CarbonylContact C-O 3.56Å; Q906-I950 WeakPolarHBondContact CA-O 3.09Å; Q906-V951 HydrophobicContact CB-CG2 4.3Å; Q906-V951 HydrophobicContact CG-CG2 4.18Å; Q906-W977 CarbonylContact O-C 3.53Å; Q906-W977 VanDerWaalsContact O-CA 3.23Å; Q906-W977 WeakPolarHBondContact O-CA 3.43Å; Q906-T978 PolarHBondContact N-O 3.15Å; Q906-T978 PolarHBondContact O-N 2.93Å; Q906-L980 HydrophobicContact CB-CD1 4.1Å; Q906-L980 HydrophobicContact CB-CD2 4.19Å; Q906-L980 HydrophobicContact CB-CG 4.07Å; Q906-Y999 VanDerWaalsContact OE1-CE2 3.23Å; Q906-N1012 PolarHBondContact NE2-O 3.28Å
907	L	89.2	Confident	85.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.6	176.1	-65.4	-177.1	0	0	0	108.4	I896 I905 I928 I950 I952 L975 W977	I896-L907 HydrophobicContact CD1-CD2 3.75Å; I905-L907 HydrophobicContact CG2-CD2 3.93Å; I905-L907 HydrophobicContact CG2-CG 4.23Å; L907-I928 HydrophobicContact CD1-CD1 4.15Å; L907-I928 HydrophobicContact CD1-CG2 3.68Å; L907-I950 HydrophobicContact CB-CB 4.11Å; L907-I950 HydrophobicContact CB-CG2 4.26Å; L907-I950 HydrophobicContact CD1-CG2 4.27Å; L907-I950 PolarHBondContact N-O 2.99Å; L907-I950 PolarHBondContact O-N 3.32Å; L907-I952 HydrophobicContact CD1-CD1 3.68Å; L907-I952 HydrophobicContact CG-CD1 4.43Å; L907-L975 HydrophobicContact CB-CD1 4.02Å; L907-L975 HydrophobicContact CD2-CD1 4.36Å; L907-L975 HydrophobicContact CD2-CD2 4.45Å; L907-W977 HydrophobicContact CD2-CB 3.56Å
908	Y	86.3	Confident	85.2	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.02	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.4	-177	165.5	-124.5	0	0	0	110.6	N910 I976 M1015 K1024	Y908-N910 HydrophobicContact CE1-CB 4.42Å; Y908-N910 PolarHBondContact OH-OD1 2.82Å; Y908-I976 HydrophobicContact CD1-CB 4.24Å; Y908-I976 HydrophobicContact CD1-CD1 3.83Å; Y908-I976 HydrophobicContact CE1-CD1 3.92Å; Y908-I976 PolarHBondContact N-O 3.37Å; Y908-I976 PolarHBondContact O-N 2.97Å; Y908-M1015 HydrophobicContact CD2-CG 3.86Å; Y908-M1015 HydrophobicContact CD2-SD 4Å; Y908-M1015 HydrophobicContact CE2-CG 3.66Å; Y908-M1015 HydrophobicContact CE2-SD 3.51Å; Y908-M1015 VanDerWaalsContact CE2-SD 3.51Å; Y908-K1024 WeakPolarHBondContact OH-CE 3.48Å; Y908-K1024 PolarHBondContact OH-NZ 3Å
909	F	87.2	Confident	85.3	Confident	5 Å²	5	50.4 Å²	50.4	2%	0.022	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.8	175.1	-69.1	-83.4	0	0	0	110.6	L912 L926 I928 L940 L947 F973 E974 L975	F909-L912 HydrophobicContact CB-CB 4.42Å; F909-L912 HydrophobicContact CD1-CB 4.2Å; F909-L912 HydrophobicContact CD1-CD1 4.4Å; F909-L912 HydrophobicContact CD1-CD2 4.23Å; F909-L912 HydrophobicContact CD2-CD2 4.46Å; F909-L912 HydrophobicContact CE1-CD1 4.33Å; F909-L912 HydrophobicContact CE1-CD2 4.38Å; F909-L912 HydrophobicContact CG-CB 4.43Å; F909-L912 HydrophobicContact CG-CD2 4.27Å; F909-L926 HydrophobicContact CE1-CD2 3.47Å; F909-L926 VanDerWaalsContact CE1-CD2 3.47Å; F909-L926 HydrophobicContact CZ-CD2 3.53Å; F909-I928 HydrophobicContact CE2-CD1 4.19Å; F909-I928 HydrophobicContact CZ-CD1 4.17Å; F909-L940 HydrophobicContact CE2-CD1 3.83Å; F909-L940 HydrophobicContact CZ-CD1 3.97Å; F909-L947 HydrophobicContact CB-CD2 4.07Å; F909-F973 HydrophobicContact CD1-CB 4.41Å; F909-F973 HydrophobicContact CD1-CD2 4.38Å; F909-F973 HydrophobicContact CE1-CB 4.43Å; F909-F973 AromaticContact CE1-CD2 3.99Å; F909-F973 HydrophobicContact CE1-CD2 3.99Å; F909-F973 HydrophobicContact CE1-CG 4.37Å; F909-E974 WeakPolarHBondContact CA-O 3.27Å; F909-L975 HydrophobicContact CD1-CB 4.01Å; F909-L975 HydrophobicContact CD1-CD1 4.06Å; F909-L975 HydrophobicContact CD2-CD1 4.19Å; F909-L975 HydrophobicContact CE1-CB 3.91Å; F909-L975 HydrophobicContact CE1-CD1 3.95Å; F909-L975 HydrophobicContact CE1-CD2 4.09Å; F909-L975 HydrophobicContact CE1-CG 4.21Å; F909-L975 HydrophobicContact CE2-CD1 4.08Å; F909-L975 HydrophobicContact CG-CD1 4.18Å; F909-L975 HydrophobicContact CZ-CD1 3.95Å; F909-L975 HydrophobicContact CZ-CD2 4.12Å; F909-L975 HydrophobicContact CZ-CG 4.47Å
910	N	82.2	Confident	85.7	Confident	64 Å²	64	50.2 Å²	50.2	34%	0.342	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-26.1	168.3	-170.3	51.6	0	0	0	111.2	Y908 E974 K1024	Y908-N910 HydrophobicContact CE1-CB 4.42Å; Y908-N910 PolarHBondContact OH-OD1 2.82Å; N910-E974 HydrophobicContact CB-CG 4.39Å; N910-E974 PolarHBondContact N-O 2.99Å; N910-E974 PolarHBondContact ND2-OE2 3.5Å; N910-K1024 PolarHBondContact OD1-NZ 2.87Å
911	S	87	Confident	86.4	Confident	38 Å²	38	47.8 Å²	47.8	27%	0.266	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141.9	171.2	-158.9	0	0	0	0	111.4	F973 E974	S911-F973 CarbonylContact O-C 3.58Å; S911-F973 VanDerWaalsContact O-CA 3.27Å; S911-F973 WeakPolarHBondContact O-CA 3.36Å; S911-F973 WeakPolarHBondContact O-CB 3.43Å; S911-E974 PolarHBondContact N-O 2.9Å; S911-E974 PolarHBondContact O-N 3.12Å
912	L	88.7	Confident	86.9	Confident	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	109.7	176.5	179.3	57.9	0	0	0	110.5	F909 L914 L926 L940 P944 L947 F973	F909-L912 HydrophobicContact CB-CB 4.42Å; F909-L912 HydrophobicContact CD1-CB 4.2Å; F909-L912 HydrophobicContact CD1-CD1 4.4Å; F909-L912 HydrophobicContact CD1-CD2 4.23Å; F909-L912 HydrophobicContact CD2-CD2 4.46Å; F909-L912 HydrophobicContact CE1-CD1 4.33Å; F909-L912 HydrophobicContact CE1-CD2 4.38Å; F909-L912 HydrophobicContact CG-CB 4.43Å; F909-L912 HydrophobicContact CG-CD2 4.27Å; L912-L914 HydrophobicContact CD1-CD1 3.81Å; L912-L914 HydrophobicContact CD1-CG 3.91Å; L912-L926 HydrophobicContact CD1-CD2 4.25Å; L912-L940 HydrophobicContact CD2-CB 4.44Å; L912-L940 HydrophobicContact CD2-CD1 4.15Å; L912-P944 HydrophobicContact CD2-CG 3.79Å; L912-P944 HydrophobicContact CG-CG 4.29Å; L912-L947 HydrophobicContact CB-CD2 3.82Å; L912-L947 HydrophobicContact CD2-CD2 4.49Å; L912-F973 HydrophobicContact CD1-CB 3.65Å; L912-F973 HydrophobicContact CD1-CG 4.5Å
913	D	89.4	Confident	87.4	Confident	22 Å²	22	36.9 Å²	36.9	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	90.4	-175	-176	-9.6	0	0	0	109.1	S970 K971 G972	D913-S970 VanDerWaalsContact CG-OG 3.25Å; D913-S970 WeakPolarHBondContact O-CB 3.21Å; D913-S970 PolarHBondContact OD1-OG 2.64Å; D913-K971 HydrophobicContact CB-CB 4.18Å; D913-K971 WeakPolarHBondContact OD2-CG 3.5Å; D913-K971 IonicContact OD2-NZ 3.69Å; D913-K971 PolarHBondContact OD2-NZ 2.71Å; D913-G972 PolarHBondContact N-O 3.25Å; D913-G972 WeakPolarHBondContact O-CA 3.48Å; D913-G972 PolarHBondContact O-N 2.82Å
914	L	89.8	Confident	87.9	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	19%	0.193	C	C	.	.			trans	-112.5	154.2	-179.4	-62.5	176.6	0	0	0	110.7	Y886 L912 A924 L926 G942 M961	Y886-L914 HydrophobicContact CD1-CD2 4.22Å; Y886-L914 HydrophobicContact CE1-CD2 3.76Å; L912-L914 HydrophobicContact CD1-CD1 3.81Å; L912-L914 HydrophobicContact CD1-CG 3.91Å; L914-A924 HydrophobicContact CB-CB 4.48Å; L914-L926 HydrophobicContact CD1-CB 3.78Å; L914-G942 PolarHBondContact N-O 3.41Å; L914-G942 CarbonylContact O-C 3.56Å; L914-G942 VanDerWaalsContact O-C 3.29Å; L914-G942 WeakPolarHBondContact O-CA 3.33Å; L914-G942 PolarHBondContact O-N 3.12Å; L914-M961 HydrophobicContact CD2-CE 3.79Å
915	E	89.2	Confident	88.1	Confident	15 Å²	15	33 Å²	33	7%	0.07	18%	0.179	C	C	.	.	S	Bend	trans	-63.2	145.1	171	-78.3	171.3	-89.5	0	0	112.3	Y886 R923 A924 A967 S968 G969	Y886-E915 WeakPolarHBondContact OH-CB 3.14Å; Y886-E915 VanDerWaalsContact OH-CG 3.23Å; Y886-E915 WeakPolarHBondContact OH-CG 3.43Å; Y886-E915 PolarHBondContact OH-N 2.94Å; Y886-E915 VanDerWaalsContact OH-N 3.13Å; Y886-E915 PolarHBondContact OH-OE1 2.95Å; E915-R923 HydrophobicContact CB-CB 3.97Å; E915-R923 WeakPolarHBondContact OE2-CD 3.09Å; E915-R923 IonicContact OE2-CZ 3.6Å; E915-R923 IonicContact OE2-NE 2.61Å; E915-R923 IonicContact OE2-NH1 3.6Å; E915-R923 PolarHBondContact OE2-NH1 2.81Å; E915-A924 HydrophobicContact CB-CB 4.08Å; E915-A967 WeakPolarHBondContact OE1-CB 3.49Å; E915-S968 VanDerWaalsContact CD-N 3.3Å; E915-S968 PolarHBondContact OE1-N 2.89Å; E915-S968 PolarHBondContact OE2-N 2.85Å; E915-S968 PolarHBondContact OE2-OG 3.28Å; E915-G969 WeakPolarHBondContact OE1-CA 3.4Å; E915-G969 PolarHBondContact OE1-N 3.49Å
916	G	86.9	Confident	88.2	Confident	46 Å²	46	33 Å²	33	47%	0.474	18%	0.179	S	C	.	.	S	Bend	trans	117.8	-158.8	178.7	0	0	0	0	0	112.5	N920	G916-N920 CarbonylContact C-O 3.49Å; G916-N920 WeakPolarHBondContact CA-O 3.46Å
917	S	86	Confident	88.2	Confident	60 Å²	60	33.2 Å²	33.2	42%	0.42	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-149.2	168.4	171.3	75.8	0	0	0	0	109.2	M919 N920 C941	S917-M919 PolarHBondContact O-N 3.09Å; S917-N920 PolarHBondContact N-O 3.32Å; S917-N920 CarbonylContact O-C 3.54Å; S917-N920 PolarHBondContact O-N 2.97Å; S917-N920 VanDerWaalsContact O-O 3.13Å; S917-C941 PolarHBondContact O-SG 3.16Å
918	K	81	Confident	88.2	Confident	140 Å²	140	33.2 Å²	33.2	61%	0.609	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-25	-179.5	-168.2	-176.7	174.3	-166.1	0	114.5	E727 Y803	E727-K918 IonicContact OE1-NZ 2.74Å; E727-K918 WeakPolarHBondContact OE2-CE 3.46Å; E727-K918 IonicContact OE2-NZ 2.65Å; E727-K918 PolarHBondContact OE2-NZ 3.39Å; Y803-K918 WeakPolarHBondContact CE2-O 3.34Å
919	M	84.5	Confident	88.2	Confident	105 Å²	105	33.7 Å²	33.7	52%	0.517	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.4	177.9	-67.9	-57.2	-55.6	0	0	114.8	K802 I804 S917	K802-M919 HydrophobicContact CB-CE 4.37Å; I804-M919 PolarHBondContact N-O 2.97Å; S917-M919 PolarHBondContact O-N 3.09Å
920	N	89.6	Confident	88.1	Confident	50 Å²	50	35.2 Å²	35.2	27%	0.267	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-149	105.1	-175.6	-179.8	5.9	0	0	0	111.7	I804 G916 S917 S922	I804-N920 HydrophobicContact CB-CB 4.26Å; I804-N920 HydrophobicContact CD1-CB 4.33Å; G916-N920 CarbonylContact C-O 3.49Å; G916-N920 WeakPolarHBondContact CA-O 3.46Å; S917-N920 PolarHBondContact N-O 3.32Å; S917-N920 CarbonylContact O-C 3.54Å; S917-N920 PolarHBondContact O-N 2.97Å; S917-N920 VanDerWaalsContact O-O 3.13Å; N920-S922 VanDerWaalsContact OD1-CB 3.24Å; N920-S922 WeakPolarHBondContact OD1-CB 3.44Å; N920-S922 PolarHBondContact OD1-N 3.45Å; N920-S922 PolarHBondContact OD1-OG 3.15Å
921	C	91.7	Very high	87.8	Confident	1 Å²	1	35 Å²	35	1%	0.007	19%	0.188	C	C	.	.			trans	-100.5	13.9	178.6	-58	0	0	0	0	113.8	Y803 I804 G806 P807 R923 A924 V925 C941	Y803-C921 PolarHBondContact OH-SG 3.39Å; I804-C921 PolarHBondContact O-N 3.22Å; G806-C921 WeakPolarHBondContact CA-O 3.49Å; P807-C921 WeakPolarHBondContact CD-O 3.33Å; C921-R923 PolarHBondContact O-N 3.11Å; C921-A924 PolarHBondContact O-N 2.71Å; C921-A924 VanDerWaalsContact O-N 3.15Å; C921-A924 VanDerWaalsContact O-O 3.13Å; C921-V925 HydrophobicContact CB-CB 4.32Å; C921-V925 HydrophobicContact CB-CG2 4.25Å; C921-C941 WeakPolarHBondContact CA-SG 3.44Å; C921-C941 HydrophobicContact CB-CB 3.52Å; C921-C941 WeakPolarHBondContact CB-SG 3.29Å; C921-C941 WeakPolarHBondContact SG-CB 2.93Å; C921-C941 CovalentContact SG-SG 2.03Å; C921-C941 PolarHBondContact SG-SG 3.13Å
922	S	90.8	Very high	87	Confident	22 Å²	22	43.4 Å²	43.4	15%	0.154	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-26.6	-164.8	65.9	0	0	0	0	116.2	V704 F705 P807 N920	V704-S922 WeakPolarHBondContact CG1-O 3.29Å; F705-S922 WeakPolarHBondContact O-CB 3.41Å; P807-S922 WeakPolarHBondContact CD-O 3.3Å; P807-S922 WeakPolarHBondContact CG-O 3.44Å; N920-S922 VanDerWaalsContact OD1-CB 3.24Å; N920-S922 WeakPolarHBondContact OD1-CB 3.44Å; N920-S922 PolarHBondContact OD1-N 3.45Å; N920-S922 PolarHBondContact OD1-OG 3.15Å
923	R	90.1	Very high	86.1	Confident	107 Å²	107	45.3 Å²	45.3	40%	0.404	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-35.2	-179.4	-61.7	-170.6	-167.4	161.6	3.7	115	E915 C921 T963 A964 A967	E915-R923 HydrophobicContact CB-CB 3.97Å; E915-R923 WeakPolarHBondContact OE2-CD 3.09Å; E915-R923 IonicContact OE2-CZ 3.6Å; E915-R923 IonicContact OE2-NE 2.61Å; E915-R923 IonicContact OE2-NH1 3.6Å; E915-R923 PolarHBondContact OE2-NH1 2.81Å; C921-R923 PolarHBondContact O-N 3.11Å; R923-T963 CarbonylContact O-C 3.55Å; R923-T963 VanDerWaalsContact O-CA 3.31Å; R923-T963 WeakPolarHBondContact O-CA 3.4Å; R923-A964 PolarHBondContact O-N 2.95Å; R923-A967 HydrophobicContact CB-CB 4.33Å
924	A	91.1	Very high	85	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	138.4	-172.8	0	0	0	0	0	110.6	Y886 L914 E915 C921 C941 H962 T963	Y886-A924 HydrophobicContact CE2-CB 4.45Å; Y886-A924 WeakPolarHBondContact OH-CB 3.38Å; L914-A924 HydrophobicContact CB-CB 4.48Å; E915-A924 HydrophobicContact CB-CB 4.08Å; C921-A924 PolarHBondContact O-N 2.71Å; C921-A924 VanDerWaalsContact O-N 3.15Å; C921-A924 VanDerWaalsContact O-O 3.13Å; A924-C941 VanDerWaalsContact O-CB 3.23Å; A924-C941 WeakPolarHBondContact O-CB 3.36Å; A924-H962 WeakPolarHBondContact CA-O 3.09Å; A924-T963 HydrophobicContact CB-CG2 4.17Å
925	V	91.5	Very high	84.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.9	-176.5	69	0	0	0	0	112.1	C921 R927 E939 M961 H962	C921-V925 HydrophobicContact CB-CB 4.32Å; C921-V925 HydrophobicContact CB-CG2 4.25Å; V925-R927 HydrophobicContact CG2-CG 4.2Å; V925-E939 HydrophobicContact CG2-CG 3.29Å; V925-M961 WeakPolarHBondContact O-CA 3.36Å; V925-H962 HydrophobicContact CG1-CB 4.02Å; V925-H962 PolarHBondContact N-O 2.86Å; V925-H962 PolarHBondContact O-N 3.2Å
926	L	91.2	Very high	83.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.3	171.4	-172.4	71	0	0	0	108.6	W894 F909 L912 L914 L940 V959 K960 M961 F973	W894-L926 HydrophobicContact CZ3-CD1 4.39Å; F909-L926 HydrophobicContact CE1-CD2 3.47Å; F909-L926 VanDerWaalsContact CE1-CD2 3.47Å; F909-L926 HydrophobicContact CZ-CD2 3.53Å; L912-L926 HydrophobicContact CD1-CD2 4.25Å; L914-L926 HydrophobicContact CD1-CB 3.78Å; L926-L940 HydrophobicContact CB-CB 4.38Å; L926-L940 PolarHBondContact N-O 2.87Å; L926-L940 PolarHBondContact O-N 2.9Å; L926-V959 HydrophobicContact CD1-CG1 3.55Å; L926-V959 HydrophobicContact CG-CG1 4.1Å; L926-K960 CarbonylContact C-O 3.6Å; L926-K960 WeakPolarHBondContact CA-O 3.37Å; L926-M961 HydrophobicContact CD1-CB 3.86Å; L926-M961 HydrophobicContact CD1-CG 4.46Å; L926-F973 HydrophobicContact CD1-CD1 4.15Å; L926-F973 HydrophobicContact CD1-CE1 3.53Å; L926-F973 HydrophobicContact CD1-CZ 3.82Å; L926-F973 HydrophobicContact CD2-CD1 4.08Å; L926-F973 HydrophobicContact CD2-CD2 4.43Å; L926-F973 HydrophobicContact CD2-CE1 4.19Å; L926-F973 HydrophobicContact CD2-CG 4.21Å; L926-F973 HydrophobicContact CD2-CZ 4.43Å
927	R	89.5	Confident	83	Confident	7 Å²	7	45 Å²	45	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.2	-179.6	-74.5	-172	-174.9	101.3	7.4	110.9	G806 P807 V925 Y929 Y938 E939 V959 K960	G806-R927 PolarHBondContact O-NH2 2.96Å; P807-R927 PolarHBondContact O-NH1 2.99Å; V925-R927 HydrophobicContact CG2-CG 4.2Å; R927-Y929 HydrophobicContact CB-CD2 4.47Å; R927-Y929 HydrophobicContact CB-CE2 3.59Å; R927-Y929 WeakPolarHBondContact CD-OH 3.11Å; R927-Y938 VanDerWaalsContact CA-O 3.31Å; R927-Y938 WeakPolarHBondContact CA-O 3.3Å; R927-E939 HydrophobicContact CG-CB 4.3Å; R927-E939 HydrophobicContact CG-CG 3.92Å; R927-E939 IonicContact CZ-OE1 3.24Å; R927-E939 IonicContact CZ-OE2 3.51Å; R927-E939 IonicContact NE-OE1 2.84Å; R927-E939 IonicContact NE-OE2 3.68Å; R927-E939 PolarHBondContact NE-OE2 3.29Å; R927-E939 IonicContact NH2-OE1 3.72Å; R927-E939 PolarHBondContact NH2-OE1 3.06Å; R927-E939 IonicContact NH2-OE2 2.77Å; R927-E939 PolarHBondContact NH2-OE2 3.03Å; R927-E939 VanDerWaalsContact NH2-OE2 3.11Å; R927-V959 CarbonylContact O-C 3.56Å; R927-V959 WeakPolarHBondContact O-CA 3.41Å; R927-K960 PolarHBondContact N-O 2.73Å; R927-K960 PolarHBondContact O-N 2.96Å
928	I	89.2	Confident	82.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.2	177.6	-54.7	168.3	0	0	0	108.5	L907 F909 S936 S937 Y938 L940 I950 I952 R958 V959	L907-I928 HydrophobicContact CD1-CD1 4.15Å; L907-I928 HydrophobicContact CD1-CG2 3.68Å; F909-I928 HydrophobicContact CE2-CD1 4.19Å; F909-I928 HydrophobicContact CZ-CD1 4.17Å; I928-S936 CarbonylContact O-C 3.53Å; I928-S936 WeakPolarHBondContact O-CA 3.31Å; I928-S936 WeakPolarHBondContact O-CB 3.35Å; I928-S937 PolarHBondContact O-N 3.25Å; I928-Y938 HydrophobicContact CB-CD2 3.99Å; I928-Y938 HydrophobicContact CD1-CD2 4.39Å; I928-Y938 HydrophobicContact CG2-CD2 4.13Å; I928-Y938 PolarHBondContact N-O 3.09Å; I928-Y938 PolarHBondContact O-N 3.27Å; I928-L940 HydrophobicContact CD1-CD1 4.22Å; I928-I950 HydrophobicContact CD1-CD1 3.79Å; I928-I952 HydrophobicContact CG2-CD1 3.89Å; I928-R958 CarbonylContact C-O 3.53Å; I928-R958 WeakPolarHBondContact CA-O 3.31Å; I928-V959 HydrophobicContact CG1-CG1 4.45Å; I928-V959 HydrophobicContact CG1-CG2 4.37Å
929	Y	85.9	Confident	83.1	Confident	14 Å²	14	39 Å²	39	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.1	-177	-52.6	-109.2	0	0	0	109.9	R927 P934 R935 A957 R958 K960	R927-Y929 HydrophobicContact CB-CD2 4.47Å; R927-Y929 HydrophobicContact CB-CE2 3.59Å; R927-Y929 WeakPolarHBondContact CD-OH 3.11Å; Y929-P934 VanDerWaalsContact CE1-O 3.27Å; Y929-P934 WeakPolarHBondContact CE1-O 3.34Å; Y929-R935 VanDerWaalsContact CD1-C 3.42Å; Y929-R935 WeakPolarHBondContact CD1-O 3.37Å; Y929-A957 WeakPolarHBondContact O-CA 3.38Å; Y929-R958 HydrophobicContact CD2-CB 4.43Å; Y929-R958 PolarHBondContact N-O 2.56Å; Y929-R958 PolarHBondContact O-N 3.5Å; Y929-K960 HydrophobicContact CD2-CG 4.39Å; Y929-K960 HydrophobicContact CE2-CB 4.09Å; Y929-K960 HydrophobicContact CE2-CD 3.81Å; Y929-K960 HydrophobicContact CE2-CG 3.74Å
930	E	84.4	Confident	83.3	Confident	37 Å²	37	35.2 Å²	35.2	17%	0.173	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.4	177.2	-65	175.4	-123.9	0	0	110.6	R932 N933 S937 I952 P953	E930-R932 PolarHBondContact O-N 3.15Å; E930-N933 WeakPolarHBondContact O-CB 3.38Å; E930-N933 PolarHBondContact O-N 3.09Å; E930-S937 VanDerWaalsContact CD-OG 3.3Å; E930-S937 WeakPolarHBondContact CG-OG 3.15Å; E930-S937 WeakPolarHBondContact OE1-CB 3.43Å; E930-S937 PolarHBondContact OE1-OG 3.18Å; E930-I952 HydrophobicContact CB-CG2 4.22Å; E930-I952 HydrophobicContact CG-CB 4.39Å; E930-I952 HydrophobicContact CG-CD1 4.11Å; E930-I952 HydrophobicContact CG-CG1 3.91Å; E930-I952 HydrophobicContact CG-CG2 3.78Å; E930-P953 WeakPolarHBondContact OE2-CD 3.45Å
931	D	76.8	Confident	83.2	Confident	60 Å²	60	33.4 Å²	33.4	32%	0.321	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	-121.1	-175.6	-179.2	53.5	0	0	0	113.1	N954 V956 R958	D931-N954 HydrophobicContact CB-CB 4.25Å; D931-V956 HydrophobicContact CB-CB 4.33Å; D931-V956 PolarHBondContact N-O 2.77Å; D931-R958 PolarHBondContact O-NE 2.87Å
932	R	68.7	Low	83	Confident	214 Å²	214	33.5 Å²	33.5	81%	0.808	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	11.8	-179.1	-61.4	179.8	-174.3	-130.3	4.5	112.8	E930 P934	E930-R932 PolarHBondContact O-N 3.15Å; R932-P934 WeakPolarHBondContact O-CD 3.17Å
933	N	70.2	Confident	82.6	Confident	47 Å²	47	37.3 Å²	37.3	25%	0.251	17%	0.173	S	C	.	.			trans	-59.8	123	173.4	-165.4	-2.9	0	0	0	108.4	Y768 E930 R935 R958	Y768-N933 PolarHBondContact OH-OD1 3.39Å; E930-N933 WeakPolarHBondContact O-CB 3.38Å; E930-N933 PolarHBondContact O-N 3.09Å; N933-R935 VanDerWaalsContact C-N 3.27Å; N933-R935 PolarHBondContact O-N 2.87Å; N933-R958 PolarHBondContact O-NH2 2.86Å
934	P	66.2	Low	81.6	Confident	26 Å²	26	34.2 Å²	34.2	17%	0.169	17%	0.166	C	C	.	.	S	Bend	trans	-72.7	-23.8	-178	29.3	-36.2	0	0	0	112	E794 P795 Y929 R932	E794-P934 HydrophobicContact CG-CB 3.49Å; E794-P934 VanDerWaalsContact CG-CB 3.49Å; E794-P934 HydrophobicContact CG-CG 4.42Å; E794-P934 WeakPolarHBondContact OE1-CB 3.2Å; P795-P934 HydrophobicContact CG-CG 4.4Å; P795-P934 WeakPolarHBondContact O-CB 3.48Å; P795-P934 WeakPolarHBondContact O-CG 3.27Å; Y929-P934 VanDerWaalsContact CE1-O 3.27Å; Y929-P934 WeakPolarHBondContact CE1-O 3.34Å; R932-P934 WeakPolarHBondContact O-CD 3.17Å
935	R	70.9	Confident	80.2	Confident	21 Å²	21	42.1 Å²	42.1	8%	0.079	21%	0.209	C	C	.	.	S	Bend	trans	-81.3	141.2	171.4	-171	-175.7	175.7	100.1	10.9	111.1	F729 Y768 I796 I798 Y929 N933	F729-R935 VanDerWaalsContact CE1-NH2 3.29Å; Y768-R935 HydrophobicContact CE2-CB 4.26Å; Y768-R935 VanDerWaalsContact CE2-CD 3.48Å; Y768-R935 HydrophobicContact CE2-CG 4.47Å; Y768-R935 WeakPolarHBondContact OH-CB 3.2Å; I796-R935 WeakPolarHBondContact O-CA 3.33Å; I798-R935 PolarHBondContact O-NH1 3.49Å; Y929-R935 VanDerWaalsContact CD1-C 3.42Å; Y929-R935 WeakPolarHBondContact CD1-O 3.37Å; N933-R935 VanDerWaalsContact C-N 3.27Å; N933-R935 PolarHBondContact O-N 2.87Å
936	S	75.9	Confident	78.8	Confident	5 Å²	5	47.8 Å²	47.8	4%	0.035	24%	0.235	C	C	.	.			trans	-73.7	122.2	165.4	54.8	0	0	0	0	111.1	I928 Y938	I928-S936 CarbonylContact O-C 3.53Å; I928-S936 WeakPolarHBondContact O-CA 3.31Å; I928-S936 WeakPolarHBondContact O-CB 3.35Å; S936-Y938 PolarHBondContact O-N 2.94Å
937	S	77.2	Confident	77.6	Confident	29 Å²	29	50.2 Å²	50.2	20%	0.203	25%	0.248	C	C	.	.	S	Bend	trans	-59.3	-32.4	170.7	-57.3	0	0	0	0	112	I928 E930	I928-S937 PolarHBondContact O-N 3.25Å; E930-S937 VanDerWaalsContact CD-OG 3.3Å; E930-S937 WeakPolarHBondContact CG-OG 3.15Å; E930-S937 WeakPolarHBondContact OE1-CB 3.43Å; E930-S937 PolarHBondContact OE1-OG 3.18Å
938	Y	83.1	Confident	76.5	Confident	52 Å²	52	51.6 Å²	51.6	20%	0.204	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.4	-177.1	-51.2	-74.2	0	0	0	111	L726 R927 I928 S936 I950	L726-Y938 HydrophobicContact CD2-CD1 3.35Å; L726-Y938 HydrophobicContact CD2-CE1 3.67Å; R927-Y938 VanDerWaalsContact CA-O 3.31Å; R927-Y938 WeakPolarHBondContact CA-O 3.3Å; I928-Y938 HydrophobicContact CB-CD2 3.99Å; I928-Y938 HydrophobicContact CD1-CD2 4.39Å; I928-Y938 HydrophobicContact CG2-CD2 4.13Å; I928-Y938 PolarHBondContact N-O 3.09Å; I928-Y938 PolarHBondContact O-N 3.27Å; S936-Y938 PolarHBondContact O-N 2.94Å; Y938-I950 HydrophobicContact CD1-CD1 4.12Å; Y938-I950 HydrophobicContact CD2-CD1 3.88Å; Y938-I950 HydrophobicContact CD2-CG1 4.45Å; Y938-I950 HydrophobicContact CD2-CG2 4.06Å; Y938-I950 HydrophobicContact CE1-CD1 4.29Å; Y938-I950 HydrophobicContact CE1-CG1 4.26Å; Y938-I950 HydrophobicContact CE2-CB 4.4Å; Y938-I950 HydrophobicContact CE2-CD1 4.08Å; Y938-I950 HydrophobicContact CE2-CG1 4.14Å; Y938-I950 HydrophobicContact CE2-CG2 3.41Å; Y938-I950 VanDerWaalsContact CE2-CG2 3.41Å; Y938-I950 HydrophobicContact CG-CD1 3.88Å
939	E	86.3	Confident	75.6	Confident	21 Å²	21	53 Å²	53	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114.7	171.2	-170	168.9	152.7	0	0	108.4	F729 Y799 Y803 G806 V925 R927	F729-E939 HydrophobicContact CZ-CB 4.28Å; Y799-E939 PolarHBondContact OH-OE2 2.65Å; Y803-E939 VanDerWaalsContact OH-CG 3.27Å; Y803-E939 WeakPolarHBondContact OH-CG 3.21Å; Y803-E939 PolarHBondContact OH-OE1 3.33Å; G806-E939 PolarHBondContact N-OE1 2.94Å; V925-E939 HydrophobicContact CG2-CG 3.29Å; R927-E939 HydrophobicContact CG-CB 4.3Å; R927-E939 HydrophobicContact CG-CG 3.92Å; R927-E939 IonicContact CZ-OE1 3.24Å; R927-E939 IonicContact CZ-OE2 3.51Å; R927-E939 IonicContact NE-OE1 2.84Å; R927-E939 IonicContact NE-OE2 3.68Å; R927-E939 PolarHBondContact NE-OE2 3.29Å; R927-E939 IonicContact NH2-OE1 3.72Å; R927-E939 PolarHBondContact NH2-OE1 3.06Å; R927-E939 IonicContact NH2-OE2 2.77Å; R927-E939 PolarHBondContact NH2-OE2 3.03Å; R927-E939 VanDerWaalsContact NH2-OE2 3.11Å
940	L	88.2	Confident	75.5	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.2	-168.4	-57.9	174.2	0	0	0	111.2	F909 L912 L926 I928	F909-L940 HydrophobicContact CE2-CD1 3.83Å; F909-L940 HydrophobicContact CZ-CD1 3.97Å; L912-L940 HydrophobicContact CD2-CB 4.44Å; L912-L940 HydrophobicContact CD2-CD1 4.15Å; L926-L940 HydrophobicContact CB-CB 4.38Å; L926-L940 PolarHBondContact N-O 2.87Å; L926-L940 PolarHBondContact O-N 2.9Å; I928-L940 HydrophobicContact CD1-CD1 4.22Å
941	C	89	Confident	75.6	Confident	12 Å²	12	53 Å²	53	8%	0.081	27%	0.268	C	S	.	.			trans	-159.8	173.6	173.7	70.1	0	0	0	0	111.1	S917 C921 A924	S917-C941 PolarHBondContact O-SG 3.16Å; C921-C941 WeakPolarHBondContact CA-SG 3.44Å; C921-C941 HydrophobicContact CB-CB 3.52Å; C921-C941 WeakPolarHBondContact CB-SG 3.29Å; C921-C941 WeakPolarHBondContact SG-CB 2.93Å; C921-C941 CovalentContact SG-SG 2.03Å; C921-C941 PolarHBondContact SG-SG 3.13Å; A924-C941 VanDerWaalsContact O-CB 3.23Å; A924-C941 WeakPolarHBondContact O-CB 3.36Å
942	G	86.4	Confident	76	Confident	4 Å²	4	50.2 Å²	50.2	4%	0.041	25%	0.253	C	S	.	.	S	Bend	trans	70.6	-158.3	-170.7	0	0	0	0	0	112.3	L914	L914-G942 PolarHBondContact N-O 3.41Å; L914-G942 CarbonylContact O-C 3.56Å; L914-G942 VanDerWaalsContact O-C 3.29Å; L914-G942 WeakPolarHBondContact O-CA 3.33Å; L914-G942 PolarHBondContact O-N 3.12Å
943	N	83.4	Confident	76.7	Confident	101 Å²	101	43.9 Å²	43.9	54%	0.54	24%	0.24	S	C	.	.			trans	-114.7	103.1	167.8	-179.1	-17.9	0	0	0	107.6	N945	N943-N945 PolarHBondContact O-N 2.91Å
944	P	69.6	Low	77.3	Confident	42 Å²	42	44.9 Å²	44.9	27%	0.273	25%	0.245	S	C	.	.			trans	-76.7	121	179.4	28.9	-31	0	0	0	110.5	L912 E946 L947	L912-P944 HydrophobicContact CD2-CG 3.79Å; L912-P944 HydrophobicContact CG-CG 4.29Å; P944-E946 PolarHBondContact O-N 2.82Å; P944-L947 HydrophobicContact CG-CD2 4.2Å
945	N	61.2	Low	78.2	Confident	167 Å²	167	44.7 Å²	44.7	89%	0.893	25%	0.245	S	C	*	.	S	Bend	trans	-58.5	-16.9	-178.9	-67.3	-10.3	0	0	0	114.5	N943	N943-N945 PolarHBondContact O-N 2.91Å
946	E	62	Low	78.8	Confident	119 Å²	119	44.2 Å²	44.2	56%	0.556	24%	0.244	S	C	*	.	S	Bend	trans	-126.3	115.9	173.2	-66.2	-177.2	177.7	0	0	109.2	P944 L948	P944-E946 PolarHBondContact O-N 2.82Å; E946-L948 PolarHBondContact O-N 2.97Å
947	L	64.7	Low	79.4	Confident	50 Å²	50	44 Å²	44	26%	0.262	24%	0.242	S	C	.	.			trans	-83.6	90.8	175.2	-63.4	168.9	0	0	0	108.1	F909 L912 P944	F909-L947 HydrophobicContact CB-CD2 4.07Å; L912-L947 HydrophobicContact CB-CD2 3.82Å; L912-L947 HydrophobicContact CD2-CD2 4.49Å; P944-L947 HydrophobicContact CG-CD2 4.2Å
948	L	66.8	Low	79.8	Confident	37 Å²	37	44.3 Å²	44.3	19%	0.194	24%	0.239	C	C	.	.			trans	-74.4	128.4	-175.7	-75.3	153.9	0	0	0	110.9	L726 E946 W1022	L726-L948 HydrophobicContact CB-CD1 4.12Å; L726-L948 HydrophobicContact CD1-CD1 3.46Å; L726-L948 VanDerWaalsContact CD1-CD1 3.46Å; L726-L948 HydrophobicContact CG-CD1 4.4Å; E946-L948 PolarHBondContact O-N 2.97Å; L948-W1022 HydrophobicContact CD2-CZ2 3.72Å
949	P	71.5	Confident	80.1	Confident	30 Å²	30	41.8 Å²	41.8	20%	0.195	23%	0.229	C	C	.	.			trans	-69.8	133.1	175.8	28.9	-33.4	0	0	0	110.2	M1015 W1022	P949-M1015 HydrophobicContact CB-CB 4.31Å; P949-M1015 HydrophobicContact CG-CB 4.18Å; P949-W1022 HydrophobicContact CG-CE3 3.93Å; P949-W1022 HydrophobicContact CG-CH2 3.78Å; P949-W1022 HydrophobicContact CG-CZ3 3.44Å; P949-W1022 VanDerWaalsContact CG-CZ3 3.44Å
950	I	83.7	Confident	80.2	Confident	10 Å²	10	42.2 Å²	42.2	5%	0.051	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.7	-179.7	-71.4	166.5	0	0	0	108	Q906 L907 I928 Y938 I952	Q906-I950 CarbonylContact C-O 3.56Å; Q906-I950 WeakPolarHBondContact CA-O 3.09Å; L907-I950 HydrophobicContact CB-CB 4.11Å; L907-I950 HydrophobicContact CB-CG2 4.26Å; L907-I950 HydrophobicContact CD1-CG2 4.27Å; L907-I950 PolarHBondContact N-O 2.99Å; L907-I950 PolarHBondContact O-N 3.32Å; I928-I950 HydrophobicContact CD1-CD1 3.79Å; Y938-I950 HydrophobicContact CD1-CD1 4.12Å; Y938-I950 HydrophobicContact CD2-CD1 3.88Å; Y938-I950 HydrophobicContact CD2-CG1 4.45Å; Y938-I950 HydrophobicContact CD2-CG2 4.06Å; Y938-I950 HydrophobicContact CE1-CD1 4.29Å; Y938-I950 HydrophobicContact CE1-CG1 4.26Å; Y938-I950 HydrophobicContact CE2-CB 4.4Å; Y938-I950 HydrophobicContact CE2-CD1 4.08Å; Y938-I950 HydrophobicContact CE2-CG1 4.14Å; Y938-I950 HydrophobicContact CE2-CG2 3.41Å; Y938-I950 VanDerWaalsContact CE2-CG2 3.41Å; Y938-I950 HydrophobicContact CG-CD1 3.88Å; I950-I952 HydrophobicContact CG2-CG1 4.04Å
951	V	86.1	Confident	80.3	Confident	40 Å²	40	41 Å²	41	24%	0.242	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	107.7	173.2	180	0	0	0	0	108.9	R904 Q906 L980 Y999	R904-V951 HydrophobicContact CB-CG1 4.24Å; Q906-V951 HydrophobicContact CB-CG2 4.3Å; Q906-V951 HydrophobicContact CG-CG2 4.18Å; V951-L980 HydrophobicContact CG1-CD1 4.1Å; V951-Y999 HydrophobicContact CG2-CE2 4.32Å
952	I	85.4	Confident	80.4	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.9	178.9	-67.7	173.6	0	0	0	108.2	R904 I905 L907 I928 E930 I950 N954 A957	R904-I952 WeakPolarHBondContact CA-O 3.35Å; R904-I952 WeakPolarHBondContact CB-O 3.44Å; I905-I952 HydrophobicContact CB-CB 4.37Å; I905-I952 PolarHBondContact N-O 3.2Å; I905-I952 PolarHBondContact O-N 3.13Å; L907-I952 HydrophobicContact CD1-CD1 3.68Å; L907-I952 HydrophobicContact CG-CD1 4.43Å; I928-I952 HydrophobicContact CG2-CD1 3.89Å; E930-I952 HydrophobicContact CB-CG2 4.22Å; E930-I952 HydrophobicContact CG-CB 4.39Å; E930-I952 HydrophobicContact CG-CD1 4.11Å; E930-I952 HydrophobicContact CG-CG1 3.91Å; E930-I952 HydrophobicContact CG-CG2 3.78Å; I950-I952 HydrophobicContact CG2-CG1 4.04Å; I952-N954 HydrophobicContact CG2-CB 4.12Å; I952-N954 PolarHBondContact O-N 2.6Å; I952-A957 HydrophobicContact CD1-CB 3.45Å; I952-A957 VanDerWaalsContact CD1-CB 3.45Å
953	P	84	Confident	80.5	Confident	81 Å²	81	40.8 Å²	40.8	53%	0.526	22%	0.221	S	C	.	.	S	Bend	trans	-70.4	-12.5	-177.2	29.7	-36.5	0	0	0	113.6	E930	E930-P953 WeakPolarHBondContact OE2-CD 3.45Å
954	N	81.8	Confident	80.6	Confident	68 Å²	68	36 Å²	36	36%	0.364	20%	0.195	S	C	.	.	S	Bend	trans	-102.6	153.9	-174.9	-59.8	-19.1	0	0	0	111.8	S903 D931 I952 V956	S903-N954 CarbonylContact O-C 3.37Å; D931-N954 HydrophobicContact CB-CB 4.25Å; I952-N954 HydrophobicContact CG2-CB 4.12Å; I952-N954 PolarHBondContact O-N 2.6Å; N954-V956 PolarHBondContact O-N 3.36Å; N954-V956 VanDerWaalsContact O-N 3.11Å
955	S	84.3	Confident	81.2	Confident	23 Å²	23	35.7 Å²	35.7	16%	0.161	19%	0.193	C	C	.	.	S	Bend	trans	-77.3	12.7	178.5	65.2	0	0	0	0	114.8	Q897 G898 T900 S903	Q897-S955 WeakPolarHBondContact CA-O 3.42Å; G898-S955 PolarHBondContact N-O 3.39Å; T900-S955 WeakPolarHBondContact O-CB 3.46Å; S903-S955 WeakPolarHBondContact O-CA 3.26Å; S903-S955 PolarHBondContact O-N 2.85Å
956	V	85.1	Confident	82.1	Confident	10 Å²	10	32.1 Å²	32.1	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	133	178.7	174.5	0	0	0	0	109.7	Y895 I896 Q897 D931 N954	Y895-V956 HydrophobicContact CE1-CG1 4.37Å; Y895-V956 HydrophobicContact CE2-CG1 3.85Å; Y895-V956 WeakPolarHBondContact OH-CG1 3.29Å; I896-V956 WeakPolarHBondContact O-CA 3.41Å; Q897-V956 HydrophobicContact CG-CG2 4.37Å; D931-V956 HydrophobicContact CB-CB 4.33Å; D931-V956 PolarHBondContact N-O 2.77Å; N954-V956 PolarHBondContact O-N 3.36Å; N954-V956 VanDerWaalsContact O-N 3.11Å
957	A	86.9	Confident	83.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.6	174.1	0	0	0	0	0	110.5	I896 I905 Y929 I952	I896-A957 HydrophobicContact CB-CB 4.36Å; I896-A957 PolarHBondContact N-O 3Å; I896-A957 PolarHBondContact O-N 2.65Å; I896-A957 VanDerWaalsContact O-O 3.12Å; I905-A957 HydrophobicContact CB-CB 4.49Å; I905-A957 HydrophobicContact CD1-CB 3.81Å; I905-A957 HydrophobicContact CG2-CB 4.24Å; Y929-A957 WeakPolarHBondContact O-CA 3.38Å; I952-A957 HydrophobicContact CD1-CB 3.45Å; I952-A957 VanDerWaalsContact CD1-CB 3.45Å
958	R	87.3	Confident	83.9	Confident	36 Å²	36	28.5 Å²	28.5	14%	0.136	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.4	174.8	-53.9	178.8	-71.3	128.9	-2.2	109.7	E893 W894 Y895 I928 Y929 D931 N933	E893-R958 IonicContact OE1-NH1 2.89Å; E893-R958 PolarHBondContact OE1-NH1 2.66Å; W894-R958 WeakPolarHBondContact O-CA 3Å; Y895-R958 HydrophobicContact CD2-CG 3.73Å; Y895-R958 HydrophobicContact CE2-CG 4.07Å; I928-R958 CarbonylContact C-O 3.53Å; I928-R958 WeakPolarHBondContact CA-O 3.31Å; Y929-R958 HydrophobicContact CD2-CB 4.43Å; Y929-R958 PolarHBondContact N-O 2.56Å; Y929-R958 PolarHBondContact O-N 3.5Å; D931-R958 PolarHBondContact O-NE 2.87Å; N933-R958 PolarHBondContact O-NH2 2.86Å
959	V	88.9	Confident	84.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.7	177.4	-174.9	0	0	0	0	107.7	E893 W894 I896 L926 R927 I928 L975	E893-V959 CarbonylContact C-O 3.42Å; E893-V959 WeakPolarHBondContact CA-O 3.36Å; W894-V959 HydrophobicContact CB-CB 4.45Å; W894-V959 HydrophobicContact CE3-CB 4.12Å; W894-V959 HydrophobicContact CE3-CG1 4Å; W894-V959 HydrophobicContact CZ3-CG1 4.39Å; W894-V959 PolarHBondContact N-O 3.2Å; W894-V959 PolarHBondContact O-N 2.87Å; I896-V959 HydrophobicContact CD1-CG2 4.25Å; L926-V959 HydrophobicContact CD1-CG1 3.55Å; L926-V959 HydrophobicContact CG-CG1 4.1Å; R927-V959 CarbonylContact O-C 3.56Å; R927-V959 WeakPolarHBondContact O-CA 3.41Å; I928-V959 HydrophobicContact CG1-CG1 4.45Å; I928-V959 HydrophobicContact CG1-CG2 4.37Å; V959-L975 HydrophobicContact CG2-CD2 4.25Å
960	K	88.6	Confident	85.1	Confident	30 Å²	30	26.8 Å²	26.8	13%	0.13	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.9	176	-60.1	-169.5	-171.3	-121.2	0	110.7	Y892 E893 L926 R927 Y929	Y892-K960 VanDerWaalsContact O-CA 3.23Å; Y892-K960 WeakPolarHBondContact O-CA 3.3Å; E893-K960 HydrophobicContact CB-CG 4.14Å; E893-K960 HydrophobicContact CG-CG 3.95Å; E893-K960 WeakPolarHBondContact OE1-CE 3.48Å; E893-K960 IonicContact OE1-NZ 3.42Å; E893-K960 PolarHBondContact OE1-NZ 3.16Å; E893-K960 WeakPolarHBondContact OE2-CE 3.24Å; E893-K960 IonicContact OE2-NZ 3.78Å; E893-K960 PolarHBondContact OE2-NZ 3.42Å; L926-K960 CarbonylContact C-O 3.6Å; L926-K960 WeakPolarHBondContact CA-O 3.37Å; R927-K960 PolarHBondContact N-O 2.73Å; R927-K960 PolarHBondContact O-N 2.96Å; Y929-K960 HydrophobicContact CD2-CG 4.39Å; Y929-K960 HydrophobicContact CE2-CB 4.09Å; Y929-K960 HydrophobicContact CE2-CD 3.81Å; Y929-K960 HydrophobicContact CE2-CG 3.74Å
961	M	90.2	Very high	85.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.4	174.9	179.4	-177.2	179.3	0	0	109.7	Y886 F890 N891 Y892 W894 L914 V925 L926 T963 F973	Y886-M961 HydrophobicContact CD1-CE 3.74Å; Y886-M961 HydrophobicContact CD2-CE 4.03Å; Y886-M961 HydrophobicContact CE1-CE 4.15Å; Y886-M961 HydrophobicContact CE2-CE 4.44Å; Y886-M961 HydrophobicContact CG-CE 3.69Å; F890-M961 HydrophobicContact CD1-CG 4.28Å; F890-M961 HydrophobicContact CD1-SD 4.23Å; F890-M961 HydrophobicContact CE1-CB 4.24Å; F890-M961 HydrophobicContact CE1-CG 4.13Å; F890-M961 HydrophobicContact CE1-SD 3.83Å; N891-M961 CarbonylContact C-O 3.44Å; N891-M961 WeakPolarHBondContact CA-O 3.38Å; Y892-M961 PolarHBondContact N-O 3.27Å; Y892-M961 PolarHBondContact O-N 3.48Å; W894-M961 HydrophobicContact CH2-CB 3.97Å; W894-M961 HydrophobicContact CH2-SD 4.48Å; W894-M961 HydrophobicContact CZ3-CB 3.73Å; L914-M961 HydrophobicContact CD2-CE 3.79Å; V925-M961 WeakPolarHBondContact O-CA 3.36Å; L926-M961 HydrophobicContact CD1-CB 3.86Å; L926-M961 HydrophobicContact CD1-CG 4.46Å; M961-T963 HydrophobicContact CE-CG2 3.91Å; M961-F973 HydrophobicContact SD-CD1 4.22Å; M961-F973 HydrophobicContact SD-CE1 3.75Å
962	H	89.5	Confident	85.4	Confident	12 Å²	12	29.3 Å²	29.3	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.1	178	-60.3	-75.6	0	0	0	111.1	P807 F890 N891 A924 V925	P807-H962 HydrophobicContact CB-CB 4.03Å; P807-H962 WeakPolarHBondContact O-CB 3.48Å; F890-H962 CarbonylContact O-C 3.55Å; F890-H962 VanDerWaalsContact O-CA 3.32Å; F890-H962 WeakPolarHBondContact O-CA 3.5Å; N891-H962 PolarHBondContact OD1-ND1 3.02Å; A924-H962 WeakPolarHBondContact CA-O 3.09Å; V925-H962 HydrophobicContact CG1-CB 4.02Å; V925-H962 PolarHBondContact N-O 2.86Å; V925-H962 PolarHBondContact O-N 3.2Å
963	T	89.1	Confident	85.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.9	173	73.3	0	0	0	0	111.5	R702 Y886 V887 K888 D889 F890 R923 A924 M961	R702-T963 PolarHBondContact NH2-O 2.84Å; Y886-T963 HydrophobicContact CD2-CG2 3.89Å; Y886-T963 HydrophobicContact CE2-CG2 3.67Å; V887-T963 PolarHBondContact O-OG1 2.77Å; K888-T963 WeakPolarHBondContact CA-OG1 3.35Å; D889-T963 PolarHBondContact N-OG1 3.01Å; F890-T963 HydrophobicContact CB-CG2 4.38Å; F890-T963 WeakPolarHBondContact CB-OG1 3.28Å; F890-T963 PolarHBondContact N-OG1 3.04Å; F890-T963 PolarHBondContact O-N 2.91Å; R923-T963 CarbonylContact O-C 3.55Å; R923-T963 VanDerWaalsContact O-CA 3.31Å; R923-T963 WeakPolarHBondContact O-CA 3.4Å; A924-T963 HydrophobicContact CB-CG2 4.17Å; M961-T963 HydrophobicContact CE-CG2 3.91Å
964	A	86.3	Confident	85.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.			trans	-81.4	168.3	-179.7	0	0	0	0	0	112.4	V704 P807 D889 R923 D966 A967	V704-A964 HydrophobicContact CG1-CB 4.26Å; V704-A964 HydrophobicContact CG2-CB 4.32Å; P807-A964 HydrophobicContact CG-CB 4.01Å; D889-A964 PolarHBondContact N-O 2.86Å; R923-A964 PolarHBondContact O-N 2.95Å; A964-D966 VanDerWaalsContact C-N 3.26Å; A964-D966 VanDerWaalsContact CB-OD1 3.29Å; A964-D966 WeakPolarHBondContact CB-OD1 3.47Å; A964-D966 PolarHBondContact O-N 2.97Å; A964-A967 WeakPolarHBondContact O-CB 3.26Å; A964-A967 PolarHBondContact O-N 2.87Å
965	T	81.4	Confident	86.2	Confident	35 Å²	35	24.1 Å²	24.1	22%	0.215	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27	178.3	50.4	0	0	0	0	113.9	K667 E837 K888	K667-T965 PolarHBondContact NZ-OG1 3.09Å; E837-T965 WeakPolarHBondContact OE2-CG2 3.34Å; K888-T965 PolarHBondContact NZ-O 2.74Å
966	D	80.8	Confident	86.5	Confident	93 Å²	93	23.6 Å²	23.6	50%	0.497	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	0.9	-177.2	61.2	-60.6	0	0	0	113.5	A964 S968	A964-D966 VanDerWaalsContact C-N 3.26Å; A964-D966 VanDerWaalsContact CB-OD1 3.29Å; A964-D966 WeakPolarHBondContact CB-OD1 3.47Å; A964-D966 PolarHBondContact O-N 2.97Å; D966-S968 PolarHBondContact O-N 2.74Å
967	A	83	Confident	86.7	Confident	3 Å²	3	23.3 Å²	23.3	3%	0.025	13%	0.126	C	C	.	.			trans	-57.5	134	170.4	0	0	0	0	0	110.9	K888 E915 R923 A964	K888-A967 HydrophobicContact CB-CB 4.08Å; K888-A967 VanDerWaalsContact CB-O 3.29Å; K888-A967 WeakPolarHBondContact CB-O 3.06Å; K888-A967 WeakPolarHBondContact CD-O 3.15Å; E915-A967 WeakPolarHBondContact OE1-CB 3.49Å; R923-A967 HydrophobicContact CB-CB 4.33Å; A964-A967 WeakPolarHBondContact O-CB 3.26Å; A964-A967 PolarHBondContact O-N 2.87Å
968	S	81.1	Confident	86.8	Confident	89 Å²	89	23.3 Å²	23.3	62%	0.622	13%	0.126	S	C	*	.			trans	-88.7	-14.4	177.9	62.2	0	0	0	0	113.8	E915 D966	E915-S968 VanDerWaalsContact CD-N 3.3Å; E915-S968 PolarHBondContact OE1-N 2.89Å; E915-S968 PolarHBondContact OE2-N 2.85Å; E915-S968 PolarHBondContact OE2-OG 3.28Å; D966-S968 PolarHBondContact O-N 2.74Å
969	G	78.5	Confident	87	Confident	9 Å²	9	21.7 Å²	21.7	9%	0.093	12%	0.12	C	C	.	.			trans	89.6	143.7	-166.5	0	0	0	0	0	112.2	E915	E915-G969 WeakPolarHBondContact OE1-CA 3.4Å; E915-G969 PolarHBondContact OE1-N 3.49Å
970	S	85	Confident	87	Confident	22 Å²	22	21.7 Å²	21.7	15%	0.154	12%	0.12	C	C	.	.			trans	-131.4	-177.7	155.9	-163.2	0	0	0	0	108.6	L885 Y886 D913 G972	L885-S970 VanDerWaalsContact CA-O 3.31Å; L885-S970 WeakPolarHBondContact CA-O 3.06Å; Y886-S970 WeakPolarHBondContact CD1-O 3.38Å; Y886-S970 WeakPolarHBondContact CE1-O 3.16Å; Y886-S970 VanDerWaalsContact CZ-N 3.29Å; Y886-S970 PolarHBondContact N-O 3.41Å; Y886-S970 PolarHBondContact OH-N 2.83Å; D913-S970 VanDerWaalsContact CG-OG 3.25Å; D913-S970 WeakPolarHBondContact O-CB 3.21Å; D913-S970 PolarHBondContact OD1-OG 2.64Å; S970-G972 PolarHBondContact O-N 2.8Å; S970-G972 VanDerWaalsContact O-N 3.11Å
971	K	87.7	Confident	86.9	Confident	104 Å²	104	21.5 Å²	21.5	45%	0.452	12%	0.12	S	C	.	.			trans	-59	-26.3	-173.6	-52.4	-167.9	-160.8	88.8	0	113.8	F882 D913	F882-K971 WeakPolarHBondContact CD2-O 3.17Å; D913-K971 HydrophobicContact CB-CB 4.18Å; D913-K971 WeakPolarHBondContact OD2-CG 3.5Å; D913-K971 IonicContact OD2-NZ 3.69Å; D913-K971 PolarHBondContact OD2-NZ 2.71Å
972	G	88.3	Confident	86.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.8	-144.3	-179.1	0	0	0	0	0	112.6	S879 D913 S970	S879-G972 VanDerWaalsContact OG-CA 3.27Å; S879-G972 WeakPolarHBondContact OG-CA 3.23Å; D913-G972 PolarHBondContact N-O 3.25Å; D913-G972 WeakPolarHBondContact O-CA 3.48Å; D913-G972 PolarHBondContact O-N 2.82Å; S970-G972 PolarHBondContact O-N 2.8Å; S970-G972 VanDerWaalsContact O-N 3.11Å
973	F	90.3	Very high	86.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.9	-172.9	75.7	-94.1	0	0	0	113.6	I877 T878 S879 W894 F909 S911 L912 L926 M961 L975	I877-F973 HydrophobicContact CG2-CE2 3.9Å; I877-F973 HydrophobicContact CG2-CZ 4.14Å; T878-F973 WeakPolarHBondContact CA-O 3.44Å; S879-F973 PolarHBondContact N-O 2.98Å; S879-F973 PolarHBondContact OG-N 2.73Å; S879-F973 PolarHBondContact OG-O 2.68Å; W894-F973 HydrophobicContact CE3-CZ 4.41Å; W894-F973 AromaticContact CH2-CE1 3.94Å; W894-F973 HydrophobicContact CH2-CE1 3.94Å; W894-F973 AromaticContact CH2-CZ 3.65Å; W894-F973 HydrophobicContact CH2-CZ 3.65Å; W894-F973 HydrophobicContact CZ2-CZ 4.3Å; W894-F973 HydrophobicContact CZ3-CE1 4.14Å; W894-F973 AromaticContact CZ3-CZ 3.71Å; W894-F973 HydrophobicContact CZ3-CZ 3.71Å; F909-F973 HydrophobicContact CD1-CB 4.41Å; F909-F973 HydrophobicContact CD1-CD2 4.38Å; F909-F973 HydrophobicContact CE1-CB 4.43Å; F909-F973 AromaticContact CE1-CD2 3.99Å; F909-F973 HydrophobicContact CE1-CD2 3.99Å; F909-F973 HydrophobicContact CE1-CG 4.37Å; S911-F973 CarbonylContact O-C 3.58Å; S911-F973 VanDerWaalsContact O-CA 3.27Å; S911-F973 WeakPolarHBondContact O-CA 3.36Å; S911-F973 WeakPolarHBondContact O-CB 3.43Å; L912-F973 HydrophobicContact CD1-CB 3.65Å; L912-F973 HydrophobicContact CD1-CG 4.5Å; L926-F973 HydrophobicContact CD1-CD1 4.15Å; L926-F973 HydrophobicContact CD1-CE1 3.53Å; L926-F973 HydrophobicContact CD1-CZ 3.82Å; L926-F973 HydrophobicContact CD2-CD1 4.08Å; L926-F973 HydrophobicContact CD2-CD2 4.43Å; L926-F973 HydrophobicContact CD2-CE1 4.19Å; L926-F973 HydrophobicContact CD2-CG 4.21Å; L926-F973 HydrophobicContact CD2-CZ 4.43Å; M961-F973 HydrophobicContact SD-CD1 4.22Å; M961-F973 HydrophobicContact SD-CE1 3.75Å; F973-L975 HydrophobicContact CD2-CB 3.78Å; F973-L975 HydrophobicContact CE2-CB 3.81Å; F973-L975 HydrophobicContact CE2-CD2 4.33Å
974	E	90	Very high	86.1	Confident	40 Å²	40	29.9 Å²	29.9	19%	0.187	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	114.6	171.4	-179.6	174.7	-103.1	0	0	108.6	L876 T878 F882 F909 N910 S911	L876-E974 HydrophobicContact CD1-CG 3.77Å; L876-E974 HydrophobicContact CD2-CG 4.42Å; L876-E974 HydrophobicContact CG-CG 4.35Å; T878-E974 HydrophobicContact CG2-CB 4.1Å; T878-E974 HydrophobicContact CG2-CG 3.96Å; F882-E974 HydrophobicContact CD1-CB 4.37Å; F882-E974 HydrophobicContact CE1-CB 3.73Å; F882-E974 HydrophobicContact CE1-CG 4.29Å; F882-E974 HydrophobicContact CE2-CB 4.12Å; F882-E974 HydrophobicContact CZ-CB 3.6Å; F909-E974 WeakPolarHBondContact CA-O 3.27Å; N910-E974 HydrophobicContact CB-CG 4.39Å; N910-E974 PolarHBondContact N-O 2.99Å; N910-E974 PolarHBondContact ND2-OE2 3.5Å; S911-E974 PolarHBondContact N-O 2.9Å; S911-E974 PolarHBondContact O-N 3.12Å
975	L	88.9	Confident	85.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.1	-171.8	171.6	60.5	0	0	0	109.4	I877 L907 F909 V959 F973	I877-L975 HydrophobicContact CB-CB 4.4Å; I877-L975 PolarHBondContact N-O 2.81Å; I877-L975 PolarHBondContact O-N 3.27Å; L907-L975 HydrophobicContact CB-CD1 4.02Å; L907-L975 HydrophobicContact CD2-CD1 4.36Å; L907-L975 HydrophobicContact CD2-CD2 4.45Å; F909-L975 HydrophobicContact CD1-CB 4.01Å; F909-L975 HydrophobicContact CD1-CD1 4.06Å; F909-L975 HydrophobicContact CD2-CD1 4.19Å; F909-L975 HydrophobicContact CE1-CB 3.91Å; F909-L975 HydrophobicContact CE1-CD1 3.95Å; F909-L975 HydrophobicContact CE1-CD2 4.09Å; F909-L975 HydrophobicContact CE1-CG 4.21Å; F909-L975 HydrophobicContact CE2-CD1 4.08Å; F909-L975 HydrophobicContact CG-CD1 4.18Å; F909-L975 HydrophobicContact CZ-CD1 3.95Å; F909-L975 HydrophobicContact CZ-CD2 4.12Å; F909-L975 HydrophobicContact CZ-CG 4.47Å; V959-L975 HydrophobicContact CG2-CD2 4.25Å; F973-L975 HydrophobicContact CD2-CB 3.78Å; F973-L975 HydrophobicContact CE2-CB 3.81Å; F973-L975 HydrophobicContact CE2-CD2 4.33Å
976	I	88.6	Confident	85.8	Confident	12 Å²	12	43.5 Å²	43.5	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.1	166.8	-64.6	162	0	0	0	107.4	L876 Y908 V1010	L876-I976 HydrophobicContact CD1-CG1 3.57Å; Y908-I976 HydrophobicContact CD1-CB 4.24Å; Y908-I976 HydrophobicContact CD1-CD1 3.83Å; Y908-I976 HydrophobicContact CE1-CD1 3.92Å; Y908-I976 PolarHBondContact N-O 3.37Å; Y908-I976 PolarHBondContact O-N 2.97Å; I976-V1010 HydrophobicContact CD1-CG1 3.87Å; I976-V1010 HydrophobicContact CG1-CG1 4.06Å; I976-V1010 HydrophobicContact CG2-CG1 3.78Å
977	W	90.1	Very high	85.8	Confident	5 Å²	5	43.1 Å²	43.1	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.6	169.2	71.1	-91.4	0	0	0	110.1	V852 T872 S874 G875 I896 Q906 L907 D979	V852-W977 HydrophobicContact CB-CZ2 4.19Å; V852-W977 HydrophobicContact CG1-CH2 3.63Å; V852-W977 HydrophobicContact CG1-CZ2 3.55Å; V852-W977 HydrophobicContact CG2-CH2 4.42Å; V852-W977 HydrophobicContact CG2-CZ2 3.62Å; T872-W977 WeakPolarHBondContact O-CH2 3.35Å; S874-W977 VanDerWaalsContact C-CZ2 3.48Å; S874-W977 CarbonylContact C-O 3.57Å; S874-W977 VanDerWaalsContact CA-O 3.29Å; S874-W977 WeakPolarHBondContact CA-O 3.45Å; S874-W977 PolarHBondContact OG-O 2.86Å; G875-W977 PolarHBondContact N-O 2.91Å; G875-W977 PolarHBondContact O-N 3Å; G875-W977 PolarHBondContact O-NE1 2.95Å; I896-W977 HydrophobicContact CD1-CB 3.99Å; I896-W977 HydrophobicContact CD1-CG 4.01Å; I896-W977 HydrophobicContact CG2-CD2 3.67Å; I896-W977 HydrophobicContact CG2-CE3 3.53Å; I896-W977 HydrophobicContact CG2-CG 4.13Å; I896-W977 HydrophobicContact CG2-CZ3 4.05Å; Q906-W977 CarbonylContact O-C 3.53Å; Q906-W977 VanDerWaalsContact O-CA 3.23Å; Q906-W977 WeakPolarHBondContact O-CA 3.43Å; L907-W977 HydrophobicContact CD2-CB 3.56Å; W977-D979 HydrophobicContact CZ3-CB 4.43Å
978	T	90.2	Very high	85.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.4	-175.1	-39.6	0	0	0	0	110.6	Q906 L980 L1001 L1005 N1012	Q906-T978 PolarHBondContact N-O 3.15Å; Q906-T978 PolarHBondContact O-N 2.93Å; T978-L980 HydrophobicContact CG2-CD2 4.12Å; T978-L1001 HydrophobicContact CG2-CD2 3.67Å; T978-L1005 HydrophobicContact CG2-CD1 3.93Å; T978-N1012 HydrophobicContact CG2-CB 3.9Å; T978-N1012 PolarHBondContact OG1-O 2.87Å
979	D	89.8	Confident	86.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	109.2	169	-175.9	-9.3	0	0	0	109.7	S873 G898 T899 S903 W977 Y1002	S873-D979 VanDerWaalsContact O-CB 3.28Å; S873-D979 WeakPolarHBondContact O-CB 3.41Å; S873-D979 PolarHBondContact O-N 3.26Å; G898-D979 WeakPolarHBondContact CA-OD2 3.43Å; T899-D979 WeakPolarHBondContact CB-OD2 3.35Å; T899-D979 WeakPolarHBondContact CG2-OD2 3.38Å; T899-D979 PolarHBondContact N-OD2 3.06Å; T899-D979 PolarHBondContact OG1-OD2 2.82Å; S903-D979 WeakPolarHBondContact CB-OD1 3.4Å; S903-D979 PolarHBondContact OG-OD1 2.76Å; S903-D979 PolarHBondContact OG-OD2 3.35Å; W977-D979 HydrophobicContact CZ3-CB 4.43Å; D979-Y1002 HydrophobicContact CB-CE2 4.34Å
980	L	89.6	Confident	86.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.8	179.1	-55.7	-173.2	0	0	0	110.7	R904 Q906 V951 T978 Y999 L1001	R904-L980 HydrophobicContact CB-CB 4.29Å; R904-L980 PolarHBondContact N-O 2.81Å; R904-L980 WeakPolarHBondContact O-CB 3.35Å; R904-L980 PolarHBondContact O-N 2.9Å; Q906-L980 HydrophobicContact CB-CD1 4.1Å; Q906-L980 HydrophobicContact CB-CD2 4.19Å; Q906-L980 HydrophobicContact CB-CG 4.07Å; V951-L980 HydrophobicContact CG1-CD1 4.1Å; T978-L980 HydrophobicContact CG2-CD2 4.12Å; L980-Y999 HydrophobicContact CD1-CD1 3.79Å; L980-Y999 HydrophobicContact CD1-CD2 4.24Å; L980-Y999 HydrophobicContact CD1-CE1 4.24Å; L980-Y999 HydrophobicContact CD1-CG 3.81Å; L980-Y999 HydrophobicContact CD2-CG 4.44Å; L980-L1001 HydrophobicContact CD2-CD2 3.73Å
981	L	86.6	Confident	86.6	Confident	26 Å²	26	48.1 Å²	48.1	14%	0.136	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-60.7	140.1	172.9	-87.5	172.1	0	0	0	111.1	I983 C1000 Y1002	L981-I983 PolarHBondContact O-N 3.22Å; L981-C1000 HydrophobicContact CB-CB 4.02Å; L981-C1000 VanDerWaalsContact CB-SG 3.55Å; L981-C1000 PolarHBondContact N-O 3.49Å; L981-Y1002 HydrophobicContact CD1-CD1 4.24Å; L981-Y1002 HydrophobicContact CD1-CD2 4.38Å; L981-Y1002 HydrophobicContact CD1-CE1 4.38Å; L981-Y1002 HydrophobicContact CD1-CG 4.22Å; L981-Y1002 HydrophobicContact CD2-CD1 4.37Å; L981-Y1002 HydrophobicContact CD2-CD2 4.47Å; L981-Y1002 HydrophobicContact CD2-CE1 3.71Å; L981-Y1002 HydrophobicContact CD2-CE2 3.81Å; L981-Y1002 VanDerWaalsContact CD2-OH 3.31Å; L981-Y1002 WeakPolarHBondContact CD2-OH 3.22Å; L981-Y1002 HydrophobicContact CG-CD1 4.3Å; L981-Y1002 HydrophobicContact CG-CD2 3.9Å; L981-Y1002 HydrophobicContact CG-CE1 4.08Å; L981-Y1002 HydrophobicContact CG-CE2 3.63Å; L981-Y1002 HydrophobicContact CG-CG 4.2Å
982	P	84.9	Confident	86.6	Confident	58 Å²	58	44.7 Å²	44.7	38%	0.377	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-68	127.5	167.6	28.6	-33.1	0	0	0	110	K902	K902-P982 HydrophobicContact CB-CG 4.38Å
983	I	83.9	Confident	86.7	Confident	84 Å²	84	49.3 Å²	49.3	43%	0.431	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-73.6	128.5	174.5	-62	172.7	0	0	0	108.7	L981 L993 C1000	L981-I983 PolarHBondContact O-N 3.22Å; I983-L993 HydrophobicContact CD1-CD1 4.49Å; I983-C1000 HydrophobicContact CD1-CB 4.29Å; I983-C1000 HydrophobicContact CG1-CB 3.68Å
984	D	83	Confident	86.8	Confident	46 Å²	46	49.4 Å²	49.4	25%	0.246	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-85	126.6	-179.9	-166.4	-53.2	0	0	0	109.9	E986 T987 G988 K990	D984-E986 PolarHBondContact O-N 3.47Å; D984-E986 PolarHBondContact OD1-N 3.11Å; D984-T987 VanDerWaalsContact CB-OG1 3.31Å; D984-T987 WeakPolarHBondContact CB-OG1 3.47Å; D984-T987 PolarHBondContact OD1-N 2.84Å; D984-G988 WeakPolarHBondContact CB-O 3.33Å; D984-G988 PolarHBondContact N-O 2.79Å; D984-G988 VanDerWaalsContact N-O 3.14Å; D984-G988 VanDerWaalsContact O-CA 3.25Å; D984-G988 WeakPolarHBondContact O-CA 3.43Å; D984-G988 PolarHBondContact O-N 3.32Å; D984-K990 WeakPolarHBondContact OD2-CE 3.33Å; D984-K990 IonicContact OD2-NZ 2.67Å; D984-K990 PolarHBondContact OD2-NZ 3.49Å
985	P	80.6	Confident	86.6	Confident	134 Å²	134	55 Å²	55	87%	0.87	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.6	179.7	-24.3	34.9	0	0	0	114.6
986	E	81.1	Confident	86.5	Confident	188 Å²	188	58.5 Å²	58.5	88%	0.879	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-36.3	-178.2	-64.8	-174.3	-177.7	0	0	112.3	D984	D984-E986 PolarHBondContact O-N 3.47Å; D984-E986 PolarHBondContact OD1-N 3.11Å
987	T	81.6	Confident	86.4	Confident	85 Å²	85	59.2 Å²	59.2	52%	0.521	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-3.3	-176.6	79.6	0	0	0	0	115.1	D984 K990	D984-T987 VanDerWaalsContact CB-OG1 3.31Å; D984-T987 WeakPolarHBondContact CB-OG1 3.47Å; D984-T987 PolarHBondContact OD1-N 2.84Å; T987-K990 WeakPolarHBondContact OG1-CE 3.37Å
988	G	84.1	Confident	86.3	Confident	29 Å²	29	60.7 Å²	60.7	30%	0.299	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	69	-153.1	-174.7	0	0	0	0	0	114	D984	D984-G988 WeakPolarHBondContact CB-O 3.33Å; D984-G988 PolarHBondContact N-O 2.79Å; D984-G988 VanDerWaalsContact N-O 3.14Å; D984-G988 VanDerWaalsContact O-CA 3.25Å; D984-G988 WeakPolarHBondContact O-CA 3.43Å; D984-G988 PolarHBondContact O-N 3.32Å
989	C	87.7	Confident	86.3	Confident	31 Å²	31	63 Å²	63	21%	0.209	35%	0.352	C	S	.	.			trans	-73.4	135.8	174.9	-179.9	0	0	0	0	111	G991 F992 L993 C1000	C989-G991 PolarHBondContact SG-O 2.8Å; C989-G991 VanDerWaalsContact SG-O 3.41Å; C989-F992 PolarHBondContact SG-O 2.85Å; C989-F992 VanDerWaalsContact SG-O 3.33Å; C989-L993 HydrophobicContact CB-CB 4.2Å; C989-L993 HydrophobicContact CB-CD1 4.22Å; C989-C1000 WeakPolarHBondContact CA-SG 3.36Å; C989-C1000 HydrophobicContact CB-CB 3.82Å; C989-C1000 WeakPolarHBondContact CB-SG 3.4Å; C989-C1000 VanDerWaalsContact SG-CA 3.53Å; C989-C1000 WeakPolarHBondContact SG-CB 3.24Å; C989-C1000 CovalentContact SG-SG 2.03Å; C989-C1000 PolarHBondContact SG-SG 2.88Å
990	K	85.1	Confident	86.4	Confident	141 Å²	141	63 Å²	63	61%	0.613	35%	0.351	S	S	*	.	S	Bend	trans	-96.5	6.1	-179.2	-66.1	174.8	-173.9	165.2	0	113.7	D984 T987	D984-K990 WeakPolarHBondContact OD2-CE 3.33Å; D984-K990 IonicContact OD2-NZ 2.67Å; D984-K990 PolarHBondContact OD2-NZ 3.49Å; T987-K990 WeakPolarHBondContact OG1-CE 3.37Å
991	G	86	Confident	86.4	Confident	27 Å²	27	63 Å²	63	28%	0.278	35%	0.351	S	S	.	.	S	Bend	trans	-142.5	-142.6	175.4	0	0	0	0	0	110.2	C989 L1001	C989-G991 PolarHBondContact SG-O 2.8Å; C989-G991 VanDerWaalsContact SG-O 3.41Å; G991-L1001 CarbonylContact C-O 3.6Å; G991-L1001 WeakPolarHBondContact CA-O 3.32Å
992	F	89	Confident	86.4	Confident	32 Å²	32	63.9 Å²	63.9	14%	0.14	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.5	179.4	-174.5	-90.5	0	0	0	111.3	C989 C1000 L1001 E1006 S1027 D1028	C989-F992 PolarHBondContact SG-O 2.85Å; C989-F992 VanDerWaalsContact SG-O 3.33Å; F992-C1000 CarbonylContact O-C 3.31Å; F992-C1000 WeakPolarHBondContact O-CA 3.32Å; F992-L1001 HydrophobicContact CB-CB 4.33Å; F992-L1001 HydrophobicContact CD1-CD1 4.22Å; F992-L1001 PolarHBondContact N-O 2.89Å; F992-L1001 PolarHBondContact O-N 3.44Å; F992-E1006 HydrophobicContact CB-CB 4.45Å; F992-E1006 HydrophobicContact CD2-CB 4.31Å; F992-E1006 HydrophobicContact CD2-CG 3.85Å; F992-E1006 HydrophobicContact CE2-CG 4.25Å; F992-E1006 HydrophobicContact CG-CG 4.49Å; F992-S1027 VanDerWaalsContact CZ-O 3.3Å; F992-S1027 WeakPolarHBondContact CZ-O 3.38Å; F992-D1028 HydrophobicContact CD1-CB 4.16Å; F992-D1028 HydrophobicContact CE1-CB 3.9Å; F992-D1028 HydrophobicContact CZ-CB 4.47Å
993	L	90.5	Very high	86.3	Confident	96 Å²	96	64.4 Å²	64.4	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.7	177.6	-179	67.7	0	0	0	109.8	I983 C989	I983-L993 HydrophobicContact CD1-CD1 4.49Å; C989-L993 HydrophobicContact CB-CB 4.2Å; C989-L993 HydrophobicContact CB-CD1 4.22Å
994	C	90.9	Very high	86.3	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	36%	0.363	C	S	.	.			trans	-65.6	132.8	179	-59.5	0	0	0	0	111.9	T997 G998 Y999 C1013	C994-T997 WeakPolarHBondContact CB-OG1 3.31Å; C994-G998 VanDerWaalsContact O-CA 3.29Å; C994-G998 WeakPolarHBondContact O-CA 3.45Å; C994-G998 PolarHBondContact O-N 2.75Å; C994-Y999 PolarHBondContact N-O 3.11Å; C994-Y999 PolarHBondContact SG-O 2.76Å; C994-C1013 HydrophobicContact CB-CB 3.7Å; C994-C1013 WeakPolarHBondContact CB-SG 3.4Å; C994-C1013 WeakPolarHBondContact SG-CA 3.17Å; C994-C1013 WeakPolarHBondContact SG-CB 3.28Å; C994-C1013 CovalentContact SG-SG 2.03Å; C994-C1013 PolarHBondContact SG-SG 2.92Å
995	E	86.4	Confident	86.5	Confident	159 Å²	159	62.6 Å²	62.6	74%	0.743	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-41	-168.4	-167.5	-179.1	-174.4	0	0	112.9	S1027	E995-S1027 WeakPolarHBondContact CB-OG 3.35Å
996	N	87.9	Confident	86.7	Confident	72 Å²	72	60.3 Å²	60.3	39%	0.385	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-33.3	-173.3	-55.8	-85.6	0	0	0	112.9	Y1016 D1025	N996-Y1016 HydrophobicContact CB-CD1 3.45Å; N996-Y1016 VanDerWaalsContact CB-CD1 3.45Å; N996-Y1016 HydrophobicContact CB-CD2 3.76Å; N996-Y1016 HydrophobicContact CB-CE1 3.55Å; N996-Y1016 HydrophobicContact CB-CE2 3.86Å; N996-Y1016 HydrophobicContact CB-CG 3.54Å; N996-D1025 WeakPolarHBondContact CB-OD1 3.46Å; N996-D1025 PolarHBondContact N-OD2 2.89Å; N996-D1025 PolarHBondContact ND2-OD1 3.23Å
997	T	86.5	Confident	86.8	Confident	27 Å²	27	54.2 Å²	54.2	17%	0.166	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-21.5	177.6	51.7	0	0	0	0	114.4	C994 Y999 C1013 M1015 D1025	C994-T997 WeakPolarHBondContact CB-OG1 3.31Å; T997-Y999 VanDerWaalsContact CB-CD2 3.48Å; T997-Y999 HydrophobicContact CG2-CD2 4.13Å; T997-Y999 HydrophobicContact CG2-CE2 3.96Å; T997-Y999 PolarHBondContact O-N 3.33Å; T997-C1013 WeakPolarHBondContact CG2-O 3.35Å; T997-C1013 PolarHBondContact OG1-O 3.12Å; T997-M1015 WeakPolarHBondContact CG2-O 3.25Å; T997-D1025 WeakPolarHBondContact CB-OD2 3.05Å; T997-D1025 HydrophobicContact CG2-CB 3.91Å; T997-D1025 WeakPolarHBondContact CG2-OD2 3.26Å; T997-D1025 PolarHBondContact N-OD2 2.91Å; T997-D1025 PolarHBondContact OG1-OD2 3.32Å
998	G	87.9	Confident	86.9	Confident	36 Å²	36	52.7 Å²	52.7	37%	0.371	30%	0.297	S	S	.	.			trans	68.2	14.8	-177	0	0	0	0	0	114.6	C994	C994-G998 VanDerWaalsContact O-CA 3.29Å; C994-G998 WeakPolarHBondContact O-CA 3.45Å; C994-G998 PolarHBondContact O-N 2.75Å
999	Y	89.9	Confident	86.7	Confident	50 Å²	50	60.3 Å²	60.3	20%	0.196	33%	0.325	C	S	.	.			trans	-78	145	175.9	-60.5	-39.5	0	0	0	112.1	Q906 V951 L980 C994 T997	Q906-Y999 VanDerWaalsContact OE1-CE2 3.23Å; V951-Y999 HydrophobicContact CG2-CE2 4.32Å; L980-Y999 HydrophobicContact CD1-CD1 3.79Å; L980-Y999 HydrophobicContact CD1-CD2 4.24Å; L980-Y999 HydrophobicContact CD1-CE1 4.24Å; L980-Y999 HydrophobicContact CD1-CG 3.81Å; L980-Y999 HydrophobicContact CD2-CG 4.44Å; C994-Y999 PolarHBondContact N-O 3.11Å; C994-Y999 PolarHBondContact SG-O 2.76Å; T997-Y999 VanDerWaalsContact CB-CD2 3.48Å; T997-Y999 HydrophobicContact CG2-CD2 4.13Å; T997-Y999 HydrophobicContact CG2-CE2 3.96Å; T997-Y999 PolarHBondContact O-N 3.33Å
1000	C	91.2	Very high	86.4	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.7	177.2	-175.9	0	0	0	0	109.3	L981 I983 C989 F992	L981-C1000 HydrophobicContact CB-CB 4.02Å; L981-C1000 VanDerWaalsContact CB-SG 3.55Å; L981-C1000 PolarHBondContact N-O 3.49Å; I983-C1000 HydrophobicContact CD1-CB 4.29Å; I983-C1000 HydrophobicContact CG1-CB 3.68Å; C989-C1000 WeakPolarHBondContact CA-SG 3.36Å; C989-C1000 HydrophobicContact CB-CB 3.82Å; C989-C1000 WeakPolarHBondContact CB-SG 3.4Å; C989-C1000 VanDerWaalsContact SG-CA 3.53Å; C989-C1000 WeakPolarHBondContact SG-CB 3.24Å; C989-C1000 CovalentContact SG-SG 2.03Å; C989-C1000 PolarHBondContact SG-SG 2.88Å; F992-C1000 CarbonylContact O-C 3.31Å; F992-C1000 WeakPolarHBondContact O-CA 3.32Å
1001	L	89.4	Confident	86.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	154.3	-179.1	-59.3	-178	0	0	0	110.8	T978 L980 G991 F992 L1005 N1012 D1028	T978-L1001 HydrophobicContact CG2-CD2 3.67Å; L980-L1001 HydrophobicContact CD2-CD2 3.73Å; G991-L1001 CarbonylContact C-O 3.6Å; G991-L1001 WeakPolarHBondContact CA-O 3.32Å; F992-L1001 HydrophobicContact CB-CB 4.33Å; F992-L1001 HydrophobicContact CD1-CD1 4.22Å; F992-L1001 PolarHBondContact N-O 2.89Å; F992-L1001 PolarHBondContact O-N 3.44Å; L1001-L1005 HydrophobicContact CB-CB 4.37Å; L1001-L1005 HydrophobicContact CB-CD1 4.38Å; L1001-N1012 HydrophobicContact CD1-CB 3.66Å; L1001-N1012 HydrophobicContact CD2-CB 4.16Å; L1001-D1028 HydrophobicContact CD1-CB 4.15Å
1002	Y	87.4	Confident	86.5	Confident	45 Å²	45	54.5 Å²	54.5	18%	0.176	29%	0.294	C	S	.	.			trans	-61.9	143.8	167.5	-76.5	-92.2	0	0	0	110.9	T899 D979 L981 D1004 L1005	T899-Y1002 PolarHBondContact OG1-OH 2.81Å; D979-Y1002 HydrophobicContact CB-CE2 4.34Å; L981-Y1002 HydrophobicContact CD1-CD1 4.24Å; L981-Y1002 HydrophobicContact CD1-CD2 4.38Å; L981-Y1002 HydrophobicContact CD1-CE1 4.38Å; L981-Y1002 HydrophobicContact CD1-CG 4.22Å; L981-Y1002 HydrophobicContact CD2-CD1 4.37Å; L981-Y1002 HydrophobicContact CD2-CD2 4.47Å; L981-Y1002 HydrophobicContact CD2-CE1 3.71Å; L981-Y1002 HydrophobicContact CD2-CE2 3.81Å; L981-Y1002 VanDerWaalsContact CD2-OH 3.31Å; L981-Y1002 WeakPolarHBondContact CD2-OH 3.22Å; L981-Y1002 HydrophobicContact CG-CD1 4.3Å; L981-Y1002 HydrophobicContact CG-CD2 3.9Å; L981-Y1002 HydrophobicContact CG-CE1 4.08Å; L981-Y1002 HydrophobicContact CG-CE2 3.63Å; L981-Y1002 HydrophobicContact CG-CG 4.2Å; Y1002-D1004 WeakPolarHBondContact CB-OD1 3.33Å; Y1002-D1004 PolarHBondContact O-N 2.84Å; Y1002-D1004 VanDerWaalsContact O-N 3.13Å; Y1002-L1005 WeakPolarHBondContact O-CB 3.35Å; Y1002-L1005 PolarHBondContact O-N 2.99Å
1003	A	83.2	Confident	86.4	Confident	69 Å²	69	53 Å²	53	57%	0.57	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-5.8	-176.5	0	0	0	0	0	114.6
1004	D	84.1	Confident	86.1	Confident	82 Å²	82	48.4 Å²	48.4	44%	0.439	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	16	167	60.5	-20.2	0	0	0	113.2	K870 Y1002	K870-D1004 IonicContact NZ-OD2 2.67Å; K870-D1004 PolarHBondContact NZ-OD2 2.55Å; Y1002-D1004 WeakPolarHBondContact CB-OD1 3.33Å; Y1002-D1004 PolarHBondContact O-N 2.84Å; Y1002-D1004 VanDerWaalsContact O-N 3.13Å
1005	L	85.3	Confident	85.8	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.047	27%	0.268	C	S	.	.	S	Bend	trans	-110.5	1.2	169.5	-54.9	-179.6	0	0	0	114	S874 T978 L1001 Y1002 N1008 N1012	S874-L1005 VanDerWaalsContact CB-CD2 3.48Å; T978-L1005 HydrophobicContact CG2-CD1 3.93Å; L1001-L1005 HydrophobicContact CB-CB 4.37Å; L1001-L1005 HydrophobicContact CB-CD1 4.38Å; Y1002-L1005 WeakPolarHBondContact O-CB 3.35Å; Y1002-L1005 PolarHBondContact O-N 2.99Å; L1005-N1008 WeakPolarHBondContact CA-ND2 3.35Å; L1005-N1008 WeakPolarHBondContact CD2-ND2 3.42Å; L1005-N1012 PolarHBondContact O-ND2 3.27Å; L1005-N1012 VanDerWaalsContact O-ND2 3.12Å
1006	E	84.7	Confident	85.7	Confident	86 Å²	86	43.9 Å²	43.9	40%	0.402	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	132	170	-174.4	179.2	172.5	0	0	109	F992	F992-E1006 HydrophobicContact CB-CB 4.45Å; F992-E1006 HydrophobicContact CD2-CB 4.31Å; F992-E1006 HydrophobicContact CD2-CG 3.85Å; F992-E1006 HydrophobicContact CE2-CG 4.25Å; F992-E1006 HydrophobicContact CG-CG 4.49Å
1007	C	84.5	Confident	85.4	Confident	61 Å²	61	43.6 Å²	43.6	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	52.7	-178.3	-55.9	0	0	0	0	115	D1028 E1029 C1032	C1007-D1028 PolarHBondContact N-O 3.29Å; C1007-E1029 WeakPolarHBondContact CA-OE1 3.17Å; C1007-C1032 WeakPolarHBondContact CA-SG 3.42Å; C1007-C1032 HydrophobicContact CB-CB 3.8Å; C1007-C1032 WeakPolarHBondContact CB-SG 3.19Å; C1007-C1032 WeakPolarHBondContact SG-CA 3.45Å; C1007-C1032 WeakPolarHBondContact SG-CB 3.2Å; C1007-C1032 CovalentContact SG-SG 2.02Å; C1007-C1032 PolarHBondContact SG-SG 3.28Å
1008	N	82.9	Confident	85.2	Confident	52 Å²	52	47.4 Å²	47.4	28%	0.278	25%	0.251	S	S	.	.	S	Bend	trans	-112.7	11.3	177.8	76.1	7.6	0	0	0	114.7	L1005 V1010 N1012 E1029	L1005-N1008 WeakPolarHBondContact CA-ND2 3.35Å; L1005-N1008 WeakPolarHBondContact CD2-ND2 3.42Å; N1008-V1010 PolarHBondContact O-N 2.62Å; N1008-V1010 WeakPolarHBondContact OD1-CA 3.35Å; N1008-V1010 VanDerWaalsContact OD1-CB 3.28Å; N1008-V1010 WeakPolarHBondContact OD1-CB 3.02Å; N1008-V1010 PolarHBondContact OD1-N 3.36Å; N1008-V1010 PolarHBondContact OD1-O 2.92Å; N1008-N1012 PolarHBondContact ND2-ND2 3.34Å; N1008-N1012 VanDerWaalsContact ND2-ND2 3.12Å; N1008-N1012 PolarHBondContact OD1-ND2 3.21Å; N1008-E1029 PolarHBondContact N-OE1 2.93Å
1009	E	80.7	Confident	84.7	Confident	189 Å²	189	53.2 Å²	53.2	88%	0.883	27%	0.274	S	S	*	.	S	Bend	trans	65.6	15.4	-176.9	-52.7	-175.4	168.6	0	0	114.3	E1029	E1009-E1029 PolarHBondContact N-OE1 2.92Å; E1009-E1029 PolarHBondContact N-OE2 3.5Å
1010	V	81	Confident	83.9	Confident	47 Å²	47	53.4 Å²	53.4	29%	0.285	29%	0.29	S	S	.	.	S	Bend	trans	-124.8	134.1	178.5	-174.5	0	0	0	0	110	I976 N1008 N1012	I976-V1010 HydrophobicContact CD1-CG1 3.87Å; I976-V1010 HydrophobicContact CG1-CG1 4.06Å; I976-V1010 HydrophobicContact CG2-CG1 3.78Å; N1008-V1010 PolarHBondContact O-N 2.62Å; N1008-V1010 WeakPolarHBondContact OD1-CA 3.35Å; N1008-V1010 VanDerWaalsContact OD1-CB 3.28Å; N1008-V1010 WeakPolarHBondContact OD1-CB 3.02Å; N1008-V1010 PolarHBondContact OD1-N 3.36Å; N1008-V1010 PolarHBondContact OD1-O 2.92Å; V1010-N1012 VanDerWaalsContact C-N 3.3Å; V1010-N1012 PolarHBondContact O-N 2.93Å; V1010-N1012 PolarHBondContact O-ND2 3.2Å
1011	L	85.2	Confident	83	Confident	31 Å²	31	60.3 Å²	60.3	16%	0.162	32%	0.321	C	S	.	.			trans	-76.8	79.5	176.8	-60.9	177.2	0	0	0	110.7	K1024 E1026 E1029	L1011-K1024 HydrophobicContact CD1-CB 4.4Å; L1011-K1024 HydrophobicContact CD1-CD 3.6Å; L1011-E1026 HydrophobicContact CD1-CG 4.36Å; L1011-E1026 HydrophobicContact CD2-CB 3.94Å; L1011-E1026 HydrophobicContact CD2-CG 3.82Å; L1011-E1029 HydrophobicContact CD2-CG 4.23Å
1012	N	87.2	Confident	82.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.33	C	S	.	.			trans	-75.9	-27.8	-178.4	-55.4	-74.6	0	0	0	111.4	S874 Q906 T978 L1001 L1005 N1008 V1010 G1014 D1028	S874-N1012 WeakPolarHBondContact CB-OD1 3.47Å; S874-N1012 PolarHBondContact OG-OD1 3.34Å; Q906-N1012 PolarHBondContact NE2-O 3.28Å; T978-N1012 HydrophobicContact CG2-CB 3.9Å; T978-N1012 PolarHBondContact OG1-O 2.87Å; L1001-N1012 HydrophobicContact CD1-CB 3.66Å; L1001-N1012 HydrophobicContact CD2-CB 4.16Å; L1005-N1012 PolarHBondContact O-ND2 3.27Å; L1005-N1012 VanDerWaalsContact O-ND2 3.12Å; N1008-N1012 PolarHBondContact ND2-ND2 3.34Å; N1008-N1012 VanDerWaalsContact ND2-ND2 3.12Å; N1008-N1012 PolarHBondContact OD1-ND2 3.21Å; V1010-N1012 VanDerWaalsContact C-N 3.3Å; V1010-N1012 PolarHBondContact O-N 2.93Å; V1010-N1012 PolarHBondContact O-ND2 3.2Å; N1012-G1014 VanDerWaalsContact C-N 3.27Å; N1012-G1014 PolarHBondContact O-N 2.96Å; N1012-D1028 VanDerWaalsContact CA-OD2 3.31Å; N1012-D1028 WeakPolarHBondContact CA-OD2 3.45Å; N1012-D1028 VanDerWaalsContact CB-OD2 3.28Å; N1012-D1028 WeakPolarHBondContact CB-OD2 3.35Å; N1012-D1028 PolarHBondContact N-OD2 2.96Å
1013	C	88.4	Confident	82.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-66	-22.8	173.9	-72.2	0	0	0	0	114.1	C994 T997 D1025 D1028	C994-C1013 HydrophobicContact CB-CB 3.7Å; C994-C1013 WeakPolarHBondContact CB-SG 3.4Å; C994-C1013 WeakPolarHBondContact SG-CA 3.17Å; C994-C1013 WeakPolarHBondContact SG-CB 3.28Å; C994-C1013 CovalentContact SG-SG 2.03Å; C994-C1013 PolarHBondContact SG-SG 2.92Å; T997-C1013 WeakPolarHBondContact CG2-O 3.35Å; T997-C1013 PolarHBondContact OG1-O 3.12Å; C1013-D1025 HydrophobicContact CB-CB 3.74Å; C1013-D1028 PolarHBondContact N-OD2 3.33Å
1014	G	84.3	Confident	82.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.			trans	81.8	-121.5	168.5	0	0	0	0	0	114.8	N1012 K1024 D1025	N1012-G1014 VanDerWaalsContact C-N 3.27Å; N1012-G1014 PolarHBondContact O-N 2.96Å; G1014-K1024 WeakPolarHBondContact O-CA 3.28Å; G1014-D1025 PolarHBondContact O-N 3.14Å
1015	M	84.3	Confident	82.3	Confident	22 Å²	22	59.7 Å²	59.7	11%	0.108	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.6	-174.1	-61.4	-165.8	81.4	0	0	113.6	Y908 P949 T997 W1022 L1023 K1024	Y908-M1015 HydrophobicContact CD2-CG 3.86Å; Y908-M1015 HydrophobicContact CD2-SD 4Å; Y908-M1015 HydrophobicContact CE2-CG 3.66Å; Y908-M1015 HydrophobicContact CE2-SD 3.51Å; Y908-M1015 VanDerWaalsContact CE2-SD 3.51Å; P949-M1015 HydrophobicContact CB-CB 4.31Å; P949-M1015 HydrophobicContact CG-CB 4.18Å; T997-M1015 WeakPolarHBondContact CG2-O 3.25Å; M1015-W1022 HydrophobicContact CB-CE3 4.28Å; M1015-W1022 HydrophobicContact CE-CB 3.76Å; M1015-L1023 CarbonylContact C-O 3.57Å; M1015-L1023 WeakPolarHBondContact CA-O 3.24Å; M1015-L1023 WeakPolarHBondContact CB-O 3.47Å; M1015-K1024 HydrophobicContact CE-CG 4.28Å
1016	Y	84.1	Confident	82.3	Confident	44 Å²	44	64.4 Å²	64.4	17%	0.173	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	159	175.3	69	-78.7	0	0	0	111.2	N996 K1018 W1022 L1023 K1024 D1025	N996-Y1016 HydrophobicContact CB-CD1 3.45Å; N996-Y1016 VanDerWaalsContact CB-CD1 3.45Å; N996-Y1016 HydrophobicContact CB-CD2 3.76Å; N996-Y1016 HydrophobicContact CB-CE1 3.55Å; N996-Y1016 HydrophobicContact CB-CE2 3.86Å; N996-Y1016 HydrophobicContact CB-CG 3.54Å; Y1016-K1018 HydrophobicContact CD2-CB 4.2Å; Y1016-K1018 HydrophobicContact CE2-CB 3.85Å; Y1016-K1018 HydrophobicContact CE2-CD 4.07Å; Y1016-W1022 WeakPolarHBondContact O-CA 3.16Å; Y1016-L1023 HydrophobicContact CD1-CB 4.25Å; Y1016-L1023 HydrophobicContact CE1-CB 3.8Å; Y1016-L1023 HydrophobicContact CE2-CB 4.33Å; Y1016-L1023 HydrophobicContact CE2-CD1 4.13Å; Y1016-L1023 PolarHBondContact N-O 2.75Å; Y1016-L1023 PolarHBondContact O-N 3.32Å; Y1016-K1024 WeakPolarHBondContact CE1-O 3.19Å; Y1016-D1025 HydrophobicContact CD1-CB 3.93Å; Y1016-D1025 HydrophobicContact CE1-CB 4.36Å
1017	Q	82.3	Confident	82.5	Confident	65 Å²	65	61 Å²	61	30%	0.304	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.9	175.7	-164.2	-176.8	40.5	0	0	110.7	G1020 K1021 W1022	Q1017-G1020 PolarHBondContact NE2-O 2.97Å; Q1017-K1021 WeakPolarHBondContact CA-O 3.02Å; Q1017-W1022 HydrophobicContact CB-CD2 4.37Å; Q1017-W1022 HydrophobicContact CB-CE3 4.13Å; Q1017-W1022 HydrophobicContact CB-CH2 4.34Å; Q1017-W1022 HydrophobicContact CB-CZ3 4.11Å
1018	K	80.5	Confident	82.6	Confident	108 Å²	108	58.1 Å²	58.1	47%	0.47	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130.2	174.4	-176	171	-179	172	0	109.8	Y1016 G1020 K1021 L1023	Y1016-K1018 HydrophobicContact CD2-CB 4.2Å; Y1016-K1018 HydrophobicContact CE2-CB 3.85Å; Y1016-K1018 HydrophobicContact CE2-CD 4.07Å; K1018-G1020 PolarHBondContact O-N 3.04Å; K1018-K1021 PolarHBondContact N-O 3.34Å; K1018-K1021 PolarHBondContact O-N 3.07Å; K1018-K1021 VanDerWaalsContact O-O 3.06Å; K1018-L1023 HydrophobicContact CB-CD1 3.87Å; K1018-L1023 HydrophobicContact CD-CD1 4.06Å; K1018-L1023 HydrophobicContact CG-CD1 4.44Å
1019	D	78.6	Confident	82.8	Confident	158 Å²	158	57.7 Å²	57.7	85%	0.845	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.9	-178	-50.1	-41.5	0	0	0	112.6	K1021	D1019-K1021 PolarHBondContact O-N 2.79Å
1020	G	72.3	Confident	82.8	Confident	53 Å²	53	52 Å²	52	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-19.4	-175	0	0	0	0	0	115.3	Q1017 K1018	Q1017-G1020 PolarHBondContact NE2-O 2.97Å; K1018-G1020 PolarHBondContact O-N 3.04Å
1021	K	72.7	Confident	82.3	Confident	145 Å²	145	53.5 Å²	53.5	63%	0.63	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.4	-176.2	-174.9	176.6	178.4	-177.3	0	112.1	Q1017 K1018 D1019 L1023	Q1017-K1021 WeakPolarHBondContact CA-O 3.02Å; K1018-K1021 PolarHBondContact N-O 3.34Å; K1018-K1021 PolarHBondContact O-N 3.07Å; K1018-K1021 VanDerWaalsContact O-O 3.06Å; D1019-K1021 PolarHBondContact O-N 2.79Å; K1021-L1023 HydrophobicContact CD-CD2 4.27Å; K1021-L1023 HydrophobicContact CG-CD2 4.39Å
1022	W	75.7	Confident	81.7	Confident	51 Å²	51	53.9 Å²	53.9	19%	0.193	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.3	168.7	-67.9	103.4	0	0	0	111.3	L948 P949 M1015 Y1016 Q1017	L948-W1022 HydrophobicContact CD2-CZ2 3.72Å; P949-W1022 HydrophobicContact CG-CE3 3.93Å; P949-W1022 HydrophobicContact CG-CH2 3.78Å; P949-W1022 HydrophobicContact CG-CZ3 3.44Å; P949-W1022 VanDerWaalsContact CG-CZ3 3.44Å; M1015-W1022 HydrophobicContact CB-CE3 4.28Å; M1015-W1022 HydrophobicContact CE-CB 3.76Å; Y1016-W1022 WeakPolarHBondContact O-CA 3.16Å; Q1017-W1022 HydrophobicContact CB-CD2 4.37Å; Q1017-W1022 HydrophobicContact CB-CE3 4.13Å; Q1017-W1022 HydrophobicContact CB-CH2 4.34Å; Q1017-W1022 HydrophobicContact CB-CZ3 4.11Å
1023	L	82.5	Confident	80.3	Confident	55 Å²	55	57.9 Å²	57.9	29%	0.288	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.7	175.6	-61.4	-178.3	0	0	0	109.6	M1015 Y1016 K1018 K1021	M1015-L1023 CarbonylContact C-O 3.57Å; M1015-L1023 WeakPolarHBondContact CA-O 3.24Å; M1015-L1023 WeakPolarHBondContact CB-O 3.47Å; Y1016-L1023 HydrophobicContact CD1-CB 4.25Å; Y1016-L1023 HydrophobicContact CE1-CB 3.8Å; Y1016-L1023 HydrophobicContact CE2-CB 4.33Å; Y1016-L1023 HydrophobicContact CE2-CD1 4.13Å; Y1016-L1023 PolarHBondContact N-O 2.75Å; Y1016-L1023 PolarHBondContact O-N 3.32Å; K1018-L1023 HydrophobicContact CB-CD1 3.87Å; K1018-L1023 HydrophobicContact CD-CD1 4.06Å; K1018-L1023 HydrophobicContact CG-CD1 4.44Å; K1021-L1023 HydrophobicContact CD-CD2 4.27Å; K1021-L1023 HydrophobicContact CG-CD2 4.39Å
1024	K	83.7	Confident	78.6	Confident	77 Å²	77	64.3 Å²	64.3	34%	0.335	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.6	171.7	-56.6	-164.1	-173.7	-158.6	0	109.5	Y908 N910 L1011 G1014 M1015 Y1016 E1026	Y908-K1024 WeakPolarHBondContact OH-CE 3.48Å; Y908-K1024 PolarHBondContact OH-NZ 3Å; N910-K1024 PolarHBondContact OD1-NZ 2.87Å; L1011-K1024 HydrophobicContact CD1-CB 4.4Å; L1011-K1024 HydrophobicContact CD1-CD 3.6Å; G1014-K1024 WeakPolarHBondContact O-CA 3.28Å; M1015-K1024 HydrophobicContact CE-CG 4.28Å; Y1016-K1024 WeakPolarHBondContact CE1-O 3.19Å; K1024-E1026 HydrophobicContact CB-CG 4.06Å
1025	D	86.5	Confident	77	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.373	C	S	.	.			trans	-92.6	113.9	170.2	-158.5	8.4	0	0	0	107.5	N996 T997 C1013 G1014 Y1016 S1027	N996-D1025 WeakPolarHBondContact CB-OD1 3.46Å; N996-D1025 PolarHBondContact N-OD2 2.89Å; N996-D1025 PolarHBondContact ND2-OD1 3.23Å; T997-D1025 WeakPolarHBondContact CB-OD2 3.05Å; T997-D1025 HydrophobicContact CG2-CB 3.91Å; T997-D1025 WeakPolarHBondContact CG2-OD2 3.26Å; T997-D1025 PolarHBondContact N-OD2 2.91Å; T997-D1025 PolarHBondContact OG1-OD2 3.32Å; C1013-D1025 HydrophobicContact CB-CB 3.74Å; G1014-D1025 PolarHBondContact O-N 3.14Å; Y1016-D1025 HydrophobicContact CD1-CB 3.93Å; Y1016-D1025 HydrophobicContact CE1-CB 4.36Å; D1025-S1027 PolarHBondContact OD1-OG 2.8Å
1026	E	86.6	Confident	75.4	Confident	109 Å²	109	72.4 Å²	72.4	51%	0.509	41%	0.405	S	S	.	.			trans	-114.8	13.7	-171.7	-50.2	-173.5	159.1	0	0	111.9	L1011 K1024 D1028 E1029 A1030	L1011-E1026 HydrophobicContact CD1-CG 4.36Å; L1011-E1026 HydrophobicContact CD2-CB 3.94Å; L1011-E1026 HydrophobicContact CD2-CG 3.82Å; K1024-E1026 HydrophobicContact CB-CG 4.06Å; E1026-D1028 VanDerWaalsContact C-N 3.27Å; E1026-D1028 PolarHBondContact O-N 2.91Å; E1026-E1029 PolarHBondContact O-N 2.79Å; E1026-E1029 VanDerWaalsContact O-N 3.08Å; E1026-A1030 WeakPolarHBondContact O-CB 3.19Å; E1026-A1030 PolarHBondContact O-N 2.76Å
1027	S	88.5	Confident	73.9	Confident	14 Å²	14	73.4 Å²	73.4	10%	0.098	42%	0.418	C	S	.	.	H	α-helix	trans	-62.2	-30.3	-173.9	-61.4	0	0	0	0	114	F992 E995 D1025 E1029	F992-S1027 VanDerWaalsContact CZ-O 3.3Å; F992-S1027 WeakPolarHBondContact CZ-O 3.38Å; E995-S1027 WeakPolarHBondContact CB-OG 3.35Å; D1025-S1027 PolarHBondContact OD1-OG 2.8Å; S1027-E1029 VanDerWaalsContact C-N 3.26Å; S1027-E1029 PolarHBondContact O-N 2.88Å
1028	D	86.8	Confident	72.8	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.005	43%	0.432	C	S	.	.	H	α-helix	trans	-68.8	-20.3	175.5	48.9	-15.3	0	0	0	113.7	F992 L1001 C1007 N1012 C1013 E1026	F992-D1028 HydrophobicContact CD1-CB 4.16Å; F992-D1028 HydrophobicContact CE1-CB 3.9Å; F992-D1028 HydrophobicContact CZ-CB 4.47Å; L1001-D1028 HydrophobicContact CD1-CB 4.15Å; C1007-D1028 PolarHBondContact N-O 3.29Å; N1012-D1028 VanDerWaalsContact CA-OD2 3.31Å; N1012-D1028 WeakPolarHBondContact CA-OD2 3.45Å; N1012-D1028 VanDerWaalsContact CB-OD2 3.28Å; N1012-D1028 WeakPolarHBondContact CB-OD2 3.35Å; N1012-D1028 PolarHBondContact N-OD2 2.96Å; C1013-D1028 PolarHBondContact N-OD2 3.33Å; E1026-D1028 VanDerWaalsContact C-N 3.27Å; E1026-D1028 PolarHBondContact O-N 2.91Å
1029	E	87.2	Confident	71.9	Confident	43 Å²	43	76.9 Å²	76.9	20%	0.201	43%	0.434	C	S	.	.	H	α-helix	trans	-111.3	-22.1	177.9	-67.6	-62	142.7	0	0	113.4	C1007 N1008 E1009 L1011 E1026 S1027 S1031 C1032	C1007-E1029 WeakPolarHBondContact CA-OE1 3.17Å; N1008-E1029 PolarHBondContact N-OE1 2.93Å; E1009-E1029 PolarHBondContact N-OE1 2.92Å; E1009-E1029 PolarHBondContact N-OE2 3.5Å; L1011-E1029 HydrophobicContact CD2-CG 4.23Å; E1026-E1029 PolarHBondContact O-N 2.79Å; E1026-E1029 VanDerWaalsContact O-N 3.08Å; S1027-E1029 VanDerWaalsContact C-N 3.26Å; S1027-E1029 PolarHBondContact O-N 2.88Å; E1029-S1031 VanDerWaalsContact C-N 3.3Å; E1029-S1031 PolarHBondContact O-N 2.83Å; E1029-C1032 VanDerWaalsContact C-SG 3.6Å; E1029-C1032 VanDerWaalsContact CA-SG 3.56Å; E1029-C1032 WeakPolarHBondContact O-CB 3.4Å; E1029-C1032 PolarHBondContact O-N 3.4Å; E1029-C1032 PolarHBondContact O-SG 3.38Å
1030	A	81.2	Confident	71.2	Confident	69 Å²	69	75.3 Å²	75.3	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-60.6	-33.7	-175.4	0	0	0	0	0	114.1	E1026	E1026-A1030 WeakPolarHBondContact O-CB 3.19Å; E1026-A1030 PolarHBondContact O-N 2.76Å
1031	S	70.5	Confident	70.9	Confident	78 Å²	78	75.4 Å²	75.4	55%	0.545	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-82.7	-9.2	-176.3	-64.3	0	0	0	0	114.2	E1029 S1033	E1029-S1031 VanDerWaalsContact C-N 3.3Å; E1029-S1031 PolarHBondContact O-N 2.83Å; S1031-S1033 PolarHBondContact O-N 2.95Å; S1031-S1033 VanDerWaalsContact O-N 3.11Å
1032	C	71.8	Confident	70.9	Confident	40 Å²	40	73.1 Å²	73.1	27%	0.27	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-73.7	-8	-167.7	-51.5	0	0	0	0	114.5	C1007 E1029 L1034	C1007-C1032 WeakPolarHBondContact CA-SG 3.42Å; C1007-C1032 HydrophobicContact CB-CB 3.8Å; C1007-C1032 WeakPolarHBondContact CB-SG 3.19Å; C1007-C1032 WeakPolarHBondContact SG-CA 3.45Å; C1007-C1032 WeakPolarHBondContact SG-CB 3.2Å; C1007-C1032 CovalentContact SG-SG 2.02Å; C1007-C1032 PolarHBondContact SG-SG 3.28Å; E1029-C1032 VanDerWaalsContact C-SG 3.6Å; E1029-C1032 VanDerWaalsContact CA-SG 3.56Å; E1029-C1032 WeakPolarHBondContact O-CB 3.4Å; E1029-C1032 PolarHBondContact O-N 3.4Å; E1029-C1032 PolarHBondContact O-SG 3.38Å; C1032-L1034 PolarHBondContact O-N 2.02Å; C1032-L1034 VanDerWaalsContact O-N 3.12Å
1033	S	57.1	Low	71.1	Confident	84 Å²	84	75.4 Å²	75.4	59%	0.587	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-67.1	-7.4	-178.9	60.2	0	0	0	0	115.5	S1031 S1037	S1031-S1033 PolarHBondContact O-N 2.95Å; S1031-S1033 VanDerWaalsContact O-N 3.11Å; S1033-S1037 PolarHBondContact O-OG 2.96Å
1034	L	52.9	Low	71.1	Confident	135 Å²	135	74.6 Å²	74.6	71%	0.707	43%	0.432	S	S	*	.	H	α-helix	trans	-79.9	-15.7	-179.3	-123	71.2	0	0	0	115	C1032	C1032-L1034 PolarHBondContact O-N 2.02Å; C1032-L1034 VanDerWaalsContact O-N 3.12Å
1035	G	51	Low	71.2	Confident	44 Å²	44	74.2 Å²	74.2	45%	0.454	44%	0.436	S	S	.	.	H	α-helix	trans	-73.7	-42.7	178.2	0	0	0	0	0	113.9	N1039	G1035-N1039 PolarHBondContact O-ND2 2.91Å
1036	L	50.2	Low	71.2	Confident	147 Å²	147	76 Å²	76	77%	0.77	45%	0.454	S	S	*	.	H	α-helix	trans	-81.3	-37.1	-176.6	-127.7	74.4	0	0	0	112.6	N1039 L1040	L1036-N1039 PolarHBondContact O-N 2.77Å; L1036-L1040 VanDerWaalsContact O-CB 3.26Å; L1036-L1040 WeakPolarHBondContact O-CB 3.3Å; L1036-L1040 PolarHBondContact O-N 2.8Å
1037	S	53.6	Low	71.4	Confident	65 Å²	65	75.5 Å²	75.5	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-64.9	-41.8	-179	51.5	0	0	0	0	112.6	S1033 L1040 A1041	S1033-S1037 PolarHBondContact O-OG 2.96Å; S1037-L1040 PolarHBondContact O-N 2.96Å; S1037-A1041 VanDerWaalsContact O-CB 3.22Å; S1037-A1041 WeakPolarHBondContact O-CB 3.39Å; S1037-A1041 PolarHBondContact O-N 3Å
1038	Y	59.4	Low	71.5	Confident	151 Å²	151	79.6 Å²	79.6	59%	0.592	47%	0.474	S	S	*	.	H	α-helix	trans	-61.8	-49.5	174.6	-173.1	-98.4	0	0	0	111.7	L1040 A1041 H1042	Y1038-L1040 PolarHBondContact O-N 3.37Å; Y1038-A1041 PolarHBondContact O-N 3.02Å; Y1038-H1042 AromaticContact CD1-CD2 3.73Å; Y1038-H1042 AromaticContact CD2-CD2 3.91Å; Y1038-H1042 AromaticContact CE1-CD2 3.46Å; Y1038-H1042 VanDerWaalsContact CE1-CD2 3.46Å; Y1038-H1042 WeakPolarHBondContact CE1-CD2 3.35Å; Y1038-H1042 AromaticContact CE1-NE2 3.79Å; Y1038-H1042 AromaticContact CE2-CD2 3.66Å; Y1038-H1042 AromaticContact CE2-NE2 3.38Å; Y1038-H1042 WeakPolarHBondContact CE2-NE2 3.3Å; Y1038-H1042 AromaticContact CG-CD2 3.96Å; Y1038-H1042 AromaticContact CZ-CD2 3.44Å; Y1038-H1042 VanDerWaalsContact CZ-CD2 3.44Å; Y1038-H1042 AromaticContact CZ-NE2 3.24Å; Y1038-H1042 WeakPolarHBondContact O-CB 3.19Å; Y1038-H1042 PolarHBondContact O-CD2 2.67Å; Y1038-H1042 VanDerWaalsContact O-CD2 3.31Å; Y1038-H1042 PolarHBondContact O-N 2.91Å; Y1038-H1042 PolarHBondContact OH-NE2 3.13Å
1039	N	61.1	Low	71.7	Confident	95 Å²	95	84.9 Å²	84.9	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-41.6	178.7	-77.6	-67.3	0	0	0	112.3	G1035 L1036 H1042 I1043	G1035-N1039 PolarHBondContact O-ND2 2.91Å; L1036-N1039 PolarHBondContact O-N 2.77Å; N1039-H1042 PolarHBondContact O-N 3Å; N1039-I1043 WeakPolarHBondContact O-CB 3.41Å; N1039-I1043 WeakPolarHBondContact O-CD1 3.05Å; N1039-I1043 VanDerWaalsContact O-CG1 3.23Å; N1039-I1043 WeakPolarHBondContact O-CG1 3.31Å; N1039-I1043 PolarHBondContact O-N 2.97Å
1040	L	62.9	Low	72	Confident	125 Å²	125	85 Å²	85	65%	0.654	51%	0.511	S	S	*	.	H	α-helix	trans	-68.8	-34.3	178.2	-160.4	71.9	0	0	0	112	L1036 S1037 Y1038 G1044	L1036-L1040 VanDerWaalsContact O-CB 3.26Å; L1036-L1040 WeakPolarHBondContact O-CB 3.3Å; L1036-L1040 PolarHBondContact O-N 2.8Å; S1037-L1040 PolarHBondContact O-N 2.96Å; Y1038-L1040 PolarHBondContact O-N 3.37Å; L1040-G1044 PolarHBondContact O-N 3.21Å
1041	A	67.7	Low	72.5	Confident	55 Å²	55	86.2 Å²	86.2	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-39.4	171.6	0	0	0	0	0	112.4	S1037 Y1038 G1044 T1045	S1037-A1041 VanDerWaalsContact O-CB 3.22Å; S1037-A1041 WeakPolarHBondContact O-CB 3.39Å; S1037-A1041 PolarHBondContact O-N 3Å; Y1038-A1041 PolarHBondContact O-N 3.02Å; A1041-G1044 PolarHBondContact O-N 2.77Å; A1041-T1045 WeakPolarHBondContact O-CB 3.32Å; A1041-T1045 WeakPolarHBondContact O-CG2 3.42Å; A1041-T1045 PolarHBondContact O-N 2.76Å; A1041-T1045 PolarHBondContact O-OG1 3.2Å
1042	H	72.3	Confident	73.6	Confident	97 Å²	97	87.2 Å²	87.2	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-70.7	-36.1	175.1	-85.9	-71.4	0	0	0	113.2	Y1038 N1039 T1045 G1046	Y1038-H1042 AromaticContact CD1-CD2 3.73Å; Y1038-H1042 AromaticContact CD2-CD2 3.91Å; Y1038-H1042 AromaticContact CE1-CD2 3.46Å; Y1038-H1042 VanDerWaalsContact CE1-CD2 3.46Å; Y1038-H1042 WeakPolarHBondContact CE1-CD2 3.35Å; Y1038-H1042 AromaticContact CE1-NE2 3.79Å; Y1038-H1042 AromaticContact CE2-CD2 3.66Å; Y1038-H1042 AromaticContact CE2-NE2 3.38Å; Y1038-H1042 WeakPolarHBondContact CE2-NE2 3.3Å; Y1038-H1042 AromaticContact CG-CD2 3.96Å; Y1038-H1042 AromaticContact CZ-CD2 3.44Å; Y1038-H1042 VanDerWaalsContact CZ-CD2 3.44Å; Y1038-H1042 AromaticContact CZ-NE2 3.24Å; Y1038-H1042 WeakPolarHBondContact O-CB 3.19Å; Y1038-H1042 PolarHBondContact O-CD2 2.67Å; Y1038-H1042 VanDerWaalsContact O-CD2 3.31Å; Y1038-H1042 PolarHBondContact O-N 2.91Å; Y1038-H1042 PolarHBondContact OH-NE2 3.13Å; N1039-H1042 PolarHBondContact O-N 3Å; H1042-T1045 WeakPolarHBondContact CA-OG1 3.29Å; H1042-T1045 PolarHBondContact O-OG1 3.38Å; H1042-G1046 PolarHBondContact O-N 3.48Å
1043	I	78.6	Confident	74.6	Confident	99 Å²	99	90.9 Å²	90.9	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-65.2	-45.2	169.3	-69.4	163.6	0	0	0	110.1	N1039 G1046 I1047	N1039-I1043 WeakPolarHBondContact O-CB 3.41Å; N1039-I1043 WeakPolarHBondContact O-CD1 3.05Å; N1039-I1043 VanDerWaalsContact O-CG1 3.23Å; N1039-I1043 WeakPolarHBondContact O-CG1 3.31Å; N1039-I1043 PolarHBondContact O-N 2.97Å; I1043-G1046 PolarHBondContact O-N 2.97Å; I1043-I1047 HydrophobicContact CG2-CD1 3.71Å; I1043-I1047 HydrophobicContact CG2-CG1 4.44Å; I1043-I1047 WeakPolarHBondContact O-CB 3.44Å; I1043-I1047 VanDerWaalsContact O-CG1 3.27Å; I1043-I1047 WeakPolarHBondContact O-CG1 3.33Å; I1043-I1047 PolarHBondContact O-N 2.53Å
1044	G	82.6	Confident	76.3	Confident	38 Å²	38	92.2 Å²	92.2	39%	0.392	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-46.4	178.3	0	0	0	0	0	113.4	L1040 A1041 I1047 L1048	L1040-G1044 PolarHBondContact O-N 3.21Å; A1041-G1044 PolarHBondContact O-N 2.77Å; G1044-I1047 PolarHBondContact O-N 2.99Å; G1044-L1048 VanDerWaalsContact O-CB 3.32Å; G1044-L1048 WeakPolarHBondContact O-CB 2.96Å; G1044-L1048 PolarHBondContact O-N 3.46Å
1045	T	85.6	Confident	78.2	Confident	69 Å²	69	91.2 Å²	91.2	42%	0.423	52%	0.517	S	S	.	.	H	α-helix	trans	-68.8	-35.9	174.6	52.9	0	0	0	0	112.4	A1041 H1042 L1048 L1049	A1041-T1045 WeakPolarHBondContact O-CB 3.32Å; A1041-T1045 WeakPolarHBondContact O-CG2 3.42Å; A1041-T1045 PolarHBondContact O-N 2.76Å; A1041-T1045 PolarHBondContact O-OG1 3.2Å; H1042-T1045 WeakPolarHBondContact CA-OG1 3.29Å; H1042-T1045 PolarHBondContact O-OG1 3.38Å; T1045-L1048 PolarHBondContact O-N 2.8Å; T1045-L1049 WeakPolarHBondContact O-CB 3.47Å; T1045-L1049 VanDerWaalsContact O-CG 3.3Å; T1045-L1049 WeakPolarHBondContact O-CG 3.31Å; T1045-L1049 PolarHBondContact O-N 2.9Å
1046	G	87.4	Confident	80.2	Confident	38 Å²	38	91.1 Å²	91.1	39%	0.392	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-45	172.5	0	0	0	0	0	112.6	H1042 I1043 L1049 A1050	H1042-G1046 PolarHBondContact O-N 3.48Å; I1043-G1046 PolarHBondContact O-N 2.97Å; G1046-L1049 PolarHBondContact O-N 2.89Å; G1046-A1050 VanDerWaalsContact O-CB 3.3Å; G1046-A1050 WeakPolarHBondContact O-CB 3.2Å; G1046-A1050 PolarHBondContact O-N 3.12Å
1047	I	90.6	Very high	82.2	Confident	98 Å²	98	88.2 Å²	88.2	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-43.4	173.3	-69.6	167.3	0	0	0	110.6	I1043 G1044 A1050 L1051	I1043-I1047 HydrophobicContact CG2-CD1 3.71Å; I1043-I1047 HydrophobicContact CG2-CG1 4.44Å; I1043-I1047 WeakPolarHBondContact O-CB 3.44Å; I1043-I1047 VanDerWaalsContact O-CG1 3.27Å; I1043-I1047 WeakPolarHBondContact O-CG1 3.33Å; I1043-I1047 PolarHBondContact O-N 2.53Å; G1044-I1047 PolarHBondContact O-N 2.99Å; I1047-A1050 PolarHBondContact O-N 3.5Å; I1047-L1051 HydrophobicContact CG2-CD1 3.91Å; I1047-L1051 HydrophobicContact CG2-CG 4.37Å; I1047-L1051 WeakPolarHBondContact O-CB 3.37Å; I1047-L1051 VanDerWaalsContact O-CG 3.3Å; I1047-L1051 WeakPolarHBondContact O-CG 3.44Å; I1047-L1051 PolarHBondContact O-N 2.68Å
1048	L	90.4	Very high	84	Confident	100 Å²	100	87.6 Å²	87.6	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-44.2	178	-175.1	63.8	0	0	0	111.8	G1044 T1045 L1051 I1052	G1044-L1048 VanDerWaalsContact O-CB 3.32Å; G1044-L1048 WeakPolarHBondContact O-CB 2.96Å; G1044-L1048 PolarHBondContact O-N 3.46Å; T1045-L1048 PolarHBondContact O-N 2.8Å; L1048-L1051 PolarHBondContact O-N 2.92Å; L1048-I1052 HydrophobicContact CD1-CD1 4.31Å; L1048-I1052 HydrophobicContact CG-CD1 3.98Å; L1048-I1052 WeakPolarHBondContact O-CB 3.37Å; L1048-I1052 VanDerWaalsContact O-CG1 3.24Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.4Å; L1048-I1052 PolarHBondContact O-N 2.6Å
1049	L	92.2	Very high	85.5	Confident	112 Å²	112	84.4 Å²	84.4	59%	0.586	50%	0.497	S	S	*	.	H	α-helix	trans	-64.8	-40	174.9	-75.1	169.4	0	0	0	111.8	T1045 G1046 I1052 L1053	T1045-L1049 WeakPolarHBondContact O-CB 3.47Å; T1045-L1049 VanDerWaalsContact O-CG 3.3Å; T1045-L1049 WeakPolarHBondContact O-CG 3.31Å; T1045-L1049 PolarHBondContact O-N 2.9Å; G1046-L1049 PolarHBondContact O-N 2.89Å; L1049-I1052 PolarHBondContact O-N 3.1Å; L1049-L1053 WeakPolarHBondContact O-CB 3.22Å; L1049-L1053 PolarHBondContact O-N 3.33Å
1050	A	92.3	Very high	86.8	Confident	47 Å²	47	86.6 Å²	86.6	39%	0.388	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-40.9	174.5	0	0	0	0	0	112	G1046 I1047 L1053 L1054	G1046-A1050 VanDerWaalsContact O-CB 3.3Å; G1046-A1050 WeakPolarHBondContact O-CB 3.2Å; G1046-A1050 PolarHBondContact O-N 3.12Å; I1047-A1050 PolarHBondContact O-N 3.5Å; A1050-L1053 PolarHBondContact O-N 3.36Å; A1050-L1054 WeakPolarHBondContact O-CB 3.27Å; A1050-L1054 VanDerWaalsContact O-CG 3.31Å; A1050-L1054 WeakPolarHBondContact O-CG 3.39Å; A1050-L1054 PolarHBondContact O-N 2.9Å
1051	L	93.2	Very high	88.1	Confident	93 Å²	93	84.8 Å²	84.8	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-39.8	174.2	-73.4	171.5	0	0	0	112	I1047 L1048 L1054 L1055	I1047-L1051 HydrophobicContact CG2-CD1 3.91Å; I1047-L1051 HydrophobicContact CG2-CG 4.37Å; I1047-L1051 WeakPolarHBondContact O-CB 3.37Å; I1047-L1051 VanDerWaalsContact O-CG 3.3Å; I1047-L1051 WeakPolarHBondContact O-CG 3.44Å; I1047-L1051 PolarHBondContact O-N 2.68Å; L1048-L1051 PolarHBondContact O-N 2.92Å; L1051-L1054 PolarHBondContact O-N 2.92Å; L1051-L1055 VanDerWaalsContact O-CB 3.3Å; L1051-L1055 WeakPolarHBondContact O-CB 3.38Å; L1051-L1055 VanDerWaalsContact O-CG 3.28Å; L1051-L1055 WeakPolarHBondContact O-CG 3.44Å; L1051-L1055 PolarHBondContact O-N 3.02Å
1052	I	93.6	Very high	89	Confident	100 Å²	100	89.9 Å²	89.9	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-40.1	173.9	-71	165	0	0	0	110.8	L1048 L1049 G1056	L1048-I1052 HydrophobicContact CD1-CD1 4.31Å; L1048-I1052 HydrophobicContact CG-CD1 3.98Å; L1048-I1052 WeakPolarHBondContact O-CB 3.37Å; L1048-I1052 VanDerWaalsContact O-CG1 3.24Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.4Å; L1048-I1052 PolarHBondContact O-N 2.6Å; L1049-I1052 PolarHBondContact O-N 3.1Å; I1052-G1056 PolarHBondContact O-N 2.92Å
1053	L	92.9	Very high	89.6	Confident	117 Å²	117	91.7 Å²	91.7	61%	0.613	50%	0.502	S	S	*	.	H	α-helix	trans	-65.4	-44.2	173.8	-100.7	165.6	0	0	0	112	L1049 A1050 G1056 I1057	L1049-L1053 WeakPolarHBondContact O-CB 3.22Å; L1049-L1053 PolarHBondContact O-N 3.33Å; A1050-L1053 PolarHBondContact O-N 3.36Å; L1053-G1056 PolarHBondContact O-N 3.01Å; L1053-I1057 WeakPolarHBondContact O-CB 3.41Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.22Å; L1053-I1057 VanDerWaalsContact O-CG1 3.23Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.46Å; L1053-I1057 PolarHBondContact O-N 2.87Å
1054	L	92.6	Very high	89.8	Confident	111 Å²	111	93.1 Å²	93.1	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-65.1	-39.5	176.4	-75.5	169.9	0	0	0	112	A1050 L1051 I1057 A1058	A1050-L1054 WeakPolarHBondContact O-CB 3.27Å; A1050-L1054 VanDerWaalsContact O-CG 3.31Å; A1050-L1054 WeakPolarHBondContact O-CG 3.39Å; A1050-L1054 PolarHBondContact O-N 2.9Å; L1051-L1054 PolarHBondContact O-N 2.92Å; L1054-I1057 PolarHBondContact O-N 3.41Å; L1054-A1058 WeakPolarHBondContact O-CB 3.49Å; L1054-A1058 PolarHBondContact O-N 2.92Å
1055	L	93	Very high	89.5	Confident	115 Å²	115	95.2 Å²	95.2	60%	0.602	50%	0.5	S	S	*	.	H	α-helix	trans	-66.8	-39.2	172.1	-75.5	169.1	0	0	0	111.8	L1051 A1058 C1059	L1051-L1055 VanDerWaalsContact O-CB 3.3Å; L1051-L1055 WeakPolarHBondContact O-CB 3.38Å; L1051-L1055 VanDerWaalsContact O-CG 3.28Å; L1051-L1055 WeakPolarHBondContact O-CG 3.44Å; L1051-L1055 PolarHBondContact O-N 3.02Å; L1055-A1058 PolarHBondContact O-N 3.45Å; L1055-C1059 VanDerWaalsContact O-CB 3.31Å; L1055-C1059 WeakPolarHBondContact O-CB 3.46Å; L1055-C1059 PolarHBondContact O-N 2.97Å
1056	G	92.2	Very high	89.1	Confident	41 Å²	41	97.1 Å²	97.1	42%	0.423	50%	0.501	S	S	.	.	H	α-helix	trans	-63.5	-42.7	174	0	0	0	0	0	112.4	I1052 L1053 Y1060	I1052-G1056 PolarHBondContact O-N 2.92Å; L1053-G1056 PolarHBondContact O-N 3.01Å; G1056-Y1060 VanDerWaalsContact O-CB 3.26Å; G1056-Y1060 WeakPolarHBondContact O-CB 3.12Å; G1056-Y1060 PolarHBondContact O-N 3.34Å
1057	I	92.6	Very high	88.5	Confident	86 Å²	86	101.4 Å²	101.4	44%	0.441	51%	0.508	S	S	.	.	H	α-helix	trans	-67.2	-41.7	174.2	-69.6	163.9	0	0	0	110.5	L1053 L1054 Y1060 I1061	L1053-I1057 WeakPolarHBondContact O-CB 3.41Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.22Å; L1053-I1057 VanDerWaalsContact O-CG1 3.23Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.46Å; L1053-I1057 PolarHBondContact O-N 2.87Å; L1054-I1057 PolarHBondContact O-N 3.41Å; I1057-Y1060 PolarHBondContact O-N 3.1Å; I1057-I1061 HydrophobicContact CG2-CD1 3.76Å; I1057-I1061 HydrophobicContact CG2-CG1 4.39Å; I1057-I1061 WeakPolarHBondContact O-CB 3.34Å; I1057-I1061 VanDerWaalsContact O-CG1 3.27Å; I1057-I1061 WeakPolarHBondContact O-CG1 3.45Å; I1057-I1061 PolarHBondContact O-N 3.13Å
1058	A	90.9	Very high	87.1	Confident	52 Å²	52	104.7 Å²	104.7	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-42.9	175.8	0	0	0	0	0	111.8	L1054 L1055 I1061 Y1062	L1054-A1058 WeakPolarHBondContact O-CB 3.49Å; L1054-A1058 PolarHBondContact O-N 2.92Å; L1055-A1058 PolarHBondContact O-N 3.45Å; A1058-I1061 PolarHBondContact O-N 2.84Å; A1058-Y1062 WeakPolarHBondContact O-CB 3.38Å; A1058-Y1062 PolarHBondContact O-N 3.21Å
1059	C	90.4	Very high	85.5	Confident	85 Å²	85	109.1 Å²	109.1	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-65.2	-35.6	171.6	-85.4	0	0	0	0	112.2	L1055 Y1063	L1055-C1059 VanDerWaalsContact O-CB 3.31Å; L1055-C1059 WeakPolarHBondContact O-CB 3.46Å; L1055-C1059 PolarHBondContact O-N 2.97Å; C1059-Y1063 WeakPolarHBondContact O-CB 3.26Å; C1059-Y1063 PolarHBondContact O-N 3.48Å
1060	Y	89.1	Confident	83.7	Confident	141 Å²	141	110.1 Å²	110.1	55%	0.553	52%	0.524	S	S	*	.	H	α-helix	trans	-68.5	-43.1	174.5	176.2	-96.3	0	0	0	111.9	G1056 I1057 Y1063 R1064	G1056-Y1060 VanDerWaalsContact O-CB 3.26Å; G1056-Y1060 WeakPolarHBondContact O-CB 3.12Å; G1056-Y1060 PolarHBondContact O-N 3.34Å; I1057-Y1060 PolarHBondContact O-N 3.1Å; Y1060-Y1063 PolarHBondContact O-N 3.22Å; Y1060-R1064 WeakPolarHBondContact O-CB 3.46Å; Y1060-R1064 PolarHBondContact O-N 2.97Å
1061	I	89	Confident	81.6	Confident	87 Å²	87	115.2 Å²	115.2	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-46.9	173.7	-69.8	167.3	0	0	0	109.7	I1057 A1058 Y1063 R1064 E1065	I1057-I1061 HydrophobicContact CG2-CD1 3.76Å; I1057-I1061 HydrophobicContact CG2-CG1 4.39Å; I1057-I1061 WeakPolarHBondContact O-CB 3.34Å; I1057-I1061 VanDerWaalsContact O-CG1 3.27Å; I1057-I1061 WeakPolarHBondContact O-CG1 3.45Å; I1057-I1061 PolarHBondContact O-N 3.13Å; A1058-I1061 PolarHBondContact O-N 2.84Å; I1061-Y1063 PolarHBondContact O-N 3.18Å; I1061-R1064 CarbonylContact O-C 3.57Å; I1061-R1064 PolarHBondContact O-N 3.38Å; I1061-E1065 WeakPolarHBondContact O-CB 3.28Å; I1061-E1065 PolarHBondContact O-N 2.64Å
1062	Y	87.2	Confident	79.2	Confident	161 Å²	161	119.2 Å²	119.2	63%	0.631	56%	0.558	S	S	*	*	H	α-helix	trans	-61.2	-42	175.9	180	-95.1	0	0	0	112.1	A1058 E1065 Y1066	A1058-Y1062 WeakPolarHBondContact O-CB 3.38Å; A1058-Y1062 PolarHBondContact O-N 3.21Å; Y1062-E1065 PolarHBondContact O-N 3.23Å; Y1062-Y1066 WeakPolarHBondContact O-CB 3.5Å; Y1062-Y1066 PolarHBondContact O-N 3.49Å
1063	Y	84.5	Confident	76.7	Confident	135 Å²	135	120.8 Å²	120.8	53%	0.529	58%	0.575	S	S	.	*	H	α-helix	trans	-67.4	-40.8	175.5	178.9	-94.7	0	0	0	111.8	C1059 Y1060 I1061 Y1066 K1067	C1059-Y1063 WeakPolarHBondContact O-CB 3.26Å; C1059-Y1063 PolarHBondContact O-N 3.48Å; Y1060-Y1063 PolarHBondContact O-N 3.22Å; I1061-Y1063 PolarHBondContact O-N 3.18Å; Y1063-Y1066 PolarHBondContact O-N 3.4Å; Y1063-K1067 HydrophobicContact CE1-CD 4.25Å; Y1063-K1067 WeakPolarHBondContact O-CB 3.36Å; Y1063-K1067 PolarHBondContact O-N 3Å
1064	R	83.9	Confident	74.1	Confident	129 Å²	129	122.7 Å²	122.7	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-65.4	-38.1	175.3	-176.9	177.8	-178.9	-175.8	1.2	111.6	Y1060 I1061 R1068	Y1060-R1064 WeakPolarHBondContact O-CB 3.46Å; Y1060-R1064 PolarHBondContact O-N 2.97Å; I1061-R1064 CarbonylContact O-C 3.57Å; I1061-R1064 PolarHBondContact O-N 3.38Å; R1064-R1068 WeakPolarHBondContact O-CG 3.28Å; R1064-R1068 PolarHBondContact O-N 3.34Å; R1064-R1068 VanDerWaalsContact O-N 3.09Å
1065	E	76.3	Confident	71.7	Confident	82 Å²	82	123.8 Å²	123.8	38%	0.383	59%	0.591	S	S	.	*	H	α-helix	trans	-71.5	-45.4	172.2	-84.2	-151	-157.2	0	0	112.2	I1061 Y1062 K1067 R1068 R1069	I1061-E1065 WeakPolarHBondContact O-CB 3.28Å; I1061-E1065 PolarHBondContact O-N 2.64Å; Y1062-E1065 PolarHBondContact O-N 3.23Å; E1065-K1067 VanDerWaalsContact C-N 3.26Å; E1065-K1067 PolarHBondContact O-N 2.87Å; E1065-R1068 CarbonylContact O-C 3.35Å; E1065-R1068 WeakPolarHBondContact O-CA 3.39Å; E1065-R1068 WeakPolarHBondContact O-CB 3.24Å; E1065-R1068 PolarHBondContact O-N 3.31Å; E1065-R1069 WeakPolarHBondContact O-CB 3.46Å; E1065-R1069 VanDerWaalsContact O-CG 3.25Å; E1065-R1069 WeakPolarHBondContact O-CG 3.38Å; E1065-R1069 PolarHBondContact O-N 3.48Å; E1065-R1069 IonicContact OE2-CZ 3.91Å; E1065-R1069 VanDerWaalsContact OE2-CZ 3.27Å; E1065-R1069 IonicContact OE2-NE 3.31Å; E1065-R1069 PolarHBondContact OE2-NE 3.37Å; E1065-R1069 IonicContact OE2-NH2 3.87Å; E1065-R1069 PolarHBondContact OE2-NH2 3.26Å
1066	Y	75.9	Confident	69.3	Low	109 Å²	109	123.3 Å²	123.3	43%	0.427	60%	0.595	S	S	.	*	H	α-helix	trans	-58.3	-40.1	175.2	179.5	-100.4	0	0	0	111.3	Y1062 Y1063 R1068 R1069 K1070	Y1062-Y1066 WeakPolarHBondContact O-CB 3.5Å; Y1062-Y1066 PolarHBondContact O-N 3.49Å; Y1063-Y1066 PolarHBondContact O-N 3.4Å; Y1066-R1068 VanDerWaalsContact C-N 3.35Å; Y1066-R1069 PolarHBondContact O-N 3.37Å; Y1066-K1070 HydrophobicContact CE1-CD 4.25Å; Y1066-K1070 VanDerWaalsContact CE1-CE 3.48Å; Y1066-K1070 PolarHBondContact O-N 3.34Å; Y1066-K1070 VanDerWaalsContact O-N 3.14Å; Y1066-K1070 WeakPolarHBondContact OH-CE 3.43Å; Y1066-K1070 PolarHBondContact OH-NZ 3.19Å
1067	K	75	Confident	66.9	Low	128 Å²	128	128.5 Å²	128.5	56%	0.557	61%	0.612	S	S	*	*	H	α-helix	trans	-69.1	-27.7	173.7	-168.6	168.6	-177.2	173.5	0	113.3	Y1063 E1065	Y1063-K1067 HydrophobicContact CE1-CD 4.25Å; Y1063-K1067 WeakPolarHBondContact O-CB 3.36Å; Y1063-K1067 PolarHBondContact O-N 3Å; E1065-K1067 VanDerWaalsContact C-N 3.26Å; E1065-K1067 PolarHBondContact O-N 2.87Å
1068	R	62.4	Low	64	Low	168 Å²	168	130 Å²	130	63%	0.634	63%	0.626	S	S	*	*	H	α-helix	trans	-77.6	-43.5	169.9	-79.1	174.5	163.8	-171.3	-8.3	112.5	R1064 E1065 Y1066 K1070 H1071	R1064-R1068 WeakPolarHBondContact O-CG 3.28Å; R1064-R1068 PolarHBondContact O-N 3.34Å; R1064-R1068 VanDerWaalsContact O-N 3.09Å; E1065-R1068 CarbonylContact O-C 3.35Å; E1065-R1068 WeakPolarHBondContact O-CA 3.39Å; E1065-R1068 WeakPolarHBondContact O-CB 3.24Å; E1065-R1068 PolarHBondContact O-N 3.31Å; Y1066-R1068 VanDerWaalsContact C-N 3.35Å; R1068-K1070 PolarHBondContact O-N 3.23Å; R1068-H1071 PolarHBondContact O-N 3.47Å
1069	R	55.4	Low	61.1	Low	193 Å²	193	136.2 Å²	136.2	73%	0.728	65%	0.646	S	S	*	*	H	α-helix	trans	-66.5	-13.1	178.9	-68.8	171.7	-173.6	-128	8.5	112.9	E1065 Y1066 H1071	E1065-R1069 WeakPolarHBondContact O-CB 3.46Å; E1065-R1069 VanDerWaalsContact O-CG 3.25Å; E1065-R1069 WeakPolarHBondContact O-CG 3.38Å; E1065-R1069 PolarHBondContact O-N 3.48Å; E1065-R1069 IonicContact OE2-CZ 3.91Å; E1065-R1069 VanDerWaalsContact OE2-CZ 3.27Å; E1065-R1069 IonicContact OE2-NE 3.31Å; E1065-R1069 PolarHBondContact OE2-NE 3.37Å; E1065-R1069 IonicContact OE2-NH2 3.87Å; E1065-R1069 PolarHBondContact OE2-NH2 3.26Å; Y1066-R1069 PolarHBondContact O-N 3.37Å; R1069-H1071 VanDerWaalsContact C-N 3.32Å
1070	K	54.7	Low	58.5	Low	132 Å²	132	140 Å²	140	57%	0.574	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-1.2	166.4	-78.2	-170.1	176.3	-178.1	0	114.9	Y1066 R1068	Y1066-K1070 HydrophobicContact CE1-CD 4.25Å; Y1066-K1070 VanDerWaalsContact CE1-CE 3.48Å; Y1066-K1070 PolarHBondContact O-N 3.34Å; Y1066-K1070 VanDerWaalsContact O-N 3.14Å; Y1066-K1070 WeakPolarHBondContact OH-CE 3.43Å; Y1066-K1070 PolarHBondContact OH-NZ 3.19Å; R1068-K1070 PolarHBondContact O-N 3.23Å
1071	H	49.9	Very low	55.7	Low	155 Å²	155	139.2 Å²	139.2	72%	0.718	67%	0.669	S	S	*	*	S	Bend	trans	-135.5	62.6	179.5	-72.5	-69.8	0	0	0	112.9	R1068 R1069	R1068-H1071 PolarHBondContact O-N 3.47Å; R1069-H1071 VanDerWaalsContact C-N 3.32Å
1072	M	41.1	Very low	52.8	Low	176 Å²	176	138.1 Å²	138.1	87%	0.867	68%	0.679	S	S	*	*	S	Bend	trans	-158.9	155.2	151	-108.5	153.4	-168	0	0	111.7
1073	P	42.8	Very low	49.9	Very low	134 Å²	134	136.7 Å²	136.7	87%	0.87	69%	0.693	S	S	*	*			trans	-87.9	-174.1	-164.6	-10.6	31.1	0	0	0	116
1074	L	36.8	Very low	47.6	Very low	156 Å²	156	139.7 Å²	139.7	82%	0.817	71%	0.709	S	S	*	*			trans	-92.4	178.2	-166.1	-149.8	71.2	0	0	0	114.6
1075	D	43.7	Very low	45.3	Very low	135 Å²	135	139 Å²	139	72%	0.722	72%	0.721	S	S	*	*			trans	76	153.4	159	-77.2	-3.3	0	0	0	119.9
1076	P	41.7	Very low	43	Very low	104 Å²	104	139.6 Å²	139.6	68%	0.675	73%	0.734	S	S	*	*			cis	-136	-158.8	-26.5	35.3	-15.1	0	0	0	112.4
1077	L	41.2	Very low	41	Very low	151 Å²	151	142.1 Å²	142.1	79%	0.791	75%	0.754	S	S	*	*			trans	63.7	95.4	174.5	-91.3	58.7	0	0	0	114.2
1078	T	33	Very low	39.1	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.724	76%	0.757	S	S	*	*			cis	56.7	130.3	39.9	72.5	0	0	0	0	116
1079	E	30.2	Very low	37.8	Very low	182 Å²	182	140 Å²	140	85%	0.85	77%	0.768	S	S	*	*			trans	60.1	108.1	167.1	-59	-172.1	146.8	0	0	118.1
1080	L	35.1	Very low	36.8	Very low	163 Å²	163	136.2 Å²	136.2	85%	0.853	76%	0.762	S	S	*	*				-162.4	141.1	104.5	-99.2	156.2	0	0	0	112.3
1081	T	30.6	Very low	36	Very low	125 Å²	125	137.9 Å²	137.9	77%	0.767	77%	0.771	S	S	*	*			trans	-21.6	148.7	162.9	54.2	0	0	0	0	117.2
1082	G	27.8	Very low	35.3	Very low	64 Å²	64	135.3 Å²	135.3	66%	0.66	77%	0.771	S	S	*	*			cis	118.9	132.8	13.9	0	0	0	0	0	111.1
1083	S	26.5	Very low	34.8	Very low	132 Å²	132	130.9 Å²	130.9	92%	0.923	76%	0.762	S	S	*	*			trans	78.2	164.4	170.1	83.2	0	0	0	0	119.6
1084	K	36	Very low	34.3	Very low	198 Å²	198	133.4 Å²	133.4	86%	0.861	76%	0.762	S	S	*	*			trans	-63.2	168.9	-169.9	-67.3	172	177.8	175.2	0	113.9
1085	P	34.8	Very low	34	Very low	114 Å²	114	135.9 Å²	135.9	74%	0.74	76%	0.761	S	S	*	*			cis	-150.5	179.7	29.4	45.4	-24.2	0	0	0	120.3
1086	S	29.4	Very low	33.3	Very low	94 Å²	94	136.3 Å²	136.3	66%	0.657	76%	0.762	S	S	*	*			trans	11.1	131.9	152.6	60.4	0	0	0	0	123.3
1087	L	33.9	Very low	32.7	Very low	162 Å²	162	136.4 Å²	136.4	85%	0.848	76%	0.761	S	S	*	*				169.5	169.3	122.3	-109.1	83.7	0	0	0	109.3
1088	S	34.1	Very low	32.2	Very low	87 Å²	87	134.7 Å²	134.7	61%	0.608	76%	0.757	S	S	*	*				-168.7	120.7	-71.4	53.8	0	0	0	0	111.9
1089	L	35.1	Very low	32.1	Very low	165 Å²	165	137.4 Å²	137.4	86%	0.864	76%	0.761	S	S	*	*			trans	168.8	143.9	154.4	-115.5	65.7	0	0	0	107.7
1090	N	34.4	Very low	32	Very low	114 Å²	114	134 Å²	134	61%	0.61	76%	0.757	S	S	*	*			cis	-154.1	145.8	-11.8	-152.5	8.6	0	0	0	110.4
1091	Q	37.2	Very low	32	Very low	166 Å²	166	131.3 Å²	131.3	78%	0.776	75%	0.749	S	S	*	*			trans	49.6	144	157.7	-69.5	158.7	-2.4	0	0	121.1
1092	S	36.6	Very low	32	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	75%	0.751	S	S	*	*			cis	-169.6	133.3	-20.6	49.3	0	0	0	0	111.3
1093	A	31.2	Very low	32.1	Very low	83 Å²	83	139 Å²	139	69%	0.686	76%	0.76	S	S	*	*			trans	38.1	146.2	135.3	0	0	0	0	0	122.6
1094	H	31.5	Very low	32.2	Very low	188 Å²	188	141.2 Å²	141.2	87%	0.87	75%	0.753	S	S	*	*			cis	-154.9	173.1	5.9	-117.1	-54.2	0	0	0	112.1
1095	R	29.8	Very low	31.8	Very low	208 Å²	208	139.4 Å²	139.4	79%	0.785	75%	0.748	S	S	*	*			trans	-145.3	131.7	-176.2	-172.9	-166.9	-160.2	-165.4	9.4	112.7
1096	L	30.5	Very low	31.4	Very low	143 Å²	143	140.1 Å²	140.1	75%	0.749	75%	0.745	S	S	*	*			trans	-143.2	152.8	158.6	-78	89.5	0	0	0	107.1
1097	T	28.3	Very low	31.5	Very low	107 Å²	107	142.4 Å²	142.4	66%	0.656	75%	0.745	S	S	*	*			cis	76.8	80.2	-14.9	74.6	0	0	0	0	121.9
1098	T	30.2	Very low	31.4	Very low	115 Å²	115	142.8 Å²	142.8	71%	0.706	74%	0.74	S	S	*	*			trans	-151.4	135.8	146.2	32.8	0	0	0	0	112.9
1099	H	30.4	Very low	31.2	Very low	174 Å²	174	143 Å²	143	81%	0.806	74%	0.74	S	S	*	*			trans	24.4	151.3	145.1	-61.9	-71.1	0	0	0	122.8
1100	C	29	Very low	31.3	Very low	112 Å²	112	142.7 Å²	142.7	76%	0.757	73%	0.734	S	S	*	*			cis	-160.8	174.3	9.8	-124.9	0	0	0	0	112.3
1101	P	35.4	Very low	31.4	Very low	106 Å²	106	143.4 Å²	143.4	69%	0.688	74%	0.738	S	S	*	*			trans	-109.4	170.5	-175.3	40.5	-33.4	0	0	0	116.7
1102	N	29.7	Very low	31.3	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	73%	0.727	S	S	*	*			trans	64.9	113.7	159.7	-75.2	-38.4	0	0	0	120.9
1103	K	30.2	Very low	31.2	Very low	199 Å²	199	142.9 Å²	142.9	87%	0.865	73%	0.733	S	S	*	*				175.2	132.5	111.7	-97.7	169	-176.8	175.1	0	116.6
1104	K	27.8	Very low	31.3	Very low	178 Å²	178	143.3 Å²	143.3	77%	0.774	73%	0.73	S	S	*	*			trans	22.1	133	136.2	-65.8	-172.6	172.1	-168.6	0	123
1105	Q	29.5	Very low	31.1	Very low	160 Å²	160	141.2 Å²	141.2	75%	0.748	73%	0.731	S	S	*	*				83.9	116.8	127.3	-79.6	179.1	-56.1	0	0	123.6
1106	L	26	Very low	31.1	Very low	130 Å²	130	134.9 Å²	134.9	68%	0.681	73%	0.731	S	S	*	*				93.9	121.6	116	-168.3	72.9	0	0	0	121.1
1107	H	31.6	Very low	31	Very low	142 Å²	142	135.6 Å²	135.6	66%	0.657	73%	0.734	S	S	*	*			trans	64.2	156.1	164	-70.4	-24	0	0	0	116.3
1108	K	31.1	Very low	31	Very low	170 Å²	170	138.3 Å²	138.3	74%	0.739	74%	0.744	S	S	*	*			cis	-164.1	163.4	-11.2	-107.7	174.4	-176.3	-177.3	0	104.8
1109	C	30.8	Very low	30.6	Very low	90 Å²	90	137.5 Å²	137.5	61%	0.608	74%	0.742	S	S	*	*			cis	-161.4	-173.2	-5.8	-125.1	0	0	0	0	104.7
1110	H	37.1	Very low	30.4	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.736	74%	0.739	S	S	*	*			cis	-153	175.5	-2.5	-98.9	-64.3	0	0	0	103.2
1111	N	36.1	Very low	30.3	Very low	130 Å²	130	137.6 Å²	137.6	70%	0.695	74%	0.74	S	S	*	*			cis	-164.1	174.1	-3.9	-116.8	6.9	0	0	0	106
1112	S	35.9	Very low	29.8	Very low	77 Å²	77	136.5 Å²	136.5	54%	0.538	74%	0.735	S	S	.	*			cis	-163.9	130.5	-11.8	40.5	0	0	0	0	110.4
1113	Q	34	Very low	29.6	Very low	179 Å²	179	136.4 Å²	136.4	84%	0.836	74%	0.735	S	S	*	*			trans	61.8	149.5	132.7	-65.9	169.2	-36.5	0	0	121.4
1114	S	31.9	Very low	29.5	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	73%	0.728	S	S	*	*			cis	-170.4	128.5	-17.5	51.2	0	0	0	0	114.3
1115	T	27.8	Very low	29.4	Very low	144 Å²	144	133 Å²	133	88%	0.883	72%	0.722	S	S	*	*			trans	39.9	139.1	132.8	64.8	0	0	0	0	124.3
1116	G	30.8	Very low	29.2	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	72%	0.719	S	S	*	*			trans	132.4	104.6	159.5	0	0	0	0	0	112.5
1117	L	27.5	Very low	29.1	Very low	157 Å²	157	133 Å²	133	82%	0.822	72%	0.721	S	S	*	*			cis	87.8	83.8	19.7	-147.4	173.5	0	0	0	115.2
1118	L	27.8	Very low	28.8	Very low	164 Å²	164	131.4 Å²	131.4	86%	0.859	72%	0.721	S	S	*	*			trans	-161.3	-175.9	130.1	-134.1	81.3	0	0	0	111.9
1119	C	23.1	Very low	28.5	Very low	99 Å²	99	131.3 Å²	131.3	67%	0.669	72%	0.721	S	S	*	*			trans	-111.3	-174.5	-157.5	-51.9	0	0	0	0	115.3
1120	D	26.5	Very low	28.3	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	73%	0.73	S	S	*	*			trans	92.6	101.3	146.5	-61.3	-18.6	0	0	0	121.6
1121	L	26	Very low	27.8	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	73%	0.727	S	S	*	*				74.3	132.8	114	-75.1	163.8	0	0	0	123.4
1122	S	25	Very low	27.6	Very low	84 Å²	84	137 Å²	137	59%	0.587	73%	0.733	S	S	*	*			trans	65.6	112.4	137	65.1	0	0	0	0	121.6
1123	D	26.2	Very low	27.3	Very low	149 Å²	149	136.3 Å²	136.3	80%	0.797	74%	0.738	S	S	*	*				72.1	145	117.8	-58.4	-36.5	0	0	0	123
1124	E	27.2	Very low	27.3	Very low	155 Å²	155	133.7 Å²	133.7	72%	0.724	74%	0.736	S	S	*	*			trans	64.2	153.8	155.3	-74	-161.1	148.1	0	0	118.5
1125	K	25	Very low	27.1	Very low	149 Å²	149	136.3 Å²	136.3	65%	0.648	74%	0.742	S	S	*	*			cis	-159.5	171.7	-28.7	-128.3	176.6	-166.8	156.8	0	108.4
1126	E	25.6	Very low	27.2	Very low	145 Å²	145	138.8 Å²	138.8	68%	0.678	74%	0.74	S	S	*	*			trans	59	123.4	147.5	-72.9	-175	166.7	0	0	122.7
1127	M	24.5	Very low	27	Very low	146 Å²	146	144.6 Å²	144.6	72%	0.719	74%	0.744	S	S	*	*				83.6	115.4	125.9	-74.2	-157.9	-92.4	0	0	123.4
1128	V	25.2	Very low	27.1	Very low	109 Å²	109	145.9 Å²	145.9	66%	0.661	75%	0.745	S	S	*	*				98.3	103.4	117.1	168.5	0	0	0	0	120.3
1129	F	25.1	Very low	27	Very low	168 Å²	168	146.5 Å²	146.5	74%	0.737	74%	0.744	S	S	*	*			trans	74.2	139.4	137.1	-84.6	-121.6	0	0	0	122.2
1130	R	27.3	Very low	27.4	Very low	214 Å²	214	150.7 Å²	150.7	81%	0.808	75%	0.753	S	S	*	*			trans	72.5	143.3	149.4	-75.1	-177.7	166.4	152.1	-1.2	118.3
1131	D	26.7	Very low	27.3	Very low	125 Å²	125	152.9 Å²	152.9	67%	0.668	76%	0.759	S	S	*	*			cis	-161.8	169.3	-19.4	-135.4	-30.6	0	0	0	108.9
1132	I	30.8	Very low	27.4	Very low	159 Å²	159	154.9 Å²	154.9	82%	0.815	76%	0.764	S	S	*	*			trans	66.2	130.4	163	-58.3	152.2	0	0	0	117.3
1133	G	28.9	Very low	27.5	Very low	62 Å²	62	159.1 Å²	159.1	64%	0.639	77%	0.774	S	S	*	*			trans	-115.4	-151.9	164.8	0	0	0	0	0	111.4
1134	P	35.6	Very low	27.5	Very low	124 Å²	124	162.4 Å²	162.4	81%	0.805	78%	0.777	S	S	*	*			cis	-123.6	-120.4	-10.8	40.7	-26.3	0	0	0	111.7
1135	I	26.7	Very low	27.6	Very low	147 Å²	147	162.3 Å²	162.3	75%	0.754	78%	0.776	S	S	*	*			trans	74.7	105.8	173	-33	174.2	0	0	0	117.1
1136	K	30.3	Very low	27.6	Very low	196 Å²	196	162.5 Å²	162.5	85%	0.852	78%	0.779	S	S	*	*				-177.9	142.8	108.6	-96.7	179.1	-174.2	177	0	112.8
1137	K	25.3	Very low	27.9	Very low	198 Å²	198	163.8 Å²	163.8	86%	0.861	79%	0.785	S	S	*	*			trans	-72.5	143.9	165	-64.1	176	178.3	177.5	0	109.1
1138	H	30.7	Very low	28	Very low	183 Å²	183	163.3 Å²	163.3	85%	0.847	78%	0.781	S	S	*	*			trans	-145.5	143.3	145.8	-107.4	-80.4	0	0	0	110.1
1139	Q	25.8	Very low	28.3	Very low	178 Å²	178	166.4 Å²	166.4	83%	0.832	79%	0.788	S	S	*	*			trans	-78	141.3	174.1	-62.7	156.6	-70.8	0	0	109.5
1140	H	30.7	Very low	28.4	Very low	187 Å²	187	167.7 Å²	167.7	87%	0.866	79%	0.788	S	S	*	*			trans	-143.7	128.9	148.4	-104.1	-70.2	0	0	0	110.3
1141	Q	24.4	Very low	28.4	Very low	183 Å²	183	163.9 Å²	163.9	86%	0.855	78%	0.779	S	S	*	*			trans	-78.8	136.9	163.7	-61.1	165	-58.1	0	0	108.5
1142	Q	28.9	Very low	28.5	Very low	192 Å²	192	164.4 Å²	164.4	90%	0.897	78%	0.781	S	S	*	*			trans	-160.2	153.7	141.3	-112	163.3	24.1	0	0	110.9
1143	H	25.6	Very low	28.4	Very low	173 Å²	173	159.1 Å²	159.1	80%	0.801	75%	0.754	S	S	*	*			trans	-72.8	158	-178.6	-63	-111	0	0	0	111.4
1144	Y	26.6	Very low	28.6	Very low	218 Å²	218	163 Å²	163	86%	0.855	76%	0.755	S	S	*	*				-163.1	138.2	115.4	-103.7	-61.4	0	0	0	114.5
1145	H	30.4	Very low	28.4	Very low	152 Å²	152	161.1 Å²	161.1	70%	0.704	75%	0.745	S	S	*	*			trans	38	101.5	167.7	-74.9	-61.6	0	0	0	123.1
1146	H	25.3	Very low	28.7	Very low	153 Å²	153	162.1 Å²	162.1	71%	0.708	75%	0.746	S	S	*	*			trans	-51.6	155	132.6	-99.7	-50.1	0	0	0	112.6
1147	H	31.9	Very low	28.6	Very low	172 Å²	172	159.7 Å²	159.7	80%	0.796	74%	0.738	S	S	*	*			trans	-138.8	147.6	134.7	-109.5	-83.1	0	0	0	111.1
1148	Q	25.5	Very low	28.8	Very low	136 Å²	136	157.3 Å²	157.3	64%	0.636	73%	0.734	S	S	*	*			trans	-131.5	151.7	-177.4	-58.5	174.8	-39.2	0	0	110.6
1149	H	31.7	Very low	29	Very low	174 Å²	174	153.8 Å²	153.8	81%	0.806	73%	0.727	S	S	*	*			trans	-166.4	124.6	147.1	-84.5	-72.9	0	0	0	106.4
1150	R	26.4	Very low	29.6	Very low	196 Å²	196	150.1 Å²	150.1	74%	0.74	72%	0.719	S	S	*	*				67.2	133.8	56.2	-60.1	-171.2	111.4	179.5	3	113.2
1151	H	28.1	Very low	29.7	Very low	133 Å²	133	150 Å²	150	62%	0.616	72%	0.718	S	S	*	*			cis	-174.8	161.9	-7.7	-103	-45.1	0	0	0	111.6
1152	L	29.5	Very low	29.8	Very low	136 Å²	136	146.2 Å²	146.2	71%	0.712	71%	0.708	S	S	*	*			trans	66.7	92.7	143.3	-66.9	160	0	0	0	125.4
1153	L	27.7	Very low	29.9	Very low	48 Å²	48	145.4 Å²	145.4	25%	0.251	70%	0.704	S	S	.	*				51.4	140.5	102.6	-75.3	150	0	0	0	129.5	L1252 I1253	L1153-L1252 VanDerWaalsContact CD1-O 3.3Å; L1153-L1252 WeakPolarHBondContact CD1-O 3.36Å; L1153-L1252 WeakPolarHBondContact CD2-O 3.48Å; L1153-L1252 WeakPolarHBondContact CG-O 3.37Å; L1153-I1253 HydrophobicContact CD1-CB 4.45Å; L1153-I1253 HydrophobicContact CD1-CD1 3.69Å; L1153-I1253 HydrophobicContact CD1-CG1 3.65Å; L1153-I1253 HydrophobicContact CD2-CB 3.86Å; L1153-I1253 HydrophobicContact CD2-CD1 3.82Å; L1153-I1253 HydrophobicContact CD2-CG1 3.89Å; L1153-I1253 HydrophobicContact CG-CD1 4.34Å; L1153-I1253 HydrophobicContact CG-CG1 4.39Å
1154	H	33.4	Very low	30	Very low	144 Å²	144	141.3 Å²	141.3	67%	0.667	69%	0.694	S	S	*	*			trans	69.2	153.4	142.6	-84.1	-2.4	0	0	0	121.2
1155	S	30.9	Very low	30.2	Very low	84 Å²	84	139.4 Å²	139.4	59%	0.587	69%	0.693	S	S	*	*			cis	-169.4	168.6	-11.2	51.4	0	0	0	0	112.6
1156	H	33.2	Very low	30	Very low	168 Å²	168	139 Å²	139	78%	0.778	69%	0.685	S	S	*	*			trans	123.7	158.6	161.8	-74.3	-70	0	0	0	115
1157	Q	29	Very low	30.1	Very low	145 Å²	145	140.6 Å²	140.6	68%	0.678	69%	0.686	S	S	*	*				-171	157.1	-51	-133.3	-179.6	-26.4	0	0	112
1158	L	29.1	Very low	29.9	Very low	149 Å²	149	137.7 Å²	137.7	78%	0.78	67%	0.673	S	S	*	*			trans	74.2	155.6	157.4	-68.9	159.2	0	0	0	119.4
1159	P	34.7	Very low	30.2	Very low	109 Å²	109	139.9 Å²	139.9	71%	0.708	68%	0.683	S	S	*	*			trans	-139.6	-129.5	-147.3	42.2	-18.2	0	0	0	111.7
1160	P	39.3	Very low	30.1	Very low	101 Å²	101	139.1 Å²	139.1	66%	0.656	68%	0.679	S	S	*	*				-106.2	-175.8	-63.5	38.3	-25.3	0	0	0	111.3
1161	H	32.7	Very low	30.2	Very low	183 Å²	183	134.4 Å²	134.4	85%	0.847	68%	0.676	S	S	*	*			trans	-169	156.2	131.9	-108.1	-68.6	0	0	0	113.5
1162	T	27	Very low	30.4	Very low	104 Å²	104	138.3 Å²	138.3	64%	0.638	69%	0.687	S	S	*	*			trans	-98.4	148.9	-179.4	46.1	0	0	0	0	112.4
1163	H	31	Very low	30.4	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.815	69%	0.688	S	S	*	*				178.1	159	112	-101.9	-78.5	0	0	0	113.2
1164	S	26.3	Very low	30.5	Very low	86 Å²	86	146 Å²	146	60%	0.601	72%	0.719	S	S	*	*			trans	-82.9	162.4	176.7	55.4	0	0	0	0	113.4
1165	H	30.9	Very low	30.2	Very low	179 Å²	179	147.2 Å²	147.2	83%	0.829	72%	0.722	S	S	*	*				-161.5	-178	118.4	-103.5	-63.6	0	0	0	112
1166	R	25.8	Very low	30.1	Very low	143 Å²	143	152.4 Å²	152.4	54%	0.54	74%	0.74	S	S	.	*			trans	-140.5	150.2	-156.9	-150.6	-179.7	-158.6	168	11.4	108.9	S648 S649	S648-R1166 PolarHBondContact OG-NH2 3.03Å; S649-R1166 WeakPolarHBondContact OG-CG 3.29Å; S649-R1166 PolarHBondContact OG-NE 3.1Å
1167	Y	28.4	Very low	29.8	Very low	186 Å²	186	149.7 Å²	149.7	73%	0.729	74%	0.735	S	S	*	*				-176.2	145.2	129.9	-97.8	-61.4	0	0	0	115.2	S650	S650-Y1167 CarbonylContact O-C 3.52Å; S650-Y1167 PolarHBondContact O-N 2.92Å; S650-Y1167 PolarHBondContact OG-O 3.34Å
1168	H	28.2	Very low	29.8	Very low	112 Å²	112	152.3 Å²	152.3	52%	0.519	75%	0.747	S	S	.	*			trans	-76.2	162.2	176.7	-72.7	-108	0	0	0	113.5
1169	H	30.9	Very low	29.8	Very low	182 Å²	182	154.2 Å²	154.2	84%	0.843	75%	0.752	S	S	*	*				-149.2	-175.6	125.8	-124.9	-92.9	0	0	0	112.7
1170	H	30.5	Very low	29.4	Very low	158 Å²	158	154.3 Å²	154.3	73%	0.731	76%	0.756	S	S	*	*			trans	-129.9	162.2	-147.9	-120.8	-80.9	0	0	0	115.7
1171	S	28.6	Very low	28.8	Very low	96 Å²	96	153.3 Å²	153.3	67%	0.671	76%	0.755	S	S	*	*			trans	78	160.4	153.8	-83.5	0	0	0	0	119.3
1172	Y	30.7	Very low	28.7	Very low	215 Å²	215	152.9 Å²	152.9	84%	0.843	75%	0.753	S	S	*	*			cis	-139.5	154	12	-144.4	-79.2	0	0	0	113.5
1173	N	29.9	Very low	28.8	Very low	136 Å²	136	152.7 Å²	152.7	73%	0.727	76%	0.757	S	S	*	*			trans	-77	159.8	177.8	-88.5	-64.5	0	0	0	114.8
1174	K	29.6	Very low	28.6	Very low	209 Å²	209	153.1 Å²	153.1	91%	0.909	76%	0.759	S	S	*	*			trans	-149.5	127.9	131.1	-135.3	175.4	-174.2	-179.1	0	113.3
1175	K	27.6	Very low	28.6	Very low	170 Å²	170	156.6 Å²	156.6	74%	0.739	77%	0.77	S	S	*	*			trans	-85	158.9	172.3	-69.1	-178.3	173.7	-175.7	0	111.1	T1177	K1175-T1177 HydrophobicContact CD-CG2 4.47Å
1176	M	28.2	Very low	28.6	Very low	194 Å²	194	154.9 Å²	154.9	96%	0.956	77%	0.766	S	S	*	*			trans	-128.3	148.7	134.4	-115.9	175.4	168.6	0	0	109.3
1177	T	27.8	Very low	28.7	Very low	111 Å²	111	154.8 Å²	154.8	68%	0.681	78%	0.776	S	S	*	*			trans	-149.6	127.1	-178.3	42.9	0	0	0	0	108	K1175	K1175-T1177 HydrophobicContact CD-CG2 4.47Å
1178	E	29.7	Very low	28.6	Very low	199 Å²	199	150.3 Å²	150.3	93%	0.93	78%	0.777	S	S	*	*			trans	-128.3	164.1	165.7	-85.7	-176.4	158.2	0	0	110.1
1179	Q	27.6	Very low	28.7	Very low	190 Å²	190	150.2 Å²	150.2	89%	0.888	79%	0.789	S	S	*	*			trans	-132.4	168.9	-160.8	-57.2	176	-82.7	0	0	111.9
1180	S	26.2	Very low	28.7	Very low	111 Å²	111	150 Å²	150	78%	0.776	79%	0.788	S	S	*	*			trans	94.8	111.8	139.7	-162.3	0	0	0	0	120.2
1181	A	26.9	Very low	28.5	Very low	79 Å²	79	149.3 Å²	149.3	65%	0.653	79%	0.79	S	S	*	*			trans	66.3	150.6	141	0	0	0	0	0	118.7
1182	H	30.4	Very low	28.4	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.806	80%	0.802	S	S	*	*			cis	-157.6	164.5	39.8	-115.4	-84.3	0	0	0	113.4
1183	S	29.4	Very low	28.2	Very low	101 Å²	101	149.3 Å²	149.3	71%	0.706	80%	0.8	S	S	*	*			trans	56.2	128.4	156.4	46.5	0	0	0	0	118.8
1184	Q	26.9	Very low	28.2	Very low	184 Å²	184	148 Å²	148	86%	0.86	80%	0.801	S	S	*	*			cis	63.7	142.2	29.4	-72.4	-165.4	-15	0	0	117.3
1185	L	27.2	Very low	28	Very low	160 Å²	160	142.1 Å²	142.1	84%	0.838	79%	0.787	S	S	*	*			trans	81.5	140.5	-173.3	-54.4	159.9	0	0	0	113.2
1186	I	30.8	Very low	28.1	Very low	143 Å²	143	141.6 Å²	141.6	73%	0.733	79%	0.786	S	S	*	*			cis	-148	145.9	9	-124.6	154.8	0	0	0	114.4
1187	N	27.6	Very low	28.1	Very low	141 Å²	141	140.6 Å²	140.6	75%	0.754	78%	0.777	S	S	*	*			trans	-4.7	125.1	160.5	-60.3	-4.2	0	0	0	124.5
1188	A	26.3	Very low	27.9	Very low	91 Å²	91	139.5 Å²	139.5	75%	0.752	77%	0.774	S	S	*	*				78.9	168.8	106.1	0	0	0	0	0	124.2
1189	S	30.1	Very low	27.8	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	77%	0.767	S	S	*	*			trans	80.8	141	179.5	76.5	0	0	0	0	116.5
1190	H	31.2	Very low	27.9	Very low	179 Å²	179	133.8 Å²	133.8	83%	0.829	76%	0.755	S	S	*	*			cis	-144.9	142	4.2	-131.8	-61.5	0	0	0	111.9
1191	D	25.6	Very low	28	Very low	143 Å²	143	134 Å²	134	77%	0.765	75%	0.748	S	S	*	*			trans	-70.1	154.4	170.3	-60.4	-82	0	0	0	113.1
1192	C	26.6	Very low	28.1	Very low	138 Å²	138	137.6 Å²	137.6	93%	0.932	75%	0.751	S	S	*	*			trans	-152	142	142.8	-129.6	0	0	0	0	111.7
1193	H	27.3	Very low	28.1	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.796	75%	0.747	S	S	*	*			trans	-96.1	166.3	-171.3	-112	-110.9	0	0	0	112.9
1194	S	28.7	Very low	28	Very low	108 Å²	108	138 Å²	138	76%	0.755	75%	0.746	S	S	*	*			trans	69.7	160.7	156.6	-95.5	0	0	0	0	117.8
1195	S	25.1	Very low	28.1	Very low	86 Å²	86	138.9 Å²	138.9	60%	0.601	74%	0.743	S	S	*	*			cis	176.2	173.6	-33.8	48.7	0	0	0	0	108.4
1196	H	31.1	Very low	28	Very low	159 Å²	159	136.3 Å²	136.3	74%	0.736	74%	0.737	S	S	*	*			trans	76.7	129	167.7	-77.2	-101.1	0	0	0	120.6
1197	F	27	Very low	28	Very low	173 Å²	173	138.4 Å²	138.4	76%	0.759	74%	0.743	S	S	*	*			trans	66.8	93.3	137	-81.7	-116	0	0	0	122
1198	S	24.7	Very low	27.9	Very low	89 Å²	89	137.3 Å²	137.3	62%	0.622	74%	0.742	S	S	*	*				43.7	143.1	108.2	76.1	0	0	0	0	123.5
1199	L	26.7	Very low	28	Very low	148 Å²	148	140.1 Å²	140.1	78%	0.775	74%	0.743	S	S	*	*			trans	90.1	133.9	151.8	-100.3	77.4	0	0	0	120.1
1200	D	29.4	Very low	27.9	Very low	121 Å²	121	145.1 Å²	145.1	65%	0.647	75%	0.745	S	S	*	*			trans	75.3	109.2	139.6	-80.6	30.6	0	0	0	124
1201	N	29.3	Very low	27.7	Very low	115 Å²	115	143.2 Å²	143.2	62%	0.615	74%	0.74	S	S	*	*				76.5	113.5	118.3	-76.6	-41	0	0	0	121.8
1202	Q	29	Very low	28	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.724	74%	0.737	S	S	*	*				86.3	135.8	121.1	-76.7	-174.5	-0.5	0	0	122.4
1203	H	30.8	Very low	28.1	Very low	154 Å²	154	142.6 Å²	142.6	71%	0.713	73%	0.727	S	S	*	*			trans	80.3	94.7	144	-76.5	52.8	0	0	0	121.5
1204	D	26.6	Very low	28.2	Very low	128 Å²	128	143.2 Å²	143.2	68%	0.684	73%	0.728	S	S	*	*				80	160.5	102.3	-149.5	12	0	0	0	121.3
1205	Y	29.7	Very low	28.2	Very low	203 Å²	203	143.3 Å²	143.3	80%	0.796	72%	0.724	S	S	*	*			trans	79.9	142.6	171.2	-85.4	-90	0	0	0	122.2
1206	C	24.1	Very low	28.4	Very low	107 Å²	107	146 Å²	146	72%	0.723	73%	0.727	S	S	*	*			trans	-91.1	163.3	-174.6	-50.6	0	0	0	0	112.9
1207	H	31	Very low	28.4	Very low	186 Å²	186	145.2 Å²	145.2	86%	0.861	72%	0.723	S	S	*	*				-166.2	159	119.8	-111.2	-77.3	0	0	0	113.3
1208	T	25.5	Very low	28.5	Very low	118 Å²	118	146.9 Å²	146.9	72%	0.724	73%	0.725	S	S	*	*			trans	-97.8	163.1	178.6	46.4	0	0	0	0	112.5
1209	I	29.4	Very low	28.6	Very low	151 Å²	151	148.3 Å²	148.3	77%	0.774	73%	0.73	S	S	*	*			trans	171.1	123.3	133.4	-88.3	156.2	0	0	0	115
1210	R	27.3	Very low	28.8	Very low	215 Å²	215	146.3 Å²	146.3	81%	0.811	73%	0.728	S	S	*	*			trans	40.2	126.6	145.2	-64.4	-179.6	163.6	164.6	-4	125.6
1211	L	27.3	Very low	28.7	Very low	139 Å²	139	144.7 Å²	144.7	73%	0.728	73%	0.726	S	S	*	*				49.9	123.3	121.9	-57.9	164.2	0	0	0	121.8
1212	N	30.8	Very low	28.8	Very low	129 Å²	129	147.5 Å²	147.5	69%	0.69	74%	0.735	S	S	*	*				176.7	136.5	87.5	-111.5	-45.6	0	0	0	116.9
1213	N	28.5	Very low	28.8	Very low	138 Å²	138	145.1 Å²	145.1	74%	0.738	74%	0.736	S	S	*	*			trans	22.1	123.5	138.4	-78.7	-57.2	0	0	0	123
1214	K	30.6	Very low	28.8	Very low	186 Å²	186	141.6 Å²	141.6	81%	0.809	74%	0.741	S	S	*	*				171.9	133.4	103	-104.4	175	-174.6	177.7	0	117.2
1215	T	28.3	Very low	28.9	Very low	109 Å²	109	140.7 Å²	140.7	67%	0.669	75%	0.745	S	S	*	*			trans	33.9	148.7	133.3	59	0	0	0	0	122.2
1216	Q	29	Very low	28.8	Very low	143 Å²	143	138.2 Å²	138.2	67%	0.668	75%	0.745	S	S	*	*			cis	-174.4	164	22	-131.5	164.1	-3.5	0	0	114.2
1217	H	31.3	Very low	29.1	Very low	142 Å²	142	138.7 Å²	138.7	66%	0.657	74%	0.744	S	S	*	*			trans	69	154.3	154.8	-63.7	-44	0	0	0	119.7
1218	R	28.9	Very low	29.2	Very low	209 Å²	209	137.8 Å²	137.8	79%	0.789	74%	0.737	S	S	*	*			cis	-160.6	151	-2.6	-127.3	177.9	174.1	157.6	-2.7	113.1
1219	T	27.8	Very low	29.4	Very low	118 Å²	118	139.1 Å²	139.1	72%	0.724	74%	0.74	S	S	*	*			trans	10.5	156.1	144.2	54.5	0	0	0	0	122.6
1220	S	29.6	Very low	29.5	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	75%	0.746	S	S	*	*			cis	177.5	-170.9	-13.4	64.4	0	0	0	0	107.6
1221	S	27.6	Very low	29.5	Very low	86 Å²	86	130 Å²	130	60%	0.601	75%	0.75	S	S	*	*			cis	-171.3	178.2	-3.3	25.3	0	0	0	0	110.4
1222	H	32.2	Very low	29.7	Very low	175 Å²	175	126.7 Å²	126.7	81%	0.81	75%	0.75	S	S	*	*			trans	89.1	153.6	166.4	-64.2	-79.7	0	0	0	121.1
1223	S	28.5	Very low	29.7	Very low	104 Å²	104	127 Å²	127	73%	0.727	76%	0.757	S	S	*	*				-179.5	130.1	-52.2	49.4	0	0	0	0	115.6
1224	G	29.9	Very low	29.7	Very low	81 Å²	81	126.8 Å²	126.8	84%	0.835	76%	0.76	S	S	*	*			trans	96.3	166.3	155.6	0	0	0	0	0	119
1225	S	28.7	Very low	29.6	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	76%	0.759	S	S	*	*			cis	-173.5	148.7	-16.6	-141.6	0	0	0	0	115.4
1226	L	28.1	Very low	29.6	Very low	151 Å²	151	124.2 Å²	124.2	79%	0.791	76%	0.756	S	S	*	*			trans	76.1	135.2	145.9	-72.2	159.6	0	0	0	125.9
1227	V	31.3	Very low	29.6	Very low	117 Å²	117	123.9 Å²	123.9	71%	0.709	76%	0.759	S	S	*	*			trans	81.5	140.6	136.4	164	0	0	0	0	120.9
1228	K	31.5	Very low	29.4	Very low	166 Å²	166	122.2 Å²	122.2	72%	0.722	76%	0.763	S	S	*	*			cis	-169.9	153.1	-18.6	-107	-175.9	179.2	177	0	114.4
1229	N	30.2	Very low	29.3	Very low	147 Å²	147	118.3 Å²	118.3	79%	0.786	76%	0.762	S	S	*	*			trans	59.7	129.2	139.6	-65.4	16.2	0	0	0	127
1230	G	31.4	Very low	29.4	Very low	87 Å²	87	121.7 Å²	121.7	90%	0.897	77%	0.769	S	S	*	*			trans	108.8	143.9	132.7	0	0	0	0	0	119.2
1231	G	28.9	Very low	29.2	Very low	86 Å²	86	121.5 Å²	121.5	89%	0.887	77%	0.768	S	S	*	*			cis	161.1	115.2	-16.1	0	0	0	0	0	117.7
1232	G	31.3	Very low	29.1	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	78%	0.78	S	S	*	*			trans	83.2	171.4	156.9	0	0	0	0	0	120.7
1233	T	29.9	Very low	28.9	Very low	137 Å²	137	119 Å²	119	84%	0.84	78%	0.782	S	S	*	*			cis	-176.3	130.4	-27.6	21	0	0	0	0	114.9
1234	V	28.7	Very low	28.9	Very low	132 Å²	132	118.1 Å²	118.1	80%	0.8	79%	0.789	S	S	*	*			trans	76.6	161.9	140.2	-172.2	0	0	0	0	121.8
1235	I	29.3	Very low	28.8	Very low	155 Å²	155	118.9 Å²	118.9	80%	0.795	78%	0.782	S	S	*	*			trans	94.4	135.9	165.8	-49	179.8	0	0	0	117.2
1236	S	27.5	Very low	28.8	Very low	86 Å²	86	120.9 Å²	120.9	60%	0.601	78%	0.784	S	S	*	*				-170.9	171	-52.6	56.2	0	0	0	0	113.2
1237	D	28.7	Very low	28.8	Very low	137 Å²	137	120.4 Å²	120.4	73%	0.733	78%	0.782	S	S	*	*			trans	83.2	127.3	146.6	-57.4	-42.1	0	0	0	127.4
1238	S	28.2	Very low	28.6	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	79%	0.789	S	S	*	*			trans	67.7	125.8	143.8	66.8	0	0	0	0	120.5
1239	V	26.9	Very low	28.4	Very low	127 Å²	127	120.8 Å²	120.8	77%	0.77	79%	0.793	S	S	*	*			cis	95.2	107.7	38.6	172.9	0	0	0	0	114
1240	H	28.3	Very low	28.4	Very low	189 Å²	189	118.8 Å²	118.8	88%	0.875	79%	0.79	S	S	*	*				-167.5	-177.9	126.6	-113.4	-79.4	0	0	0	111.9
1241	S	26.3	Very low	28.3	Very low	102 Å²	102	117.2 Å²	117.2	71%	0.713	77%	0.774	S	S	*	*			trans	-138.4	179.3	-148.7	-163.7	0	0	0	0	115.8
1242	C	25.9	Very low	28.4	Very low	128 Å²	128	119.7 Å²	119.7	87%	0.865	77%	0.766	S	S	*	*			trans	72.9	142.8	174.4	-55	0	0	0	0	116.2
1243	G	27.1	Very low	28.3	Very low	81 Å²	81	121.4 Å²	121.4	84%	0.835	76%	0.758	S	S	*	*			cis	160.3	155.3	-7	0	0	0	0	0	111.1
1244	G	27.8	Very low	28.2	Very low	86 Å²	86	120 Å²	120	89%	0.887	75%	0.749	S	S	*	*			trans	143.4	98.3	171.5	0	0	0	0	0	116.9
1245	S	28.2	Very low	28.4	Very low	97 Å²	97	117.4 Å²	117.4	68%	0.678	75%	0.749	S	S	*	*			trans	-57.1	146	173.4	-174.7	0	0	0	0	115.4
1246	N	29	Very low	28.4	Very low	151 Å²	151	116.6 Å²	116.6	81%	0.807	75%	0.751	S	S	*	*				179.8	159.8	108.8	-87.9	-24	0	0	0	115.1
1247	N	27.9	Very low	28.5	Very low	140 Å²	140	116.1 Å²	116.1	75%	0.749	76%	0.76	S	S	*	*			trans	-86.8	162	-172.3	-53.4	-36	0	0	0	113.6
1248	N	27.1	Very low	28.6	Very low	162 Å²	162	121.1 Å²	121.1	87%	0.866	77%	0.769	S	S	*	*				-174.2	159.8	110.9	-91	-17.6	0	0	0	113.4
1249	T	28.4	Very low	28.4	Very low	129 Å²	129	123.7 Å²	123.7	79%	0.791	77%	0.774	S	S	*	*			trans	-125.3	165.3	-176.8	48.4	0	0	0	0	112
1250	S	29.3	Very low	28.3	Very low	105 Å²	105	126 Å²	126	73%	0.734	78%	0.781	S	S	*	*			trans	123.9	148.2	147.2	-56	0	0	0	0	117.6
1251	G	29.6	Very low	28.1	Very low	54 Å²	54	121.5 Å²	121.5	56%	0.557	77%	0.771	S	S	*	*			trans	141.5	120.6	152.7	0	0	0	0	0	117.2
1252	L	32.1	Very low	28	Very low	138 Å²	138	122 Å²	122	72%	0.723	77%	0.77	S	S	*	*			trans	-149.3	140.4	-177.6	172.2	153.2	0	0	0	112.1	L1153 V1254	L1153-L1252 VanDerWaalsContact CD1-O 3.3Å; L1153-L1252 WeakPolarHBondContact CD1-O 3.36Å; L1153-L1252 WeakPolarHBondContact CD2-O 3.48Å; L1153-L1252 WeakPolarHBondContact CG-O 3.37Å; L1252-V1254 HydrophobicContact CD2-CG2 3.92Å
1253	I	28.1	Very low	28	Very low	106 Å²	106	121.9 Å²	121.9	54%	0.544	77%	0.765	S	S	.	*			trans	-139.1	139.5	174.2	-115.3	165	0	0	0	107.5	L1153	L1153-I1253 HydrophobicContact CD1-CB 4.45Å; L1153-I1253 HydrophobicContact CD1-CD1 3.69Å; L1153-I1253 HydrophobicContact CD1-CG1 3.65Å; L1153-I1253 HydrophobicContact CD2-CB 3.86Å; L1153-I1253 HydrophobicContact CD2-CD1 3.82Å; L1153-I1253 HydrophobicContact CD2-CG1 3.89Å; L1153-I1253 HydrophobicContact CG-CD1 4.34Å; L1153-I1253 HydrophobicContact CG-CG1 4.39Å
1254	V	28.6	Very low	27.9	Very low	108 Å²	108	121.5 Å²	121.5	66%	0.655	75%	0.754	S	S	*	*			cis	89.8	103.5	17.7	-173.8	0	0	0	0	116.2	L1252 T1256	L1252-V1254 HydrophobicContact CD2-CG2 3.92Å; V1254-T1256 HydrophobicContact CG1-CG2 4.37Å
1255	G	31.9	Very low	27.9	Very low	77 Å²	77	124.5 Å²	124.5	79%	0.794	75%	0.75	S	S	*	*			trans	-126.9	154.2	163.5	0	0	0	0	0	111.1
1256	T	28.9	Very low	27.9	Very low	139 Å²	139	121.8 Å²	121.8	85%	0.853	74%	0.738	S	S	*	*			trans	-135	150.5	-165.4	55.2	0	0	0	0	113.9	V1254	V1254-T1256 HydrophobicContact CG1-CG2 4.37Å
1257	G	30.4	Very low	27.9	Very low	76 Å²	76	118.4 Å²	118.4	78%	0.784	74%	0.738	S	S	*	*			trans	-163.1	57.9	-169	0	0	0	0	0	119.7
1258	R	30.1	Very low	28	Very low	242 Å²	242	118.4 Å²	118.4	91%	0.913	74%	0.738	S	S	*	*			trans	51	110.3	152.4	-67.9	-179.7	171.9	152.8	-1.3	122.1
1259	N	24.5	Very low	28.4	Very low	160 Å²	160	116 Å²	116	86%	0.856	72%	0.719	S	S	*	*			trans	5.5	129.9	139.4	-49.3	-0.2	0	0	0	120.9
1260	L	25.3	Very low	28.7	Very low	175 Å²	175	113.3 Å²	113.3	92%	0.916	70%	0.7	S	S	*	*				-153.4	155.8	121.9	-144.5	70.9	0	0	0	113.4
1261	S	24.4	Very low	28.7	Very low	95 Å²	95	116.6 Å²	116.6	66%	0.664	70%	0.696	S	S	*	*			trans	-23.1	126.6	-178.7	-128.9	0	0	0	0	122.1
1262	T	23.7	Very low	28.8	Very low	113 Å²	113	120.6 Å²	120.6	69%	0.693	70%	0.7	S	S	*	*				37	114	126.8	62.2	0	0	0	0	121
1263	T	25.7	Very low	28.9	Very low	126 Å²	126	122.5 Å²	122.5	77%	0.773	70%	0.703	S	S	*	*				-172	173.7	112.6	19.1	0	0	0	0	110.1
1264	A	25.5	Very low	29.1	Very low	73 Å²	73	125.4 Å²	125.4	60%	0.603	72%	0.716	S	S	*	*			trans	-135.6	169.8	-172.2	0	0	0	0	0	112.7
1265	D	27.3	Very low	29.3	Very low	148 Å²	148	129.5 Å²	129.5	79%	0.791	73%	0.728	S	S	*	*			trans	69.5	154.3	169.4	-53.2	-39	0	0	0	117.7
1266	G	27.8	Very low	29.3	Very low	41 Å²	41	135.3 Å²	135.3	42%	0.423	73%	0.731	S	S	.	*			trans	133.6	5.9	168	0	0	0	0	0	119.8
1267	G	28.8	Very low	29.3	Very low	80 Å²	80	136.8 Å²	136.8	83%	0.825	73%	0.732	S	S	*	*			trans	-111	60.1	-170.8	0	0	0	0	0	117
1268	L	30.1	Very low	29.2	Very low	140 Å²	140	138.7 Å²	138.7	73%	0.733	73%	0.733	S	S	*	*			trans	-120.4	102	-176.1	-170.7	82	0	0	0	113.1
1269	F	36	Very low	29.1	Very low	110 Å²	110	135.3 Å²	135.3	48%	0.482	73%	0.732	S	S	.	*			trans	-137.4	159.7	169.8	-85.4	-65.2	0	0	0	113.7
1270	I	34.2	Very low	29.4	Very low	74 Å²	74	138.1 Å²	138.1	38%	0.379	75%	0.754	S	S	.	*			trans	63.4	70	-178	-41.7	-178.6	0	0	0	113.8	V448 V456 I487	V448-I1270 HydrophobicContact CG2-CD1 4.48Å; V456-I1270 HydrophobicContact CG2-CD1 4.11Å; I487-I1270 HydrophobicContact CD1-CD1 3.92Å
1271	R	30.8	Very low	29.6	Very low	173 Å²	173	136.3 Å²	136.3	65%	0.653	75%	0.746	S	S	*	*			trans	-120.4	43.9	161.1	-132.7	179.2	-171.3	-175.6	2.5	112.6	H546	H546-R1271 PolarHBondContact CD2-NH2 2.98Å; H546-R1271 VanDerWaalsContact CD2-NH2 3.33Å; H546-R1271 PolarHBondContact NE2-NH2 3.37Å
1272	E	31.2	Very low	29.9	Very low	138 Å²	138	138.5 Å²	138.5	65%	0.645	75%	0.751	S	S	*	*			trans	-118.1	95	-179.4	-63.8	-163.1	142.4	0	0	112.7	Q374	Q374-E1272 PolarHBondContact NE2-OE1 3.01Å
1273	K	34.5	Very low	30.2	Very low	178 Å²	178	139.9 Å²	139.9	77%	0.774	75%	0.754	S	S	*	*	S	Bend	trans	-177.7	-22.3	149.3	-110.1	-179.5	177.8	-166.3	0	114.7	Q1275	K1273-Q1275 PolarHBondContact O-N 3.45Å
1274	M	32.4	Very low	30.5	Very low	167 Å²	167	140.7 Å²	140.7	82%	0.823	75%	0.753	S	S	*	*	S	Bend	trans	-89.1	5.2	-167.8	-77.1	-175.9	160.5	0	0	116.8
1275	Q	31.7	Very low	30.8	Very low	194 Å²	194	144.9 Å²	144.9	91%	0.907	76%	0.762	S	S	*	*			trans	-103.5	35.6	-170.2	-152.3	172.9	3.4	0	0	114.6	K1273	K1273-Q1275 PolarHBondContact O-N 3.45Å
1276	K	31.7	Very low	31	Very low	199 Å²	199	144.7 Å²	144.7	87%	0.865	76%	0.76	S	S	*	*	S	Bend	trans	-121.2	9.2	-175.7	-122.7	-178.2	-177	-175.9	0	116.7
1277	I	29.5	Very low	31.2	Very low	170 Å²	170	152.1 Å²	152.1	87%	0.872	78%	0.784	S	S	*	*	S	Bend	trans	-138	80.5	176.8	-51.4	178.1	0	0	0	109.6
1278	S	27.4	Very low	31.4	Very low	116 Å²	116	157.7 Å²	157.7	81%	0.811	78%	0.781	S	S	*	*			trans	-172.5	38.4	165.7	-170.2	0	0	0	0	114
1279	I	28.8	Very low	31.6	Very low	172 Å²	172	159.2 Å²	159.2	88%	0.882	79%	0.785	S	S	*	*			trans	-138.2	74.5	167.4	-49.8	-179.7	0	0	0	110
1280	V	30.4	Very low	31.1	Very low	219 Å²	219	163.6 Å²	163.6	100%	1.327	81%	0.813	S	S	*	*			trans	-143.9	0	151.9	179.7	0	0	0	0	105.9

Retrieved 1,280 of 1,280 residues in 443.7 ms (Link to these results)

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