A0A5K4FCJ9_SCHMA Loading...

Sema domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FCJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 865 aa.

						>A0A5K4FCJ9_SCHMA|A0A5K4FCJ9
MLHEYYIIYLVISLFHISITDQSPNRRENILHGSEMFVGKFCLISNEKILIFLGTNSSIIIVSISDEFFTRDTIAWPAVQHQSNVNFKKGHCDSVIYSVIQLKPDLYEICGKFDINVRCSILMKKGLVWSSLLEEHVFLGYPNSRIIYEYSDGYLTLAYLSNRYIPRLELKQLNLISNRIVNVNETLQDDTLHHLTDDSNIYDNDYWSLHGNSIRWNKLLETSKLKNSHFTEGYEFMFYKILSLPGKRYVVFQEPAIETQLRENPWTSERKIVYTRIARICTEDKGFLMPNDGSKLFTSFFKTRLVCQVRTKTKNLDESSSISSTNRDFNYLVALSTSYIPQIKNDLLIYGLFSARDPQLNNDISLKLTNNLVTSGPLALCIYKLSTVDKIIESSDLMLRLPTFTPFYYNEQMMNRINENYSKFNDESHLFLHCRHRYTNGFKRISRNKYPYLKNLTKCPGLTATNKRLSLEASLLIDSVYPERFNIFGMIETRSQITGFIIDPRHVAKIYQDKTQPGQIKHIRYTIFYIGTNNGDVFKMLLFNEIEDNSPEYFQFTSNSYGNHSTSTRRLLSHFNIHQSILSISTSGNIHIISQLLISKNHNNNKITNLLLLHKSYLNRTIQIRSSNEEFNYSTMDIFSLLIFTDDTMIQIQLSQCDKVKTCRECLALRDPDCYWNKLLQKCDTNSEGLSNILTGFHKDCGESNDVESEILKNSDIPVDLPAKGNFSTGLLFPFQNIWNLLFPGFVGIIIGLIIGIILFIIRKKYLKLSHSRRLSMTNHQTSINGSFKQIHNFTHNHQYNYPIHQSKQLHEISTSHLKFVTNSNIPMIDNRDLLLSPLNNLSIPYESQTIVEVMNTNKNNNNFI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	59.7	Low	78.3	Confident	182 Å²	182	135.8 Å²	135.8	90%	0.897	63%	0.632	S	S	*	*				0	-76.4	0	-60.2	-53.1	-85.5	0	0	112.9	H3 E4 Y5	M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.34Å; M1-E4 PolarHBondContact O-N 3.48Å; M1-Y5 PolarHBondContact O-N 3.46Å
2	L	72.7	Confident	78.4	Confident	162 Å²	162	132.1 Å²	132.1	85%	0.848	62%	0.619	S	S	*	*	H	α-helix	trans	-60.3	-36.4	-178.3	-96	141.3	0	0	0	114.2	Y6	L2-Y6 PolarHBondContact O-N 2.99Å
3	H	72.6	Confident	78.1	Confident	152 Å²	152	125.5 Å²	125.5	70%	0.704	60%	0.596	S	S	*	*	H	α-helix	trans	-72	-29	179.5	-148.4	-61.9	0	0	0	113.4	M1 I7	M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.34Å; H3-I7 WeakPolarHBondContact O-CG1 3.37Å; H3-I7 PolarHBondContact O-N 2.82Å
4	E	79.7	Confident	77.3	Confident	126 Å²	126	123.1 Å²	123.1	59%	0.589	59%	0.588	S	S	*	*	H	α-helix	trans	-75.5	-37.9	176.8	-70.5	-174.8	150.1	0	0	111.4	M1 Y6 I7 I8	M1-E4 PolarHBondContact O-N 3.48Å; E4-Y6 VanDerWaalsContact C-N 3.28Å; E4-Y6 PolarHBondContact O-N 3.45Å; E4-I7 PolarHBondContact O-N 3.35Å; E4-I8 WeakPolarHBondContact O-CG1 3.47Å; E4-I8 PolarHBondContact O-N 3.26Å
5	Y	81.9	Confident	76.3	Confident	186 Å²	186	124.1 Å²	124.1	73%	0.729	59%	0.589	S	S	*	*	H	α-helix	trans	-61.1	-37.8	175.2	-121.6	-86.5	0	0	0	112.2	M1 Y9	M1-Y5 PolarHBondContact O-N 3.46Å; Y5-Y9 WeakPolarHBondContact O-CB 3.44Å; Y5-Y9 PolarHBondContact O-N 3.16Å
6	Y	83.3	Confident	74.7	Confident	169 Å²	169	124.3 Å²	124.3	66%	0.663	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-38.8	178.8	-149.6	-90.1	0	0	0	112.1	L2 E4 Y9 L10	L2-Y6 PolarHBondContact O-N 2.99Å; E4-Y6 VanDerWaalsContact C-N 3.28Å; E4-Y6 PolarHBondContact O-N 3.45Å; Y6-Y9 PolarHBondContact O-N 3.32Å; Y6-L10 HydrophobicContact CD1-CD1 4.49Å; Y6-L10 HydrophobicContact CE1-CD1 4.4Å; Y6-L10 WeakPolarHBondContact O-CB 3.41Å; Y6-L10 PolarHBondContact O-N 3.31Å
7	I	82.7	Confident	73.4	Confident	96 Å²	96	122.4 Å²	122.4	49%	0.492	58%	0.582	S	S	.	*	H	α-helix	trans	-67.2	-43.7	176.8	-66	168.6	0	0	0	110.4	H3 E4 Y9 L10 V11	H3-I7 WeakPolarHBondContact O-CG1 3.37Å; H3-I7 PolarHBondContact O-N 2.82Å; E4-I7 PolarHBondContact O-N 3.35Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 3.46Å; I7-L10 PolarHBondContact O-N 2.77Å; I7-V11 HydrophobicContact CG2-CG2 4.4Å; I7-V11 WeakPolarHBondContact O-CG2 3.11Å; I7-V11 PolarHBondContact O-N 3.25Å
8	I	83.8	Confident	72	Confident	97 Å²	97	120.1 Å²	120.1	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-60.7	-43.5	176.6	-67.5	166.4	0	0	0	110.7	E4 L10 V11 I12	E4-I8 WeakPolarHBondContact O-CG1 3.47Å; E4-I8 PolarHBondContact O-N 3.26Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.84Å; I8-V11 PolarHBondContact O-N 3.07Å; I8-I12 HydrophobicContact CG2-CD1 3.74Å; I8-I12 HydrophobicContact CG2-CG1 4.41Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.13Å; I8-I12 PolarHBondContact O-N 3.45Å
9	Y	83.1	Confident	70.5	Confident	165 Å²	165	120 Å²	120	65%	0.647	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-39.6	176.6	-173	-96.1	0	0	0	112.4	Y5 Y6 I7 I12 S13	Y5-Y9 WeakPolarHBondContact O-CB 3.44Å; Y5-Y9 PolarHBondContact O-N 3.16Å; Y6-Y9 PolarHBondContact O-N 3.32Å; I7-Y9 VanDerWaalsContact C-N 3.33Å; I7-Y9 PolarHBondContact O-N 3.46Å; Y9-I12 PolarHBondContact O-N 3.35Å; Y9-S13 VanDerWaalsContact O-CB 3.3Å; Y9-S13 WeakPolarHBondContact O-CB 3.27Å; Y9-S13 PolarHBondContact O-N 3.27Å
10	L	81.4	Confident	69	Low	88 Å²	88	118.6 Å²	118.6	46%	0.461	58%	0.581	S	S	.	*	H	α-helix	trans	-68.1	-39.1	178.5	-142.5	157.2	0	0	0	111.3	Y6 I7 I8 S13 L14	Y6-L10 HydrophobicContact CD1-CD1 4.49Å; Y6-L10 HydrophobicContact CE1-CD1 4.4Å; Y6-L10 WeakPolarHBondContact O-CB 3.41Å; Y6-L10 PolarHBondContact O-N 3.31Å; I7-L10 PolarHBondContact O-N 2.77Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.84Å; L10-S13 PolarHBondContact O-N 3.05Å; L10-L14 HydrophobicContact CD2-CD1 3.49Å; L10-L14 VanDerWaalsContact CD2-CD1 3.49Å; L10-L14 HydrophobicContact CD2-CG 3.98Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 WeakPolarHBondContact O-CG 3.07Å; L10-L14 PolarHBondContact O-N 3.37Å
11	V	80.9	Confident	67.3	Low	71 Å²	71	119.9 Å²	119.9	43%	0.43	59%	0.591	S	S	.	*	H	α-helix	trans	-65.5	-43.5	173.4	174.3	0	0	0	0	111.2	I7 I8 S13 L14 F15	I7-V11 HydrophobicContact CG2-CG2 4.4Å; I7-V11 WeakPolarHBondContact O-CG2 3.11Å; I7-V11 PolarHBondContact O-N 3.25Å; I8-V11 PolarHBondContact O-N 3.07Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.44Å; V11-L14 PolarHBondContact O-N 3.19Å; V11-F15 HydrophobicContact CG1-CD2 3.92Å; V11-F15 HydrophobicContact CG1-CE2 4.27Å; V11-F15 WeakPolarHBondContact O-CB 3.11Å; V11-F15 PolarHBondContact O-N 3.16Å
12	I	79.3	Confident	66.2	Low	91 Å²	91	118.8 Å²	118.8	47%	0.467	58%	0.584	S	S	.	*	H	α-helix	trans	-63.3	-41.4	175.8	-68.2	166.9	0	0	0	110.8	I8 Y9 F15 H16	I8-I12 HydrophobicContact CG2-CD1 3.74Å; I8-I12 HydrophobicContact CG2-CG1 4.41Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.13Å; I8-I12 PolarHBondContact O-N 3.45Å; Y9-I12 PolarHBondContact O-N 3.35Å; I12-F15 PolarHBondContact O-N 3.44Å; I12-H16 WeakPolarHBondContact O-CB 3.2Å; I12-H16 PolarHBondContact O-N 3.33Å
13	S	73.8	Confident	64.6	Low	47 Å²	47	115.4 Å²	115.4	33%	0.329	57%	0.574	S	S	.	*	H	α-helix	trans	-65.2	-44.5	176.9	-174.5	0	0	0	0	111.6	Y9 L10 V11 F15 H16 I17	Y9-S13 VanDerWaalsContact O-CB 3.3Å; Y9-S13 WeakPolarHBondContact O-CB 3.27Å; Y9-S13 PolarHBondContact O-N 3.27Å; L10-S13 PolarHBondContact O-N 3.05Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.44Å; S13-F15 PolarHBondContact O-N 3.11Å; S13-H16 PolarHBondContact O-N 2.93Å; S13-I17 WeakPolarHBondContact O-CD1 3.41Å; S13-I17 VanDerWaalsContact O-CG1 3.22Å; S13-I17 WeakPolarHBondContact O-CG1 3.25Å; S13-I17 PolarHBondContact O-N 3.39Å
14	L	66.8	Low	63.1	Low	91 Å²	91	113.7 Å²	113.7	48%	0.476	58%	0.576	S	S	.	*	H	α-helix	trans	-64.9	-37.9	175.1	-76.7	167.8	0	0	0	112.3	L10 V11 I17 S18	L10-L14 HydrophobicContact CD2-CD1 3.49Å; L10-L14 VanDerWaalsContact CD2-CD1 3.49Å; L10-L14 HydrophobicContact CD2-CG 3.98Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 WeakPolarHBondContact O-CG 3.07Å; L10-L14 PolarHBondContact O-N 3.37Å; V11-L14 PolarHBondContact O-N 3.19Å; L14-I17 PolarHBondContact O-N 2.61Å; L14-S18 WeakPolarHBondContact O-CB 3.33Å; L14-S18 PolarHBondContact O-N 2.97Å; L14-S18 PolarHBondContact O-OG 3.23Å
15	F	62.6	Low	61.7	Low	139 Å²	139	110.1 Å²	110.1	61%	0.61	56%	0.561	S	S	*	*	H	α-helix	trans	-64.9	-41.8	171.8	-103.3	-88.3	0	0	0	111.4	V11 I12 S13 I17 S18 I19	V11-F15 HydrophobicContact CG1-CD2 3.92Å; V11-F15 HydrophobicContact CG1-CE2 4.27Å; V11-F15 WeakPolarHBondContact O-CB 3.11Å; V11-F15 PolarHBondContact O-N 3.16Å; I12-F15 PolarHBondContact O-N 3.44Å; S13-F15 PolarHBondContact O-N 3.11Å; F15-I17 VanDerWaalsContact C-N 3.34Å; F15-I17 PolarHBondContact O-N 3.08Å; F15-S18 PolarHBondContact O-N 3.15Å; F15-I19 WeakPolarHBondContact O-CD1 3.31Å; F15-I19 VanDerWaalsContact O-CG1 3.23Å; F15-I19 WeakPolarHBondContact O-CG1 3.35Å; F15-I19 PolarHBondContact O-N 3.23Å
16	H	51.3	Low	60.4	Low	127 Å²	127	110.4 Å²	110.4	59%	0.588	56%	0.561	S	S	*	*	H	α-helix	trans	-63.5	-39.6	175.2	-109	-69.9	0	0	0	112.2	I12 S13 T20	I12-H16 WeakPolarHBondContact O-CB 3.2Å; I12-H16 PolarHBondContact O-N 3.33Å; S13-H16 PolarHBondContact O-N 2.93Å; H16-T20 WeakPolarHBondContact O-CG2 3.29Å; H16-T20 PolarHBondContact O-N 2.63Å; H16-T20 PolarHBondContact O-OG1 2.78Å
17	I	52.1	Low	59.1	Low	92 Å²	92	107 Å²	107	47%	0.472	55%	0.547	S	S	.	.	H	α-helix	trans	-68.4	-41.9	176.7	-66.6	162.2	0	0	0	110.5	S13 L14 F15 I19 T20 D21	S13-I17 WeakPolarHBondContact O-CD1 3.41Å; S13-I17 VanDerWaalsContact O-CG1 3.22Å; S13-I17 WeakPolarHBondContact O-CG1 3.25Å; S13-I17 PolarHBondContact O-N 3.39Å; L14-I17 PolarHBondContact O-N 2.61Å; F15-I17 VanDerWaalsContact C-N 3.34Å; F15-I17 PolarHBondContact O-N 3.08Å; I17-I19 VanDerWaalsContact C-N 3.32Å; I17-I19 PolarHBondContact O-N 3.1Å; I17-T20 WeakPolarHBondContact CA-OG1 3.36Å; I17-T20 PolarHBondContact O-N 3.41Å; I17-T20 VanDerWaalsContact O-N 3.07Å; I17-T20 PolarHBondContact O-OG1 2.92Å; I17-D21 PolarHBondContact O-N 2.76Å
18	S	48.6	Very low	58.5	Low	81 Å²	81	105.8 Å²	105.8	57%	0.566	54%	0.539	S	S	*	.	H	α-helix	trans	-68	-30.7	-180	-54.6	0	0	0	0	112.6	L14 F15 T20	L14-S18 WeakPolarHBondContact O-CB 3.33Å; L14-S18 PolarHBondContact O-N 2.97Å; L14-S18 PolarHBondContact O-OG 3.23Å; F15-S18 PolarHBondContact O-N 3.15Å; S18-T20 VanDerWaalsContact C-N 3.3Å
19	I	43.9	Very low	57.7	Low	118 Å²	118	106.1 Å²	106.1	61%	0.605	54%	0.542	S	S	*	.	H	α-helix	trans	-73.9	-23.7	173.8	-66.2	164.3	0	0	0	111.3	F15 I17	F15-I19 WeakPolarHBondContact O-CD1 3.31Å; F15-I19 VanDerWaalsContact O-CG1 3.23Å; F15-I19 WeakPolarHBondContact O-CG1 3.35Å; F15-I19 PolarHBondContact O-N 3.23Å; I17-I19 VanDerWaalsContact C-N 3.32Å; I17-I19 PolarHBondContact O-N 3.1Å
20	T	39	Very low	56.9	Low	91 Å²	91	100.1 Å²	100.1	56%	0.558	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-1	178.8	53.4	0	0	0	0	115.4	H16 I17 S18 Q22	H16-T20 WeakPolarHBondContact O-CG2 3.29Å; H16-T20 PolarHBondContact O-N 2.63Å; H16-T20 PolarHBondContact O-OG1 2.78Å; I17-T20 WeakPolarHBondContact CA-OG1 3.36Å; I17-T20 PolarHBondContact O-N 3.41Å; I17-T20 VanDerWaalsContact O-N 3.07Å; I17-T20 PolarHBondContact O-OG1 2.92Å; S18-T20 VanDerWaalsContact C-N 3.3Å; T20-Q22 PolarHBondContact O-N 2.79Å
21	D	34.7	Very low	56	Low	147 Å²	147	101.1 Å²	101.1	79%	0.786	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	1.8	175.2	-101.7	-6.8	0	0	0	113.9	I17 S23	I17-D21 PolarHBondContact O-N 2.76Å; D21-S23 PolarHBondContact O-N 2.78Å
22	Q	36.1	Very low	55.1	Low	158 Å²	158	99.6 Å²	99.6	74%	0.738	51%	0.514	S	S	*	.	S	Bend	trans	-70.4	111.5	155.2	-75.9	-173.3	-8.1	0	0	108.1	T20	T20-Q22 PolarHBondContact O-N 2.79Å
23	S	38.9	Very low	54	Low	92 Å²	92	98.2 Å²	98.2	64%	0.643	52%	0.522	S	S	*	.			trans	-38	117.5	178.8	64.8	0	0	0	0	110.8	D21 N25	D21-S23 PolarHBondContact O-N 2.78Å; S23-N25 PolarHBondContact O-N 3.02Å
24	P	41.8	Very low	53.7	Low	116 Å²	116	98.1 Å²	98.1	75%	0.753	52%	0.521	S	S	*	.			trans	-64	116.9	-175.4	22.5	-30.9	0	0	0	108.5	R26	P24-R26 PolarHBondContact O-N 3.39Å
25	N	50	Low	54.1	Low	51 Å²	51	100.7 Å²	100.7	27%	0.273	53%	0.531	S	S	.	.			trans	-52	105.7	166.3	-83.7	-19.9	0	0	0	107.5	S23 R27 T73	S23-N25 PolarHBondContact O-N 3.02Å; N25-R27 PolarHBondContact O-N 3.04Å; N25-T73 PolarHBondContact OD1-O 2.98Å
26	R	55	Low	54.9	Low	192 Å²	192	94.5 Å²	94.5	73%	0.725	50%	0.504	S	S	*	.			trans	-74	102.1	-179.6	-164.2	-175.8	-157.8	-171.4	5.1	108.2	P24	P24-R26 PolarHBondContact O-N 3.39Å
27	R	56.1	Low	56.4	Low	98 Å²	98	95 Å²	95	37%	0.37	51%	0.505	S	S	.	.			trans	-87.6	134.3	178.3	-179.5	174.6	-81.1	-179.6	-6	111.3	N25 R71 D72 L127	N25-R27 PolarHBondContact O-N 3.04Å; R27-R71 WeakPolarHBondContact CA-O 3.4Å; R27-D72 IonicContact NE-OD1 3.85Å; R27-D72 IonicContact NH2-OD1 3.64Å; R27-L127 PolarHBondContact NH2-O 3.07Å
28	E	68.8	Low	57.7	Low	70 Å²	70	91.1 Å²	91.1	33%	0.327	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.6	171.7	-70.5	170.1	171.1	0	0	109.3	R71	E28-R71 PolarHBondContact O-N 3.21Å; E28-R71 VanDerWaalsContact O-N 3.07Å; E28-R71 IonicContact OE2-NH1 3.78Å; E28-R71 PolarHBondContact OE2-NH1 3.21Å
29	N	66.9	Low	59.3	Low	103 Å²	103	88.1 Å²	88.1	55%	0.551	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	129	174.6	-65	-6.3	0	0	0	108.8	F68 F69 T70	N29-F68 HydrophobicContact CB-CB 4.42Å; N29-F68 HydrophobicContact CB-CG 4.49Å; N29-F69 WeakPolarHBondContact CA-O 3.26Å; N29-T70 WeakPolarHBondContact OD1-CG2 3.35Å
30	I	65.9	Low	61.3	Low	39 Å²	39	88.8 Å²	88.8	20%	0.2	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.7	-172.3	-60.2	166.1	0	0	0	110	M36 F68 F69	I30-M36 HydrophobicContact CD1-CE 3.36Å; I30-M36 HydrophobicContact CD1-CG 3.81Å; I30-M36 HydrophobicContact CD1-SD 3.5Å; I30-M36 VanDerWaalsContact CD1-SD 3.5Å; I30-F68 CarbonylContact O-C 3.34Å; I30-F68 WeakPolarHBondContact O-CA 3.32Å; I30-F68 WeakPolarHBondContact O-CB 3.5Å; I30-F69 PolarHBondContact N-O 3.37Å; I30-F69 PolarHBondContact O-N 3.28Å
31	L	63.4	Low	63.8	Low	110 Å²	110	84.7 Å²	84.7	58%	0.576	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	144.4	-175	-168.8	74.5	0	0	0	112.5	S34 F68	L31-S34 PolarHBondContact O-OG 3.09Å; L31-F68 HydrophobicContact CB-CD1 4.19Å; L31-F68 HydrophobicContact CB-CE1 4.19Å; L31-F68 HydrophobicContact CD1-CD1 3.97Å; L31-F68 HydrophobicContact CD1-CE1 3.45Å; L31-F68 VanDerWaalsContact CD1-CE1 3.45Å; L31-F68 HydrophobicContact CD1-CZ 4.14Å; L31-F68 HydrophobicContact CG-CE1 4.44Å
32	H	61.2	Low	66.4	Low	38 Å²	38	78.6 Å²	78.6	18%	0.176	41%	0.409	C	S	.	.	S	Bend	trans	-57.1	155.7	171.8	-76.7	-63.5	0	0	0	114.3	S65 D66 E67 F69 Q651	H32-S65 PolarHBondContact NE2-O 3.49Å; H32-D66 PolarHBondContact CD2-O 3.06Å; H32-D66 VanDerWaalsContact CD2-O 3.31Å; H32-E67 PolarHBondContact CD2-O 3.31Å; H32-F69 AromaticContact CE1-CE2 3.71Å; H32-F69 AromaticContact CE1-CZ 3.61Å; H32-F69 AromaticContact ND1-CE2 3.39Å; H32-F69 WeakPolarHBondContact ND1-CE2 3.5Å; H32-F69 AromaticContact ND1-CZ 3.59Å; H32-Q651 PolarHBondContact ND1-OE1 2.81Å
33	G	57.8	Low	69	Low	62 Å²	62	72.4 Å²	72.4	64%	0.639	38%	0.38	S	S	*	.	S	Bend	trans	79.1	19.3	175.8	0	0	0	0	0	114.7
34	S	66.6	Low	71.5	Confident	45 Å²	45	69.6 Å²	69.6	32%	0.315	36%	0.358	S	S	.	.	S	Bend	trans	-117.6	160.7	-177.6	60.9	0	0	0	0	112.6	L31	L31-S34 PolarHBondContact O-OG 3.09Å
35	E	76.1	Confident	73.9	Confident	145 Å²	145	65.4 Å²	65.4	68%	0.678	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.7	160.9	-63	-176.8	172.5	0	0	108.1	I650	E35-I650 HydrophobicContact CG-CD1 4.42Å; E35-I650 HydrophobicContact CG-CG1 4.1Å; E35-I650 HydrophobicContact CG-CG2 4.22Å
36	M	79.1	Confident	76	Confident	9 Å²	9	66 Å²	66	4%	0.044	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.3	176.6	174.2	176	175.5	0	0	109.2	I30 V38 R71 T648 M649	I30-M36 HydrophobicContact CD1-CE 3.36Å; I30-M36 HydrophobicContact CD1-CG 3.81Å; I30-M36 HydrophobicContact CD1-SD 3.5Å; I30-M36 VanDerWaalsContact CD1-SD 3.5Å; M36-V38 HydrophobicContact CE-CG2 3.84Å; M36-V38 HydrophobicContact CG-CG2 3.8Å; M36-V38 PolarHBondContact O-N 3.47Å; M36-V38 HydrophobicContact SD-CG2 4.14Å; M36-R71 HydrophobicContact CE-CB 4.33Å; M36-R71 HydrophobicContact CE-CG 4.38Å; M36-T648 CarbonylContact O-C 3.44Å; M36-T648 VanDerWaalsContact O-CA 3.24Å; M36-T648 WeakPolarHBondContact O-CA 2.95Å; M36-M649 HydrophobicContact CB-CB 4.38Å; M36-M649 HydrophobicContact CE-CE 4.09Å; M36-M649 HydrophobicContact CG-CE 4.29Å; M36-M649 PolarHBondContact N-O 2.83Å; M36-M649 PolarHBondContact O-N 2.95Å; M36-M649 HydrophobicContact SD-CE 3.32Å; M36-M649 WeakPolarHBondContact SD-CE 3.38Å
37	F	82.4	Confident	77.7	Confident	139 Å²	139	58.5 Å²	58.5	61%	0.61	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.1	167.8	-173.5	-95.6	0	0	0	109.9	D647 T648	F37-D647 HydrophobicContact CD2-CB 4.42Å; F37-D647 HydrophobicContact CE2-CB 3.86Å; F37-D647 WeakPolarHBondContact CE2-OD2 3.24Å; F37-T648 HydrophobicContact CB-CG2 4.26Å; F37-T648 HydrophobicContact CD2-CG2 3.76Å; F37-T648 HydrophobicContact CG-CG2 4.47Å
38	V	80.1	Confident	79.4	Confident	9 Å²	9	58.4 Å²	58.4	6%	0.055	31%	0.31	C	S	.	.			trans	-103.6	-19.4	-178.5	-172.5	0	0	0	0	111.2	M36 F41 L53 I60 R71 D647 M649	M36-V38 HydrophobicContact CE-CG2 3.84Å; M36-V38 HydrophobicContact CG-CG2 3.8Å; M36-V38 PolarHBondContact O-N 3.47Å; M36-V38 HydrophobicContact SD-CG2 4.14Å; V38-F41 HydrophobicContact CB-CD1 3.56Å; V38-F41 HydrophobicContact CB-CE1 3.65Å; V38-F41 HydrophobicContact CG1-CD1 3.81Å; V38-F41 HydrophobicContact CG1-CE1 4.3Å; V38-F41 HydrophobicContact CG2-CD1 4.22Å; V38-F41 HydrophobicContact CG2-CE1 3.84Å; V38-L53 HydrophobicContact CG1-CD1 4.01Å; V38-I60 HydrophobicContact CG1-CD1 3.57Å; V38-I60 HydrophobicContact CG1-CG2 4.24Å; V38-R71 PolarHBondContact O-NH2 3.48Å; V38-D647 PolarHBondContact N-O 2.84Å; V38-M649 HydrophobicContact CG2-CE 4.02Å; V38-M649 HydrophobicContact CG2-CG 4.06Å
39	G	81.5	Confident	80.4	Confident	18 Å²	18	58.6 Å²	58.6	19%	0.186	31%	0.312	C	S	.	.			trans	89	175.4	-167	0	0	0	0	0	110.8	F41 D647	G39-F41 WeakPolarHBondContact O-CD1 3.22Å; G39-F41 PolarHBondContact O-N 3.03Å; G39-F41 VanDerWaalsContact O-N 3.12Å; G39-D647 PolarHBondContact N-O 3.15Å; G39-D647 WeakPolarHBondContact O-CA 3.49Å
40	K	86.9	Confident	81.7	Confident	133 Å²	133	53.8 Å²	53.8	58%	0.578	29%	0.287	S	S	*	.	S	Bend	trans	-61.2	118.8	-175	-169.3	179.5	176.2	-171	0	111.8	D93 D646	K40-D93 IonicContact NZ-OD2 2.66Å; K40-D93 PolarHBondContact NZ-OD2 3.36Å; K40-D646 VanDerWaalsContact CA-O 3.32Å; K40-D646 WeakPolarHBondContact CA-O 3.41Å
41	F	89.8	Confident	83	Confident	5 Å²	5	52 Å²	52	2%	0.022	28%	0.277	C	S	.	.			trans	-142.1	173	-179.3	69.2	-100.7	0	0	0	112.5	V38 G39 L53 G54 T55 F644 D646 D647 M649	V38-F41 HydrophobicContact CB-CD1 3.56Å; V38-F41 HydrophobicContact CB-CE1 3.65Å; V38-F41 HydrophobicContact CG1-CD1 3.81Å; V38-F41 HydrophobicContact CG1-CE1 4.3Å; V38-F41 HydrophobicContact CG2-CD1 4.22Å; V38-F41 HydrophobicContact CG2-CE1 3.84Å; G39-F41 WeakPolarHBondContact O-CD1 3.22Å; G39-F41 PolarHBondContact O-N 3.03Å; G39-F41 VanDerWaalsContact O-N 3.12Å; F41-L53 HydrophobicContact CB-CB 4.18Å; F41-L53 HydrophobicContact CD1-CD1 4.35Å; F41-L53 HydrophobicContact CD2-CB 4.18Å; F41-L53 HydrophobicContact CD2-CD1 4.05Å; F41-L53 HydrophobicContact CD2-CD2 3.75Å; F41-L53 HydrophobicContact CD2-CG 4.21Å; F41-L53 HydrophobicContact CE2-CD1 4.26Å; F41-L53 HydrophobicContact CE2-CD2 3.93Å; F41-L53 HydrophobicContact CG-CB 4.28Å; F41-L53 HydrophobicContact CG-CD1 4.15Å; F41-G54 CarbonylContact C-O 3.24Å; F41-G54 WeakPolarHBondContact CA-O 3.25Å; F41-T55 HydrophobicContact CB-CG2 4.4Å; F41-F644 HydrophobicContact CE2-CB 4.38Å; F41-F644 AromaticContact CE2-CD1 3.84Å; F41-F644 HydrophobicContact CE2-CD1 3.84Å; F41-F644 HydrophobicContact CZ-CD1 4.11Å; F41-D646 PolarHBondContact N-O 2.88Å; F41-D647 VanDerWaalsContact CE1-C 3.46Å; F41-M649 HydrophobicContact CE1-CG 4.32Å; F41-M649 HydrophobicContact CZ-CG 3.86Å
42	C	89.9	Confident	84.5	Confident	18 Å²	18	46.7 Å²	46.7	12%	0.122	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.6	164.7	-51	0	0	0	0	110.8	I44 L53 G54 C92	C42-I44 HydrophobicContact CB-CD1 4.31Å; C42-I44 PolarHBondContact O-N 2.68Å; C42-L53 CarbonylContact O-C 3.56Å; C42-L53 VanDerWaalsContact O-CA 3.31Å; C42-L53 WeakPolarHBondContact O-CA 3.5Å; C42-G54 PolarHBondContact N-O 3.33Å; C42-G54 PolarHBondContact O-N 2.9Å; C42-C92 HydrophobicContact CB-CB 3.96Å; C42-C92 WeakPolarHBondContact CB-SG 3.38Å; C42-C92 WeakPolarHBondContact SG-CA 3.44Å; C42-C92 WeakPolarHBondContact SG-CB 3.43Å; C42-C92 CovalentContact SG-SG 1.99Å; C42-C92 PolarHBondContact SG-SG 3.28Å
43	L	91.7	Very high	86.1	Confident	28 Å²	28	44.9 Å²	44.9	15%	0.147	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	117.1	169.8	178.9	59.9	0	0	0	109.7	I51 L53 N609 L611 F644	L43-I51 HydrophobicContact CD1-CG2 3.45Å; L43-I51 VanDerWaalsContact CD1-CG2 3.45Å; L43-L53 HydrophobicContact CB-CD2 4.17Å; L43-L53 HydrophobicContact CD1-CD2 3.8Å; L43-N609 HydrophobicContact CD2-CB 3.77Å; L43-N609 WeakPolarHBondContact CD2-ND2 3.5Å; L43-L611 HydrophobicContact CD2-CD1 4.11Å; L43-L611 HydrophobicContact CD2-CG 4.38Å; L43-F644 HydrophobicContact CD1-CE1 4.47Å; L43-F644 HydrophobicContact CD2-CD2 4.3Å; L43-F644 HydrophobicContact CD2-CE1 4.45Å; L43-F644 HydrophobicContact CD2-CE2 4.16Å; L43-F644 HydrophobicContact CD2-CZ 4.21Å
44	I	90.6	Very high	87.7	Confident	34 Å²	34	42 Å²	42	17%	0.174	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-51.1	179.7	-55	-55.6	0	0	0	110.5	C42 F52 I96 V99	C42-I44 HydrophobicContact CB-CD1 4.31Å; C42-I44 PolarHBondContact O-N 2.68Å; I44-F52 PolarHBondContact N-O 3Å; I44-I96 HydrophobicContact CD1-CB 4.41Å; I44-I96 WeakPolarHBondContact CD1-O 3.26Å; I44-I96 HydrophobicContact CG1-CB 4.16Å; I44-I96 HydrophobicContact CG1-CG2 4.17Å; I44-I96 HydrophobicContact CG2-CG2 4.14Å; I44-V99 HydrophobicContact CG2-CG2 4.04Å
45	S	92.1	Very high	88.8	Confident	27 Å²	27	40.3 Å²	40.3	19%	0.189	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	160.4	-176.8	-169.5	0	0	0	0	110	F52	S45-F52 PolarHBondContact O-N 3.33Å
46	N	93.3	Very high	89.3	Confident	64 Å²	64	38.7 Å²	38.7	34%	0.342	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.9	175.2	68.4	-82.4	0	0	0	110.2	L50 L611 I624	N46-L50 WeakPolarHBondContact CA-O 3.23Å; N46-L611 HydrophobicContact CB-CD1 3.93Å; N46-I624 HydrophobicContact CB-CD1 4.31Å
47	E	91.2	Very high	89.6	Confident	35 Å²	35	41 Å²	41	16%	0.164	21%	0.212	C	C	.	.			trans	-113.9	-163.1	170.3	-56.6	-158.2	143.9	0	0	110.5	L50 F52 Q101 Y107 I624	E47-L50 HydrophobicContact CB-CB 4.34Å; E47-L50 HydrophobicContact CG-CB 4.46Å; E47-L50 PolarHBondContact N-O 3.44Å; E47-F52 HydrophobicContact CG-CE2 4.14Å; E47-Q101 WeakPolarHBondContact OE1-CB 3.03Å; E47-Q101 VanDerWaalsContact OE1-CG 3.25Å; E47-Q101 WeakPolarHBondContact OE1-CG 2.95Å; E47-Q101 PolarHBondContact OE1-NE2 2.93Å; E47-Q101 PolarHBondContact OE1-OE1 3.33Å; E47-Q101 PolarHBondContact OE2-NE2 2.71Å; E47-Y107 WeakPolarHBondContact OE1-CE1 3.27Å; E47-Y107 PolarHBondContact OE2-OH 3.45Å; E47-I624 WeakPolarHBondContact O-CB 3.16Å; E47-I624 VanDerWaalsContact O-CD1 3.28Å; E47-I624 WeakPolarHBondContact O-CD1 3.21Å
48	K	91.3	Very high	89.9	Confident	96 Å²	96	35.2 Å²	35.2	42%	0.417	19%	0.189	S	C	.	.	S	Bend	trans	-66.9	-37.3	174.6	-63.7	-173.2	176.7	-172.3	0	112.2	Q623 I624 E629	K48-Q623 CarbonylContact O-C 3.6Å; K48-Q623 WeakPolarHBondContact O-CA 3.31Å; K48-I624 PolarHBondContact O-N 3.3Å; K48-E629 WeakPolarHBondContact CE-OE2 3.26Å; K48-E629 IonicContact NZ-OE1 3.41Å; K48-E629 IonicContact NZ-OE2 2.79Å; K48-E629 PolarHBondContact NZ-OE2 2.65Å; K48-E629 VanDerWaalsContact NZ-OE2 3.15Å
49	I	91.4	Very high	90.5	Very high	73 Å²	73	34.8 Å²	34.8	37%	0.374	19%	0.186	S	C	.	.	S	Bend	trans	-130.9	-2.6	-175.5	59.6	165	0	0	0	114.3	S63 I64 Q623	I49-S63 WeakPolarHBondContact O-CA 3.21Å; I49-I64 PolarHBondContact O-N 3.28Å; I49-Q623 HydrophobicContact CG2-CG 4.18Å
50	L	93.3	Very high	91	Very high	3 Å²	3	34 Å²	34	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.9	-179.1	-66.8	171.1	0	0	0	110.4	N46 E47 F52 I61 V62 Y107 W129	N46-L50 WeakPolarHBondContact CA-O 3.23Å; E47-L50 HydrophobicContact CB-CB 4.34Å; E47-L50 HydrophobicContact CG-CB 4.46Å; E47-L50 PolarHBondContact N-O 3.44Å; L50-F52 HydrophobicContact CB-CE2 3.92Å; L50-F52 HydrophobicContact CB-CZ 4.2Å; L50-F52 HydrophobicContact CD1-CZ 4.14Å; L50-I61 HydrophobicContact CD2-CG2 4.05Å; L50-V62 CarbonylContact C-O 3.56Å; L50-V62 WeakPolarHBondContact CA-O 3.43Å; L50-Y107 HydrophobicContact CD1-CE1 4.45Å; L50-Y107 HydrophobicContact CD1-CE2 4.29Å; L50-Y107 WeakPolarHBondContact CD1-OH 3.48Å; L50-W129 HydrophobicContact CD1-CH2 4.42Å
51	I	94.5	Very high	91.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.9	172.8	-58	163.8	0	0	0	107.4	L43 L53 V62 I64 I624 L642 F644	L43-I51 HydrophobicContact CD1-CG2 3.45Å; L43-I51 VanDerWaalsContact CD1-CG2 3.45Å; I51-L53 HydrophobicContact CG2-CD2 3.65Å; I51-L53 HydrophobicContact CG2-CG 4.08Å; I51-V62 HydrophobicContact CB-CB 4.23Å; I51-V62 PolarHBondContact N-O 3.13Å; I51-V62 PolarHBondContact O-N 3.06Å; I51-I64 HydrophobicContact CD1-CD1 3.85Å; I51-I64 HydrophobicContact CD1-CG1 4.25Å; I51-I64 HydrophobicContact CG1-CD1 4.2Å; I51-I624 HydrophobicContact CD1-CD1 4.07Å; I51-I624 HydrophobicContact CG1-CD1 3.61Å; I51-L642 HydrophobicContact CD1-CD2 3.45Å; I51-L642 VanDerWaalsContact CD1-CD2 3.45Å; I51-F644 HydrophobicContact CD1-CZ 4.14Å; I51-F644 HydrophobicContact CG2-CE1 4.02Å; I51-F644 HydrophobicContact CG2-CZ 4.16Å
52	F	94.8	Very high	91.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.3	179.2	-63.4	-87.9	0	0	0	109.9	I44 S45 E47 L50 I59 I61 V99 Y107 W129	I44-F52 PolarHBondContact N-O 3Å; S45-F52 PolarHBondContact O-N 3.33Å; E47-F52 HydrophobicContact CG-CE2 4.14Å; L50-F52 HydrophobicContact CB-CE2 3.92Å; L50-F52 HydrophobicContact CB-CZ 4.2Å; L50-F52 HydrophobicContact CD1-CZ 4.14Å; F52-I59 HydrophobicContact CB-CD1 4.4Å; F52-I59 HydrophobicContact CD1-CD1 3.97Å; F52-I61 HydrophobicContact CD1-CB 4.49Å; F52-I61 HydrophobicContact CD1-CD1 4.23Å; F52-I61 HydrophobicContact CD1-CG1 3.85Å; F52-I61 HydrophobicContact CD1-CG2 4.09Å; F52-I61 HydrophobicContact CE1-CD1 3.92Å; F52-I61 HydrophobicContact CE1-CG1 3.98Å; F52-I61 HydrophobicContact CE1-CG2 3.84Å; F52-I61 HydrophobicContact CZ-CG2 4.4Å; F52-V99 HydrophobicContact CB-CB 4.38Å; F52-V99 HydrophobicContact CB-CG1 4.44Å; F52-V99 HydrophobicContact CB-CG2 3.99Å; F52-V99 HydrophobicContact CD1-CG1 3.81Å; F52-V99 HydrophobicContact CD1-CG2 4.28Å; F52-V99 HydrophobicContact CD2-CB 4.46Å; F52-V99 HydrophobicContact CD2-CG1 3.84Å; F52-V99 HydrophobicContact CE1-CG1 3.92Å; F52-V99 HydrophobicContact CE2-CG1 3.94Å; F52-V99 HydrophobicContact CG-CB 4.23Å; F52-V99 HydrophobicContact CG-CG1 3.77Å; F52-V99 HydrophobicContact CG-CG2 4.15Å; F52-V99 HydrophobicContact CZ-CG1 4Å; F52-Y107 HydrophobicContact CE1-CD1 4.35Å; F52-Y107 HydrophobicContact CE2-CD1 4.14Å; F52-Y107 AromaticContact CE2-CE1 3.9Å; F52-Y107 HydrophobicContact CE2-CE1 3.9Å; F52-Y107 AromaticContact CZ-CD1 3.58Å; F52-Y107 HydrophobicContact CZ-CD1 3.58Å; F52-Y107 AromaticContact CZ-CE1 3.5Å; F52-Y107 HydrophobicContact CZ-CE1 3.5Å; F52-Y107 VanDerWaalsContact CZ-CE1 3.5Å; F52-Y107 HydrophobicContact CZ-CE2 4.48Å; F52-Y107 HydrophobicContact CZ-CG 4.13Å; F52-W129 HydrophobicContact CE1-CH2 4.4Å
53	L	93.7	Very high	91.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.6	179.5	-53.4	178.9	0	0	0	109.3	V38 F41 C42 L43 I51 I60 V62 F644 M649	V38-L53 HydrophobicContact CG1-CD1 4.01Å; F41-L53 HydrophobicContact CB-CB 4.18Å; F41-L53 HydrophobicContact CD1-CD1 4.35Å; F41-L53 HydrophobicContact CD2-CB 4.18Å; F41-L53 HydrophobicContact CD2-CD1 4.05Å; F41-L53 HydrophobicContact CD2-CD2 3.75Å; F41-L53 HydrophobicContact CD2-CG 4.21Å; F41-L53 HydrophobicContact CE2-CD1 4.26Å; F41-L53 HydrophobicContact CE2-CD2 3.93Å; F41-L53 HydrophobicContact CG-CB 4.28Å; F41-L53 HydrophobicContact CG-CD1 4.15Å; C42-L53 CarbonylContact O-C 3.56Å; C42-L53 VanDerWaalsContact O-CA 3.31Å; C42-L53 WeakPolarHBondContact O-CA 3.5Å; L43-L53 HydrophobicContact CB-CD2 4.17Å; L43-L53 HydrophobicContact CD1-CD2 3.8Å; I51-L53 HydrophobicContact CG2-CD2 3.65Å; I51-L53 HydrophobicContact CG2-CG 4.08Å; L53-I60 HydrophobicContact CB-CB 4.18Å; L53-I60 PolarHBondContact N-O 2.83Å; L53-I60 PolarHBondContact O-N 2.93Å; L53-V62 HydrophobicContact CD1-CG2 4.04Å; L53-F644 HydrophobicContact CD2-CD1 4.3Å; L53-F644 HydrophobicContact CD2-CE1 4.03Å; L53-M649 HydrophobicContact CD1-SD 3.9Å
54	G	91.3	Very high	91.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.4	176.4	0	0	0	0	0	111.1	F41 C42 S94	F41-G54 CarbonylContact C-O 3.24Å; F41-G54 WeakPolarHBondContact CA-O 3.25Å; C42-G54 PolarHBondContact N-O 3.33Å; C42-G54 PolarHBondContact O-N 2.9Å; G54-S94 WeakPolarHBondContact CA-OG 3.36Å; G54-S94 PolarHBondContact O-OG 3.45Å
55	T	90	Very high	91	Very high	11 Å²	11	27 Å²	27	7%	0.067	15%	0.151	C	C	.	.			trans	-100.7	-168.1	171.2	77.2	0	0	0	0	109.9	F41 S57 S58 I60 S94 V95	F41-T55 HydrophobicContact CB-CG2 4.4Å; T55-S57 VanDerWaalsContact C-N 3.3Å; T55-S57 PolarHBondContact OG1-N 2.81Å; T55-S57 VanDerWaalsContact OG1-N 3.15Å; T55-S58 PolarHBondContact N-O 3.26Å; T55-S58 WeakPolarHBondContact OG1-CA 3.33Å; T55-S58 PolarHBondContact OG1-N 2.67Å; T55-S58 PolarHBondContact OG1-O 3.27Å; T55-S58 PolarHBondContact OG1-OG 3.45Å; T55-I60 HydrophobicContact CG2-CD1 3.53Å; T55-I60 HydrophobicContact CG2-CG1 4.01Å; T55-S94 CarbonylContact O-C 3.48Å; T55-S94 VanDerWaalsContact O-CA 3.28Å; T55-S94 WeakPolarHBondContact O-CA 3.44Å; T55-S94 PolarHBondContact O-OG 2.9Å; T55-V95 WeakPolarHBondContact O-CG2 3.23Å; T55-V95 PolarHBondContact O-N 3.23Å
56	N	85.6	Confident	90.4	Very high	111 Å²	111	28.1 Å²	28.1	59%	0.594	16%	0.155	S	C	*	.	S	Bend	trans	-78.5	-8.5	172.9	64.6	-21.3	0	0	0	114	V95	N56-V95 WeakPolarHBondContact O-CG1 3.49Å
57	S	86.5	Confident	89.5	Confident	58 Å²	58	31.1 Å²	31.1	41%	0.406	17%	0.167	S	C	.	.	S	Bend	trans	-151.5	3.3	-175	63	0	0	0	0	114.6	T55 W76	T55-S57 VanDerWaalsContact C-N 3.3Å; T55-S57 PolarHBondContact OG1-N 2.81Å; T55-S57 VanDerWaalsContact OG1-N 3.15Å; S57-W76 CarbonylContact C-O 3.46Å; S57-W76 CarbonylContact O-C 3.45Å; S57-W76 VanDerWaalsContact O-C 3.24Å; S57-W76 WeakPolarHBondContact O-CA 3.36Å; S57-W76 PolarHBondContact O-N 2.94Å
58	S	89.4	Confident	89	Confident	16 Å²	16	32.7 Å²	32.7	11%	0.112	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	163	-177.2	63.4	0	0	0	0	111.3	T55 I74	T55-S58 PolarHBondContact N-O 3.26Å; T55-S58 WeakPolarHBondContact OG1-CA 3.33Å; T55-S58 PolarHBondContact OG1-N 2.67Å; T55-S58 PolarHBondContact OG1-O 3.27Å; T55-S58 PolarHBondContact OG1-OG 3.45Å; S58-I74 CarbonylContact C-O 3.45Å; S58-I74 VanDerWaalsContact CA-O 3.3Å; S58-I74 WeakPolarHBondContact CA-O 3.13Å; S58-I74 VanDerWaalsContact CB-O 3.26Å; S58-I74 WeakPolarHBondContact CB-O 3.46Å
59	I	91.4	Very high	88.6	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.1	163.2	-170.6	176	0	0	0	109	F52 I61 T73 I74 I96 V99 I109	F52-I59 HydrophobicContact CB-CD1 4.4Å; F52-I59 HydrophobicContact CD1-CD1 3.97Å; I59-I61 HydrophobicContact CG1-CG1 4.43Å; I59-T73 WeakPolarHBondContact O-CA 3.04Å; I59-I74 HydrophobicContact CG2-CB 3.69Å; I59-I74 HydrophobicContact CG2-CD1 4.46Å; I59-I74 HydrophobicContact CG2-CG1 4.43Å; I59-I74 HydrophobicContact CG2-CG2 4.35Å; I59-I74 PolarHBondContact N-O 3.46Å; I59-I74 PolarHBondContact O-N 2.83Å; I59-I96 HydrophobicContact CB-CD1 4.46Å; I59-I96 HydrophobicContact CB-CG1 4.15Å; I59-I96 HydrophobicContact CG1-CG1 4.48Å; I59-V99 HydrophobicContact CD1-CG2 3.96Å; I59-I109 HydrophobicContact CD1-CD1 3.71Å; I59-I109 HydrophobicContact CD1-CG2 4.17Å
60	I	91.7	Very high	88.3	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.9	175.1	-60.3	170.5	0	0	0	107.1	V38 L53 T55 V62 R71 D72 T73	V38-I60 HydrophobicContact CG1-CD1 3.57Å; V38-I60 HydrophobicContact CG1-CG2 4.24Å; L53-I60 HydrophobicContact CB-CB 4.18Å; L53-I60 PolarHBondContact N-O 2.83Å; L53-I60 PolarHBondContact O-N 2.93Å; T55-I60 HydrophobicContact CG2-CD1 3.53Å; T55-I60 HydrophobicContact CG2-CG1 4.01Å; I60-V62 HydrophobicContact CG2-CG2 4.14Å; I60-R71 HydrophobicContact CG2-CG 3.66Å; I60-D72 CarbonylContact C-O 3.49Å; I60-D72 WeakPolarHBondContact CA-O 3.3Å; I60-T73 HydrophobicContact CG1-CG2 4.15Å
61	I	92.9	Very high	88	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119	178.7	-50.3	175.1	0	0	0	107.2	L50 F52 I59 D72 I74 W129	L50-I61 HydrophobicContact CD2-CG2 4.05Å; F52-I61 HydrophobicContact CD1-CB 4.49Å; F52-I61 HydrophobicContact CD1-CD1 4.23Å; F52-I61 HydrophobicContact CD1-CG1 3.85Å; F52-I61 HydrophobicContact CD1-CG2 4.09Å; F52-I61 HydrophobicContact CE1-CD1 3.92Å; F52-I61 HydrophobicContact CE1-CG1 3.98Å; F52-I61 HydrophobicContact CE1-CG2 3.84Å; F52-I61 HydrophobicContact CZ-CG2 4.4Å; I59-I61 HydrophobicContact CG1-CG1 4.43Å; I61-D72 PolarHBondContact N-O 3.41Å; I61-D72 PolarHBondContact O-N 3.04Å; I61-I74 HydrophobicContact CD1-CD1 3.72Å; I61-W129 HydrophobicContact CB-CZ2 4.27Å; I61-W129 HydrophobicContact CD1-CD2 3.83Å; I61-W129 HydrophobicContact CD1-CE3 4.03Å; I61-W129 HydrophobicContact CD1-CH2 3.76Å; I61-W129 HydrophobicContact CD1-CZ2 3.56Å; I61-W129 HydrophobicContact CD1-CZ3 3.98Å; I61-W129 HydrophobicContact CG1-CZ2 4.49Å; I61-W129 HydrophobicContact CG2-CH2 4.17Å; I61-W129 HydrophobicContact CG2-CZ2 3.68Å
62	V	91.7	Very high	87.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.6	178.2	-176.5	0	0	0	0	108.5	L50 I51 L53 I60 F69 T70 M649	L50-V62 CarbonylContact C-O 3.56Å; L50-V62 WeakPolarHBondContact CA-O 3.43Å; I51-V62 HydrophobicContact CB-CB 4.23Å; I51-V62 PolarHBondContact N-O 3.13Å; I51-V62 PolarHBondContact O-N 3.06Å; L53-V62 HydrophobicContact CD1-CG2 4.04Å; I60-V62 HydrophobicContact CG2-CG2 4.14Å; V62-F69 HydrophobicContact CG1-CB 3.96Å; V62-F69 HydrophobicContact CG1-CD1 3.87Å; V62-F69 HydrophobicContact CG1-CG 4.29Å; V62-T70 CarbonylContact C-O 3.55Å; V62-T70 WeakPolarHBondContact CA-O 3.3Å; V62-M649 HydrophobicContact CG1-CE 4.2Å; V62-M649 HydrophobicContact CG2-CE 4.04Å
63	S	91	Very high	87.5	Confident	17 Å²	17	30.3 Å²	30.3	12%	0.119	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129	174	175.8	0	0	0	0	110	I49 T70	I49-S63 WeakPolarHBondContact O-CA 3.21Å; S63-T70 VanDerWaalsContact CB-OG1 3.23Å; S63-T70 WeakPolarHBondContact CB-OG1 3.4Å; S63-T70 PolarHBondContact N-O 3Å; S63-T70 PolarHBondContact O-N 3.39Å; S63-T70 PolarHBondContact O-OG1 2.03Å; S63-T70 VanDerWaalsContact O-OG1 3.06Å
64	I	89.1	Confident	87.3	Confident	7 Å²	7	31.8 Å²	31.8	4%	0.036	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.7	-175.2	-46.7	176.6	0	0	0	108.3	I49 I51 F69 L613 I622 I624	I49-I64 PolarHBondContact O-N 3.28Å; I51-I64 HydrophobicContact CD1-CD1 3.85Å; I51-I64 HydrophobicContact CD1-CG1 4.25Å; I51-I64 HydrophobicContact CG1-CD1 4.2Å; I64-F69 HydrophobicContact CB-CD1 4.42Å; I64-F69 HydrophobicContact CB-CE1 4.37Å; I64-F69 HydrophobicContact CD1-CE1 4.44Å; I64-F69 HydrophobicContact CG1-CD1 4.08Å; I64-F69 HydrophobicContact CG1-CE1 3.97Å; I64-F69 HydrophobicContact CG2-CD1 4.2Å; I64-F69 HydrophobicContact CG2-CE1 3.81Å; I64-L613 HydrophobicContact CD1-CD1 3.88Å; I64-L613 HydrophobicContact CG2-CD1 4.11Å; I64-I622 HydrophobicContact CB-CG2 4.28Å; I64-I622 HydrophobicContact CG2-CB 4.37Å; I64-I622 HydrophobicContact CG2-CD1 3.92Å; I64-I622 HydrophobicContact CG2-CG1 4.04Å; I64-I622 HydrophobicContact CG2-CG2 3.48Å; I64-I622 VanDerWaalsContact CG2-CG2 3.48Å; I64-I624 HydrophobicContact CD1-CD1 3.57Å; I64-I624 HydrophobicContact CD1-CG1 3.67Å
65	S	85.7	Confident	87.1	Confident	45 Å²	45	35.1 Å²	35.1	32%	0.315	20%	0.2	S	C	.	.			trans	-116	172.2	171.5	76.7	0	0	0	0	110.2	H32 E67 F68 I622	H32-S65 PolarHBondContact NE2-O 3.49Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 3.22Å; S65-F68 WeakPolarHBondContact CB-O 3.33Å; S65-F68 PolarHBondContact N-O 3.36Å; S65-F68 PolarHBondContact OG-N 2.92Å; S65-F68 VanDerWaalsContact OG-N 3.16Å; S65-F68 PolarHBondContact OG-O 3.2Å; S65-I622 VanDerWaalsContact C-CG2 3.47Å; S65-I622 WeakPolarHBondContact O-CG2 3.15Å
66	D	78.4	Confident	87	Confident	52 Å²	52	35.1 Å²	35.1	28%	0.278	20%	0.198	S	C	.	.	S	Bend	trans	-65.6	-27	-174.8	-167.1	34.7	0	0	0	114.5	H32 K615	H32-D66 PolarHBondContact CD2-O 3.06Å; H32-D66 VanDerWaalsContact CD2-O 3.31Å; D66-K615 PolarHBondContact O-NZ 3.14Å; D66-K615 WeakPolarHBondContact OD1-CD 3.25Å; D66-K615 WeakPolarHBondContact OD1-CE 3.36Å; D66-K615 IonicContact OD1-NZ 3.15Å; D66-K615 PolarHBondContact OD1-NZ 3.37Å; D66-K615 IonicContact OD2-NZ 2.74Å
67	E	73.9	Confident	86.5	Confident	127 Å²	127	33.5 Å²	33.5	59%	0.593	19%	0.194	S	C	*	.	S	Bend	trans	-108.9	-35.4	-176	-63.5	-177	168.3	0	0	112.6	H32 S65	H32-E67 PolarHBondContact CD2-O 3.31Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 3.22Å
68	F	80.7	Confident	85.6	Confident	68 Å²	68	33.3 Å²	33.3	30%	0.298	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.2	-171.3	-51.9	-80.7	0	0	0	113.4	N29 I30 L31 S65	N29-F68 HydrophobicContact CB-CB 4.42Å; N29-F68 HydrophobicContact CB-CG 4.49Å; I30-F68 CarbonylContact O-C 3.34Å; I30-F68 WeakPolarHBondContact O-CA 3.32Å; I30-F68 WeakPolarHBondContact O-CB 3.5Å; L31-F68 HydrophobicContact CB-CD1 4.19Å; L31-F68 HydrophobicContact CB-CE1 4.19Å; L31-F68 HydrophobicContact CD1-CD1 3.97Å; L31-F68 HydrophobicContact CD1-CE1 3.45Å; L31-F68 VanDerWaalsContact CD1-CE1 3.45Å; L31-F68 HydrophobicContact CD1-CZ 4.14Å; L31-F68 HydrophobicContact CG-CE1 4.44Å; S65-F68 WeakPolarHBondContact CB-O 3.33Å; S65-F68 PolarHBondContact N-O 3.36Å; S65-F68 PolarHBondContact OG-N 2.92Å; S65-F68 VanDerWaalsContact OG-N 3.16Å; S65-F68 PolarHBondContact OG-O 3.2Å
69	F	84.4	Confident	84	Confident	9 Å²	9	35.8 Å²	35.8	4%	0.039	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	133	156.5	-62.9	-75.8	0	0	0	108.9	N29 I30 H32 V62 I64 L613 L642	N29-F69 WeakPolarHBondContact CA-O 3.26Å; I30-F69 PolarHBondContact N-O 3.37Å; I30-F69 PolarHBondContact O-N 3.28Å; H32-F69 AromaticContact CE1-CE2 3.71Å; H32-F69 AromaticContact CE1-CZ 3.61Å; H32-F69 AromaticContact ND1-CE2 3.39Å; H32-F69 WeakPolarHBondContact ND1-CE2 3.5Å; H32-F69 AromaticContact ND1-CZ 3.59Å; V62-F69 HydrophobicContact CG1-CB 3.96Å; V62-F69 HydrophobicContact CG1-CD1 3.87Å; V62-F69 HydrophobicContact CG1-CG 4.29Å; I64-F69 HydrophobicContact CB-CD1 4.42Å; I64-F69 HydrophobicContact CB-CE1 4.37Å; I64-F69 HydrophobicContact CD1-CE1 4.44Å; I64-F69 HydrophobicContact CG1-CD1 4.08Å; I64-F69 HydrophobicContact CG1-CE1 3.97Å; I64-F69 HydrophobicContact CG2-CD1 4.2Å; I64-F69 HydrophobicContact CG2-CE1 3.81Å; F69-L613 HydrophobicContact CZ-CD2 4.45Å; F69-L642 HydrophobicContact CZ-CD1 4.47Å
70	T	85	Confident	82	Confident	24 Å²	24	44.9 Å²	44.9	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.7	173.2	51	0	0	0	0	109.1	N29 V62 S63	N29-T70 WeakPolarHBondContact OD1-CG2 3.35Å; V62-T70 CarbonylContact C-O 3.55Å; V62-T70 WeakPolarHBondContact CA-O 3.3Å; S63-T70 VanDerWaalsContact CB-OG1 3.23Å; S63-T70 WeakPolarHBondContact CB-OG1 3.4Å; S63-T70 PolarHBondContact N-O 3Å; S63-T70 PolarHBondContact O-N 3.39Å; S63-T70 PolarHBondContact O-OG1 2.03Å; S63-T70 VanDerWaalsContact O-OG1 3.06Å
71	R	85.6	Confident	79.8	Confident	46 Å²	46	51.2 Å²	51.2	17%	0.174	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.7	-176.5	-177.3	-166.2	177.3	-170.1	7.5	109.9	R27 E28 M36 V38 I60	R27-R71 WeakPolarHBondContact CA-O 3.4Å; E28-R71 PolarHBondContact O-N 3.21Å; E28-R71 VanDerWaalsContact O-N 3.07Å; E28-R71 IonicContact OE2-NH1 3.78Å; E28-R71 PolarHBondContact OE2-NH1 3.21Å; M36-R71 HydrophobicContact CE-CB 4.33Å; M36-R71 HydrophobicContact CE-CG 4.38Å; V38-R71 PolarHBondContact O-NH2 3.48Å; I60-R71 HydrophobicContact CG2-CG 3.66Å
72	D	90.1	Very high	77.3	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.011	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.5	166.4	-59.8	-40.3	0	0	0	108.7	R27 I60 I61 W129	R27-D72 IonicContact NE-OD1 3.85Å; R27-D72 IonicContact NH2-OD1 3.64Å; I60-D72 CarbonylContact C-O 3.49Å; I60-D72 WeakPolarHBondContact CA-O 3.3Å; I61-D72 PolarHBondContact N-O 3.41Å; I61-D72 PolarHBondContact O-N 3.04Å; D72-W129 PolarHBondContact OD2-NE1 3.21Å
73	T	89.4	Confident	75.2	Confident	40 Å²	40	63.9 Å²	63.9	25%	0.245	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.3	177.7	-56.8	0	0	0	0	109.5	N25 I59 I60	N25-T73 PolarHBondContact OD1-O 2.98Å; I59-T73 WeakPolarHBondContact O-CA 3.04Å; I60-T73 HydrophobicContact CG1-CG2 4.15Å
74	I	89.4	Confident	72.8	Confident	32 Å²	32	70.9 Å²	70.9	16%	0.164	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.3	178.2	-55.4	176.1	0	0	0	107.5	S58 I59 I61 L122 W129	S58-I74 CarbonylContact C-O 3.45Å; S58-I74 VanDerWaalsContact CA-O 3.3Å; S58-I74 WeakPolarHBondContact CA-O 3.13Å; S58-I74 VanDerWaalsContact CB-O 3.26Å; S58-I74 WeakPolarHBondContact CB-O 3.46Å; I59-I74 HydrophobicContact CG2-CB 3.69Å; I59-I74 HydrophobicContact CG2-CD1 4.46Å; I59-I74 HydrophobicContact CG2-CG1 4.43Å; I59-I74 HydrophobicContact CG2-CG2 4.35Å; I59-I74 PolarHBondContact N-O 3.46Å; I59-I74 PolarHBondContact O-N 2.83Å; I61-I74 HydrophobicContact CD1-CD1 3.72Å; I74-L122 HydrophobicContact CD1-CD1 3.38Å; I74-W129 HydrophobicContact CD1-CB 3.7Å; I74-W129 HydrophobicContact CD1-CD2 4.17Å; I74-W129 HydrophobicContact CD1-CG 3.78Å
75	A	87.8	Confident	70.6	Confident	70 Å²	70	74.2 Å²	74.2	58%	0.579	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	138.2	179.6	0	0	0	0	0	111
76	W	87	Confident	68.4	Low	10 Å²	10	80.1 Å²	80.1	4%	0.038	43%	0.434	C	S	.	.			trans	-127.8	79.4	175.5	-164.5	-84.3	0	0	0	108.7	S57 A78 V95 I96 I109 K112 R118	S57-W76 CarbonylContact C-O 3.46Å; S57-W76 CarbonylContact O-C 3.45Å; S57-W76 VanDerWaalsContact O-C 3.24Å; S57-W76 WeakPolarHBondContact O-CA 3.36Å; S57-W76 PolarHBondContact O-N 2.94Å; W76-A78 PolarHBondContact O-N 3.38Å; W76-V95 HydrophobicContact CB-CG2 4.13Å; W76-V95 HydrophobicContact CG-CG2 3.98Å; W76-I96 HydrophobicContact CB-CD1 4.45Å; W76-I96 HydrophobicContact CD2-CD1 3.58Å; W76-I96 HydrophobicContact CE3-CD1 3.86Å; W76-I96 HydrophobicContact CG-CD1 3.86Å; W76-I96 HydrophobicContact CZ2-CD1 4.32Å; W76-I96 HydrophobicContact CZ3-CD1 4.34Å; W76-I109 HydrophobicContact CH2-CG2 4.31Å; W76-I109 HydrophobicContact CZ3-CG2 4.07Å; W76-K112 PolarHBondContact NE1-O 3.43Å; W76-R118 HydrophobicContact CH2-CB 4.3Å; W76-R118 HydrophobicContact CH2-CG 4.02Å; W76-R118 WeakPolarHBondContact CH2-O 3.27Å; W76-R118 HydrophobicContact CZ2-CB 3.75Å; W76-R118 HydrophobicContact CZ2-CG 3.92Å; W76-R118 VanDerWaalsContact CZ2-O 3.31Å; W76-R118 WeakPolarHBondContact CZ2-O 3.39Å
77	P	75.6	Confident	66.8	Low	78 Å²	78	81.2 Å²	81.2	51%	0.506	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-62.7	121.3	-173.6	25.1	-32.9	0	0	0	110.5
78	A	66.7	Low	65.3	Low	53 Å²	53	83.8 Å²	83.8	44%	0.438	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-80	129.6	167.4	0	0	0	0	0	108.9	W76 Q80	W76-A78 PolarHBondContact O-N 3.38Å; A78-Q80 PolarHBondContact O-N 3.42Å
79	V	57.2	Low	63.5	Low	68 Å²	68	89.6 Å²	89.6	41%	0.412	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-66.6	120.5	169.8	-178	0	0	0	0	107.8	H81 F113 D114	V79-H81 PolarHBondContact O-N 3.49Å; V79-F113 HydrophobicContact CG2-CD2 4.38Å; V79-F113 HydrophobicContact CG2-CE1 4.2Å; V79-F113 HydrophobicContact CG2-CE2 3.76Å; V79-F113 HydrophobicContact CG2-CZ 3.66Å; V79-D114 HydrophobicContact CB-CB 4.24Å
80	Q	49.4	Very low	61.7	Low	192 Å²	192	91.4 Å²	91.4	90%	0.897	49%	0.492	S	S	*	.			trans	-76.9	86.4	178.7	-66.6	-174.3	-6	0	0	110	A78	A78-Q80 PolarHBondContact O-N 3.42Å
81	H	46	Very low	60.3	Low	135 Å²	135	94.9 Å²	94.9	63%	0.625	51%	0.506	S	S	*	.			trans	-100.7	124.7	154.1	-93.2	-60.3	0	0	0	109.7	V79 S83	V79-H81 PolarHBondContact O-N 3.49Å; H81-S83 PolarHBondContact O-N 3.18Å
82	Q	38.6	Very low	59.5	Low	194 Å²	194	95.6 Å²	95.6	91%	0.907	52%	0.517	S	S	*	.			trans	-61.1	76.8	167.1	-81.3	170.7	-33.9	0	0	109.4	N84	Q82-N84 PolarHBondContact O-N 3.39Å
83	S	47.5	Very low	58.6	Low	73 Å²	73	98.6 Å²	98.6	51%	0.51	53%	0.533	S	S	.	.			trans	-76.5	111.3	163.3	48.1	0	0	0	0	107.5	H81 V85	H81-S83 PolarHBondContact O-N 3.18Å; S83-V85 PolarHBondContact O-N 3.16Å
84	N	41.3	Very low	58.2	Low	164 Å²	164	97.4 Å²	97.4	88%	0.877	53%	0.527	S	S	*	.			trans	-65.3	14.9	173.6	-92	-8	0	0	0	113.8	Q82 N86	Q82-N84 PolarHBondContact O-N 3.39Å; N84-N86 PolarHBondContact O-N 2.97Å
85	V	43.6	Very low	57.8	Low	77 Å²	77	96.5 Å²	96.5	47%	0.467	52%	0.523	S	S	.	.			trans	-83.2	105.8	176.7	-175.2	0	0	0	0	107.4	S83 F87	S83-V85 PolarHBondContact O-N 3.16Å; V85-F87 HydrophobicContact CB-CD1 4.43Å; V85-F87 HydrophobicContact CB-CD2 4.17Å; V85-F87 HydrophobicContact CB-CE1 4Å; V85-F87 HydrophobicContact CB-CE2 3.69Å; V85-F87 HydrophobicContact CB-CZ 3.6Å; V85-F87 HydrophobicContact CG1-CD1 3.7Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.47Å; V85-F87 VanDerWaalsContact CG1-CE1 3.47Å; V85-F87 HydrophobicContact CG1-CE2 4.03Å; V85-F87 HydrophobicContact CG1-CG 4.09Å; V85-F87 HydrophobicContact CG1-CZ 3.66Å; V85-F87 HydrophobicContact CG2-CZ 4.28Å; V85-F87 WeakPolarHBondContact O-CD2 3.24Å; V85-F87 WeakPolarHBondContact O-CE2 3.45Å; V85-F87 PolarHBondContact O-N 3.46Å
86	N	37.9	Very low	57.8	Low	169 Å²	169	93.4 Å²	93.4	90%	0.904	50%	0.496	S	S	*	.			trans	-63.3	83.2	164.8	-90.9	-17.8	0	0	0	108.7	N84 K88	N84-N86 PolarHBondContact O-N 2.97Å; N86-K88 PolarHBondContact O-N 2.99Å
87	F	46.8	Very low	57.7	Low	75 Å²	75	94.8 Å²	94.8	33%	0.329	50%	0.502	S	S	.	.			trans	-63.7	126.6	171.6	-63	-73.6	0	0	0	108.1	V85 K89 N143	V85-F87 HydrophobicContact CB-CD1 4.43Å; V85-F87 HydrophobicContact CB-CD2 4.17Å; V85-F87 HydrophobicContact CB-CE1 4Å; V85-F87 HydrophobicContact CB-CE2 3.69Å; V85-F87 HydrophobicContact CB-CZ 3.6Å; V85-F87 HydrophobicContact CG1-CD1 3.7Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.47Å; V85-F87 VanDerWaalsContact CG1-CE1 3.47Å; V85-F87 HydrophobicContact CG1-CE2 4.03Å; V85-F87 HydrophobicContact CG1-CG 4.09Å; V85-F87 HydrophobicContact CG1-CZ 3.66Å; V85-F87 HydrophobicContact CG2-CZ 4.28Å; V85-F87 WeakPolarHBondContact O-CD2 3.24Å; V85-F87 WeakPolarHBondContact O-CE2 3.45Å; V85-F87 PolarHBondContact O-N 3.46Å; F87-K89 PolarHBondContact O-N 3.48Å; F87-N143 WeakPolarHBondContact CD1-ND2 3.48Å
88	K	42.1	Very low	58.3	Low	180 Å²	180	91.7 Å²	91.7	78%	0.783	48%	0.482	S	S	*	.			trans	-50.2	119.4	169.7	-80.2	-171.7	175.9	-171	0	107.1	N86 G90	N86-K88 PolarHBondContact O-N 2.99Å; K88-G90 PolarHBondContact O-N 3.4Å
89	K	41.7	Very low	59.5	Low	190 Å²	190	89.3 Å²	89.3	83%	0.826	46%	0.462	S	S	*	.			trans	-50.7	110.7	174.9	-74	178	178	176.2	0	107.8	F87	F87-K89 PolarHBondContact O-N 3.48Å
90	G	47.1	Very low	61.1	Low	47 Å²	47	86.3 Å²	86.3	49%	0.485	44%	0.444	S	S	.	.			trans	-66.7	170.5	173.1	0	0	0	0	0	109.9	K88 C92	K88-G90 PolarHBondContact O-N 3.4Å; G90-C92 PolarHBondContact O-N 3.49Å; G90-C92 VanDerWaalsContact O-N 3.08Å
91	H	54.9	Low	63.1	Low	98 Å²	98	81 Å²	81	45%	0.454	42%	0.419	S	S	.	.	S	Bend	trans	-61.5	-16.5	176.6	-146.6	76.9	0	0	0	113.2	K606	H91-K606 PolarHBondContact CD2-NZ 3.02Å; H91-K606 VanDerWaalsContact CE1-CE 3.43Å; H91-K606 WeakPolarHBondContact CE1-CE 2.98Å; H91-K606 PolarHBondContact CE1-NZ 2.96Å; H91-K606 PolarHBondContact ND1-NZ 3.33Å; H91-K606 WeakPolarHBondContact NE2-CE 3.04Å; H91-K606 PolarHBondContact NE2-NZ 3Å
92	C	69.8	Low	65.1	Low	60 Å²	60	75.3 Å²	75.3	41%	0.405	39%	0.393	S	S	.	.			trans	-151.1	124	-177.4	162.4	0	0	0	0	108.9	C42 G90 S94	C42-C92 HydrophobicContact CB-CB 3.96Å; C42-C92 WeakPolarHBondContact CB-SG 3.38Å; C42-C92 WeakPolarHBondContact SG-CA 3.44Å; C42-C92 WeakPolarHBondContact SG-CB 3.43Å; C42-C92 CovalentContact SG-SG 1.99Å; C42-C92 PolarHBondContact SG-SG 3.28Å; G90-C92 PolarHBondContact O-N 3.49Å; G90-C92 VanDerWaalsContact O-N 3.08Å; C92-S94 VanDerWaalsContact C-N 3.32Å; C92-S94 PolarHBondContact O-N 3.3Å; C92-S94 VanDerWaalsContact SG-CB 3.51Å; C92-S94 PolarHBondContact SG-N 2.95Å; C92-S94 VanDerWaalsContact SG-N 3.4Å
93	D	70.9	Confident	67.4	Low	66 Å²	66	71.1 Å²	71.1	35%	0.353	37%	0.372	S	S	.	.			trans	-95.6	33.9	178.2	-61.9	-40.7	0	0	0	111.8	K40	K40-D93 IonicContact NZ-OD2 2.66Å; K40-D93 PolarHBondContact NZ-OD2 3.36Å
94	S	80.4	Confident	69.3	Low	15 Å²	15	72.8 Å²	72.8	11%	0.105	38%	0.381	C	S	.	.			trans	-72.4	140.1	178.6	-173.4	0	0	0	0	111.3	G54 T55 C92 I96	G54-S94 WeakPolarHBondContact CA-OG 3.36Å; G54-S94 PolarHBondContact O-OG 3.45Å; T55-S94 CarbonylContact O-C 3.48Å; T55-S94 VanDerWaalsContact O-CA 3.28Å; T55-S94 WeakPolarHBondContact O-CA 3.44Å; T55-S94 PolarHBondContact O-OG 2.9Å; C92-S94 VanDerWaalsContact C-N 3.32Å; C92-S94 PolarHBondContact O-N 3.3Å; C92-S94 VanDerWaalsContact SG-CB 3.51Å; C92-S94 PolarHBondContact SG-N 2.95Å; C92-S94 VanDerWaalsContact SG-N 3.4Å; S94-I96 VanDerWaalsContact C-N 3.26Å; S94-I96 PolarHBondContact OG-N 3.46Å
95	V	81.4	Confident	71.5	Confident	13 Å²	13	68.8 Å²	68.8	8%	0.079	36%	0.359	C	S	.	.	S	Bend	trans	-73.9	-17.7	167.5	-68.3	0	0	0	0	112.4	T55 N56 W76 G111 K112	T55-V95 WeakPolarHBondContact O-CG2 3.23Å; T55-V95 PolarHBondContact O-N 3.23Å; N56-V95 WeakPolarHBondContact O-CG1 3.49Å; W76-V95 HydrophobicContact CB-CG2 4.13Å; W76-V95 HydrophobicContact CG-CG2 3.98Å; V95-G111 CarbonylContact O-C 3.58Å; V95-G111 VanDerWaalsContact O-C 3.29Å; V95-G111 WeakPolarHBondContact O-CA 3.25Å; V95-K112 HydrophobicContact CB-CB 4.37Å; V95-K112 PolarHBondContact O-N 3.1Å
96	I	87.3	Confident	73.8	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.4	-177.7	-53	-57.1	0	0	0	110	I44 I59 W76 S94 V99 I109	I44-I96 HydrophobicContact CD1-CB 4.41Å; I44-I96 WeakPolarHBondContact CD1-O 3.26Å; I44-I96 HydrophobicContact CG1-CB 4.16Å; I44-I96 HydrophobicContact CG1-CG2 4.17Å; I44-I96 HydrophobicContact CG2-CG2 4.14Å; I59-I96 HydrophobicContact CB-CD1 4.46Å; I59-I96 HydrophobicContact CB-CG1 4.15Å; I59-I96 HydrophobicContact CG1-CG1 4.48Å; W76-I96 HydrophobicContact CB-CD1 4.45Å; W76-I96 HydrophobicContact CD2-CD1 3.58Å; W76-I96 HydrophobicContact CE3-CD1 3.86Å; W76-I96 HydrophobicContact CG-CD1 3.86Å; W76-I96 HydrophobicContact CZ2-CD1 4.32Å; W76-I96 HydrophobicContact CZ3-CD1 4.34Å; S94-I96 VanDerWaalsContact C-N 3.26Å; S94-I96 PolarHBondContact OG-N 3.46Å; I96-V99 HydrophobicContact CG2-CG2 4.16Å; I96-I109 HydrophobicContact CD1-CG2 4.08Å; I96-I109 HydrophobicContact CG2-CG2 3.88Å
97	Y	85.1	Confident	76.3	Confident	39 Å²	39	57.9 Å²	57.9	15%	0.153	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-40.2	179.4	-62.5	-45.9	0	0	0	113.2	C110 K112 V117 P142 I146	Y97-C110 PolarHBondContact N-O 3.35Å; Y97-K112 HydrophobicContact CE2-CB 3.95Å; Y97-K112 WeakPolarHBondContact OH-CB 3.35Å; Y97-V117 HydrophobicContact CD2-CG1 4.27Å; Y97-V117 HydrophobicContact CD2-CG2 4.12Å; Y97-V117 HydrophobicContact CE2-CG2 3.91Å; Y97-P142 WeakPolarHBondContact CE1-O 3.48Å; Y97-P142 HydrophobicContact CE2-CB 4.41Å; Y97-P142 WeakPolarHBondContact OH-CB 3.5Å; Y97-P142 PolarHBondContact OH-O 3.03Å; Y97-I146 HydrophobicContact CG-CD1 4.3Å
98	S	88.5	Confident	78.4	Confident	13 Å²	13	54.5 Å²	54.5	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	145.9	-176.1	61.6	0	0	0	0	112.2	I109 C110	S98-I109 WeakPolarHBondContact O-CA 3.38Å; S98-C110 PolarHBondContact N-O 3.05Å; S98-C110 VanDerWaalsContact N-O 3.16Å; S98-C110 PolarHBondContact O-N 3.38Å; S98-C110 WeakPolarHBondContact OG-CB 3.42Å
99	V	92.1	Very high	80.7	Confident	3 Å²	3	46 Å²	46	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.6	168	-179.4	0	0	0	0	107.9	I44 F52 I59 I96 Y107 E108 I109 Y148	I44-V99 HydrophobicContact CG2-CG2 4.04Å; F52-V99 HydrophobicContact CB-CB 4.38Å; F52-V99 HydrophobicContact CB-CG1 4.44Å; F52-V99 HydrophobicContact CB-CG2 3.99Å; F52-V99 HydrophobicContact CD1-CG1 3.81Å; F52-V99 HydrophobicContact CD1-CG2 4.28Å; F52-V99 HydrophobicContact CD2-CB 4.46Å; F52-V99 HydrophobicContact CD2-CG1 3.84Å; F52-V99 HydrophobicContact CE1-CG1 3.92Å; F52-V99 HydrophobicContact CE2-CG1 3.94Å; F52-V99 HydrophobicContact CG-CB 4.23Å; F52-V99 HydrophobicContact CG-CG1 3.77Å; F52-V99 HydrophobicContact CG-CG2 4.15Å; F52-V99 HydrophobicContact CZ-CG1 4Å; I59-V99 HydrophobicContact CD1-CG2 3.96Å; I96-V99 HydrophobicContact CG2-CG2 4.16Å; V99-Y107 HydrophobicContact CG1-CD1 4.18Å; V99-E108 CarbonylContact C-O 3.51Å; V99-E108 WeakPolarHBondContact CA-O 3.02Å; V99-I109 HydrophobicContact CG1-CG1 4.24Å; V99-I109 HydrophobicContact CG2-CG1 4.16Å; V99-I109 HydrophobicContact CG2-CG2 4.31Å; V99-Y148 PolarHBondContact N-OH 2.85Å; V99-Y148 WeakPolarHBondContact O-CE2 3.44Å; V99-Y148 PolarHBondContact O-OH 3.33Å
100	I	91.1	Very high	82.9	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.9	-177	-61.6	164.6	0	0	0	108.8	L102 Y107 E108 Y148 Y150 L155 W216	I100-L102 HydrophobicContact CG2-CD2 4.12Å; I100-L102 PolarHBondContact O-N 3.39Å; I100-Y107 CarbonylContact O-C 3.56Å; I100-Y107 WeakPolarHBondContact O-CA 3.41Å; I100-E108 PolarHBondContact N-O 3.41Å; I100-E108 PolarHBondContact O-N 3.3Å; I100-Y148 HydrophobicContact CD1-CD2 4.33Å; I100-Y148 HydrophobicContact CG1-CD2 3.91Å; I100-Y148 HydrophobicContact CG1-CE2 3.77Å; I100-Y150 HydrophobicContact CG2-CD1 3.58Å; I100-Y150 HydrophobicContact CG2-CD2 4.43Å; I100-Y150 HydrophobicContact CG2-CE1 4.33Å; I100-Y150 HydrophobicContact CG2-CG 3.63Å; I100-L155 HydrophobicContact CD1-CD1 3.65Å; I100-L155 HydrophobicContact CD1-CD2 3.89Å; I100-L155 HydrophobicContact CD1-CG 4.41Å; I100-W216 HydrophobicContact CD1-CZ2 4.47Å
101	Q	91.4	Very high	84.8	Confident	81 Å²	81	35.3 Å²	35.3	38%	0.379	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.6	170.5	-168.4	-179.3	48.2	0	0	109.8	E47 K103 Y107 Y150	E47-Q101 WeakPolarHBondContact OE1-CB 3.03Å; E47-Q101 VanDerWaalsContact OE1-CG 3.25Å; E47-Q101 WeakPolarHBondContact OE1-CG 2.95Å; E47-Q101 PolarHBondContact OE1-NE2 2.93Å; E47-Q101 PolarHBondContact OE1-OE1 3.33Å; E47-Q101 PolarHBondContact OE2-NE2 2.71Å; Q101-K103 WeakPolarHBondContact CG-O 3.41Å; Q101-Y107 HydrophobicContact CB-CD1 4.27Å; Q101-Y107 HydrophobicContact CB-CE1 4.06Å; Q101-Y107 HydrophobicContact CG-CD1 4.44Å; Q101-Y107 HydrophobicContact CG-CE1 3.95Å; Q101-Y107 PolarHBondContact NE2-OH 2.98Å; Q101-Y150 WeakPolarHBondContact O-CD1 3.34Å; Q101-Y150 WeakPolarHBondContact O-CE1 3.07Å
102	L	88.2	Confident	86.1	Confident	14 Å²	14	33.6 Å²	33.6	7%	0.073	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-40.4	177.9	-61.4	-179.4	0	0	0	111.4	I100 L106 E108 I121 L173 W216	I100-L102 HydrophobicContact CG2-CD2 4.12Å; I100-L102 PolarHBondContact O-N 3.39Å; L102-L106 HydrophobicContact CB-CD2 4.15Å; L102-L106 HydrophobicContact CB-CG 4.46Å; L102-L106 HydrophobicContact CD1-CD2 4.44Å; L102-L106 PolarHBondContact N-O 2.9Å; L102-E108 HydrophobicContact CD1-CB 4.04Å; L102-E108 HydrophobicContact CD2-CB 4.39Å; L102-E108 HydrophobicContact CG-CB 4.17Å; L102-I121 HydrophobicContact CD1-CD1 4.37Å; L102-L173 HydrophobicContact CD2-CD1 3.95Å; L102-L173 HydrophobicContact CD2-CD2 4.28Å; L102-W216 HydrophobicContact CD2-CH2 4.14Å; L102-W216 HydrophobicContact CD2-CZ2 3.77Å
103	K	85.9	Confident	86.5	Confident	106 Å²	106	33 Å²	33	46%	0.461	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	168.1	178.1	-71	-172.8	178.9	-179.9	0	108.6	Q101 D105 L106	Q101-K103 WeakPolarHBondContact CG-O 3.41Å; K103-D105 PolarHBondContact O-N 3.12Å; K103-L106 HydrophobicContact CB-CB 3.95Å; K103-L106 HydrophobicContact CB-CD2 4.26Å; K103-L106 HydrophobicContact CD-CD2 4.48Å; K103-L106 HydrophobicContact CG-CD2 4.45Å; K103-L106 PolarHBondContact N-O 3.42Å; K103-L106 PolarHBondContact O-N 2.74Å; K103-L106 VanDerWaalsContact O-O 3.13Å
104	P	87.1	Confident	86.7	Confident	109 Å²	109	32.7 Å²	32.7	71%	0.708	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	130.4	169.2	-26.3	35.2	0	0	0	110.2	L106	P104-L106 PolarHBondContact O-N 3.12Å
105	D	88.2	Confident	86.2	Confident	79 Å²	79	36.9 Å²	36.9	42%	0.422	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	8.5	-178.9	-60.3	-45.2	0	0	0	116.6	K103 Y107 M123 K124	K103-D105 PolarHBondContact O-N 3.12Å; D105-Y107 VanDerWaalsContact C-CE2 3.49Å; D105-M123 CarbonylContact O-C 3.53Å; D105-M123 VanDerWaalsContact O-CA 3.29Å; D105-M123 WeakPolarHBondContact O-CA 3.18Å; D105-K124 HydrophobicContact CB-CB 4.06Å; D105-K124 PolarHBondContact O-N 3.11Å
106	L	91.1	Very high	85.7	Confident	14 Å²	14	38.3 Å²	38.3	7%	0.073	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119	179.7	-168.6	75.1	0	0	0	111.2	L102 K103 P104 I121 M123 L132	L102-L106 HydrophobicContact CB-CD2 4.15Å; L102-L106 HydrophobicContact CB-CG 4.46Å; L102-L106 HydrophobicContact CD1-CD2 4.44Å; L102-L106 PolarHBondContact N-O 2.9Å; K103-L106 HydrophobicContact CB-CB 3.95Å; K103-L106 HydrophobicContact CB-CD2 4.26Å; K103-L106 HydrophobicContact CD-CD2 4.48Å; K103-L106 HydrophobicContact CG-CD2 4.45Å; K103-L106 PolarHBondContact N-O 3.42Å; K103-L106 PolarHBondContact O-N 2.74Å; K103-L106 VanDerWaalsContact O-O 3.13Å; P104-L106 PolarHBondContact O-N 3.12Å; L106-I121 HydrophobicContact CD1-CG2 3.47Å; L106-I121 VanDerWaalsContact CD1-CG2 3.47Å; L106-I121 HydrophobicContact CG-CG2 3.97Å; L106-M123 HydrophobicContact CD1-CB 4.01Å; L106-M123 HydrophobicContact CD1-CG 4.12Å; L106-L132 HydrophobicContact CD1-CD1 3.92Å
107	Y	91.6	Very high	85.4	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.1	-171.4	-59.2	-89	0	0	0	111.3	E47 L50 F52 V99 I100 Q101 D105 I121 L122 W129	E47-Y107 WeakPolarHBondContact OE1-CE1 3.27Å; E47-Y107 PolarHBondContact OE2-OH 3.45Å; L50-Y107 HydrophobicContact CD1-CE1 4.45Å; L50-Y107 HydrophobicContact CD1-CE2 4.29Å; L50-Y107 WeakPolarHBondContact CD1-OH 3.48Å; F52-Y107 HydrophobicContact CE1-CD1 4.35Å; F52-Y107 HydrophobicContact CE2-CD1 4.14Å; F52-Y107 AromaticContact CE2-CE1 3.9Å; F52-Y107 HydrophobicContact CE2-CE1 3.9Å; F52-Y107 AromaticContact CZ-CD1 3.58Å; F52-Y107 HydrophobicContact CZ-CD1 3.58Å; F52-Y107 AromaticContact CZ-CE1 3.5Å; F52-Y107 HydrophobicContact CZ-CE1 3.5Å; F52-Y107 VanDerWaalsContact CZ-CE1 3.5Å; F52-Y107 HydrophobicContact CZ-CE2 4.48Å; F52-Y107 HydrophobicContact CZ-CG 4.13Å; V99-Y107 HydrophobicContact CG1-CD1 4.18Å; I100-Y107 CarbonylContact O-C 3.56Å; I100-Y107 WeakPolarHBondContact O-CA 3.41Å; Q101-Y107 HydrophobicContact CB-CD1 4.27Å; Q101-Y107 HydrophobicContact CB-CE1 4.06Å; Q101-Y107 HydrophobicContact CG-CD1 4.44Å; Q101-Y107 HydrophobicContact CG-CE1 3.95Å; Q101-Y107 PolarHBondContact NE2-OH 2.98Å; D105-Y107 VanDerWaalsContact C-CE2 3.49Å; Y107-I121 CarbonylContact O-C 3.59Å; Y107-I121 VanDerWaalsContact O-CA 3.3Å; Y107-I121 WeakPolarHBondContact O-CA 3.38Å; Y107-L122 PolarHBondContact N-O 3.2Å; Y107-L122 PolarHBondContact O-N 3.12Å; Y107-W129 HydrophobicContact CD2-CH2 4.14Å; Y107-W129 AromaticContact CD2-CZ3 3.68Å; Y107-W129 HydrophobicContact CD2-CZ3 3.68Å; Y107-W129 AromaticContact CE2-CH2 3.99Å; Y107-W129 HydrophobicContact CE2-CH2 3.99Å; Y107-W129 AromaticContact CE2-CZ3 3.95Å; Y107-W129 HydrophobicContact CE2-CZ3 3.95Å
108	E	90.5	Very high	85.3	Confident	5 Å²	5	38.4 Å²	38.4	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.6	162.6	177.2	176.9	-122.3	0	0	109.2	V99 I100 L102 R215 W216	V99-E108 CarbonylContact C-O 3.51Å; V99-E108 WeakPolarHBondContact CA-O 3.02Å; I100-E108 PolarHBondContact N-O 3.41Å; I100-E108 PolarHBondContact O-N 3.3Å; L102-E108 HydrophobicContact CD1-CB 4.04Å; L102-E108 HydrophobicContact CD2-CB 4.39Å; L102-E108 HydrophobicContact CG-CB 4.17Å; E108-R215 IonicContact OE1-CZ 2.64Å; E108-R215 IonicContact OE1-NE 3.44Å; E108-R215 IonicContact OE1-NH1 2.76Å; E108-R215 PolarHBondContact OE1-NH1 3.04Å; E108-W216 PolarHBondContact OE1-NE1 2.97Å; E108-W216 VanDerWaalsContact OE1-NE1 3.14Å; E108-W216 WeakPolarHBondContact OE2-CZ2 3.46Å; E108-W216 PolarHBondContact OE2-NE1 2.96Å
109	I	90.9	Very high	85.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122	178.2	-56.8	-179.2	0	0	0	107.9	I59 W76 I96 S98 V99 C119 S120 L122	I59-I109 HydrophobicContact CD1-CD1 3.71Å; I59-I109 HydrophobicContact CD1-CG2 4.17Å; W76-I109 HydrophobicContact CH2-CG2 4.31Å; W76-I109 HydrophobicContact CZ3-CG2 4.07Å; I96-I109 HydrophobicContact CD1-CG2 4.08Å; I96-I109 HydrophobicContact CG2-CG2 3.88Å; S98-I109 WeakPolarHBondContact O-CA 3.38Å; V99-I109 HydrophobicContact CG1-CG1 4.24Å; V99-I109 HydrophobicContact CG2-CG1 4.16Å; V99-I109 HydrophobicContact CG2-CG2 4.31Å; I109-C119 CarbonylContact O-C 3.59Å; I109-C119 VanDerWaalsContact O-CA 3.26Å; I109-C119 WeakPolarHBondContact O-CA 3.32Å; I109-S120 PolarHBondContact N-O 3.44Å; I109-S120 PolarHBondContact O-N 3.17Å; I109-L122 HydrophobicContact CD1-CB 4.45Å; I109-L122 HydrophobicContact CD1-CD1 3.29Å; I109-L122 HydrophobicContact CD1-CG 3.76Å; I109-L122 HydrophobicContact CG1-CD1 4.43Å; I109-L122 HydrophobicContact CG1-CG 4.45Å
110	C	87.6	Confident	85	Confident	13 Å²	13	38.2 Å²	38.2	9%	0.088	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.5	174.6	-64.2	0	0	0	0	110.3	Y97 S98 V117 R118 C119	Y97-C110 PolarHBondContact N-O 3.35Å; S98-C110 PolarHBondContact N-O 3.05Å; S98-C110 VanDerWaalsContact N-O 3.16Å; S98-C110 PolarHBondContact O-N 3.38Å; S98-C110 WeakPolarHBondContact OG-CB 3.42Å; C110-V117 HydrophobicContact CB-CG1 3.9Å; C110-R118 CarbonylContact C-O 3.51Å; C110-R118 VanDerWaalsContact CA-O 3.28Å; C110-R118 WeakPolarHBondContact CA-O 3.34Å; C110-C119 HydrophobicContact CB-CB 4.17Å; C110-C119 WeakPolarHBondContact CB-SG 3.35Å; C110-C119 WeakPolarHBondContact SG-CB 3.34Å; C110-C119 CovalentContact SG-SG 2.04Å; C110-C119 PolarHBondContact SG-SG 2.92Å
111	G	86.5	Confident	84.8	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	166.8	179.6	0	0	0	0	0	112.8	V95 F113 V117 R118	V95-G111 CarbonylContact O-C 3.58Å; V95-G111 VanDerWaalsContact O-C 3.29Å; V95-G111 WeakPolarHBondContact O-CA 3.25Å; G111-F113 PolarHBondContact O-N 3.27Å; G111-V117 CarbonylContact O-C 3.54Å; G111-V117 VanDerWaalsContact O-CA 3.29Å; G111-V117 WeakPolarHBondContact O-CA 3.34Å; G111-R118 PolarHBondContact N-O 2.9Å; G111-R118 PolarHBondContact O-N 2.82Å
112	K	81.8	Confident	84.7	Confident	61 Å²	61	34.7 Å²	34.7	27%	0.265	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	132.7	175.7	-165.1	175.4	177.5	176	0	111	W76 V95 Y97	W76-K112 PolarHBondContact NE1-O 3.43Å; V95-K112 HydrophobicContact CB-CB 4.37Å; V95-K112 PolarHBondContact O-N 3.1Å; Y97-K112 HydrophobicContact CE2-CB 3.95Å; Y97-K112 WeakPolarHBondContact OH-CB 3.35Å
113	F	79.7	Confident	84.8	Confident	48 Å²	48	36.1 Å²	36.1	21%	0.211	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	86.9	172.5	-169.8	-103.2	0	0	0	108.4	V79 G111 I115 N116 R118 H136	V79-F113 HydrophobicContact CG2-CD2 4.38Å; V79-F113 HydrophobicContact CG2-CE1 4.2Å; V79-F113 HydrophobicContact CG2-CE2 3.76Å; V79-F113 HydrophobicContact CG2-CZ 3.66Å; G111-F113 PolarHBondContact O-N 3.27Å; F113-I115 PolarHBondContact O-N 2.87Å; F113-N116 CarbonylContact C-O 3.59Å; F113-N116 PolarHBondContact N-O 3.42Å; F113-N116 CarbonylContact O-C 3.58Å; F113-N116 WeakPolarHBondContact O-CA 3.31Å; F113-N116 WeakPolarHBondContact O-CB 3.39Å; F113-N116 PolarHBondContact O-N 3.03Å; F113-N116 VanDerWaalsContact O-O 3.04Å; F113-R118 HydrophobicContact CB-CB 3.59Å; F113-R118 HydrophobicContact CD2-CB 4.39Å; F113-R118 HydrophobicContact CG-CB 3.98Å; F113-H136 AromaticContact CD1-CD2 3.76Å; F113-H136 AromaticContact CD1-NE2 3.9Å; F113-H136 AromaticContact CE1-NE2 3.76Å
114	D	74.8	Confident	84.8	Confident	60 Å²	60	32.8 Å²	32.8	32%	0.321	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	-118.8	-173.2	-167.5	21.5	0	0	0	113.5	V79 N116	V79-D114 HydrophobicContact CB-CB 4.24Å; D114-N116 VanDerWaalsContact C-N 3.32Å
115	I	68.9	Low	84.6	Confident	102 Å²	102	32.5 Å²	32.5	52%	0.523	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-11.6	172.1	57.3	170.8	0	0	0	112.7	F113 F138	F113-I115 PolarHBondContact O-N 2.87Å; I115-F138 HydrophobicContact CD1-CE2 4.27Å
116	N	71.1	Confident	84.2	Confident	43 Å²	43	31.6 Å²	31.6	23%	0.23	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	173.2	-176.5	-65.5	-25.3	0	0	0	111.6	F113 D114 V137 F138	F113-N116 CarbonylContact C-O 3.59Å; F113-N116 PolarHBondContact N-O 3.42Å; F113-N116 CarbonylContact O-C 3.58Å; F113-N116 WeakPolarHBondContact O-CA 3.31Å; F113-N116 WeakPolarHBondContact O-CB 3.39Å; F113-N116 PolarHBondContact O-N 3.03Å; F113-N116 VanDerWaalsContact O-O 3.04Å; D114-N116 VanDerWaalsContact C-N 3.32Å; N116-V137 CarbonylContact C-O 3.59Å; N116-F138 WeakPolarHBondContact OD1-CD2 3.33Å
117	V	80.3	Confident	83.5	Confident	8 Å²	8	36.5 Å²	36.5	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.5	167.8	176.7	0	0	0	0	107.5	Y97 C110 G111 V137 L139	Y97-V117 HydrophobicContact CD2-CG1 4.27Å; Y97-V117 HydrophobicContact CD2-CG2 4.12Å; Y97-V117 HydrophobicContact CE2-CG2 3.91Å; C110-V117 HydrophobicContact CB-CG1 3.9Å; G111-V117 CarbonylContact O-C 3.54Å; G111-V117 VanDerWaalsContact O-CA 3.29Å; G111-V117 WeakPolarHBondContact O-CA 3.34Å; V117-V137 PolarHBondContact N-O 3.35Å; V117-V137 PolarHBondContact O-N 2.82Å; V117-L139 HydrophobicContact CB-CD1 4.04Å; V117-L139 HydrophobicContact CG2-CB 3.91Å; V117-L139 HydrophobicContact CG2-CD1 3.44Å; V117-L139 VanDerWaalsContact CG2-CD1 3.44Å; V117-L139 HydrophobicContact CG2-CD2 3.78Å; V117-L139 HydrophobicContact CG2-CG 3.89Å
118	R	83.4	Confident	83.1	Confident	38 Å²	38	40.1 Å²	40.1	14%	0.143	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.8	169.6	176.4	180	178.5	-171.7	2.4	108.4	W76 C110 G111 F113 E134 E135	W76-R118 HydrophobicContact CH2-CB 4.3Å; W76-R118 HydrophobicContact CH2-CG 4.02Å; W76-R118 WeakPolarHBondContact CH2-O 3.27Å; W76-R118 HydrophobicContact CZ2-CB 3.75Å; W76-R118 HydrophobicContact CZ2-CG 3.92Å; W76-R118 VanDerWaalsContact CZ2-O 3.31Å; W76-R118 WeakPolarHBondContact CZ2-O 3.39Å; C110-R118 CarbonylContact C-O 3.51Å; C110-R118 VanDerWaalsContact CA-O 3.28Å; C110-R118 WeakPolarHBondContact CA-O 3.34Å; G111-R118 PolarHBondContact N-O 2.9Å; G111-R118 PolarHBondContact O-N 2.82Å; F113-R118 HydrophobicContact CB-CB 3.59Å; F113-R118 HydrophobicContact CD2-CB 4.39Å; F113-R118 HydrophobicContact CG-CB 3.98Å; R118-E134 IonicContact CZ-OE1 3.24Å; R118-E134 IonicContact CZ-OE2 2.66Å; R118-E134 VanDerWaalsContact CZ-OE2 3.24Å; R118-E134 IonicContact NE-OE1 3.21Å; R118-E134 IonicContact NE-OE2 3.25Å; R118-E134 PolarHBondContact NE-OE2 2.64Å; R118-E134 IonicContact NH2-OE1 3.54Å; R118-E134 PolarHBondContact NH2-OE1 3.12Å; R118-E134 IonicContact NH2-OE2 2.92Å; R118-E134 PolarHBondContact NH2-OE2 2.98Å; R118-E135 WeakPolarHBondContact CA-O 3.46Å
119	C	87.1	Confident	82.9	Confident	9 Å²	9	40.8 Å²	40.8	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.4	175.6	-71.6	0	0	0	0	109.6	I109 C110 E135 R215	I109-C119 CarbonylContact O-C 3.59Å; I109-C119 VanDerWaalsContact O-CA 3.26Å; I109-C119 WeakPolarHBondContact O-CA 3.32Å; C110-C119 HydrophobicContact CB-CB 4.17Å; C110-C119 WeakPolarHBondContact CB-SG 3.35Å; C110-C119 WeakPolarHBondContact SG-CB 3.34Å; C110-C119 CovalentContact SG-SG 2.04Å; C110-C119 PolarHBondContact SG-SG 2.92Å; C119-E135 PolarHBondContact N-O 2.95Å; C119-E135 PolarHBondContact O-N 3.44Å; C119-R215 PolarHBondContact O-NH2 3.12Å
120	S	87.2	Confident	82.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.8	-179.3	-61	0	0	0	0	111.7	I109 L133 E134	I109-S120 PolarHBondContact N-O 3.44Å; I109-S120 PolarHBondContact O-N 3.17Å; S120-L133 CarbonylContact C-O 3.6Å; S120-L133 VanDerWaalsContact CA-O 3.3Å; S120-L133 WeakPolarHBondContact CA-O 3.27Å; S120-E134 WeakPolarHBondContact OG-CG 3.04Å; S120-E134 PolarHBondContact OG-OE1 2.85Å; S120-E134 VanDerWaalsContact OG-OE1 3.09Å
121	I	87.6	Confident	82.5	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.5	170.5	-63	179	0	0	0	108.9	L102 L106 Y107 S131 L132 L133	L102-I121 HydrophobicContact CD1-CD1 4.37Å; L106-I121 HydrophobicContact CD1-CG2 3.47Å; L106-I121 VanDerWaalsContact CD1-CG2 3.47Å; L106-I121 HydrophobicContact CG-CG2 3.97Å; Y107-I121 CarbonylContact O-C 3.59Å; Y107-I121 VanDerWaalsContact O-CA 3.3Å; Y107-I121 WeakPolarHBondContact O-CA 3.38Å; I121-S131 WeakPolarHBondContact O-CA 3.38Å; I121-L132 HydrophobicContact CG2-CB 4.47Å; I121-L132 HydrophobicContact CG2-CD1 4.16Å; I121-L132 PolarHBondContact O-N 3.44Å; I121-L133 PolarHBondContact N-O 2.94Å
122	L	90	Very high	82.1	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.5	171.9	-60.5	-164.7	0	0	0	110.7	I74 Y107 I109 W129 S130	I74-L122 HydrophobicContact CD1-CD1 3.38Å; Y107-L122 PolarHBondContact N-O 3.2Å; Y107-L122 PolarHBondContact O-N 3.12Å; I109-L122 HydrophobicContact CD1-CB 4.45Å; I109-L122 HydrophobicContact CD1-CD1 3.29Å; I109-L122 HydrophobicContact CD1-CG 3.76Å; I109-L122 HydrophobicContact CG1-CD1 4.43Å; I109-L122 HydrophobicContact CG1-CG 4.45Å; L122-W129 HydrophobicContact CB-CE3 4.12Å; L122-W129 HydrophobicContact CB-CZ3 4.49Å; L122-W129 HydrophobicContact CD1-CE3 4.32Å; L122-S130 WeakPolarHBondContact CA-O 3.27Å
123	M	89.1	Confident	81.9	Confident	43 Å²	43	46.9 Å²	46.9	21%	0.212	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.3	168.5	-163.3	-164.3	-38.6	0	0	109.7	D105 L106 K125 W129 S130 L132	D105-M123 CarbonylContact O-C 3.53Å; D105-M123 VanDerWaalsContact O-CA 3.29Å; D105-M123 WeakPolarHBondContact O-CA 3.18Å; L106-M123 HydrophobicContact CD1-CB 4.01Å; L106-M123 HydrophobicContact CD1-CG 4.12Å; M123-K125 HydrophobicContact CG-CG 4.31Å; M123-K125 HydrophobicContact SD-CD 4.07Å; M123-K125 WeakPolarHBondContact SD-CE 3.33Å; M123-K125 HydrophobicContact SD-CG 3.61Å; M123-W129 WeakPolarHBondContact O-CA 3.5Å; M123-S130 PolarHBondContact N-O 3.05Å; M123-S130 PolarHBondContact O-N 3.37Å; M123-S130 PolarHBondContact O-OG 3Å; M123-L132 HydrophobicContact CB-CD1 4.1Å; M123-L132 HydrophobicContact CB-CG 4.33Å; M123-L132 HydrophobicContact CE-CD1 3.26Å; M123-L132 HydrophobicContact CE-CD2 3.72Å; M123-L132 HydrophobicContact CE-CG 3.91Å
124	K	87.2	Confident	81.8	Confident	36 Å²	36	48.6 Å²	48.6	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	102.8	169.7	-168.5	-179.8	-175.5	178.6	0	109	D105 W129	D105-K124 HydrophobicContact CB-CB 4.06Å; D105-K124 PolarHBondContact O-N 3.11Å; K124-W129 HydrophobicContact CB-CD2 4.36Å; K124-W129 HydrophobicContact CB-CE3 4.03Å; K124-W129 HydrophobicContact CB-CH2 3.97Å; K124-W129 HydrophobicContact CB-CZ2 4.27Å; K124-W129 HydrophobicContact CB-CZ3 3.84Å; K124-W129 HydrophobicContact CD-CH2 3.97Å; K124-W129 HydrophobicContact CD-CZ2 3.72Å; K124-W129 HydrophobicContact CG-CD2 4.4Å; K124-W129 HydrophobicContact CG-CH2 4.24Å; K124-W129 HydrophobicContact CG-CZ2 4.04Å; K124-W129 HydrophobicContact CG-CZ3 4.48Å
125	K	82.3	Confident	81.8	Confident	103 Å²	103	46.7 Å²	46.7	45%	0.448	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	95	172.1	-72.1	-174.6	-179.3	177.3	0	108.7	M123 L127 V128	M123-K125 HydrophobicContact CG-CG 4.31Å; M123-K125 HydrophobicContact SD-CD 4.07Å; M123-K125 WeakPolarHBondContact SD-CE 3.33Å; M123-K125 HydrophobicContact SD-CG 3.61Å; K125-L127 PolarHBondContact O-N 3.12Å; K125-V128 PolarHBondContact N-O 2.04Å; K125-V128 PolarHBondContact O-N 3.21Å; K125-V128 VanDerWaalsContact O-N 3.15Å
126	G	80.4	Confident	81.9	Confident	61 Å²	61	46 Å²	46	63%	0.629	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-107.9	-176.3	0	0	0	0	0	111.8
127	L	75.5	Confident	81.8	Confident	117 Å²	117	44.8 Å²	44.8	61%	0.613	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.9	-177.4	-57.3	-179.9	0	0	0	113.7	R27 K125	R27-L127 PolarHBondContact NH2-O 3.07Å; K125-L127 PolarHBondContact O-N 3.12Å
128	V	83.1	Confident	80.8	Confident	79 Å²	79	47.2 Å²	47.2	48%	0.479	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.6	-174.6	-177	0	0	0	0	110.3	K125	K125-V128 PolarHBondContact N-O 2.04Å; K125-V128 PolarHBondContact O-N 3.21Å; K125-V128 VanDerWaalsContact O-N 3.15Å
129	W	86.9	Confident	79.6	Confident	19 Å²	19	46.2 Å²	46.2	7%	0.072	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124	171.2	-66.4	92.4	0	0	0	109.2	L50 F52 I61 D72 I74 Y107 L122 M123 K124	L50-W129 HydrophobicContact CD1-CH2 4.42Å; F52-W129 HydrophobicContact CE1-CH2 4.4Å; I61-W129 HydrophobicContact CB-CZ2 4.27Å; I61-W129 HydrophobicContact CD1-CD2 3.83Å; I61-W129 HydrophobicContact CD1-CE3 4.03Å; I61-W129 HydrophobicContact CD1-CH2 3.76Å; I61-W129 HydrophobicContact CD1-CZ2 3.56Å; I61-W129 HydrophobicContact CD1-CZ3 3.98Å; I61-W129 HydrophobicContact CG1-CZ2 4.49Å; I61-W129 HydrophobicContact CG2-CH2 4.17Å; I61-W129 HydrophobicContact CG2-CZ2 3.68Å; D72-W129 PolarHBondContact OD2-NE1 3.21Å; I74-W129 HydrophobicContact CD1-CB 3.7Å; I74-W129 HydrophobicContact CD1-CD2 4.17Å; I74-W129 HydrophobicContact CD1-CG 3.78Å; Y107-W129 HydrophobicContact CD2-CH2 4.14Å; Y107-W129 AromaticContact CD2-CZ3 3.68Å; Y107-W129 HydrophobicContact CD2-CZ3 3.68Å; Y107-W129 AromaticContact CE2-CH2 3.99Å; Y107-W129 HydrophobicContact CE2-CH2 3.99Å; Y107-W129 AromaticContact CE2-CZ3 3.95Å; Y107-W129 HydrophobicContact CE2-CZ3 3.95Å; L122-W129 HydrophobicContact CB-CE3 4.12Å; L122-W129 HydrophobicContact CB-CZ3 4.49Å; L122-W129 HydrophobicContact CD1-CE3 4.32Å; M123-W129 WeakPolarHBondContact O-CA 3.5Å; K124-W129 HydrophobicContact CB-CD2 4.36Å; K124-W129 HydrophobicContact CB-CE3 4.03Å; K124-W129 HydrophobicContact CB-CH2 3.97Å; K124-W129 HydrophobicContact CB-CZ2 4.27Å; K124-W129 HydrophobicContact CB-CZ3 3.84Å; K124-W129 HydrophobicContact CD-CH2 3.97Å; K124-W129 HydrophobicContact CD-CZ2 3.72Å; K124-W129 HydrophobicContact CG-CD2 4.4Å; K124-W129 HydrophobicContact CG-CH2 4.24Å; K124-W129 HydrophobicContact CG-CZ2 4.04Å; K124-W129 HydrophobicContact CG-CZ3 4.48Å
130	S	85.9	Confident	77.8	Confident	33 Å²	33	47.6 Å²	47.6	23%	0.231	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.6	175.3	57.4	0	0	0	0	110	L122 M123	L122-S130 WeakPolarHBondContact CA-O 3.27Å; M123-S130 PolarHBondContact N-O 3.05Å; M123-S130 PolarHBondContact O-N 3.37Å; M123-S130 PolarHBondContact O-OG 3Å
131	S	84.2	Confident	76.2	Confident	60 Å²	60	52.7 Å²	52.7	42%	0.42	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.5	166.1	-168.2	0	0	0	0	108.6	I121 E134	I121-S131 WeakPolarHBondContact O-CA 3.38Å; S131-E134 PolarHBondContact OG-OE1 3.22Å
132	L	78.7	Confident	74.5	Confident	35 Å²	35	53.4 Å²	53.4	18%	0.183	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-37.1	-177.9	-66.1	179.7	0	0	0	113.2	L106 I121 M123 I180	L106-L132 HydrophobicContact CD1-CD1 3.92Å; I121-L132 HydrophobicContact CG2-CB 4.47Å; I121-L132 HydrophobicContact CG2-CD1 4.16Å; I121-L132 PolarHBondContact O-N 3.44Å; M123-L132 HydrophobicContact CB-CD1 4.1Å; M123-L132 HydrophobicContact CB-CG 4.33Å; M123-L132 HydrophobicContact CE-CD1 3.26Å; M123-L132 HydrophobicContact CE-CD2 3.72Å; M123-L132 HydrophobicContact CE-CG 3.91Å; L132-I180 HydrophobicContact CD1-CG2 4.2Å
133	L	75.7	Confident	72.8	Confident	74 Å²	74	56.7 Å²	56.7	39%	0.387	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	143.7	-171.8	-176.3	66.2	0	0	0	109.2	S120 I121	S120-L133 CarbonylContact C-O 3.6Å; S120-L133 VanDerWaalsContact CA-O 3.3Å; S120-L133 WeakPolarHBondContact CA-O 3.27Å; I121-L133 PolarHBondContact N-O 2.94Å
134	E	77.5	Confident	71.4	Confident	84 Å²	84	55.7 Å²	55.7	39%	0.393	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.9	178.6	-47.8	-156.4	138.1	0	0	110.5	R118 S120 S131	R118-E134 IonicContact CZ-OE1 3.24Å; R118-E134 IonicContact CZ-OE2 2.66Å; R118-E134 VanDerWaalsContact CZ-OE2 3.24Å; R118-E134 IonicContact NE-OE1 3.21Å; R118-E134 IonicContact NE-OE2 3.25Å; R118-E134 PolarHBondContact NE-OE2 2.64Å; R118-E134 IonicContact NH2-OE1 3.54Å; R118-E134 PolarHBondContact NH2-OE1 3.12Å; R118-E134 IonicContact NH2-OE2 2.92Å; R118-E134 PolarHBondContact NH2-OE2 2.98Å; S120-E134 WeakPolarHBondContact OG-CG 3.04Å; S120-E134 PolarHBondContact OG-OE1 2.85Å; S120-E134 VanDerWaalsContact OG-OE1 3.09Å; S131-E134 PolarHBondContact OG-OE1 3.22Å
135	E	74.8	Confident	70.7	Confident	20 Å²	20	61.3 Å²	61.3	9%	0.093	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.9	177.5	-163.7	177.4	178.4	0	0	108.8	R118 C119 V137 S213 R215	R118-E135 WeakPolarHBondContact CA-O 3.46Å; C119-E135 PolarHBondContact N-O 2.95Å; C119-E135 PolarHBondContact O-N 3.44Å; E135-V137 HydrophobicContact CG-CG2 4.43Å; E135-S213 WeakPolarHBondContact OE1-CB 3.29Å; E135-R215 IonicContact OE2-CZ 3.94Å; E135-R215 VanDerWaalsContact OE2-CZ 3.25Å; E135-R215 IonicContact OE2-NE 3.85Å; E135-R215 PolarHBondContact OE2-NE 2.98Å; E135-R215 IonicContact OE2-NH2 3.44Å; E135-R215 PolarHBondContact OE2-NH2 2.86Å
136	H	73	Confident	70.7	Confident	89 Å²	89	58.2 Å²	58.2	41%	0.412	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122	174.5	-58.9	118.6	0	0	0	109.1	F113	F113-H136 AromaticContact CD1-CD2 3.76Å; F113-H136 AromaticContact CD1-NE2 3.9Å; F113-H136 AromaticContact CE1-NE2 3.76Å
137	V	68.7	Low	71.1	Confident	17 Å²	17	56.4 Å²	56.4	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.5	-179.2	-176.7	0	0	0	0	108.4	N116 V117 E135 L139 W207 L209	N116-V137 CarbonylContact C-O 3.59Å; V117-V137 PolarHBondContact N-O 3.35Å; V117-V137 PolarHBondContact O-N 2.82Å; E135-V137 HydrophobicContact CG-CG2 4.43Å; V137-L139 HydrophobicContact CG1-CD1 4.48Å; V137-L139 PolarHBondContact O-N 2.79Å; V137-W207 CarbonylContact C-O 3.58Å; V137-W207 WeakPolarHBondContact CG1-O 2.94Å; V137-L209 HydrophobicContact CG1-CD2 4.41Å; V137-L209 HydrophobicContact CG1-CG 4.08Å
138	F	58.9	Low	72	Confident	59 Å²	59	52.7 Å²	52.7	26%	0.259	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129	173.8	-170.4	-92.1	0	0	0	110.4	I115 N116 Y206 W207 S208 L209	I115-F138 HydrophobicContact CD1-CE2 4.27Å; N116-F138 WeakPolarHBondContact OD1-CD2 3.33Å; F138-Y206 HydrophobicContact CD1-CE1 4.2Å; F138-Y206 AromaticContact CD1-CE2 3.96Å; F138-Y206 HydrophobicContact CD1-CE2 3.96Å; F138-Y206 AromaticContact CD1-CZ 3.75Å; F138-Y206 HydrophobicContact CE1-CE1 4.4Å; F138-Y206 AromaticContact CE1-CE2 3.72Å; F138-Y206 HydrophobicContact CE1-CE2 3.72Å; F138-Y206 AromaticContact CE1-CZ 3.54Å; F138-Y206 VanDerWaalsContact CE1-OH 3.28Å; F138-Y206 WeakPolarHBondContact CE1-OH 3.27Å; F138-Y206 HydrophobicContact CZ-CE2 4.42Å; F138-W207 WeakPolarHBondContact CA-O 3.44Å; F138-W207 WeakPolarHBondContact CB-O 3.35Å; F138-W207 PolarHBondContact N-O 2.89Å; F138-S208 VanDerWaalsContact O-CA 3.22Å; F138-S208 WeakPolarHBondContact O-CA 3.16Å; F138-L209 PolarHBondContact O-N 2.81Å
139	L	57	Low	72.4	Confident	16 Å²	16	52 Å²	52	8%	0.084	26%	0.262	C	S	.	.			trans	-110.9	122.4	164.9	-107.2	66.7	0	0	0	109.3	V117 V137 Y141 I146 L209	V117-L139 HydrophobicContact CB-CD1 4.04Å; V117-L139 HydrophobicContact CG2-CB 3.91Å; V117-L139 HydrophobicContact CG2-CD1 3.44Å; V117-L139 VanDerWaalsContact CG2-CD1 3.44Å; V117-L139 HydrophobicContact CG2-CD2 3.78Å; V117-L139 HydrophobicContact CG2-CG 3.89Å; V137-L139 HydrophobicContact CG1-CD1 4.48Å; V137-L139 PolarHBondContact O-N 2.79Å; L139-Y141 PolarHBondContact O-N 2.9Å; L139-I146 HydrophobicContact CD2-CD1 4.22Å; L139-L209 HydrophobicContact CD1-CB 4.36Å; L139-L209 HydrophobicContact CD1-CD1 3.13Å; L139-L209 HydrophobicContact CD1-CD2 4.48Å; L139-L209 HydrophobicContact CD1-CG 3.39Å; L139-L209 HydrophobicContact CD2-CD1 3.95Å; L139-L209 HydrophobicContact CG-CD1 3.64Å; L139-L209 HydrophobicContact CG-CG 4.36Å
140	G	51.1	Low	72.7	Confident	39 Å²	39	53.9 Å²	53.9	40%	0.402	27%	0.27	S	S	.	.	S	Bend	trans	-58.2	-14.5	175.1	0	0	0	0	0	115
141	Y	53.5	Low	73	Confident	108 Å²	108	53.3 Å²	53.3	42%	0.424	27%	0.266	S	S	.	.			trans	-166	121	157.9	-131.7	-102.4	0	0	0	112.1	L139 N143	L139-Y141 PolarHBondContact O-N 2.9Å; Y141-N143 HydrophobicContact CD1-CB 4.49Å; Y141-N143 PolarHBondContact O-N 3.42Å
142	P	52.1	Low	73.2	Confident	18 Å²	18	55.3 Å²	55.3	12%	0.117	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.7	-173.5	20.6	-27.7	0	0	0	116.8	Y97	Y97-P142 WeakPolarHBondContact CE1-O 3.48Å; Y97-P142 HydrophobicContact CE2-CB 4.41Å; Y97-P142 WeakPolarHBondContact OH-CB 3.5Å; Y97-P142 PolarHBondContact OH-O 3.03Å
143	N	53.5	Low	73.7	Confident	80 Å²	80	54.8 Å²	54.8	43%	0.428	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4.8	-166.7	-76.8	7.2	0	0	0	115.6	F87 Y141	F87-N143 WeakPolarHBondContact CD1-ND2 3.48Å; Y141-N143 HydrophobicContact CD1-CB 4.49Å; Y141-N143 PolarHBondContact O-N 3.42Å
144	S	59.6	Low	74.5	Confident	23 Å²	23	52.9 Å²	52.9	16%	0.161	26%	0.263	C	S	.	.	S	Bend	trans	-80.6	142.2	175.1	69.8	0	0	0	0	111.4	I146 L160	S144-I146 PolarHBondContact O-N 3.35Å; S144-L160 WeakPolarHBondContact CB-O 3.49Å; S144-L160 PolarHBondContact OG-O 2.66Å
145	R	71.7	Confident	75.3	Confident	154 Å²	154	49.1 Å²	49.1	58%	0.581	25%	0.246	S	C	*	.			trans	-59.7	114.3	167.4	179.5	-178.8	-76.6	-179.4	-5.3	108.7	I147	R145-I147 HydrophobicContact CG-CG1 4.32Å
146	I	82.5	Confident	76.2	Confident	37 Å²	37	48.2 Å²	48.2	19%	0.19	24%	0.241	C	C	.	.			trans	-89.8	131.1	171.3	-61	165	0	0	0	107.2	Y97 L139 S144	Y97-I146 HydrophobicContact CG-CD1 4.3Å; L139-I146 HydrophobicContact CD2-CD1 4.22Å; S144-I146 PolarHBondContact O-N 3.35Å
147	I	90.1	Very high	77.1	Confident	24 Å²	24	44.6 Å²	44.6	12%	0.123	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.4	168.4	-53.9	-165.8	0	0	0	106.6	R145 A158 F238 Y239 I241	R145-I147 HydrophobicContact CG-CG1 4.32Å; I147-A158 HydrophobicContact CB-CB 4.44Å; I147-A158 PolarHBondContact N-O 3.37Å; I147-A158 PolarHBondContact O-N 2.96Å; I147-F238 HydrophobicContact CD1-CB 3.58Å; I147-F238 WeakPolarHBondContact CD1-O 3.29Å; I147-F238 HydrophobicContact CG1-CB 4.12Å; I147-Y239 VanDerWaalsContact CD1-C 3.43Å; I147-Y239 WeakPolarHBondContact CD1-O 3.39Å; I147-I241 HydrophobicContact CG2-CD1 4.03Å; I147-I241 HydrophobicContact CG2-CG1 3.97Å
148	Y	92.7	Very high	78.2	Confident	39 Å²	39	43.8 Å²	43.8	15%	0.153	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.9	179.8	65.6	-87.9	0	0	0	109.9	V99 I100 T156	V99-Y148 PolarHBondContact N-OH 2.85Å; V99-Y148 WeakPolarHBondContact O-CE2 3.44Å; V99-Y148 PolarHBondContact O-OH 3.33Å; I100-Y148 HydrophobicContact CD1-CD2 4.33Å; I100-Y148 HydrophobicContact CG1-CD2 3.91Å; I100-Y148 HydrophobicContact CG1-CE2 3.77Å; Y148-T156 VanDerWaalsContact CA-O 3.25Å; Y148-T156 WeakPolarHBondContact CA-O 3.39Å
149	E	93.2	Very high	79.6	Confident	63 Å²	63	41.8 Å²	41.8	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	122.8	175.1	176.9	69	-179	0	0	107.6	T156 I241 S243	E149-T156 PolarHBondContact N-O 2.82Å; E149-T156 PolarHBondContact O-N 2.78Å; E149-I241 HydrophobicContact CB-CB 3.76Å; E149-I241 HydrophobicContact CB-CD1 4.32Å; E149-I241 HydrophobicContact CB-CG2 3.67Å; E149-I241 HydrophobicContact CG-CB 4.42Å; E149-I241 HydrophobicContact CG-CG2 4.06Å; E149-S243 VanDerWaalsContact CD-OG 3.27Å; E149-S243 WeakPolarHBondContact CG-OG 3.36Å; E149-S243 WeakPolarHBondContact OE1-CB 3.42Å; E149-S243 PolarHBondContact OE1-OG 3.2Å
150	Y	93.2	Very high	80.8	Confident	60 Å²	60	42.4 Å²	42.4	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.1	177.8	176.1	-111.9	0	0	0	109.6	I100 Q101 Y154 L155 L173 W216	I100-Y150 HydrophobicContact CG2-CD1 3.58Å; I100-Y150 HydrophobicContact CG2-CD2 4.43Å; I100-Y150 HydrophobicContact CG2-CE1 4.33Å; I100-Y150 HydrophobicContact CG2-CG 3.63Å; Q101-Y150 WeakPolarHBondContact O-CD1 3.34Å; Q101-Y150 WeakPolarHBondContact O-CE1 3.07Å; Y150-Y154 WeakPolarHBondContact CA-O 3.37Å; Y150-Y154 WeakPolarHBondContact CD2-O 3.47Å; Y150-L155 HydrophobicContact CD2-CB 4.11Å; Y150-L173 WeakPolarHBondContact OH-CD2 3.25Å; Y150-W216 AromaticContact CD2-CH2 3.63Å; Y150-W216 HydrophobicContact CD2-CH2 3.63Å; Y150-W216 HydrophobicContact CD2-CZ3 4.11Å; Y150-W216 AromaticContact CE2-CH2 3.53Å; Y150-W216 HydrophobicContact CE2-CH2 3.53Å; Y150-W216 AromaticContact CE2-CZ3 3.87Å; Y150-W216 HydrophobicContact CE2-CZ3 3.87Å; Y150-W216 HydrophobicContact CG-CH2 4.49Å
151	S	91.5	Very high	81.8	Confident	21 Å²	21	42.1 Å²	42.1	15%	0.147	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	148.1	-178.6	50.7	0	0	0	0	109.3	G153 Y154 S243 R248	S151-G153 PolarHBondContact O-N 3.46Å; S151-G153 VanDerWaalsContact O-N 3.1Å; S151-Y154 PolarHBondContact N-O 3.09Å; S151-Y154 VanDerWaalsContact N-O 3.08Å; S151-Y154 PolarHBondContact O-N 3.34Å; S151-Y154 VanDerWaalsContact O-O 3.08Å; S151-S243 VanDerWaalsContact OG-CB 3.28Å; S151-S243 WeakPolarHBondContact OG-CB 3.09Å; S151-S243 PolarHBondContact OG-OG 2.85Å; S151-R248 PolarHBondContact O-NH2 2.88Å; S151-R248 PolarHBondContact OG-NE 3.26Å; S151-R248 VanDerWaalsContact OG-NE 3.1Å; S151-R248 PolarHBondContact OG-NH2 3.44Å
152	D	88.4	Confident	82.4	Confident	101 Å²	101	41.3 Å²	41.3	54%	0.54	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	27.7	178.8	-40.3	-46.7	0	0	0	114.8	Y154 R248	D152-Y154 VanDerWaalsContact C-N 3.28Å; D152-Y154 HydrophobicContact CB-CD2 4.39Å; D152-Y154 WeakPolarHBondContact O-CD2 3.46Å; D152-Y154 PolarHBondContact O-N 3.36Å; D152-R248 IonicContact OD2-CZ 2.65Å; D152-R248 IonicContact OD2-NH1 3.14Å; D152-R248 PolarHBondContact OD2-NH1 3.4Å; D152-R248 IonicContact OD2-NH2 2.87Å; D152-R248 PolarHBondContact OD2-NH2 3.33Å
153	G	89.2	Confident	83.1	Confident	24 Å²	24	50.1 Å²	50.1	25%	0.247	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	2.7	-176.9	0	0	0	0	0	115.1	S151 L173	S151-G153 PolarHBondContact O-N 3.46Å; S151-G153 VanDerWaalsContact O-N 3.1Å; G153-L173 PolarHBondContact O-N 2.95Å
154	Y	93	Very high	84	Confident	35 Å²	35	53 Å²	53	14%	0.137	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.4	177.7	-63.2	-86.1	0	0	0	111.3	Y150 S151 D152 L170 K171 Q172 L219 T282	Y150-Y154 WeakPolarHBondContact CA-O 3.37Å; Y150-Y154 WeakPolarHBondContact CD2-O 3.47Å; S151-Y154 PolarHBondContact N-O 3.09Å; S151-Y154 VanDerWaalsContact N-O 3.08Å; S151-Y154 PolarHBondContact O-N 3.34Å; S151-Y154 VanDerWaalsContact O-O 3.08Å; D152-Y154 VanDerWaalsContact C-N 3.28Å; D152-Y154 HydrophobicContact CB-CD2 4.39Å; D152-Y154 WeakPolarHBondContact O-CD2 3.46Å; D152-Y154 PolarHBondContact O-N 3.36Å; Y154-L170 HydrophobicContact CD1-CD1 4.3Å; Y154-L170 HydrophobicContact CD1-CD2 4.26Å; Y154-L170 HydrophobicContact CD1-CG 4.26Å; Y154-L170 HydrophobicContact CG-CD1 4.48Å; Y154-K171 CarbonylContact C-O 3.53Å; Y154-K171 WeakPolarHBondContact CA-O 3.41Å; Y154-Q172 HydrophobicContact CD1-CB 4.19Å; Y154-Q172 HydrophobicContact CD1-CG 4.44Å; Y154-Q172 HydrophobicContact CE1-CB 4.23Å; Y154-Q172 HydrophobicContact CE1-CG 4.23Å; Y154-L219 HydrophobicContact CD1-CD1 3.99Å; Y154-L219 HydrophobicContact CE1-CD1 3.62Å; Y154-T282 HydrophobicContact CD2-CG2 4.24Å; Y154-T282 HydrophobicContact CG-CG2 4.34Å
155	L	93.1	Very high	84.9	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.6	171.5	173.9	62.2	0	0	0	109	I100 Y150 L157 K171 W216	I100-L155 HydrophobicContact CD1-CD1 3.65Å; I100-L155 HydrophobicContact CD1-CD2 3.89Å; I100-L155 HydrophobicContact CD1-CG 4.41Å; Y150-L155 HydrophobicContact CD2-CB 4.11Å; L155-L157 HydrophobicContact CD1-CD2 3.79Å; L155-L157 HydrophobicContact CD1-CG 4.36Å; L155-L157 HydrophobicContact CD2-CD1 4.16Å; L155-L157 HydrophobicContact CD2-CD2 3.97Å; L155-L157 HydrophobicContact CD2-CG 4.09Å; L155-L157 HydrophobicContact CG-CD1 4.49Å; L155-L157 HydrophobicContact CG-CD2 3.86Å; L155-L157 HydrophobicContact CG-CG 3.91Å; L155-K171 HydrophobicContact CB-CB 4.35Å; L155-K171 PolarHBondContact N-O 3.46Å; L155-K171 PolarHBondContact O-N 3.32Å; L155-W216 HydrophobicContact CB-CE3 3.92Å; L155-W216 HydrophobicContact CB-CH2 3.73Å; L155-W216 HydrophobicContact CB-CZ2 4.34Å; L155-W216 HydrophobicContact CB-CZ3 3.47Å; L155-W216 VanDerWaalsContact CB-CZ3 3.47Å; L155-W216 HydrophobicContact CD2-CD2 4Å; L155-W216 HydrophobicContact CD2-CE3 4.22Å; L155-W216 HydrophobicContact CD2-CH2 4.11Å; L155-W216 HydrophobicContact CD2-CZ2 3.86Å; L155-W216 HydrophobicContact CD2-CZ3 4.27Å; L155-W216 HydrophobicContact CG-CH2 4.48Å
156	T	94.6	Very high	85.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124	171	-51.3	0	0	0	0	108.7	Y148 E149 L168 E169 I241 I280	Y148-T156 VanDerWaalsContact CA-O 3.25Å; Y148-T156 WeakPolarHBondContact CA-O 3.39Å; E149-T156 PolarHBondContact N-O 2.82Å; E149-T156 PolarHBondContact O-N 2.78Å; T156-L168 HydrophobicContact CG2-CD1 3.59Å; T156-E169 WeakPolarHBondContact CA-O 3.31Å; T156-I241 HydrophobicContact CG2-CD1 3.95Å; T156-I241 HydrophobicContact CG2-CG2 4.26Å; T156-I280 HydrophobicContact CG2-CD1 4.06Å
157	L	92.3	Very high	85.9	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127	179.4	-62.9	176	0	0	0	109.8	L155 Y159 L168 E169 K171 L209	L155-L157 HydrophobicContact CD1-CD2 3.79Å; L155-L157 HydrophobicContact CD1-CG 4.36Å; L155-L157 HydrophobicContact CD2-CD1 4.16Å; L155-L157 HydrophobicContact CD2-CD2 3.97Å; L155-L157 HydrophobicContact CD2-CG 4.09Å; L155-L157 HydrophobicContact CG-CD1 4.49Å; L155-L157 HydrophobicContact CG-CD2 3.86Å; L155-L157 HydrophobicContact CG-CG 3.91Å; L157-Y159 HydrophobicContact CB-CD1 4.5Å; L157-L168 CarbonylContact O-C 3.55Å; L157-L168 VanDerWaalsContact O-CA 3.26Å; L157-L168 WeakPolarHBondContact O-CA 3.49Å; L157-E169 HydrophobicContact CB-CB 4.4Å; L157-E169 PolarHBondContact N-O 3.42Å; L157-E169 PolarHBondContact O-N 3.36Å; L157-K171 HydrophobicContact CD1-CD 4.11Å; L157-L209 HydrophobicContact CD1-CD2 4.5Å
158	A	91.5	Very high	86	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.8	173.4	0	0	0	0	0	109.9	I147 R167 L168 F238 I241	I147-A158 HydrophobicContact CB-CB 4.44Å; I147-A158 PolarHBondContact N-O 3.37Å; I147-A158 PolarHBondContact O-N 2.96Å; A158-R167 VanDerWaalsContact CA-O 3.3Å; A158-R167 WeakPolarHBondContact CA-O 3.27Å; A158-L168 HydrophobicContact CB-CD1 3.98Å; A158-F238 HydrophobicContact CB-CD1 3.81Å; A158-F238 HydrophobicContact CB-CD2 3.99Å; A158-F238 HydrophobicContact CB-CE1 3.91Å; A158-F238 HydrophobicContact CB-CE2 4.07Å; A158-F238 HydrophobicContact CB-CG 3.86Å; A158-F238 HydrophobicContact CB-CZ 4.03Å; A158-I241 HydrophobicContact CB-CD1 4Å
159	Y	87.1	Confident	86	Confident	17 Å²	17	42.6 Å²	42.6	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.9	-176.3	63.3	-87.7	0	0	0	111.6	L157 R167 E169 F238	L157-Y159 HydrophobicContact CB-CD1 4.5Å; Y159-R167 HydrophobicContact CD1-CB 4.13Å; Y159-R167 HydrophobicContact CD2-CB 4.02Å; Y159-R167 HydrophobicContact CD2-CG 4.41Å; Y159-R167 HydrophobicContact CE1-CB 3.74Å; Y159-R167 HydrophobicContact CE2-CB 3.61Å; Y159-R167 HydrophobicContact CE2-CG 3.77Å; Y159-R167 HydrophobicContact CG-CB 4.26Å; Y159-R167 VanDerWaalsContact CZ-CB 3.46Å; Y159-R167 PolarHBondContact N-O 3.08Å; Y159-R167 PolarHBondContact O-N 3.05Å; Y159-E169 HydrophobicContact CE1-CG 4.2Å; Y159-E169 PolarHBondContact OH-OE1 3.36Å; Y159-F238 WeakPolarHBondContact O-CE2 3.29Å
160	L	82.3	Confident	86	Confident	28 Å²	28	39.6 Å²	39.6	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.9	175.5	-75.4	151.8	0	0	0	108.8	S144 P166 F236	S144-L160 WeakPolarHBondContact CB-O 3.49Å; S144-L160 PolarHBondContact OG-O 2.66Å; L160-P166 HydrophobicContact CD2-CB 4.17Å; L160-F236 HydrophobicContact CD2-CB 4.26Å; L160-F236 HydrophobicContact CD2-CD1 3.83Å; L160-F236 HydrophobicContact CD2-CG 4.33Å
161	S	73.7	Confident	85.9	Confident	33 Å²	33	37.2 Å²	37.2	23%	0.231	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-179.8	175.7	72.4	0	0	0	0	111.9	R163 Y164 I165	S161-R163 PolarHBondContact O-N 3.39Å; S161-Y164 PolarHBondContact O-N 3.07Å; S161-I165 PolarHBondContact N-O 2.92Å; S161-I165 WeakPolarHBondContact OG-CB 3.25Å; S161-I165 PolarHBondContact OG-O 3.12Å
162	N	65.5	Low	85.8	Confident	92 Å²	92	39.8 Å²	39.8	49%	0.492	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	140.3	173.7	-168.8	10.8	0	0	0	111.1
163	R	66.4	Low	85.6	Confident	202 Å²	202	36.6 Å²	36.6	76%	0.762	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	25.2	-174.3	-52.9	-172.5	-79.4	-152.5	-5	116.4	S161 I165	S161-R163 PolarHBondContact O-N 3.39Å; R163-I165 VanDerWaalsContact C-N 3.34Å; R163-I165 PolarHBondContact O-N 2.87Å
164	Y	72	Confident	85.2	Confident	141 Å²	141	38.1 Å²	38.1	55%	0.553	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	36.7	176.8	-51.5	-85.5	0	0	0	113.7	S161 P166	S161-Y164 PolarHBondContact O-N 3.07Å; Y164-P166 WeakPolarHBondContact O-CD 3.46Å
165	I	79.7	Confident	83.9	Confident	30 Å²	30	38.3 Å²	38.3	15%	0.154	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.4	177	-58	167.7	0	0	0	108.3	S161 R163 E232	S161-I165 PolarHBondContact N-O 2.92Å; S161-I165 WeakPolarHBondContact OG-CB 3.25Å; S161-I165 PolarHBondContact OG-O 3.12Å; R163-I165 VanDerWaalsContact C-N 3.34Å; R163-I165 PolarHBondContact O-N 2.87Å; I165-E232 HydrophobicContact CG1-CG 4.49Å; I165-E232 HydrophobicContact CG2-CG 4.41Å
166	P	87.6	Confident	82.2	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	138.5	178.9	29.7	-36.1	0	0	0	111.5	L160 Y164 F230 F236 F238	L160-P166 HydrophobicContact CD2-CB 4.17Å; Y164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-F230 HydrophobicContact CB-CB 4.3Å; P166-F230 HydrophobicContact CB-CD2 3.8Å; P166-F230 HydrophobicContact CB-CE2 4.24Å; P166-F230 HydrophobicContact CB-CG 4.03Å; P166-F230 HydrophobicContact CG-CB 3.35Å; P166-F230 HydrophobicContact CG-CD1 4.48Å; P166-F230 HydrophobicContact CG-CD2 3.68Å; P166-F230 HydrophobicContact CG-CG 3.62Å; P166-F236 HydrophobicContact CB-CD1 3.66Å; P166-F236 HydrophobicContact CB-CD2 4.07Å; P166-F236 HydrophobicContact CB-CE1 3.39Å; P166-F236 HydrophobicContact CB-CE2 3.8Å; P166-F236 HydrophobicContact CB-CG 4Å; P166-F236 HydrophobicContact CB-CZ 3.45Å; P166-F236 VanDerWaalsContact CB-CZ 3.45Å; P166-F236 HydrophobicContact CG-CD1 4.21Å; P166-F236 HydrophobicContact CG-CD2 3.75Å; P166-F236 HydrophobicContact CG-CE1 4.17Å; P166-F236 HydrophobicContact CG-CE2 3.68Å; P166-F236 HydrophobicContact CG-CG 4.02Å; P166-F236 HydrophobicContact CG-CZ 3.89Å; P166-F238 HydrophobicContact CB-CE2 3.86Å; P166-F238 HydrophobicContact CB-CZ 3.82Å
167	R	87.5	Confident	80.2	Confident	23 Å²	23	45 Å²	45	9%	0.087	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136	179.5	-66.2	-62.1	-176.7	147.8	-10.1	109.9	A158 Y159	A158-R167 VanDerWaalsContact CA-O 3.3Å; A158-R167 WeakPolarHBondContact CA-O 3.27Å; Y159-R167 HydrophobicContact CD1-CB 4.13Å; Y159-R167 HydrophobicContact CD2-CB 4.02Å; Y159-R167 HydrophobicContact CD2-CG 4.41Å; Y159-R167 HydrophobicContact CE1-CB 3.74Å; Y159-R167 HydrophobicContact CE2-CB 3.61Å; Y159-R167 HydrophobicContact CE2-CG 3.77Å; Y159-R167 HydrophobicContact CG-CB 4.26Å; Y159-R167 VanDerWaalsContact CZ-CB 3.46Å; Y159-R167 PolarHBondContact N-O 3.08Å; Y159-R167 PolarHBondContact O-N 3.05Å
168	L	92.1	Very high	78	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132	169.4	178.8	73.2	0	0	0	108	T156 L157 A158 E221 T222 F230 V250 I280 F297 F300	T156-L168 HydrophobicContact CG2-CD1 3.59Å; L157-L168 CarbonylContact O-C 3.55Å; L157-L168 VanDerWaalsContact O-CA 3.26Å; L157-L168 WeakPolarHBondContact O-CA 3.49Å; A158-L168 HydrophobicContact CB-CD1 3.98Å; L168-E221 CarbonylContact O-C 3.59Å; L168-E221 WeakPolarHBondContact O-CA 3.4Å; L168-T222 HydrophobicContact CB-CG2 3.67Å; L168-T222 HydrophobicContact CD2-CG2 4.36Å; L168-T222 PolarHBondContact N-OG1 3.06Å; L168-T222 PolarHBondContact O-N 3.22Å; L168-F230 HydrophobicContact CB-CE2 4.04Å; L168-F230 HydrophobicContact CB-CZ 4.08Å; L168-V250 HydrophobicContact CD1-CG2 3.98Å; L168-V250 HydrophobicContact CD2-CG2 4.08Å; L168-I280 HydrophobicContact CD2-CD1 4.2Å; L168-I280 HydrophobicContact CD2-CG2 4.11Å; L168-F297 HydrophobicContact CD2-CE2 4.23Å; L168-F297 HydrophobicContact CD2-CZ 4.49Å; L168-F297 HydrophobicContact CG-CE2 4.11Å; L168-F297 HydrophobicContact CG-CZ 4.36Å; L168-F300 HydrophobicContact CD2-CD2 3.91Å; L168-F300 HydrophobicContact CD2-CE2 3.84Å
169	E	91.3	Very high	75.9	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.8	179.1	-59.2	-174.2	163.9	0	0	110.3	T156 L157 Y159 K171 H210 K218 L220 E221	T156-E169 WeakPolarHBondContact CA-O 3.31Å; L157-E169 HydrophobicContact CB-CB 4.4Å; L157-E169 PolarHBondContact N-O 3.42Å; L157-E169 PolarHBondContact O-N 3.36Å; Y159-E169 HydrophobicContact CE1-CG 4.2Å; Y159-E169 PolarHBondContact OH-OE1 3.36Å; E169-K171 WeakPolarHBondContact OE2-CE 3.4Å; E169-K171 IonicContact OE2-NZ 3.2Å; E169-K171 PolarHBondContact OE2-NZ 2.81Å; E169-H210 IonicContact OE1-CD2 3.74Å; E169-K218 IonicContact OE1-NZ 3.9Å; E169-K218 PolarHBondContact OE1-NZ 3.47Å; E169-L220 CarbonylContact C-O 3.56Å; E169-L220 WeakPolarHBondContact CA-O 3.11Å; E169-E221 HydrophobicContact CG-CB 4.35Å
170	L	93.6	Very high	74.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.8	168.9	-173.2	71.8	0	0	0	108.4	Y154 L219 L220 T282 F297	Y154-L170 HydrophobicContact CD1-CD1 4.3Å; Y154-L170 HydrophobicContact CD1-CD2 4.26Å; Y154-L170 HydrophobicContact CD1-CG 4.26Å; Y154-L170 HydrophobicContact CG-CD1 4.48Å; L170-L219 WeakPolarHBondContact O-CA 3.24Å; L170-L219 WeakPolarHBondContact O-CB 3.28Å; L170-L219 PolarHBondContact O-N 2.92Å; L170-L220 HydrophobicContact CB-CB 4.17Å; L170-L220 HydrophobicContact CD2-CD1 4.06Å; L170-L220 PolarHBondContact N-O 2.86Å; L170-L220 PolarHBondContact O-N 2.84Å; L170-L220 VanDerWaalsContact O-N 3.15Å; L170-T282 WeakPolarHBondContact CD2-O 3.36Å; L170-F297 HydrophobicContact CB-CE1 3.88Å; L170-F297 HydrophobicContact CB-CZ 3.73Å; L170-F297 HydrophobicContact CD2-CE1 4.43Å
171	K	90.8	Very high	72.5	Confident	9 Å²	9	63.9 Å²	63.9	4%	0.039	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.7	177.4	-54.1	-171.2	176.2	-174.8	0	109.8	Y154 L155 L157 E169 L209 W216 N217	Y154-K171 CarbonylContact C-O 3.53Å; Y154-K171 WeakPolarHBondContact CA-O 3.41Å; L155-K171 HydrophobicContact CB-CB 4.35Å; L155-K171 PolarHBondContact N-O 3.46Å; L155-K171 PolarHBondContact O-N 3.32Å; L157-K171 HydrophobicContact CD1-CD 4.11Å; E169-K171 WeakPolarHBondContact OE2-CE 3.4Å; E169-K171 IonicContact OE2-NZ 3.2Å; E169-K171 PolarHBondContact OE2-NZ 2.81Å; K171-L209 PolarHBondContact NZ-O 2.98Å; K171-W216 HydrophobicContact CB-CB 4.17Å; K171-W216 HydrophobicContact CB-CE3 4.06Å; K171-W216 HydrophobicContact CD-CB 3.98Å; K171-N217 CarbonylContact C-O 3.57Å; K171-N217 VanDerWaalsContact CA-O 3.25Å; K171-N217 WeakPolarHBondContact CA-O 3.4Å
172	Q	89.8	Confident	70.9	Confident	75 Å²	75	68.7 Å²	68.7	35%	0.35	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.5	174.4	-176.2	175.6	20.7	0	0	109.7	Y154 N174 N217 L219	Y154-Q172 HydrophobicContact CD1-CB 4.19Å; Y154-Q172 HydrophobicContact CD1-CG 4.44Å; Y154-Q172 HydrophobicContact CE1-CB 4.23Å; Y154-Q172 HydrophobicContact CE1-CG 4.23Å; Q172-N174 PolarHBondContact O-N 3.35Å; Q172-N217 PolarHBondContact N-O 2.9Å; Q172-N217 PolarHBondContact O-N 3Å; Q172-L219 HydrophobicContact CB-CD1 3.63Å; Q172-L219 HydrophobicContact CB-CD2 4.31Å; Q172-L219 HydrophobicContact CB-CG 3.94Å
173	L	84.8	Confident	69.8	Low	35 Å²	35	67.4 Å²	67.4	18%	0.183	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.9	-179.8	-175.2	61.9	0	0	0	110.2	L102 Y150 G153 L175 W216	L102-L173 HydrophobicContact CD2-CD1 3.95Å; L102-L173 HydrophobicContact CD2-CD2 4.28Å; Y150-L173 WeakPolarHBondContact OH-CD2 3.25Å; G153-L173 PolarHBondContact O-N 2.95Å; L173-L175 HydrophobicContact CD1-CD1 4.37Å; L173-L175 HydrophobicContact CD1-CD2 4.09Å; L173-L175 HydrophobicContact CD1-CG 3.81Å; L173-L175 HydrophobicContact CD2-CD1 3.64Å; L173-L175 HydrophobicContact CD2-CG 3.9Å; L173-L175 HydrophobicContact CG-CD1 4.09Å; L173-L175 HydrophobicContact CG-CG 3.75Å; L173-W216 HydrophobicContact CB-CE3 4.14Å; L173-W216 HydrophobicContact CB-CH2 4.1Å; L173-W216 HydrophobicContact CB-CZ3 3.62Å; L173-W216 HydrophobicContact CD1-CD2 4.38Å; L173-W216 HydrophobicContact CD1-CE3 4.27Å; L173-W216 HydrophobicContact CD1-CH2 3.87Å; L173-W216 HydrophobicContact CD1-CZ2 4Å; L173-W216 HydrophobicContact CD1-CZ3 4.01Å; L173-W216 HydrophobicContact CG-CH2 4.47Å; L173-W216 HydrophobicContact CG-CZ3 4.39Å
174	N	79.7	Confident	68.4	Low	55 Å²	55	64 Å²	64	29%	0.294	33%	0.325	S	S	.	.			trans	-112.1	70.9	175.8	-172.5	11.6	0	0	0	109	Q172 I176 R215 N217	Q172-N174 PolarHBondContact O-N 3.35Å; N174-I176 PolarHBondContact O-N 3.32Å; N174-R215 CarbonylContact C-O 3.6Å; N174-R215 WeakPolarHBondContact CA-O 3.25Å; N174-R215 PolarHBondContact N-O 3.04Å; N174-N217 PolarHBondContact ND2-ND2 3.02Å; N174-N217 PolarHBondContact ND2-OD1 2.88Å
175	L	66.4	Low	66.7	Low	40 Å²	40	65.2 Å²	65.2	21%	0.209	34%	0.336	C	S	.	.			trans	-81.1	102.2	169	-65.6	172.5	0	0	0	107.9	L173 S177 I180	L173-L175 HydrophobicContact CD1-CD1 4.37Å; L173-L175 HydrophobicContact CD1-CD2 4.09Å; L173-L175 HydrophobicContact CD1-CG 3.81Å; L173-L175 HydrophobicContact CD2-CD1 3.64Å; L173-L175 HydrophobicContact CD2-CG 3.9Å; L173-L175 HydrophobicContact CG-CD1 4.09Å; L173-L175 HydrophobicContact CG-CG 3.75Å; L175-S177 VanDerWaalsContact C-N 3.26Å; L175-S177 PolarHBondContact O-N 3Å; L175-I180 HydrophobicContact CD2-CD1 3.41Å; L175-I180 VanDerWaalsContact CD2-CD1 3.41Å; L175-I180 HydrophobicContact CG-CD1 4.43Å
176	I	57.1	Low	64.3	Low	74 Å²	74	69.7 Å²	69.7	38%	0.379	37%	0.365	S	S	.	.			trans	-62.6	98.3	160.3	-57.6	169.6	0	0	0	105.8	N174 N178 R179	N174-I176 PolarHBondContact O-N 3.32Å; I176-N178 HydrophobicContact CG2-CB 4.41Å; I176-N178 PolarHBondContact O-N 3.39Å; I176-R179 PolarHBondContact O-N 2.91Å
177	S	52.8	Low	61.8	Low	70 Å²	70	77.8 Å²	77.8	49%	0.49	41%	0.407	S	S	.	.	H	α-helix	trans	-54.7	-21.4	-172.2	-153.7	0	0	0	0	113.1	L175	L175-S177 VanDerWaalsContact C-N 3.26Å; L175-S177 PolarHBondContact O-N 3Å
178	N	45.6	Very low	59	Low	135 Å²	135	84.4 Å²	84.4	72%	0.722	44%	0.439	S	S	*	.	H	α-helix	trans	-79.4	-21.8	-179.2	-72.1	14.2	0	0	0	115.1	I176	I176-N178 HydrophobicContact CG2-CB 4.41Å; I176-N178 PolarHBondContact O-N 3.39Å
179	R	48.8	Very low	56.4	Low	166 Å²	166	91.9 Å²	91.9	63%	0.626	48%	0.479	S	S	*	.	H	α-helix	trans	-85	-25.9	-176.4	-79.5	-160.6	-118.7	-168.6	-0.7	114.7	I176	I176-R179 PolarHBondContact O-N 2.91Å
180	I	50.4	Low	53.6	Low	48 Å²	48	99.1 Å²	99.1	25%	0.246	52%	0.518	C	S	.	.	H	α-helix	trans	-88.6	-26.9	-172.7	-62.2	168.4	0	0	0	112	L132 L175	L132-I180 HydrophobicContact CD1-CG2 4.2Å; L175-I180 HydrophobicContact CD2-CD1 3.41Å; L175-I180 VanDerWaalsContact CD2-CD1 3.41Å; L175-I180 HydrophobicContact CG-CD1 4.43Å
181	V	47.8	Very low	50.6	Low	108 Å²	108	103.9 Å²	103.9	66%	0.655	55%	0.547	S	S	*	.	H	α-helix	trans	-77.6	-27.3	-175.8	-178	0	0	0	0	112.1
182	N	39.5	Very low	47.7	Very low	134 Å²	134	110.2 Å²	110.2	72%	0.717	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	33.7	-175.6	-71.4	9.6	0	0	0	113.9	N184	N182-N184 PolarHBondContact O-N 3.27Å
183	V	41.6	Very low	44.9	Very low	65 Å²	65	114.2 Å²	114.2	39%	0.394	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	9	174.8	-175.3	0	0	0	0	112.3
184	N	38	Very low	42.2	Very low	130 Å²	130	119.3 Å²	119.3	70%	0.695	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-6.9	-178.4	-90.9	16.5	0	0	0	115.6	N182	N182-N184 PolarHBondContact O-N 3.27Å
185	E	35.6	Very low	40.1	Very low	166 Å²	166	124.2 Å²	124.2	78%	0.776	65%	0.647	S	S	*	*	S	Bend	trans	-140.6	122.4	-177.7	-68.9	177.5	168.8	0	0	110.4
186	T	28.7	Very low	38.2	Very low	124 Å²	124	128.1 Å²	128.1	76%	0.761	67%	0.672	S	S	*	*			trans	60.4	78.1	161.7	64.4	0	0	0	0	117.6	Q188	T186-Q188 PolarHBondContact O-N 3.44Å
187	L	35	Very low	37.1	Very low	175 Å²	175	130.9 Å²	130.9	92%	0.916	69%	0.688	S	S	*	*			trans	-86.7	75.6	142.7	-80.9	163.2	0	0	0	107.5
188	Q	29.5	Very low	36.4	Very low	162 Å²	162	135.2 Å²	135.2	76%	0.757	71%	0.706	S	S	*	*	S	Bend	trans	-108.2	100.2	165	-165.8	150.1	5.3	0	0	105.7	T186 D190	T186-Q188 PolarHBondContact O-N 3.44Å; Q188-D190 PolarHBondContact O-N 2.88Å
189	D	36.5	Very low	35.9	Very low	158 Å²	158	132.8 Å²	132.8	85%	0.845	70%	0.699	S	S	*	*			trans	46.8	50.9	160.4	-94.1	-14.5	0	0	0	117.9	T191	D189-T191 VanDerWaalsContact C-N 3.33Å; D189-T191 PolarHBondContact O-N 2.99Å; D189-T191 VanDerWaalsContact O-N 3.17Å
190	D	32.8	Very low	35.1	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	71%	0.707	S	S	*	*			trans	-87.9	82.2	161.2	-90.1	-13.8	0	0	0	110.4	Q188	Q188-D190 PolarHBondContact O-N 2.88Å
191	T	30.8	Very low	34.5	Very low	100 Å²	100	136.4 Å²	136.4	61%	0.613	73%	0.73	S	S	*	*			trans	49.7	86.9	148.4	58.9	0	0	0	0	117	D189 H193	D189-T191 VanDerWaalsContact C-N 3.33Å; D189-T191 PolarHBondContact O-N 2.99Å; D189-T191 VanDerWaalsContact O-N 3.17Å; T191-H193 PolarHBondContact O-N 3.07Å
192	L	30.8	Very low	33.9	Very low	142 Å²	142	141.8 Å²	141.8	74%	0.743	74%	0.74	S	S	*	*			trans	-53.5	87.3	144.5	-170	68.9	0	0	0	108.3	H194	L192-H194 WeakPolarHBondContact CD2-NE2 3.5Å; L192-H194 PolarHBondContact O-N 2.89Å
193	H	30.8	Very low	33.7	Very low	160 Å²	160	142.5 Å²	142.5	74%	0.741	74%	0.744	S	S	*	*			trans	-63.7	84.9	163.9	-96.8	-70.3	0	0	0	107.4	T191 L195	T191-H193 PolarHBondContact O-N 3.07Å; H193-L195 PolarHBondContact O-N 3Å
194	H	28.9	Very low	33.3	Very low	142 Å²	142	146.5 Å²	146.5	66%	0.657	76%	0.763	S	S	*	*			trans	-58.3	93.4	153.6	-83.1	-68.1	0	0	0	106.7	L192 T196	L192-H194 WeakPolarHBondContact CD2-NE2 3.5Å; L192-H194 PolarHBondContact O-N 2.89Å; H194-T196 PolarHBondContact O-N 3.04Å
195	L	33.9	Very low	33	Very low	158 Å²	158	146.7 Å²	146.7	83%	0.827	76%	0.764	S	S	*	*			trans	-62.9	88	159.5	-76.4	156.9	0	0	0	106.6	H193 D197	H193-L195 PolarHBondContact O-N 3Å; L195-D197 VanDerWaalsContact C-N 3.32Å; L195-D197 PolarHBondContact O-N 3.21Å
196	T	28	Very low	32.8	Very low	121 Å²	121	146 Å²	146	74%	0.742	76%	0.755	S	S	*	*			trans	-74	89.5	160.4	49.7	0	0	0	0	107.1	H194	H194-T196 PolarHBondContact O-N 3.04Å
197	D	33.2	Very low	33	Very low	132 Å²	132	147 Å²	147	71%	0.706	75%	0.745	S	S	*	*			trans	-139.6	96.5	159.9	-103	-25	0	0	0	108.4	L195 S199	L195-D197 VanDerWaalsContact C-N 3.32Å; L195-D197 PolarHBondContact O-N 3.21Å; D197-S199 PolarHBondContact O-N 2.69Å
198	D	37.7	Very low	33.1	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	71%	0.705	S	S	*	*			trans	-70.1	52.5	175.9	-82.2	-37.2	0	0	0	112.1
199	S	34.5	Very low	33.8	Very low	84 Å²	84	133.2 Å²	133.2	59%	0.587	68%	0.679	S	S	*	*	S	Bend	trans	-133.4	111.7	172.2	65.1	0	0	0	0	111.8	D197	D197-S199 PolarHBondContact O-N 2.69Å
200	N	32.5	Very low	33.9	Very low	146 Å²	146	129.2 Å²	129.2	78%	0.781	66%	0.655	S	S	*	*			trans	66.9	65.9	169.3	-57.8	-19.3	0	0	0	116.5	Y202	N200-Y202 PolarHBondContact O-N 3.42Å
201	I	37.5	Very low	34.5	Very low	143 Å²	143	123.7 Å²	123.7	73%	0.733	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	6	173.7	-71.3	167.4	0	0	0	115.2
202	Y	35.7	Very low	35.1	Very low	222 Å²	222	123.7 Å²	123.7	87%	0.871	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	0.1	-177.5	-87.8	-77.2	0	0	0	117.3	N200	N200-Y202 PolarHBondContact O-N 3.42Å
203	D	35.9	Very low	36.4	Very low	149 Å²	149	118 Å²	118	80%	0.797	60%	0.602	S	S	*	*	S	Bend	trans	-127.5	-3.8	-177.5	-112.9	-16.7	0	0	0	117.4
204	N	33.5	Very low	37.7	Very low	149 Å²	149	114.7 Å²	114.7	80%	0.797	59%	0.589	S	S	*	*	S	Bend	trans	-134.2	96.4	177	-79.8	-26.7	0	0	0	110.8
205	D	31.8	Very low	39.7	Very low	133 Å²	133	108.3 Å²	108.3	71%	0.711	56%	0.559	S	S	*	*			trans	158.1	49.2	150.9	-83.4	-12.8	0	0	0	111.5	W207	D205-W207 VanDerWaalsContact C-N 3.25Å; D205-W207 PolarHBondContact O-N 3.05Å
206	Y	30	Very low	42	Very low	152 Å²	152	101.3 Å²	101.3	60%	0.596	52%	0.521	S	S	*	.			trans	-82.8	76.5	167.5	-145.9	-107	0	0	0	109	F138 S208	F138-Y206 HydrophobicContact CD1-CE1 4.2Å; F138-Y206 AromaticContact CD1-CE2 3.96Å; F138-Y206 HydrophobicContact CD1-CE2 3.96Å; F138-Y206 AromaticContact CD1-CZ 3.75Å; F138-Y206 HydrophobicContact CE1-CE1 4.4Å; F138-Y206 AromaticContact CE1-CE2 3.72Å; F138-Y206 HydrophobicContact CE1-CE2 3.72Å; F138-Y206 AromaticContact CE1-CZ 3.54Å; F138-Y206 VanDerWaalsContact CE1-OH 3.28Å; F138-Y206 WeakPolarHBondContact CE1-OH 3.27Å; F138-Y206 HydrophobicContact CZ-CE2 4.42Å; Y206-S208 VanDerWaalsContact CD1-OG 3.29Å; Y206-S208 WeakPolarHBondContact CD1-OG 3.35Å; Y206-S208 PolarHBondContact O-N 3.35Å; Y206-S208 PolarHBondContact O-OG 2.89Å
207	W	33.1	Very low	44.7	Very low	144 Å²	144	97.9 Å²	97.9	55%	0.545	50%	0.499	S	S	.	.			trans	-65.1	47.7	167.7	-68.8	96.8	0	0	0	111.6	V137 F138 D205	V137-W207 CarbonylContact C-O 3.58Å; V137-W207 WeakPolarHBondContact CG1-O 2.94Å; F138-W207 WeakPolarHBondContact CA-O 3.44Å; F138-W207 WeakPolarHBondContact CB-O 3.35Å; F138-W207 PolarHBondContact N-O 2.89Å; D205-W207 VanDerWaalsContact C-N 3.25Å; D205-W207 PolarHBondContact O-N 3.05Å
208	S	37.9	Very low	47.2	Very low	12 Å²	12	93.5 Å²	93.5	8%	0.084	47%	0.473	C	S	.	.	B	Isolated β-bridge	trans	-70.3	155.8	172.6	58.9	0	0	0	0	109.6	F138 Y206 H210 G211	F138-S208 VanDerWaalsContact O-CA 3.22Å; F138-S208 WeakPolarHBondContact O-CA 3.16Å; Y206-S208 VanDerWaalsContact CD1-OG 3.29Å; Y206-S208 WeakPolarHBondContact CD1-OG 3.35Å; Y206-S208 PolarHBondContact O-N 3.35Å; Y206-S208 PolarHBondContact O-OG 2.89Å; S208-H210 WeakPolarHBondContact CB-ND1 3.39Å; S208-H210 PolarHBondContact O-N 3.16Å; S208-H210 WeakPolarHBondContact OG-CB 3.33Å; S208-H210 PolarHBondContact OG-ND1 2.94Å; S208-G211 PolarHBondContact O-N 2.95Å
209	L	44	Very low	49.7	Very low	37 Å²	37	87.9 Å²	87.9	19%	0.194	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-12.6	164.7	-87.3	167.5	0	0	0	114.3	V137 F138 L139 L157 K171	V137-L209 HydrophobicContact CG1-CD2 4.41Å; V137-L209 HydrophobicContact CG1-CG 4.08Å; F138-L209 PolarHBondContact O-N 2.81Å; L139-L209 HydrophobicContact CD1-CB 4.36Å; L139-L209 HydrophobicContact CD1-CD1 3.13Å; L139-L209 HydrophobicContact CD1-CD2 4.48Å; L139-L209 HydrophobicContact CD1-CG 3.39Å; L139-L209 HydrophobicContact CD2-CD1 3.95Å; L139-L209 HydrophobicContact CG-CD1 3.64Å; L139-L209 HydrophobicContact CG-CG 4.36Å; L157-L209 HydrophobicContact CD1-CD2 4.5Å; K171-L209 PolarHBondContact NZ-O 2.98Å
210	H	38.1	Very low	52.5	Low	74 Å²	74	84 Å²	84	34%	0.343	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.4	175.7	-50.5	97	0	0	0	114.9	E169 S208 K218	E169-H210 IonicContact OE1-CD2 3.74Å; S208-H210 WeakPolarHBondContact CB-ND1 3.39Å; S208-H210 PolarHBondContact O-N 3.16Å; S208-H210 WeakPolarHBondContact OG-CB 3.33Å; S208-H210 PolarHBondContact OG-ND1 2.94Å; H210-K218 WeakPolarHBondContact O-CD 3.34Å
211	G	45.1	Very low	55.2	Low	35 Å²	35	77.5 Å²	77.5	36%	0.361	38%	0.38	S	S	.	.	S	Bend	trans	-86.6	160.6	177.6	0	0	0	0	0	113.7	S208 S213	S208-G211 PolarHBondContact O-N 2.95Å; G211-S213 PolarHBondContact O-N 2.82Å
212	N	45	Very low	57.7	Low	100 Å²	100	70.7 Å²	70.7	54%	0.535	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-61.1	118.7	160.5	-71.8	-22.8	0	0	0	107.3	W216 N217 K218	N212-W216 WeakPolarHBondContact CA-O 3.36Å; N212-N217 WeakPolarHBondContact OD1-CA 3.43Å; N212-K218 PolarHBondContact OD1-N 2.74Å
213	S	58.2	Low	59.8	Low	24 Å²	24	60.9 Å²	60.9	17%	0.168	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-76.9	170.3	164.7	74	0	0	0	0	108.6	E135 G211 R215 W216	E135-S213 WeakPolarHBondContact OE1-CB 3.29Å; G211-S213 PolarHBondContact O-N 2.82Å; S213-R215 PolarHBondContact O-N 3.33Å; S213-R215 PolarHBondContact OG-N 2.77Å; S213-W216 PolarHBondContact N-O 3.48Å; S213-W216 VanDerWaalsContact N-O 3.16Å; S213-W216 PolarHBondContact OG-N 2.04Å
214	I	58.1	Low	61.5	Low	90 Å²	90	59 Å²	59	46%	0.462	29%	0.294	S	S	.	.	S	Bend	trans	-53.8	-19.6	171.2	-63.5	166.4	0	0	0	111.4
215	R	70.8	Confident	63.1	Low	8 Å²	8	57.3 Å²	57.3	3%	0.03	29%	0.285	C	S	.	.	S	Bend	trans	-117.2	-30.2	-167.3	-61.3	175	-80.4	-179.7	-21.7	115	E108 C119 E135 N174 S213	E108-R215 IonicContact OE1-CZ 2.64Å; E108-R215 IonicContact OE1-NE 3.44Å; E108-R215 IonicContact OE1-NH1 2.76Å; E108-R215 PolarHBondContact OE1-NH1 3.04Å; C119-R215 PolarHBondContact O-NH2 3.12Å; E135-R215 IonicContact OE2-CZ 3.94Å; E135-R215 VanDerWaalsContact OE2-CZ 3.25Å; E135-R215 IonicContact OE2-NE 3.85Å; E135-R215 PolarHBondContact OE2-NE 2.98Å; E135-R215 IonicContact OE2-NH2 3.44Å; E135-R215 PolarHBondContact OE2-NH2 2.86Å; N174-R215 CarbonylContact C-O 3.6Å; N174-R215 WeakPolarHBondContact CA-O 3.25Å; N174-R215 PolarHBondContact N-O 3.04Å; S213-R215 PolarHBondContact O-N 3.33Å; S213-R215 PolarHBondContact OG-N 2.77Å
216	W	81.5	Confident	64.4	Low	11 Å²	11	59.5 Å²	59.5	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.7	-173.1	-66.9	107.3	0	0	0	109.8	I100 L102 E108 Y150 L155 K171 L173 N212 S213 K218	I100-W216 HydrophobicContact CD1-CZ2 4.47Å; L102-W216 HydrophobicContact CD2-CH2 4.14Å; L102-W216 HydrophobicContact CD2-CZ2 3.77Å; E108-W216 PolarHBondContact OE1-NE1 2.97Å; E108-W216 VanDerWaalsContact OE1-NE1 3.14Å; E108-W216 WeakPolarHBondContact OE2-CZ2 3.46Å; E108-W216 PolarHBondContact OE2-NE1 2.96Å; Y150-W216 AromaticContact CD2-CH2 3.63Å; Y150-W216 HydrophobicContact CD2-CH2 3.63Å; Y150-W216 HydrophobicContact CD2-CZ3 4.11Å; Y150-W216 AromaticContact CE2-CH2 3.53Å; Y150-W216 HydrophobicContact CE2-CH2 3.53Å; Y150-W216 AromaticContact CE2-CZ3 3.87Å; Y150-W216 HydrophobicContact CE2-CZ3 3.87Å; Y150-W216 HydrophobicContact CG-CH2 4.49Å; L155-W216 HydrophobicContact CB-CE3 3.92Å; L155-W216 HydrophobicContact CB-CH2 3.73Å; L155-W216 HydrophobicContact CB-CZ2 4.34Å; L155-W216 HydrophobicContact CB-CZ3 3.47Å; L155-W216 VanDerWaalsContact CB-CZ3 3.47Å; L155-W216 HydrophobicContact CD2-CD2 4Å; L155-W216 HydrophobicContact CD2-CE3 4.22Å; L155-W216 HydrophobicContact CD2-CH2 4.11Å; L155-W216 HydrophobicContact CD2-CZ2 3.86Å; L155-W216 HydrophobicContact CD2-CZ3 4.27Å; L155-W216 HydrophobicContact CG-CH2 4.48Å; K171-W216 HydrophobicContact CB-CB 4.17Å; K171-W216 HydrophobicContact CB-CE3 4.06Å; K171-W216 HydrophobicContact CD-CB 3.98Å; L173-W216 HydrophobicContact CB-CE3 4.14Å; L173-W216 HydrophobicContact CB-CH2 4.1Å; L173-W216 HydrophobicContact CB-CZ3 3.62Å; L173-W216 HydrophobicContact CD1-CD2 4.38Å; L173-W216 HydrophobicContact CD1-CE3 4.27Å; L173-W216 HydrophobicContact CD1-CH2 3.87Å; L173-W216 HydrophobicContact CD1-CZ2 4Å; L173-W216 HydrophobicContact CD1-CZ3 4.01Å; L173-W216 HydrophobicContact CG-CH2 4.47Å; L173-W216 HydrophobicContact CG-CZ3 4.39Å; N212-W216 WeakPolarHBondContact CA-O 3.36Å; S213-W216 PolarHBondContact N-O 3.48Å; S213-W216 VanDerWaalsContact N-O 3.16Å; S213-W216 PolarHBondContact OG-N 2.04Å; W216-K218 PolarHBondContact O-N 3.34Å
217	N	84.6	Confident	65.7	Low	49 Å²	49	55.9 Å²	55.9	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.3	169.5	-69.7	-11.7	0	0	0	108.1	K171 Q172 N174 N212 L219	K171-N217 CarbonylContact C-O 3.57Å; K171-N217 VanDerWaalsContact CA-O 3.25Å; K171-N217 WeakPolarHBondContact CA-O 3.4Å; Q172-N217 PolarHBondContact N-O 2.9Å; Q172-N217 PolarHBondContact O-N 3Å; N174-N217 PolarHBondContact ND2-ND2 3.02Å; N174-N217 PolarHBondContact ND2-OD1 2.88Å; N212-N217 WeakPolarHBondContact OD1-CA 3.43Å; N217-L219 HydrophobicContact CB-CD2 4.47Å; N217-L219 PolarHBondContact O-N 2.78Å
218	K	86.1	Confident	67.3	Low	39 Å²	39	49.6 Å²	49.6	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.3	173.1	-176	173.3	178.7	164	0	108.6	E169 H210 N212 W216 E221	E169-K218 IonicContact OE1-NZ 3.9Å; E169-K218 PolarHBondContact OE1-NZ 3.47Å; H210-K218 WeakPolarHBondContact O-CD 3.34Å; N212-K218 PolarHBondContact OD1-N 2.74Å; W216-K218 PolarHBondContact O-N 3.34Å; K218-E221 VanDerWaalsContact CE-OE2 3.28Å; K218-E221 WeakPolarHBondContact CE-OE2 3.46Å; K218-E221 IonicContact NZ-OE2 3.56Å; K218-E221 PolarHBondContact NZ-OE2 3.04Å
219	L	90	Very high	69.4	Low	45 Å²	45	49.1 Å²	49.1	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-52	-178.2	-63.6	-171	0	0	0	111.7	Y154 L170 Q172 N217 K295	Y154-L219 HydrophobicContact CD1-CD1 3.99Å; Y154-L219 HydrophobicContact CE1-CD1 3.62Å; L170-L219 WeakPolarHBondContact O-CA 3.24Å; L170-L219 WeakPolarHBondContact O-CB 3.28Å; L170-L219 PolarHBondContact O-N 2.92Å; Q172-L219 HydrophobicContact CB-CD1 3.63Å; Q172-L219 HydrophobicContact CB-CD2 4.31Å; Q172-L219 HydrophobicContact CB-CG 3.94Å; N217-L219 HydrophobicContact CB-CD2 4.47Å; N217-L219 PolarHBondContact O-N 2.78Å; L219-K295 WeakPolarHBondContact O-CB 3.41Å; L219-K295 VanDerWaalsContact O-CD 3.28Å; L219-K295 WeakPolarHBondContact O-CD 3.25Å
220	L	92.2	Very high	71.3	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.7	-172.5	-59.6	169.9	0	0	0	111.3	E169 L170 D284 K295 F297	E169-L220 CarbonylContact C-O 3.56Å; E169-L220 WeakPolarHBondContact CA-O 3.11Å; L170-L220 HydrophobicContact CB-CB 4.17Å; L170-L220 HydrophobicContact CD2-CD1 4.06Å; L170-L220 PolarHBondContact N-O 2.86Å; L170-L220 PolarHBondContact O-N 2.84Å; L170-L220 VanDerWaalsContact O-N 3.15Å; L220-D284 HydrophobicContact CD1-CB 3.61Å; L220-K295 CarbonylContact C-O 3.57Å; L220-K295 VanDerWaalsContact CA-O 3.3Å; L220-K295 WeakPolarHBondContact CA-O 3.31Å; L220-K295 HydrophobicContact CD2-CB 4.24Å; L220-K295 HydrophobicContact CD2-CD 3.76Å; L220-K295 HydrophobicContact CD2-CG 3.71Å; L220-F297 HydrophobicContact CB-CD1 3.75Å; L220-F297 HydrophobicContact CB-CD2 4.34Å; L220-F297 HydrophobicContact CB-CE1 3.51Å; L220-F297 HydrophobicContact CB-CE2 4.13Å; L220-F297 HydrophobicContact CB-CG 4.16Å; L220-F297 HydrophobicContact CB-CZ 3.71Å; L220-F297 HydrophobicContact CD1-CD1 3.57Å; L220-F297 HydrophobicContact CD1-CE1 3.65Å; L220-F297 HydrophobicContact CG-CD1 4.27Å; L220-F297 HydrophobicContact CG-CE1 4.23Å
221	E	90.8	Very high	73.4	Confident	9 Å²	9	45.6 Å²	45.6	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.2	170.7	64.5	171.8	-166.9	0	0	112.9	L168 E169 K218 S294 K295 L296 F297	L168-E221 CarbonylContact O-C 3.59Å; L168-E221 WeakPolarHBondContact O-CA 3.4Å; E169-E221 HydrophobicContact CG-CB 4.35Å; K218-E221 VanDerWaalsContact CE-OE2 3.28Å; K218-E221 WeakPolarHBondContact CE-OE2 3.46Å; K218-E221 IonicContact NZ-OE2 3.56Å; K218-E221 PolarHBondContact NZ-OE2 3.04Å; E221-S294 VanDerWaalsContact OE1-CB 3.28Å; E221-S294 WeakPolarHBondContact OE1-CB 3.27Å; E221-K295 PolarHBondContact N-O 3.32Å; E221-L296 HydrophobicContact CG-CD2 3.87Å; E221-L296 VanDerWaalsContact O-CA 3.28Å; E221-L296 WeakPolarHBondContact O-CA 3.33Å; E221-F297 VanDerWaalsContact O-CD2 3.26Å; E221-F297 WeakPolarHBondContact O-CD2 3.28Å; E221-F297 PolarHBondContact O-N 2.87Å; E221-F297 VanDerWaalsContact O-N 3.13Å
222	T	89	Confident	74.8	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.241	C	C	.	.			trans	-76.9	146.3	169.5	48.5	0	0	0	0	111.9	L168 H229 F230 F297 F300	L168-T222 HydrophobicContact CB-CG2 3.67Å; L168-T222 HydrophobicContact CD2-CG2 4.36Å; L168-T222 PolarHBondContact N-OG1 3.06Å; L168-T222 PolarHBondContact O-N 3.22Å; T222-H229 WeakPolarHBondContact CA-ND1 3.34Å; T222-H229 HydrophobicContact CG2-CB 3.98Å; T222-H229 WeakPolarHBondContact CG2-ND1 3.45Å; T222-F230 HydrophobicContact CG2-CD2 4.33Å; T222-F230 HydrophobicContact CG2-CE2 3.69Å; T222-F230 HydrophobicContact CG2-CZ 4.33Å; T222-F297 HydrophobicContact CG2-CD2 3.88Å; T222-F297 HydrophobicContact CG2-CE2 4.18Å; T222-F300 HydrophobicContact CG2-CD2 4.5Å
223	S	80.2	Confident	76.2	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.112	23%	0.225	C	C	.	.			trans	-57.6	143.9	179.4	-165.7	0	0	0	0	112.6	L225 S228 H229	S223-L225 VanDerWaalsContact C-N 3.27Å; S223-L225 WeakPolarHBondContact OG-CB 3.28Å; S223-L225 WeakPolarHBondContact OG-CG 3.13Å; S223-L225 PolarHBondContact OG-N 3.29Å; S223-L225 VanDerWaalsContact OG-N 3.1Å; S223-S228 WeakPolarHBondContact CB-OG 3.4Å; S223-H229 PolarHBondContact N-ND1 3.26Å
224	K	72.4	Confident	76.9	Confident	108 Å²	108	50.1 Å²	50.1	47%	0.47	24%	0.243	S	C	.	.			trans	-80.8	-9.1	167.5	-46.7	-168.4	178.1	149.3	0	112.6	D292	K224-D292 IonicContact NZ-OD2 3.42Å
225	L	65.2	Low	77.9	Confident	115 Å²	115	46.6 Å²	46.6	60%	0.602	22%	0.224	S	C	*	.	S	Bend	trans	-76.1	140	-174.5	-61.4	168.5	0	0	0	110.1	S223 N227 M289	S223-L225 VanDerWaalsContact C-N 3.27Å; S223-L225 WeakPolarHBondContact OG-CB 3.28Å; S223-L225 WeakPolarHBondContact OG-CG 3.13Å; S223-L225 PolarHBondContact OG-N 3.29Å; S223-L225 VanDerWaalsContact OG-N 3.1Å; L225-N227 PolarHBondContact O-N 2.77Å; L225-M289 HydrophobicContact CD1-CE 4.31Å
226	K	59.8	Low	78.7	Confident	178 Å²	178	46.3 Å²	46.3	77%	0.774	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-6.6	-174.3	-73.1	-176.2	175.2	179.7	0	116.5
227	N	57.9	Low	79.1	Confident	77 Å²	77	47.7 Å²	47.7	41%	0.412	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	15.4	-163.7	-75.8	-21.9	0	0	0	117	L225 R400	L225-N227 PolarHBondContact O-N 2.77Å; N227-R400 WeakPolarHBondContact OD1-CD 3.49Å; N227-R400 PolarHBondContact OD1-NH1 3.06Å
228	S	67.3	Low	79.5	Confident	11 Å²	11	45.8 Å²	45.8	8%	0.077	22%	0.22	C	C	.	.	S	Bend	trans	-112.7	-59.1	-166.6	131.5	0	0	0	0	116	S223 L471 S474	S223-S228 WeakPolarHBondContact CB-OG 3.4Å; S228-L471 CarbonylContact C-O 3.42Å; S228-L471 WeakPolarHBondContact CA-O 3.46Å; S228-L471 WeakPolarHBondContact CB-O 3.43Å; S228-L471 PolarHBondContact OG-O 2.97Å; S228-S474 WeakPolarHBondContact O-CB 3.48Å; S228-S474 PolarHBondContact O-OG 3.04Å
229	H	80	Confident	79.9	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.014	22%	0.22	C	C	.	.	S	Bend	trans	-113.9	-45.8	-170.7	-62.7	161	0	0	0	114.2	T222 S223 F297 F300 K302 L471	T222-H229 WeakPolarHBondContact CA-ND1 3.34Å; T222-H229 HydrophobicContact CG2-CB 3.98Å; T222-H229 WeakPolarHBondContact CG2-ND1 3.45Å; S223-H229 PolarHBondContact N-ND1 3.26Å; H229-F297 PolarHBondContact CE1-O 2.87Å; H229-F297 PolarHBondContact NE2-O 3.48Å; H229-F300 HydrophobicContact CB-CD1 3.85Å; H229-F300 HydrophobicContact CB-CE1 3.81Å; H229-F300 HydrophobicContact CB-CG 4.41Å; H229-F300 HydrophobicContact CB-CZ 4.31Å; H229-F300 AromaticContact CD2-CD1 3.81Å; H229-F300 AromaticContact CG-CD1 3.86Å; H229-F300 VanDerWaalsContact O-CE1 3.3Å; H229-F300 WeakPolarHBondContact O-CE1 3.32Å; H229-K302 WeakPolarHBondContact O-CE 3.33Å; H229-K302 PolarHBondContact O-NZ 3.11Å; H229-L471 WeakPolarHBondContact NE2-CD2 3.38Å
230	F	85.9	Confident	80.1	Confident	23 Å²	23	47.8 Å²	47.8	10%	0.101	23%	0.226	C	C	.	.			trans	-121.9	151.5	-178.8	-63.4	-59.5	0	0	0	111.6	P166 L168 T222 F236 F238 F252 F300	P166-F230 HydrophobicContact CB-CB 4.3Å; P166-F230 HydrophobicContact CB-CD2 3.8Å; P166-F230 HydrophobicContact CB-CE2 4.24Å; P166-F230 HydrophobicContact CB-CG 4.03Å; P166-F230 HydrophobicContact CG-CB 3.35Å; P166-F230 HydrophobicContact CG-CD1 4.48Å; P166-F230 HydrophobicContact CG-CD2 3.68Å; P166-F230 HydrophobicContact CG-CG 3.62Å; L168-F230 HydrophobicContact CB-CE2 4.04Å; L168-F230 HydrophobicContact CB-CZ 4.08Å; T222-F230 HydrophobicContact CG2-CD2 4.33Å; T222-F230 HydrophobicContact CG2-CE2 3.69Å; T222-F230 HydrophobicContact CG2-CZ 4.33Å; F230-F236 HydrophobicContact CB-CE2 4.01Å; F230-F236 AromaticContact CD1-CE2 3.55Å; F230-F236 HydrophobicContact CD1-CE2 3.55Å; F230-F236 AromaticContact CD1-CZ 3.6Å; F230-F236 HydrophobicContact CD1-CZ 3.6Å; F230-F236 HydrophobicContact CE1-CE2 4.21Å; F230-F236 AromaticContact CE1-CZ 3.8Å; F230-F236 HydrophobicContact CE1-CZ 3.8Å; F230-F236 AromaticContact CG-CE2 3.93Å; F230-F236 HydrophobicContact CG-CE2 3.93Å; F230-F236 HydrophobicContact CG-CZ 4.11Å; F230-F236 HydrophobicContact CZ-CZ 4.45Å; F230-F238 HydrophobicContact CE1-CE1 4.13Å; F230-F238 HydrophobicContact CE1-CZ 4.34Å; F230-F238 HydrophobicContact CE2-CZ 4.12Å; F230-F238 AromaticContact CZ-CE1 3.84Å; F230-F238 HydrophobicContact CZ-CE1 3.84Å; F230-F238 AromaticContact CZ-CZ 3.82Å; F230-F238 HydrophobicContact CZ-CZ 3.82Å; F230-F252 HydrophobicContact CD1-CD2 4.38Å; F230-F252 AromaticContact CD1-CE2 3.81Å; F230-F252 HydrophobicContact CD1-CE2 3.81Å; F230-F252 HydrophobicContact CD1-CZ 4Å; F230-F252 HydrophobicContact CE1-CD1 4.41Å; F230-F252 HydrophobicContact CE1-CD2 4.3Å; F230-F252 HydrophobicContact CE1-CE1 4.04Å; F230-F252 AromaticContact CE1-CE2 3.9Å; F230-F252 HydrophobicContact CE1-CE2 3.9Å; F230-F252 AromaticContact CE1-CZ 3.76Å; F230-F252 HydrophobicContact CE1-CZ 3.76Å; F230-F300 HydrophobicContact CD1-CZ 4.07Å; F230-F300 AromaticContact CE1-CE2 3.93Å; F230-F300 HydrophobicContact CE1-CE2 3.93Å; F230-F300 AromaticContact CE1-CZ 3.5Å; F230-F300 HydrophobicContact CE1-CZ 3.5Å; F230-F300 AromaticContact CZ-CE2 3.82Å; F230-F300 HydrophobicContact CZ-CE2 3.82Å; F230-F300 AromaticContact CZ-CZ 3.85Å; F230-F300 HydrophobicContact CZ-CZ 3.85Å
231	T	81.1	Confident	80.3	Confident	14 Å²	14	47.9 Å²	47.9	9%	0.086	23%	0.227	C	C	.	.			trans	-87.8	118.5	163	-56.4	0	0	0	0	109.1	E254 P255 I257	T231-E254 PolarHBondContact N-OE2 3.23Å; T231-P255 HydrophobicContact CG2-CB 3.96Å; T231-P255 HydrophobicContact CG2-CG 4.14Å; T231-P255 WeakPolarHBondContact CG2-O 3.42Å; T231-P255 PolarHBondContact OG1-O 2.84Å; T231-I257 HydrophobicContact CG2-CG2 3.46Å; T231-I257 VanDerWaalsContact CG2-CG2 3.46Å
232	E	74.8	Confident	80.5	Confident	96 Å²	96	47.7 Å²	47.7	45%	0.449	23%	0.226	S	C	.	.			trans	-71	140.6	176.5	-62.2	176.9	177.8	0	0	111.6	I165	I165-E232 HydrophobicContact CG1-CG 4.49Å; I165-E232 HydrophobicContact CG2-CG 4.41Å
233	G	73.9	Confident	80.7	Confident	20 Å²	20	49.2 Å²	49.2	21%	0.206	24%	0.237	C	C	.	.	S	Bend	trans	170	155.6	177.2	0	0	0	0	0	112.6	E235 F236	G233-E235 PolarHBondContact O-N 2.81Å; G233-F236 VanDerWaalsContact O-CB 3.32Å; G233-F236 WeakPolarHBondContact O-CB 3.09Å; G233-F236 PolarHBondContact O-N 2.94Å; G233-F236 VanDerWaalsContact O-N 3.1Å
234	Y	73.3	Confident	81.2	Confident	137 Å²	137	50.1 Å²	50.1	54%	0.537	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.4	178.2	62.9	-92.3	0	0	0	113.2	F236	Y234-F236 VanDerWaalsContact C-N 3.25Å; Y234-F236 PolarHBondContact O-N 2.66Å
235	E	78.8	Confident	82	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.075	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.6	178.6	-59	163.3	159	0	0	112.6	G233 P255 V273	G233-E235 PolarHBondContact O-N 2.81Å; E235-P255 HydrophobicContact CB-CG 4.39Å; E235-V273 HydrophobicContact CB-CG1 4.49Å; E235-V273 HydrophobicContact CB-CG2 3.6Å; E235-V273 VanDerWaalsContact CD-CG2 3.5Å; E235-V273 HydrophobicContact CG-CG2 3.9Å; E235-V273 WeakPolarHBondContact OE2-CG2 3.48Å
236	F	87.8	Confident	83.3	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.013	24%	0.237	C	C	.	.			trans	-73.8	131.5	-179.8	-167.4	-72.4	0	0	0	111.1	L160 P166 F230 G233 Y234 F238 F252 Q253 E254	L160-F236 HydrophobicContact CD2-CB 4.26Å; L160-F236 HydrophobicContact CD2-CD1 3.83Å; L160-F236 HydrophobicContact CD2-CG 4.33Å; P166-F236 HydrophobicContact CB-CD1 3.66Å; P166-F236 HydrophobicContact CB-CD2 4.07Å; P166-F236 HydrophobicContact CB-CE1 3.39Å; P166-F236 HydrophobicContact CB-CE2 3.8Å; P166-F236 HydrophobicContact CB-CG 4Å; P166-F236 HydrophobicContact CB-CZ 3.45Å; P166-F236 VanDerWaalsContact CB-CZ 3.45Å; P166-F236 HydrophobicContact CG-CD1 4.21Å; P166-F236 HydrophobicContact CG-CD2 3.75Å; P166-F236 HydrophobicContact CG-CE1 4.17Å; P166-F236 HydrophobicContact CG-CE2 3.68Å; P166-F236 HydrophobicContact CG-CG 4.02Å; P166-F236 HydrophobicContact CG-CZ 3.89Å; F230-F236 HydrophobicContact CB-CE2 4.01Å; F230-F236 AromaticContact CD1-CE2 3.55Å; F230-F236 HydrophobicContact CD1-CE2 3.55Å; F230-F236 AromaticContact CD1-CZ 3.6Å; F230-F236 HydrophobicContact CD1-CZ 3.6Å; F230-F236 HydrophobicContact CE1-CE2 4.21Å; F230-F236 AromaticContact CE1-CZ 3.8Å; F230-F236 HydrophobicContact CE1-CZ 3.8Å; F230-F236 AromaticContact CG-CE2 3.93Å; F230-F236 HydrophobicContact CG-CE2 3.93Å; F230-F236 HydrophobicContact CG-CZ 4.11Å; F230-F236 HydrophobicContact CZ-CZ 4.45Å; G233-F236 VanDerWaalsContact O-CB 3.32Å; G233-F236 WeakPolarHBondContact O-CB 3.09Å; G233-F236 PolarHBondContact O-N 2.94Å; G233-F236 VanDerWaalsContact O-N 3.1Å; Y234-F236 VanDerWaalsContact C-N 3.25Å; Y234-F236 PolarHBondContact O-N 2.66Å; F236-F238 HydrophobicContact CD1-CD2 4.47Å; F236-F238 HydrophobicContact CD1-CE2 4.33Å; F236-F238 AromaticContact CE1-CD1 3.93Å; F236-F238 HydrophobicContact CE1-CD1 3.93Å; F236-F238 AromaticContact CE1-CD2 3.74Å; F236-F238 HydrophobicContact CE1-CD2 3.74Å; F236-F238 AromaticContact CE1-CE1 3.67Å; F236-F238 HydrophobicContact CE1-CE1 3.67Å; F236-F238 AromaticContact CE1-CE2 3.48Å; F236-F238 HydrophobicContact CE1-CE2 3.48Å; F236-F238 VanDerWaalsContact CE1-CE2 3.48Å; F236-F238 AromaticContact CE1-CG 3.96Å; F236-F238 HydrophobicContact CE1-CG 3.96Å; F236-F238 AromaticContact CE1-CZ 3.44Å; F236-F238 HydrophobicContact CE1-CZ 3.44Å; F236-F238 VanDerWaalsContact CE1-CZ 3.44Å; F236-F238 HydrophobicContact CZ-CD1 4.32Å; F236-F238 AromaticContact CZ-CE1 3.75Å; F236-F238 HydrophobicContact CZ-CE1 3.75Å; F236-F238 HydrophobicContact CZ-CE2 4.2Å; F236-F238 AromaticContact CZ-CZ 3.69Å; F236-F238 HydrophobicContact CZ-CZ 3.69Å; F236-F252 HydrophobicContact CE1-CB 4.2Å; F236-F252 HydrophobicContact CE1-CD2 4.31Å; F236-F252 AromaticContact CE2-CD2 3.51Å; F236-F252 HydrophobicContact CE2-CD2 3.51Å; F236-F252 AromaticContact CE2-CE2 3.89Å; F236-F252 HydrophobicContact CE2-CE2 3.89Å; F236-F252 HydrophobicContact CE2-CG 4.43Å; F236-F252 HydrophobicContact CZ-CB 4.02Å; F236-F252 AromaticContact CZ-CD2 3.38Å; F236-F252 HydrophobicContact CZ-CD2 3.38Å; F236-F252 HydrophobicContact CZ-CE2 4.05Å; F236-F252 AromaticContact CZ-CG 3.87Å; F236-F252 HydrophobicContact CZ-CG 3.87Å; F236-Q253 VanDerWaalsContact CA-O 3.29Å; F236-Q253 WeakPolarHBondContact CA-O 3.47Å; F236-Q253 VanDerWaalsContact CD2-O 3.28Å; F236-Q253 WeakPolarHBondContact CD2-O 3.39Å; F236-Q253 WeakPolarHBondContact CG-O 3.32Å; F236-E254 HydrophobicContact CD2-CB 3.61Å; F236-E254 HydrophobicContact CE2-CB 3.8Å
237	M	90	Very high	84.9	Confident	39 Å²	39	39.5 Å²	39.5	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.5	171.8	-72	-150.8	-52.1	0	0	112.9	Y239 F252 Q253 Q359	M237-Y239 HydrophobicContact CB-CE2 4Å; M237-Y239 HydrophobicContact CE-CE1 4.46Å; M237-Y239 HydrophobicContact CE-CE2 3.97Å; M237-Y239 WeakPolarHBondContact CE-OH 3.05Å; M237-F252 CarbonylContact O-C 3.59Å; M237-F252 WeakPolarHBondContact O-CA 3.39Å; M237-F252 VanDerWaalsContact O-CB 3.25Å; M237-F252 WeakPolarHBondContact O-CB 3.44Å; M237-Q253 PolarHBondContact N-O 2.93Å; M237-Q253 VanDerWaalsContact N-O 3.15Å; M237-Q253 PolarHBondContact O-N 3.36Å; M237-Q359 PolarHBondContact SD-NE2 2.62Å
238	F	93.2	Very high	86.7	Confident	9 Å²	9	35.8 Å²	35.8	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	144.1	165.8	-66	-73.2	0	0	0	110.8	I147 A158 Y159 P166 F230 F236 V250 F252	I147-F238 HydrophobicContact CD1-CB 3.58Å; I147-F238 WeakPolarHBondContact CD1-O 3.29Å; I147-F238 HydrophobicContact CG1-CB 4.12Å; A158-F238 HydrophobicContact CB-CD1 3.81Å; A158-F238 HydrophobicContact CB-CD2 3.99Å; A158-F238 HydrophobicContact CB-CE1 3.91Å; A158-F238 HydrophobicContact CB-CE2 4.07Å; A158-F238 HydrophobicContact CB-CG 3.86Å; A158-F238 HydrophobicContact CB-CZ 4.03Å; Y159-F238 WeakPolarHBondContact O-CE2 3.29Å; P166-F238 HydrophobicContact CB-CE2 3.86Å; P166-F238 HydrophobicContact CB-CZ 3.82Å; F230-F238 HydrophobicContact CE1-CE1 4.13Å; F230-F238 HydrophobicContact CE1-CZ 4.34Å; F230-F238 HydrophobicContact CE2-CZ 4.12Å; F230-F238 AromaticContact CZ-CE1 3.84Å; F230-F238 HydrophobicContact CZ-CE1 3.84Å; F230-F238 AromaticContact CZ-CZ 3.82Å; F230-F238 HydrophobicContact CZ-CZ 3.82Å; F236-F238 HydrophobicContact CD1-CD2 4.47Å; F236-F238 HydrophobicContact CD1-CE2 4.33Å; F236-F238 AromaticContact CE1-CD1 3.93Å; F236-F238 HydrophobicContact CE1-CD1 3.93Å; F236-F238 AromaticContact CE1-CD2 3.74Å; F236-F238 HydrophobicContact CE1-CD2 3.74Å; F236-F238 AromaticContact CE1-CE1 3.67Å; F236-F238 HydrophobicContact CE1-CE1 3.67Å; F236-F238 AromaticContact CE1-CE2 3.48Å; F236-F238 HydrophobicContact CE1-CE2 3.48Å; F236-F238 VanDerWaalsContact CE1-CE2 3.48Å; F236-F238 AromaticContact CE1-CG 3.96Å; F236-F238 HydrophobicContact CE1-CG 3.96Å; F236-F238 AromaticContact CE1-CZ 3.44Å; F236-F238 HydrophobicContact CE1-CZ 3.44Å; F236-F238 VanDerWaalsContact CE1-CZ 3.44Å; F236-F238 HydrophobicContact CZ-CD1 4.32Å; F236-F238 AromaticContact CZ-CE1 3.75Å; F236-F238 HydrophobicContact CZ-CE1 3.75Å; F236-F238 HydrophobicContact CZ-CE2 4.2Å; F236-F238 AromaticContact CZ-CZ 3.69Å; F236-F238 HydrophobicContact CZ-CZ 3.69Å; F238-V250 HydrophobicContact CD1-CG1 3.7Å; F238-V250 HydrophobicContact CE1-CG1 3.86Å; F238-F252 HydrophobicContact CD1-CB 3.75Å; F238-F252 HydrophobicContact CD1-CG 4.44Å; F238-F252 HydrophobicContact CE1-CB 4.22Å; F238-F252 HydrophobicContact CE1-CG 4.47Å; F238-F252 HydrophobicContact CG-CB 4.5Å
239	Y	93.4	Very high	88.2	Confident	41 Å²	41	35.3 Å²	35.3	16%	0.161	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-48	178.5	-78.4	-97.1	0	0	0	113.4	I147 M237 V251 Q253 L332	I147-Y239 VanDerWaalsContact CD1-C 3.43Å; I147-Y239 WeakPolarHBondContact CD1-O 3.39Å; M237-Y239 HydrophobicContact CB-CE2 4Å; M237-Y239 HydrophobicContact CE-CE1 4.46Å; M237-Y239 HydrophobicContact CE-CE2 3.97Å; M237-Y239 WeakPolarHBondContact CE-OH 3.05Å; Y239-V251 PolarHBondContact N-O 2.86Å; Y239-Q253 HydrophobicContact CD2-CG 4.44Å; Y239-Q253 HydrophobicContact CE2-CB 4.24Å; Y239-Q253 VanDerWaalsContact CE2-CD 3.42Å; Y239-Q253 HydrophobicContact CE2-CG 3.64Å; Y239-Q253 PolarHBondContact OH-NE2 3.31Å; Y239-Q253 PolarHBondContact OH-OE1 2.84Å; Y239-Q253 VanDerWaalsContact OH-OE1 3.11Å; Y239-L332 HydrophobicContact CD1-CD2 3.67Å; Y239-L332 HydrophobicContact CD1-CG 3.97Å; Y239-L332 HydrophobicContact CD2-CD2 4.01Å; Y239-L332 HydrophobicContact CE1-CB 4.17Å; Y239-L332 HydrophobicContact CE1-CD2 4.13Å; Y239-L332 HydrophobicContact CE1-CG 3.99Å; Y239-L332 VanDerWaalsContact CE1-O 3.3Å; Y239-L332 WeakPolarHBondContact CE1-O 3.32Å; Y239-L332 HydrophobicContact CE2-CB 4.44Å; Y239-L332 HydrophobicContact CE2-CD2 4.48Å; Y239-L332 HydrophobicContact CG-CD2 3.59Å; Y239-L332 HydrophobicContact CG-CG 4.35Å; Y239-L332 PolarHBondContact OH-O 3.4Å
240	K	95	Very high	89	Confident	86 Å²	86	35.2 Å²	35.2	37%	0.374	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	146.9	-174.6	-167.3	107.2	-177.3	178	0	110.9	L242 V251 L335	K240-L242 HydrophobicContact CG-CD2 3.79Å; K240-L242 HydrophobicContact CG-CG 4.47Å; K240-V251 PolarHBondContact N-O 3.33Å; K240-V251 PolarHBondContact O-N 3.35Å; K240-L335 HydrophobicContact CB-CD2 3.45Å; K240-L335 VanDerWaalsContact CB-CD2 3.45Å; K240-L335 HydrophobicContact CD-CD2 4.4Å; K240-L335 HydrophobicContact CG-CD2 3.99Å
241	I	96.3	Very high	89.6	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.9	163.3	-56.2	166.3	0	0	0	107.2	I147 E149 T156 A158 R248 Y249 V250	I147-I241 HydrophobicContact CG2-CD1 4.03Å; I147-I241 HydrophobicContact CG2-CG1 3.97Å; E149-I241 HydrophobicContact CB-CB 3.76Å; E149-I241 HydrophobicContact CB-CD1 4.32Å; E149-I241 HydrophobicContact CB-CG2 3.67Å; E149-I241 HydrophobicContact CG-CB 4.42Å; E149-I241 HydrophobicContact CG-CG2 4.06Å; T156-I241 HydrophobicContact CG2-CD1 3.95Å; T156-I241 HydrophobicContact CG2-CG2 4.26Å; A158-I241 HydrophobicContact CB-CD1 4Å; I241-R248 HydrophobicContact CG2-CB 4.32Å; I241-Y249 CarbonylContact C-O 3.52Å; I241-Y249 VanDerWaalsContact CA-O 3.27Å; I241-Y249 WeakPolarHBondContact CA-O 3.45Å; I241-V250 HydrophobicContact CG1-CG1 4.42Å; I241-V250 HydrophobicContact CG1-CG2 4.35Å
242	L	95.2	Very high	90.3	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.2	175.9	-53.4	173.3	0	0	0	109.1	K240 R248 Y249 T337 L347 I349	K240-L242 HydrophobicContact CG-CD2 3.79Å; K240-L242 HydrophobicContact CG-CG 4.47Å; L242-R248 WeakPolarHBondContact O-CA 3.38Å; L242-Y249 HydrophobicContact CB-CD2 4.49Å; L242-Y249 PolarHBondContact N-O 3.24Å; L242-Y249 PolarHBondContact O-N 2.94Å; L242-T337 HydrophobicContact CD1-CG2 4.16Å; L242-T337 HydrophobicContact CD2-CG2 3.69Å; L242-L347 HydrophobicContact CD1-CD2 4.11Å; L242-I349 HydrophobicContact CD1-CD1 3.86Å; L242-I349 HydrophobicContact CD1-CG1 4.08Å
243	S	93.1	Very high	91.2	Very high	33 Å²	33	28.9 Å²	28.9	23%	0.231	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.7	179.3	-64.7	0	0	0	0	111.9	E149 S151	E149-S243 VanDerWaalsContact CD-OG 3.27Å; E149-S243 WeakPolarHBondContact CG-OG 3.36Å; E149-S243 WeakPolarHBondContact OE1-CB 3.42Å; E149-S243 PolarHBondContact OE1-OG 3.2Å; S151-S243 VanDerWaalsContact OG-CB 3.28Å; S151-S243 WeakPolarHBondContact OG-CB 3.09Å; S151-S243 PolarHBondContact OG-OG 2.85Å
244	L	90.6	Very high	91.9	Very high	34 Å²	34	28 Å²	28	18%	0.178	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162.1	161.1	-76.6	-170.4	0	0	0	109.2	G246 K247 R248 Y249 Y339 L385	L244-G246 PolarHBondContact O-N 2.94Å; L244-G246 VanDerWaalsContact O-N 3.14Å; L244-K247 HydrophobicContact CB-CB 4.4Å; L244-K247 PolarHBondContact N-O 3.13Å; L244-K247 PolarHBondContact O-N 3.32Å; L244-R248 PolarHBondContact O-NH1 3.33Å; L244-Y249 HydrophobicContact CB-CE2 4.29Å; L244-Y249 HydrophobicContact CD1-CE2 3.91Å; L244-Y249 HydrophobicContact CG-CE2 4.15Å; L244-Y339 VanDerWaalsContact CD2-OH 3.3Å; L244-Y339 WeakPolarHBondContact CD2-OH 3.26Å; L244-L385 HydrophobicContact CD1-CD2 3.43Å; L244-L385 VanDerWaalsContact CD1-CD2 3.43Å; L244-L385 HydrophobicContact CD1-CG 4.34Å; L244-L385 HydrophobicContact CG-CD2 3.93Å
245	P	89.3	Confident	92.6	Very high	111 Å²	111	21.6 Å²	21.6	72%	0.721	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	123.5	175.4	-26.8	35.3	0	0	0	111.7	K247	P245-K247 PolarHBondContact O-N 3.17Å; P245-K247 VanDerWaalsContact O-N 3.14Å
246	G	92.1	Very high	93	Very high	29 Å²	29	20.8 Å²	20.8	30%	0.299	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-4	178.2	0	0	0	0	0	116.2	L244 C281 T282	L244-G246 PolarHBondContact O-N 2.94Å; L244-G246 VanDerWaalsContact O-N 3.14Å; G246-C281 WeakPolarHBondContact O-CA 3.46Å; G246-T282 VanDerWaalsContact CA-OG1 3.3Å; G246-T282 WeakPolarHBondContact CA-OG1 3.33Å; G246-T282 PolarHBondContact O-N 3.44Å; G246-T282 PolarHBondContact O-OG1 3.18Å
247	K	94.3	Very high	92.5	Very high	38 Å²	38	21.6 Å²	21.6	17%	0.165	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.8	-171	-63.8	178.7	178.4	-173.3	0	111.7	L244 P245 Y249 I280 D389 C459	L244-K247 HydrophobicContact CB-CB 4.4Å; L244-K247 PolarHBondContact N-O 3.13Å; L244-K247 PolarHBondContact O-N 3.32Å; P245-K247 PolarHBondContact O-N 3.17Å; P245-K247 VanDerWaalsContact O-N 3.14Å; K247-Y249 HydrophobicContact CB-CE2 4.02Å; K247-Y249 WeakPolarHBondContact CD-OH 3.5Å; K247-I280 WeakPolarHBondContact CA-O 3.22Å; K247-D389 IonicContact NZ-OD1 3.38Å; K247-D389 PolarHBondContact NZ-OD1 3.07Å; K247-D389 IonicContact NZ-OD2 3.6Å; K247-D389 PolarHBondContact NZ-OD2 3.28Å; K247-C459 HydrophobicContact CG-CB 4.46Å
248	R	96.2	Very high	92	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141	166.5	-53.1	-75.2	174.9	-90	2.5	109	S151 D152 I241 L242 L244 R279 I280 T282	S151-R248 PolarHBondContact O-NH2 2.88Å; S151-R248 PolarHBondContact OG-NE 3.26Å; S151-R248 VanDerWaalsContact OG-NE 3.1Å; S151-R248 PolarHBondContact OG-NH2 3.44Å; D152-R248 IonicContact OD2-CZ 2.65Å; D152-R248 IonicContact OD2-NH1 3.14Å; D152-R248 PolarHBondContact OD2-NH1 3.4Å; D152-R248 IonicContact OD2-NH2 2.87Å; D152-R248 PolarHBondContact OD2-NH2 3.33Å; I241-R248 HydrophobicContact CG2-CB 4.32Å; L242-R248 WeakPolarHBondContact O-CA 3.38Å; L244-R248 PolarHBondContact O-NH1 3.33Å; R248-R279 CarbonylContact O-C 3.36Å; R248-R279 WeakPolarHBondContact O-CA 3.17Å; R248-I280 HydrophobicContact CB-CD1 3.97Å; R248-I280 HydrophobicContact CB-CG1 3.64Å; R248-I280 HydrophobicContact CG-CD1 4.37Å; R248-I280 HydrophobicContact CG-CG1 4.34Å; R248-I280 PolarHBondContact N-O 2.78Å; R248-I280 PolarHBondContact O-N 2.66Å; R248-T282 HydrophobicContact CG-CG2 4.08Å
249	Y	97.6	Very high	91.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.8	175.2	-54.7	-97.4	0	0	0	109.8	I241 L242 L244 K247 I277 A278 R279 L385 V388 D389	I241-Y249 CarbonylContact C-O 3.52Å; I241-Y249 VanDerWaalsContact CA-O 3.27Å; I241-Y249 WeakPolarHBondContact CA-O 3.45Å; L242-Y249 HydrophobicContact CB-CD2 4.49Å; L242-Y249 PolarHBondContact N-O 3.24Å; L242-Y249 PolarHBondContact O-N 2.94Å; L244-Y249 HydrophobicContact CB-CE2 4.29Å; L244-Y249 HydrophobicContact CD1-CE2 3.91Å; L244-Y249 HydrophobicContact CG-CE2 4.15Å; K247-Y249 HydrophobicContact CB-CE2 4.02Å; K247-Y249 WeakPolarHBondContact CD-OH 3.5Å; Y249-I277 HydrophobicContact CD1-CD1 4.42Å; Y249-A278 CarbonylContact C-O 3.56Å; Y249-A278 WeakPolarHBondContact CA-O 3.43Å; Y249-R279 HydrophobicContact CD1-CB 3.96Å; Y249-R279 HydrophobicContact CD1-CG 4.08Å; Y249-R279 HydrophobicContact CE1-CB 3.98Å; Y249-R279 HydrophobicContact CE1-CG 3.74Å; Y249-L385 HydrophobicContact CD1-CD1 3.75Å; Y249-L385 HydrophobicContact CD2-CD1 3.96Å; Y249-L385 HydrophobicContact CD2-CD2 4.09Å; Y249-L385 HydrophobicContact CE1-CD1 3.73Å; Y249-L385 HydrophobicContact CE1-CG 4.39Å; Y249-L385 HydrophobicContact CE2-CD1 3.96Å; Y249-L385 HydrophobicContact CE2-CD2 3.79Å; Y249-L385 HydrophobicContact CE2-CG 4.12Å; Y249-L385 HydrophobicContact CG-CD1 3.85Å; Y249-V388 HydrophobicContact CD1-CG1 4.31Å; Y249-V388 HydrophobicContact CE1-CG1 4.32Å; Y249-D389 PolarHBondContact OH-OD1 3.41Å; Y249-D389 PolarHBondContact OH-OD2 2.83Å
250	V	97.4	Very high	89.6	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.6	-179.1	-171.3	0	0	0	0	108	L168 F238 I241 F252 I277 A278	L168-V250 HydrophobicContact CD1-CG2 3.98Å; L168-V250 HydrophobicContact CD2-CG2 4.08Å; F238-V250 HydrophobicContact CD1-CG1 3.7Å; F238-V250 HydrophobicContact CE1-CG1 3.86Å; I241-V250 HydrophobicContact CG1-CG1 4.42Å; I241-V250 HydrophobicContact CG1-CG2 4.35Å; V250-F252 HydrophobicContact CB-CD1 4.43Å; V250-F252 HydrophobicContact CG1-CD1 4.09Å; V250-F252 WeakPolarHBondContact O-CD1 3.5Å; V250-I277 CarbonylContact O-C 3.59Å; V250-I277 WeakPolarHBondContact O-CA 3.42Å; V250-A278 PolarHBondContact N-O 2.86Å; V250-A278 PolarHBondContact O-N 2.76Å
251	V	97.8	Very high	87.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.3	174.4	-176.4	0	0	0	0	108.7	Y239 K240 T275 R276 I277 L305 L332 L335	Y239-V251 PolarHBondContact N-O 2.86Å; K240-V251 PolarHBondContact N-O 3.33Å; K240-V251 PolarHBondContact O-N 3.35Å; V251-T275 HydrophobicContact CG1-CG2 4.22Å; V251-R276 WeakPolarHBondContact CA-O 3.41Å; V251-I277 HydrophobicContact CG2-CD1 4.04Å; V251-I277 HydrophobicContact CG2-CG1 4.15Å; V251-L305 HydrophobicContact CG1-CD1 4.28Å; V251-L332 HydrophobicContact CG1-CD2 3.63Å; V251-L335 HydrophobicContact CB-CD2 4.33Å; V251-L335 HydrophobicContact CG1-CD2 4.45Å; V251-L335 HydrophobicContact CG2-CD2 4.21Å
252	F	95.8	Very high	85.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	170	-175.7	61.4	-83	0	0	0	111.5	F230 F236 M237 F238 V250 E254 T275 R276 A278 F300 K302	F230-F252 HydrophobicContact CD1-CD2 4.38Å; F230-F252 AromaticContact CD1-CE2 3.81Å; F230-F252 HydrophobicContact CD1-CE2 3.81Å; F230-F252 HydrophobicContact CD1-CZ 4Å; F230-F252 HydrophobicContact CE1-CD1 4.41Å; F230-F252 HydrophobicContact CE1-CD2 4.3Å; F230-F252 HydrophobicContact CE1-CE1 4.04Å; F230-F252 AromaticContact CE1-CE2 3.9Å; F230-F252 HydrophobicContact CE1-CE2 3.9Å; F230-F252 AromaticContact CE1-CZ 3.76Å; F230-F252 HydrophobicContact CE1-CZ 3.76Å; F236-F252 HydrophobicContact CE1-CB 4.2Å; F236-F252 HydrophobicContact CE1-CD2 4.31Å; F236-F252 AromaticContact CE2-CD2 3.51Å; F236-F252 HydrophobicContact CE2-CD2 3.51Å; F236-F252 AromaticContact CE2-CE2 3.89Å; F236-F252 HydrophobicContact CE2-CE2 3.89Å; F236-F252 HydrophobicContact CE2-CG 4.43Å; F236-F252 HydrophobicContact CZ-CB 4.02Å; F236-F252 AromaticContact CZ-CD2 3.38Å; F236-F252 HydrophobicContact CZ-CD2 3.38Å; F236-F252 HydrophobicContact CZ-CE2 4.05Å; F236-F252 AromaticContact CZ-CG 3.87Å; F236-F252 HydrophobicContact CZ-CG 3.87Å; M237-F252 CarbonylContact O-C 3.59Å; M237-F252 WeakPolarHBondContact O-CA 3.39Å; M237-F252 VanDerWaalsContact O-CB 3.25Å; M237-F252 WeakPolarHBondContact O-CB 3.44Å; F238-F252 HydrophobicContact CD1-CB 3.75Å; F238-F252 HydrophobicContact CD1-CG 4.44Å; F238-F252 HydrophobicContact CE1-CB 4.22Å; F238-F252 HydrophobicContact CE1-CG 4.47Å; F238-F252 HydrophobicContact CG-CB 4.5Å; V250-F252 HydrophobicContact CB-CD1 4.43Å; V250-F252 HydrophobicContact CG1-CD1 4.09Å; V250-F252 WeakPolarHBondContact O-CD1 3.5Å; F252-E254 HydrophobicContact CD2-CB 4.29Å; F252-E254 HydrophobicContact CE2-CB 4.22Å; F252-E254 HydrophobicContact CE2-CG 4.06Å; F252-T275 CarbonylContact O-C 3.29Å; F252-T275 WeakPolarHBondContact O-CA 3.37Å; F252-R276 HydrophobicContact CD1-CB 4.38Å; F252-R276 HydrophobicContact CD2-CB 4.18Å; F252-R276 HydrophobicContact CE1-CB 3.96Å; F252-R276 HydrophobicContact CE2-CB 3.76Å; F252-R276 HydrophobicContact CE2-CG 3.97Å; F252-R276 HydrophobicContact CG-CB 4.48Å; F252-R276 HydrophobicContact CZ-CB 3.63Å; F252-R276 HydrophobicContact CZ-CG 4.2Å; F252-R276 PolarHBondContact N-O 2.93Å; F252-R276 PolarHBondContact O-N 2.04Å; F252-A278 HydrophobicContact CE1-CB 3.67Å; F252-A278 HydrophobicContact CZ-CB 4.33Å; F252-F300 HydrophobicContact CZ-CZ 4.41Å; F252-K302 HydrophobicContact CE2-CD 4.47Å; F252-K302 HydrophobicContact CZ-CB 4.22Å; F252-K302 HydrophobicContact CZ-CD 3.93Å
253	Q	93.3	Very high	83.1	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.8	170	-76.4	173.1	-2.2	0	0	109.7	F236 M237 Y239 V273 Y274 L332	F236-Q253 VanDerWaalsContact CA-O 3.29Å; F236-Q253 WeakPolarHBondContact CA-O 3.47Å; F236-Q253 VanDerWaalsContact CD2-O 3.28Å; F236-Q253 WeakPolarHBondContact CD2-O 3.39Å; F236-Q253 WeakPolarHBondContact CG-O 3.32Å; M237-Q253 PolarHBondContact N-O 2.93Å; M237-Q253 VanDerWaalsContact N-O 3.15Å; M237-Q253 PolarHBondContact O-N 3.36Å; Y239-Q253 HydrophobicContact CD2-CG 4.44Å; Y239-Q253 HydrophobicContact CE2-CB 4.24Å; Y239-Q253 VanDerWaalsContact CE2-CD 3.42Å; Y239-Q253 HydrophobicContact CE2-CG 3.64Å; Y239-Q253 PolarHBondContact OH-NE2 3.31Å; Y239-Q253 PolarHBondContact OH-OE1 2.84Å; Y239-Q253 VanDerWaalsContact OH-OE1 3.11Å; Q253-V273 HydrophobicContact CB-CG1 3.96Å; Q253-V273 HydrophobicContact CG-CG1 4.47Å; Q253-Y274 WeakPolarHBondContact CA-O 3.29Å; Q253-L332 PolarHBondContact NE2-O 3.1Å
254	E	90.4	Very high	80.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.2	173.1	69.7	178.4	172.8	0	0	111.4	T231 F236 F252 A256 Y274 R276 K302	T231-E254 PolarHBondContact N-OE2 3.23Å; F236-E254 HydrophobicContact CD2-CB 3.61Å; F236-E254 HydrophobicContact CE2-CB 3.8Å; F252-E254 HydrophobicContact CD2-CB 4.29Å; F252-E254 HydrophobicContact CE2-CB 4.22Å; F252-E254 HydrophobicContact CE2-CG 4.06Å; E254-A256 PolarHBondContact O-N 2.78Å; E254-Y274 PolarHBondContact N-O 3.42Å; E254-Y274 VanDerWaalsContact N-O 3.1Å; E254-Y274 PolarHBondContact O-N 3.14Å; E254-R276 HydrophobicContact CG-CG 3.91Å; E254-R276 IonicContact OE1-CZ 3.23Å; E254-R276 IonicContact OE1-NE 2.84Å; E254-R276 PolarHBondContact OE1-NE 2.89Å; E254-R276 IonicContact OE1-NH2 3.63Å; E254-K302 WeakPolarHBondContact OE1-CD 3.41Å; E254-K302 WeakPolarHBondContact OE1-CE 3.29Å; E254-K302 IonicContact OE1-NZ 3.2Å; E254-K302 PolarHBondContact OE1-NZ 3.19Å; E254-K302 IonicContact OE2-NZ 3.97Å; E254-K302 PolarHBondContact OE2-NZ 2.98Å
255	P	87.3	Confident	78.7	Confident	3 Å²	3	43 Å²	43	2%	0.019	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	133.2	170.9	-17.7	29.1	0	0	0	111.7	T231 E235 I257	T231-P255 HydrophobicContact CG2-CB 3.96Å; T231-P255 HydrophobicContact CG2-CG 4.14Å; T231-P255 WeakPolarHBondContact CG2-O 3.42Å; T231-P255 PolarHBondContact OG1-O 2.84Å; E235-P255 HydrophobicContact CB-CG 4.39Å; P255-I257 PolarHBondContact O-N 2.95Å; P255-I257 VanDerWaalsContact O-N 3.11Å
256	A	87.1	Confident	76.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.			trans	-82.3	84	-179.2	0	0	0	0	0	111.2	E254 E258 T259 I272 Y274	E254-A256 PolarHBondContact O-N 2.78Å; A256-E258 WeakPolarHBondContact CA-OE2 3.38Å; A256-E258 PolarHBondContact O-N 2.8Å; A256-T259 HydrophobicContact CB-CG2 4.18Å; A256-T259 PolarHBondContact O-N 2.9Å; A256-T259 VanDerWaalsContact O-N 3.11Å; A256-T259 PolarHBondContact O-OG1 2.7Å; A256-I272 HydrophobicContact CB-CB 4.4Å; A256-I272 HydrophobicContact CB-CG2 4.39Å; A256-I272 VanDerWaalsContact CB-O 3.3Å; A256-I272 WeakPolarHBondContact CB-O 3.24Å; A256-I272 PolarHBondContact N-O 2.81Å; A256-Y274 HydrophobicContact CB-CD2 3.27Å; A256-Y274 HydrophobicContact CB-CE2 3.43Å; A256-Y274 VanDerWaalsContact CB-CE2 3.43Å; A256-Y274 HydrophobicContact CB-CG 3.89Å
257	I	77.8	Confident	74.4	Confident	19 Å²	19	51.3 Å²	51.3	10%	0.097	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	178.5	51.2	170.1	0	0	0	113.2	T231 P255 T259 Q260 F442	T231-I257 HydrophobicContact CG2-CG2 3.46Å; T231-I257 VanDerWaalsContact CG2-CG2 3.46Å; P255-I257 PolarHBondContact O-N 2.95Å; P255-I257 VanDerWaalsContact O-N 3.11Å; I257-T259 PolarHBondContact O-N 3.11Å; I257-Q260 PolarHBondContact O-N 3.5Å; I257-F442 HydrophobicContact CB-CZ 4.04Å; I257-F442 HydrophobicContact CD1-CE1 3.97Å; I257-F442 HydrophobicContact CD1-CZ 3.72Å; I257-F442 HydrophobicContact CG1-CE1 4.28Å; I257-F442 HydrophobicContact CG1-CZ 3.7Å; I257-F442 WeakPolarHBondContact O-CE2 3.46Å
258	E	78.9	Confident	72.1	Confident	43 Å²	43	54 Å²	54	20%	0.201	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.1	177.5	74.1	-88.7	-152.8	0	0	114.1	A256 Y274 R276 M398 F442	A256-E258 WeakPolarHBondContact CA-OE2 3.38Å; A256-E258 PolarHBondContact O-N 2.8Å; E258-Y274 WeakPolarHBondContact OE1-CD2 3.25Å; E258-R276 IonicContact OE1-CZ 2.97Å; E258-R276 VanDerWaalsContact OE1-CZ 3.27Å; E258-R276 IonicContact OE1-NH1 2.86Å; E258-R276 PolarHBondContact OE1-NH1 2.77Å; E258-R276 IonicContact OE1-NH2 3.97Å; E258-R276 PolarHBondContact OE1-NH2 2.93Å; E258-R276 IonicContact OE2-NH2 3.9Å; E258-R276 PolarHBondContact OE2-NH2 3.06Å; E258-M398 HydrophobicContact CB-CE 3.47Å; E258-M398 VanDerWaalsContact CB-CE 3.47Å; E258-M398 HydrophobicContact CB-SD 4.29Å; E258-M398 HydrophobicContact CG-CE 3.96Å; E258-F442 VanDerWaalsContact CA-CE2 3.45Å; E258-F442 HydrophobicContact CB-CD2 4.28Å; E258-F442 HydrophobicContact CB-CE2 4.1Å; E258-F442 HydrophobicContact CB-CZ 4.37Å
259	T	76.1	Confident	69.9	Low	18 Å²	18	62.1 Å²	62.1	11%	0.11	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-24.7	176.1	63.4	0	0	0	0	113	A256 I257 L261 R262 I272 Y274	A256-T259 HydrophobicContact CB-CG2 4.18Å; A256-T259 PolarHBondContact O-N 2.9Å; A256-T259 VanDerWaalsContact O-N 3.11Å; A256-T259 PolarHBondContact O-OG1 2.7Å; I257-T259 PolarHBondContact O-N 3.11Å; T259-L261 PolarHBondContact O-N 3.46Å; T259-R262 WeakPolarHBondContact O-CB 3.27Å; T259-R262 PolarHBondContact O-N 2.82Å; T259-I272 HydrophobicContact CG2-CD1 4.41Å; T259-Y274 HydrophobicContact CG2-CE2 3.84Å; T259-Y274 VanDerWaalsContact CG2-OH 3.29Å; T259-Y274 WeakPolarHBondContact CG2-OH 3.04Å
260	Q	59.3	Low	67.9	Low	68 Å²	68	70.4 Å²	70.4	32%	0.318	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.9	-174	-71.6	174.6	5.5	0	0	114	I257	I257-Q260 PolarHBondContact O-N 3.5Å
261	L	53	Low	66.5	Low	87 Å²	87	75.3 Å²	75.3	46%	0.455	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.6	177.8	-69.6	168.9	0	0	0	114.2	T259 N440	T259-L261 PolarHBondContact O-N 3.46Å; L261-N440 WeakPolarHBondContact CD1-O 3.45Å
262	R	49.7	Very low	65.8	Low	213 Å²	213	77.8 Å²	77.8	80%	0.804	37%	0.371	S	S	*	.	S	Bend	trans	-87.6	-13.7	171.7	-72.9	-175.1	161.7	-163.8	-4.8	112.8	T259	T259-R262 WeakPolarHBondContact O-CB 3.27Å; T259-R262 PolarHBondContact O-N 2.82Å
263	E	49	Very low	65.4	Low	69 Å²	69	77.8 Å²	77.8	32%	0.322	37%	0.371	S	S	.	.	S	Bend	trans	-88.2	141.9	-174.2	-72.1	174.4	-165.7	0	0	111.9	I272	E263-I272 WeakPolarHBondContact OE1-CD1 3.33Å
264	N	41.9	Very low	65.5	Low	83 Å²	83	78.8 Å²	78.8	44%	0.444	38%	0.375	S	S	.	.			trans	-62.3	124.7	177.1	-178.5	-0.3	0	0	0	109.5	W266 T267	N264-W266 PolarHBondContact O-N 3.08Å; N264-W266 WeakPolarHBondContact OD1-CB 3.49Å; N264-W266 PolarHBondContact OD1-N 3.36Å; N264-T267 PolarHBondContact O-N 3.35Å; N264-T267 PolarHBondContact O-OG1 3.03Å; N264-T267 VanDerWaalsContact O-OG1 3.11Å
265	P	49	Very low	65.8	Low	121 Å²	121	78.9 Å²	78.9	79%	0.786	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24	174.7	-23.7	31.8	0	0	0	113.8
266	W	45.1	Very low	66.2	Low	227 Å²	227	78.9 Å²	78.9	86%	0.86	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.2	180	-50.5	115.9	0	0	0	114	N264	N264-W266 PolarHBondContact O-N 3.08Å; N264-W266 WeakPolarHBondContact OD1-CB 3.49Å; N264-W266 PolarHBondContact OD1-N 3.36Å
267	T	45.4	Very low	66.7	Low	86 Å²	86	78.9 Å²	78.9	53%	0.528	38%	0.375	S	S	.	.			trans	-100.2	79.1	167	57	0	0	0	0	108.5	N264 E269	N264-T267 PolarHBondContact O-N 3.35Å; N264-T267 PolarHBondContact O-OG1 3.03Å; N264-T267 VanDerWaalsContact O-OG1 3.11Å; T267-E269 PolarHBondContact O-N 3.03Å
268	S	46.1	Very low	67.7	Low	94 Å²	94	78 Å²	78	66%	0.657	37%	0.37	S	S	*	.			trans	-56.3	118.2	151.4	44.1	0	0	0	0	106.7
269	E	50.7	Low	68.5	Low	172 Å²	172	75.9 Å²	75.9	80%	0.804	36%	0.36	S	S	*	.	S	Bend		174.8	-12.1	128.7	-94.7	166.5	-160	0	0	118.7	T267	T267-E269 PolarHBondContact O-N 3.03Å
270	R	54.8	Low	69.4	Low	173 Å²	173	75 Å²	75	65%	0.653	36%	0.355	S	S	*	.			trans	-137.1	93.1	-179.5	-65.3	-172.9	-168.4	-105.4	-3.2	114.2	I272	R270-I272 PolarHBondContact O-N 3.2Å; R270-I272 VanDerWaalsContact O-N 3.13Å
271	K	68.6	Low	71	Confident	105 Å²	105	71.8 Å²	71.8	46%	0.457	34%	0.34	S	S	.	.			trans	-51.4	120.3	158.2	-70.2	178.6	-178.3	175.1	0	108.4
272	I	82.3	Confident	72.9	Confident	51 Å²	51	68 Å²	68	26%	0.262	32%	0.32	S	S	.	.			trans	-71.2	131.9	173.6	-60.8	172.3	0	0	0	108	A256 T259 E263 R270 Y274	A256-I272 HydrophobicContact CB-CB 4.4Å; A256-I272 HydrophobicContact CB-CG2 4.39Å; A256-I272 VanDerWaalsContact CB-O 3.3Å; A256-I272 WeakPolarHBondContact CB-O 3.24Å; A256-I272 PolarHBondContact N-O 2.81Å; T259-I272 HydrophobicContact CG2-CD1 4.41Å; E263-I272 WeakPolarHBondContact OE1-CD1 3.33Å; R270-I272 PolarHBondContact O-N 3.2Å; R270-I272 VanDerWaalsContact O-N 3.13Å; I272-Y274 HydrophobicContact CG2-CD1 3.85Å; I272-Y274 HydrophobicContact CG2-CE1 3.38Å
273	V	88.8	Confident	74.9	Confident	1 Å²	1	63 Å²	63	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.4	174.4	179.9	0	0	0	0	107.7	E235 Q253 N330 Y331	E235-V273 HydrophobicContact CB-CG1 4.49Å; E235-V273 HydrophobicContact CB-CG2 3.6Å; E235-V273 VanDerWaalsContact CD-CG2 3.5Å; E235-V273 HydrophobicContact CG-CG2 3.9Å; E235-V273 WeakPolarHBondContact OE2-CG2 3.48Å; Q253-V273 HydrophobicContact CB-CG1 3.96Å; Q253-V273 HydrophobicContact CG-CG1 4.47Å; V273-N330 VanDerWaalsContact O-CB 3.25Å; V273-N330 WeakPolarHBondContact O-CB 3.08Å; V273-Y331 HydrophobicContact CB-CD1 4.39Å; V273-Y331 HydrophobicContact CB-CE1 3.65Å; V273-Y331 HydrophobicContact CG1-CD1 4.47Å; V273-Y331 HydrophobicContact CG1-CE1 4.13Å; V273-Y331 HydrophobicContact CG2-CE1 4.01Å
274	Y	93.9	Very high	76.9	Confident	22 Å²	22	60 Å²	60	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.3	174.5	-71.8	-30.9	0	0	0	111.5	Q253 E254 A256 E258 T259 I272 R304 N330	Q253-Y274 WeakPolarHBondContact CA-O 3.29Å; E254-Y274 PolarHBondContact N-O 3.42Å; E254-Y274 VanDerWaalsContact N-O 3.1Å; E254-Y274 PolarHBondContact O-N 3.14Å; A256-Y274 HydrophobicContact CB-CD2 3.27Å; A256-Y274 HydrophobicContact CB-CE2 3.43Å; A256-Y274 VanDerWaalsContact CB-CE2 3.43Å; A256-Y274 HydrophobicContact CB-CG 3.89Å; E258-Y274 WeakPolarHBondContact OE1-CD2 3.25Å; T259-Y274 HydrophobicContact CG2-CE2 3.84Å; T259-Y274 VanDerWaalsContact CG2-OH 3.29Å; T259-Y274 WeakPolarHBondContact CG2-OH 3.04Å; I272-Y274 HydrophobicContact CG2-CD1 3.85Å; I272-Y274 HydrophobicContact CG2-CE1 3.38Å; Y274-R304 HydrophobicContact CD2-CG 4.38Å; Y274-R304 HydrophobicContact CG-CG 4.21Å; Y274-N330 HydrophobicContact CD1-CB 4.23Å
275	T	97	Very high	79.2	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.4	162.3	-56.8	0	0	0	0	109.2	V251 F252 L305 N330 L332 F353	V251-T275 HydrophobicContact CG1-CG2 4.22Å; F252-T275 CarbonylContact O-C 3.29Å; F252-T275 WeakPolarHBondContact O-CA 3.37Å; T275-L305 HydrophobicContact CG2-CB 4.4Å; T275-L305 HydrophobicContact CG2-CD1 4.08Å; T275-L305 PolarHBondContact O-N 3.49Å; T275-N330 PolarHBondContact N-O 3.13Å; T275-N330 PolarHBondContact OG1-O 3.26Å; T275-L332 HydrophobicContact CG2-CB 3.81Å; T275-L332 HydrophobicContact CG2-CD2 3.98Å; T275-L332 HydrophobicContact CG2-CG 4.46Å; T275-L332 WeakPolarHBondContact OG1-CB 3.24Å; T275-L332 PolarHBondContact OG1-N 3.33Å; T275-L332 VanDerWaalsContact OG1-N 3.13Å; T275-F353 HydrophobicContact CG2-CE1 3.95Å
276	R	96.5	Very high	81.1	Confident	3 Å²	3	56 Å²	56	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	155.7	-179.7	-58.1	-64.4	-164.2	-172.9	-8	111	V251 F252 E254 E258 T303	V251-R276 WeakPolarHBondContact CA-O 3.41Å; F252-R276 HydrophobicContact CD1-CB 4.38Å; F252-R276 HydrophobicContact CD2-CB 4.18Å; F252-R276 HydrophobicContact CE1-CB 3.96Å; F252-R276 HydrophobicContact CE2-CB 3.76Å; F252-R276 HydrophobicContact CE2-CG 3.97Å; F252-R276 HydrophobicContact CG-CB 4.48Å; F252-R276 HydrophobicContact CZ-CB 3.63Å; F252-R276 HydrophobicContact CZ-CG 4.2Å; F252-R276 PolarHBondContact N-O 2.93Å; F252-R276 PolarHBondContact O-N 2.04Å; E254-R276 HydrophobicContact CG-CG 3.91Å; E254-R276 IonicContact OE1-CZ 3.23Å; E254-R276 IonicContact OE1-NE 2.84Å; E254-R276 PolarHBondContact OE1-NE 2.89Å; E254-R276 IonicContact OE1-NH2 3.63Å; E258-R276 IonicContact OE1-CZ 2.97Å; E258-R276 VanDerWaalsContact OE1-CZ 3.27Å; E258-R276 IonicContact OE1-NH1 2.86Å; E258-R276 PolarHBondContact OE1-NH1 2.77Å; E258-R276 IonicContact OE1-NH2 3.97Å; E258-R276 PolarHBondContact OE1-NH2 2.93Å; E258-R276 IonicContact OE2-NH2 3.9Å; E258-R276 PolarHBondContact OE2-NH2 3.06Å; R276-T303 VanDerWaalsContact CA-O 3.23Å; R276-T303 WeakPolarHBondContact CA-O 3.43Å; R276-T303 WeakPolarHBondContact CD-O 3.37Å
277	I	97.9	Very high	83.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.4	161.3	-171.8	161.4	0	0	0	108.3	Y249 V250 V251 K302 T303 L305 I349 L385 V388 V480	Y249-I277 HydrophobicContact CD1-CD1 4.42Å; V250-I277 CarbonylContact O-C 3.59Å; V250-I277 WeakPolarHBondContact O-CA 3.42Å; V251-I277 HydrophobicContact CG2-CD1 4.04Å; V251-I277 HydrophobicContact CG2-CG1 4.15Å; I277-K302 WeakPolarHBondContact O-CA 3.17Å; I277-T303 HydrophobicContact CG2-CG2 3.82Å; I277-T303 PolarHBondContact N-O 3.43Å; I277-T303 PolarHBondContact O-N 3Å; I277-L305 HydrophobicContact CB-CD1 4.11Å; I277-L305 HydrophobicContact CB-CG 4.18Å; I277-L305 HydrophobicContact CG2-CD1 4.43Å; I277-L305 HydrophobicContact CG2-CD2 4Å; I277-L305 HydrophobicContact CG2-CG 3.97Å; I277-I349 HydrophobicContact CD1-CD1 3.82Å; I277-L385 HydrophobicContact CD1-CD1 4.44Å; I277-V388 HydrophobicContact CD1-CG1 4.03Å; I277-V388 HydrophobicContact CD1-CG2 4.14Å; I277-V388 HydrophobicContact CG1-CG1 4.25Å; I277-V388 HydrophobicContact CG2-CG1 3.8Å; I277-V388 HydrophobicContact CG2-CG2 4.35Å; I277-V480 HydrophobicContact CG2-CG2 4.38Å
278	A	96.9	Very high	85.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.9	171	0	0	0	0	0	110.7	Y249 V250 F252 F300 F301 K302	Y249-A278 CarbonylContact C-O 3.56Å; Y249-A278 WeakPolarHBondContact CA-O 3.43Å; V250-A278 PolarHBondContact N-O 2.86Å; V250-A278 PolarHBondContact O-N 2.76Å; F252-A278 HydrophobicContact CE1-CB 3.67Å; F252-A278 HydrophobicContact CZ-CB 4.33Å; A278-F300 HydrophobicContact CB-CD2 4.37Å; A278-F300 HydrophobicContact CB-CE1 4.34Å; A278-F300 HydrophobicContact CB-CE2 3.7Å; A278-F300 HydrophobicContact CB-CZ 3.68Å; A278-F301 CarbonylContact C-O 3.4Å; A278-F301 WeakPolarHBondContact CA-O 3.45Å; A278-K302 HydrophobicContact CB-CB 3.84Å
279	R	96.1	Very high	87	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.2	168.7	-174.5	-179.5	73.7	-176.5	4.5	109.4	R248 Y249 F300 F301 D389 I392 E393 T457	R248-R279 CarbonylContact O-C 3.36Å; R248-R279 WeakPolarHBondContact O-CA 3.17Å; Y249-R279 HydrophobicContact CD1-CB 3.96Å; Y249-R279 HydrophobicContact CD1-CG 4.08Å; Y249-R279 HydrophobicContact CE1-CB 3.98Å; Y249-R279 HydrophobicContact CE1-CG 3.74Å; R279-F300 WeakPolarHBondContact O-CA 3.43Å; R279-F301 PolarHBondContact N-O 3Å; R279-F301 PolarHBondContact O-N 3.2Å; R279-F301 VanDerWaalsContact O-N 3.14Å; R279-D389 WeakPolarHBondContact CD-OD1 3.46Å; R279-D389 IonicContact CZ-OD1 2.81Å; R279-D389 IonicContact NE-OD1 3.06Å; R279-D389 IonicContact NH1-OD1 2.89Å; R279-D389 PolarHBondContact NH1-OD1 2.93Å; R279-I392 HydrophobicContact CB-CD1 3.43Å; R279-I392 VanDerWaalsContact CB-CD1 3.43Å; R279-I392 HydrophobicContact CG-CD1 4.44Å; R279-I392 VanDerWaalsContact CZ-CG2 3.45Å; R279-E393 IonicContact CZ-OE1 3.91Å; R279-E393 IonicContact NH1-OE1 3.36Å; R279-E393 PolarHBondContact NH1-OE1 3.24Å; R279-E393 IonicContact NH2-OE1 3.63Å; R279-T457 PolarHBondContact NH2-O 2.83Å
280	I	94.8	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.7	165.2	59	170.2	0	0	0	109.4	T156 L168 K247 R248 F297 F300	T156-I280 HydrophobicContact CG2-CD1 4.06Å; L168-I280 HydrophobicContact CD2-CD1 4.2Å; L168-I280 HydrophobicContact CD2-CG2 4.11Å; K247-I280 WeakPolarHBondContact CA-O 3.22Å; R248-I280 HydrophobicContact CB-CD1 3.97Å; R248-I280 HydrophobicContact CB-CG1 3.64Å; R248-I280 HydrophobicContact CG-CD1 4.37Å; R248-I280 HydrophobicContact CG-CG1 4.34Å; R248-I280 PolarHBondContact N-O 2.78Å; R248-I280 PolarHBondContact O-N 2.66Å; I280-F297 HydrophobicContact CB-CD1 4.27Å; I280-F297 HydrophobicContact CB-CE1 4.25Å; I280-F297 HydrophobicContact CD1-CE1 3.82Å; I280-F297 HydrophobicContact CD1-CZ 4.04Å; I280-F297 HydrophobicContact CG2-CD1 4.06Å; I280-F297 HydrophobicContact CG2-CE1 4.24Å; I280-F297 HydrophobicContact CG2-CG 4.42Å; I280-F300 HydrophobicContact CG2-CB 3.99Å; I280-F300 HydrophobicContact CG2-CD2 3.58Å; I280-F300 HydrophobicContact CG2-CG 4.22Å
281	C	94.5	Very high	89.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138	172.5	-50.9	0	0	0	0	109.8	G246 E283 D284 S299 C459	G246-C281 WeakPolarHBondContact O-CA 3.46Å; C281-E283 VanDerWaalsContact C-N 3.35Å; C281-D284 HydrophobicContact CB-CB 4.31Å; C281-D284 WeakPolarHBondContact O-CB 3.47Å; C281-D284 PolarHBondContact O-N 2.82Å; C281-S299 PolarHBondContact N-OG 3.2Å; C281-S299 WeakPolarHBondContact SG-CB 3.49Å; C281-C459 HydrophobicContact CB-CB 3.76Å; C281-C459 WeakPolarHBondContact CB-SG 3.4Å; C281-C459 WeakPolarHBondContact SG-CA 3.46Å; C281-C459 WeakPolarHBondContact SG-CB 3.38Å; C281-C459 CovalentContact SG-SG 2.03Å; C281-C459 PolarHBondContact SG-SG 3.46Å
282	T	93	Very high	90.4	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.043	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.3	-179.1	53.8	0	0	0	0	112.9	Y154 L170 G246 R248	Y154-T282 HydrophobicContact CD2-CG2 4.24Å; Y154-T282 HydrophobicContact CG-CG2 4.34Å; L170-T282 WeakPolarHBondContact CD2-O 3.36Å; G246-T282 VanDerWaalsContact CA-OG1 3.3Å; G246-T282 WeakPolarHBondContact CA-OG1 3.33Å; G246-T282 PolarHBondContact O-N 3.44Å; G246-T282 PolarHBondContact O-OG1 3.18Å; R248-T282 HydrophobicContact CG-CG2 4.08Å
283	E	90.8	Very high	90.5	Very high	107 Å²	107	41.3 Å²	41.3	50%	0.5	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	17	179.6	-66.9	-174.8	174.8	0	0	113.9	C281 K285 P460	C281-E283 VanDerWaalsContact C-N 3.35Å; E283-K285 PolarHBondContact O-N 2.79Å; E283-P460 CarbonylContact C-O 3.45Å; E283-P460 HydrophobicContact CB-CB 3.57Å; E283-P460 WeakPolarHBondContact OE2-CB 3.39Å
284	D	91.6	Very high	90.3	Very high	7 Å²	7	42 Å²	42	4%	0.037	23%	0.229	C	C	.	.			trans	-57.2	123.3	-179.9	177.9	-1	0	0	0	111.2	L220 C281 G286 T298 S299 P460	L220-D284 HydrophobicContact CD1-CB 3.61Å; C281-D284 HydrophobicContact CB-CB 4.31Å; C281-D284 WeakPolarHBondContact O-CB 3.47Å; C281-D284 PolarHBondContact O-N 2.82Å; D284-G286 PolarHBondContact O-N 2.86Å; D284-G286 WeakPolarHBondContact OD1-CA 3.46Å; D284-G286 PolarHBondContact OD1-N 2.93Å; D284-T298 PolarHBondContact OD1-OG1 2.86Å; D284-T298 PolarHBondContact OD2-N 3.13Å; D284-S299 WeakPolarHBondContact CB-OG 3.42Å; D284-S299 VanDerWaalsContact CG-OG 3.3Å; D284-S299 VanDerWaalsContact OD2-CB 3.26Å; D284-S299 WeakPolarHBondContact OD2-CB 3.15Å; D284-S299 PolarHBondContact OD2-N 2.59Å; D284-S299 PolarHBondContact OD2-OG 3.12Å; D284-P460 WeakPolarHBondContact CA-O 3.46Å; D284-P460 PolarHBondContact N-O 2.98Å
285	K	88.8	Confident	90.1	Very high	120 Å²	120	44.8 Å²	44.8	52%	0.522	24%	0.242	S	C	.	.			trans	-70.9	-11.2	-179.3	-62.5	-55.7	-177.9	-168.2	0	113.2	E283 K295 T463	E283-K285 PolarHBondContact O-N 2.79Å; K285-K295 WeakPolarHBondContact O-CE 3.08Å; K285-K295 PolarHBondContact O-NZ 3.08Å; K285-T463 HydrophobicContact CG-CG2 4.47Å
286	G	88.9	Confident	89.8	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.01	24%	0.242	C	C	.	.			trans	62.7	172.4	174.9	0	0	0	0	0	115.2	D284 L296 K467	D284-G286 PolarHBondContact O-N 2.86Å; D284-G286 WeakPolarHBondContact OD1-CA 3.46Å; D284-G286 PolarHBondContact OD1-N 2.93Å; G286-L296 CarbonylContact C-O 3.48Å; G286-L296 WeakPolarHBondContact CA-O 3.03Å; G286-K467 WeakPolarHBondContact O-CE 3.36Å; G286-K467 PolarHBondContact O-NZ 3.49Å
287	F	88	Confident	89.6	Confident	55 Å²	55	44.7 Å²	44.7	24%	0.241	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.7	172.1	-178.8	-97.2	0	0	0	109.1	M289 K295 L296 T298 K467 L471	F287-M289 HydrophobicContact CD1-CE 4.21Å; F287-M289 HydrophobicContact CE1-CE 4.19Å; F287-M289 HydrophobicContact CE1-SD 3.99Å; F287-M289 PolarHBondContact O-N 2.74Å; F287-K295 WeakPolarHBondContact O-CA 3.39Å; F287-L296 PolarHBondContact N-O 2.88Å; F287-L296 PolarHBondContact O-N 2.88Å; F287-T298 HydrophobicContact CB-CG2 3.64Å; F287-K467 HydrophobicContact CB-CB 4.32Å; F287-K467 HydrophobicContact CB-CD 4.45Å; F287-K467 HydrophobicContact CD2-CB 3.61Å; F287-K467 HydrophobicContact CD2-CD 4.05Å; F287-K467 HydrophobicContact CD2-CG 4.5Å; F287-K467 HydrophobicContact CE2-CB 4.42Å; F287-K467 HydrophobicContact CG-CB 4.37Å; F287-L471 HydrophobicContact CB-CD1 4.05Å; F287-L471 HydrophobicContact CD1-CD1 3.58Å; F287-L471 HydrophobicContact CE1-CD1 4.18Å; F287-L471 HydrophobicContact CG-CD1 3.84Å
288	L	88.5	Confident	89.3	Confident	116 Å²	116	45.2 Å²	45.2	61%	0.607	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	119.1	176.2	-170.6	73.3	0	0	0	108.9	G293	L288-G293 WeakPolarHBondContact CD1-O 3.16Å
289	M	85	Confident	89	Confident	31 Å²	31	45.3 Å²	45.3	15%	0.153	25%	0.245	C	C	.	.			trans	-75.7	127.1	178.5	-162.5	62.4	67.4	0	0	109.7	L225 F287 N291 D292 G293 S294 L296	L225-M289 HydrophobicContact CD1-CE 4.31Å; F287-M289 HydrophobicContact CD1-CE 4.21Å; F287-M289 HydrophobicContact CE1-CE 4.19Å; F287-M289 HydrophobicContact CE1-SD 3.99Å; F287-M289 PolarHBondContact O-N 2.74Å; M289-N291 PolarHBondContact O-N 3.2Å; M289-D292 VanDerWaalsContact CB-OD1 3.32Å; M289-D292 WeakPolarHBondContact CB-OD1 3.03Å; M289-G293 WeakPolarHBondContact O-CA 3.32Å; M289-G293 PolarHBondContact O-N 2.74Å; M289-S294 WeakPolarHBondContact CB-O 3.39Å; M289-S294 WeakPolarHBondContact CB-OG 3.43Å; M289-S294 PolarHBondContact N-O 3.01Å; M289-L296 HydrophobicContact CE-CD1 3.14Å; M289-L296 HydrophobicContact CE-CG 3.93Å
290	P	83.4	Confident	88.9	Confident	109 Å²	109	45.3 Å²	45.3	71%	0.708	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-29	-178.3	-24.7	34.2	0	0	0	114.2
291	N	79.7	Confident	88.9	Confident	153 Å²	153	45.3 Å²	45.3	82%	0.818	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-41.3	-168.1	-62	13.6	0	0	0	113.3	M289	M289-N291 PolarHBondContact O-N 3.2Å
292	D	82.1	Confident	89	Confident	86 Å²	86	45.7 Å²	45.7	46%	0.46	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	1.9	-174.6	69	-9.2	0	0	0	113.4	K224 M289 S294	K224-D292 IonicContact NZ-OD2 3.42Å; M289-D292 VanDerWaalsContact CB-OD1 3.32Å; M289-D292 WeakPolarHBondContact CB-OD1 3.03Å; D292-S294 VanDerWaalsContact CG-OG 3.32Å; D292-S294 PolarHBondContact O-N 3.34Å; D292-S294 VanDerWaalsContact O-N 3.11Å; D292-S294 VanDerWaalsContact OD1-CB 3.24Å; D292-S294 WeakPolarHBondContact OD1-CB 3.4Å; D292-S294 PolarHBondContact OD1-N 3.46Å; D292-S294 PolarHBondContact OD1-OG 2.75Å; D292-S294 PolarHBondContact OD2-OG 3.03Å
293	G	83.7	Confident	89.1	Confident	48 Å²	48	45.4 Å²	45.4	50%	0.495	25%	0.245	S	C	.	.			trans	66.9	6.4	-177.5	0	0	0	0	0	114.2	L288 M289	L288-G293 WeakPolarHBondContact CD1-O 3.16Å; M289-G293 WeakPolarHBondContact O-CA 3.32Å; M289-G293 PolarHBondContact O-N 2.74Å
294	S	85.8	Confident	89.4	Confident	17 Å²	17	41.6 Å²	41.6	12%	0.119	23%	0.226	C	C	.	.			trans	-64.7	143.1	177.7	63.9	0	0	0	0	110.6	E221 M289 D292	E221-S294 VanDerWaalsContact OE1-CB 3.28Å; E221-S294 WeakPolarHBondContact OE1-CB 3.27Å; M289-S294 WeakPolarHBondContact CB-O 3.39Å; M289-S294 WeakPolarHBondContact CB-OG 3.43Å; M289-S294 PolarHBondContact N-O 3.01Å; D292-S294 VanDerWaalsContact CG-OG 3.32Å; D292-S294 PolarHBondContact O-N 3.34Å; D292-S294 VanDerWaalsContact O-N 3.11Å; D292-S294 VanDerWaalsContact OD1-CB 3.24Å; D292-S294 WeakPolarHBondContact OD1-CB 3.4Å; D292-S294 PolarHBondContact OD1-N 3.46Å; D292-S294 PolarHBondContact OD1-OG 2.75Å; D292-S294 PolarHBondContact OD2-OG 3.03Å
295	K	89.7	Confident	89.7	Confident	80 Å²	80	41.3 Å²	41.3	35%	0.348	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.2	178.7	-157	-175.5	-173.9	-164.1	0	109.6	L219 L220 E221 K285 F287	L219-K295 WeakPolarHBondContact O-CB 3.41Å; L219-K295 VanDerWaalsContact O-CD 3.28Å; L219-K295 WeakPolarHBondContact O-CD 3.25Å; L220-K295 CarbonylContact C-O 3.57Å; L220-K295 VanDerWaalsContact CA-O 3.3Å; L220-K295 WeakPolarHBondContact CA-O 3.31Å; L220-K295 HydrophobicContact CD2-CB 4.24Å; L220-K295 HydrophobicContact CD2-CD 3.76Å; L220-K295 HydrophobicContact CD2-CG 3.71Å; E221-K295 PolarHBondContact N-O 3.32Å; K285-K295 WeakPolarHBondContact O-CE 3.08Å; K285-K295 PolarHBondContact O-NZ 3.08Å; F287-K295 WeakPolarHBondContact O-CA 3.39Å
296	L	90.7	Very high	90	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	147.7	-174.8	-57.3	-168.1	0	0	0	112.8	E221 G286 F287 M289 T298 L471	E221-L296 HydrophobicContact CG-CD2 3.87Å; E221-L296 VanDerWaalsContact O-CA 3.28Å; E221-L296 WeakPolarHBondContact O-CA 3.33Å; G286-L296 CarbonylContact C-O 3.48Å; G286-L296 WeakPolarHBondContact CA-O 3.03Å; F287-L296 PolarHBondContact N-O 2.88Å; F287-L296 PolarHBondContact O-N 2.88Å; M289-L296 HydrophobicContact CE-CD1 3.14Å; M289-L296 HydrophobicContact CE-CG 3.93Å; L296-T298 PolarHBondContact O-N 3.41Å; L296-L471 HydrophobicContact CB-CD2 3.75Å; L296-L471 HydrophobicContact CD1-CD1 4.17Å; L296-L471 HydrophobicContact CD1-CD2 3.98Å
297	F	92	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.			trans	-57.3	130.5	170.4	-68.8	-75.5	0	0	0	111.4	L168 L170 L220 E221 T222 H229 I280 F300 L471	L168-F297 HydrophobicContact CD2-CE2 4.23Å; L168-F297 HydrophobicContact CD2-CZ 4.49Å; L168-F297 HydrophobicContact CG-CE2 4.11Å; L168-F297 HydrophobicContact CG-CZ 4.36Å; L170-F297 HydrophobicContact CB-CE1 3.88Å; L170-F297 HydrophobicContact CB-CZ 3.73Å; L170-F297 HydrophobicContact CD2-CE1 4.43Å; L220-F297 HydrophobicContact CB-CD1 3.75Å; L220-F297 HydrophobicContact CB-CD2 4.34Å; L220-F297 HydrophobicContact CB-CE1 3.51Å; L220-F297 HydrophobicContact CB-CE2 4.13Å; L220-F297 HydrophobicContact CB-CG 4.16Å; L220-F297 HydrophobicContact CB-CZ 3.71Å; L220-F297 HydrophobicContact CD1-CD1 3.57Å; L220-F297 HydrophobicContact CD1-CE1 3.65Å; L220-F297 HydrophobicContact CG-CD1 4.27Å; L220-F297 HydrophobicContact CG-CE1 4.23Å; E221-F297 VanDerWaalsContact O-CD2 3.26Å; E221-F297 WeakPolarHBondContact O-CD2 3.28Å; E221-F297 PolarHBondContact O-N 2.87Å; E221-F297 VanDerWaalsContact O-N 3.13Å; T222-F297 HydrophobicContact CG2-CD2 3.88Å; T222-F297 HydrophobicContact CG2-CE2 4.18Å; H229-F297 PolarHBondContact CE1-O 2.87Å; H229-F297 PolarHBondContact NE2-O 3.48Å; I280-F297 HydrophobicContact CB-CD1 4.27Å; I280-F297 HydrophobicContact CB-CE1 4.25Å; I280-F297 HydrophobicContact CD1-CE1 3.82Å; I280-F297 HydrophobicContact CD1-CZ 4.04Å; I280-F297 HydrophobicContact CG2-CD1 4.06Å; I280-F297 HydrophobicContact CG2-CE1 4.24Å; I280-F297 HydrophobicContact CG2-CG 4.42Å; F297-F300 HydrophobicContact CB-CB 3.78Å; F297-F300 HydrophobicContact CG-CB 4.46Å; F297-L471 WeakPolarHBondContact O-CD2 3.34Å
298	T	90.3	Very high	90.5	Very high	10 Å²	10	33.6 Å²	33.6	6%	0.061	19%	0.191	C	C	.	.	S	Bend	trans	-108.3	-6.7	169.2	65.4	0	0	0	0	112.8	D284 F287 L296 K467 S470	D284-T298 PolarHBondContact OD1-OG1 2.86Å; D284-T298 PolarHBondContact OD2-N 3.13Å; F287-T298 HydrophobicContact CB-CG2 3.64Å; L296-T298 PolarHBondContact O-N 3.41Å; T298-K467 HydrophobicContact CG2-CB 3.92Å; T298-K467 HydrophobicContact CG2-CD 4.29Å; T298-K467 HydrophobicContact CG2-CG 4.03Å; T298-S470 WeakPolarHBondContact CA-OG 3.25Å; T298-S470 WeakPolarHBondContact CB-OG 3.49Å; T298-S470 WeakPolarHBondContact O-CB 3.37Å; T298-S470 PolarHBondContact O-OG 3.37Å; T298-S470 VanDerWaalsContact O-OG 3.08Å
299	S	92.5	Very high	90.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.014	17%	0.173	C	C	.	.	S	Bend	trans	-103.8	4.3	177.5	64	0	0	0	0	113.9	C281 D284 F301	C281-S299 PolarHBondContact N-OG 3.2Å; C281-S299 WeakPolarHBondContact SG-CB 3.49Å; D284-S299 WeakPolarHBondContact CB-OG 3.42Å; D284-S299 VanDerWaalsContact CG-OG 3.3Å; D284-S299 VanDerWaalsContact OD2-CB 3.26Å; D284-S299 WeakPolarHBondContact OD2-CB 3.15Å; D284-S299 PolarHBondContact OD2-N 2.59Å; D284-S299 PolarHBondContact OD2-OG 3.12Å; S299-F301 VanDerWaalsContact O-CD2 3.29Å; S299-F301 WeakPolarHBondContact O-CD2 3.31Å; S299-F301 PolarHBondContact O-N 3.04Å
300	F	93.7	Very high	90.2	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.177	C	C	.	.			trans	-76.2	109.5	178.3	-176.7	-82.6	0	0	0	110.4	L168 T222 H229 F230 F252 A278 R279 I280 F297 K302 S474	L168-F300 HydrophobicContact CD2-CD2 3.91Å; L168-F300 HydrophobicContact CD2-CE2 3.84Å; T222-F300 HydrophobicContact CG2-CD2 4.5Å; H229-F300 HydrophobicContact CB-CD1 3.85Å; H229-F300 HydrophobicContact CB-CE1 3.81Å; H229-F300 HydrophobicContact CB-CG 4.41Å; H229-F300 HydrophobicContact CB-CZ 4.31Å; H229-F300 AromaticContact CD2-CD1 3.81Å; H229-F300 AromaticContact CG-CD1 3.86Å; H229-F300 VanDerWaalsContact O-CE1 3.3Å; H229-F300 WeakPolarHBondContact O-CE1 3.32Å; F230-F300 HydrophobicContact CD1-CZ 4.07Å; F230-F300 AromaticContact CE1-CE2 3.93Å; F230-F300 HydrophobicContact CE1-CE2 3.93Å; F230-F300 AromaticContact CE1-CZ 3.5Å; F230-F300 HydrophobicContact CE1-CZ 3.5Å; F230-F300 AromaticContact CZ-CE2 3.82Å; F230-F300 HydrophobicContact CZ-CE2 3.82Å; F230-F300 AromaticContact CZ-CZ 3.85Å; F230-F300 HydrophobicContact CZ-CZ 3.85Å; F252-F300 HydrophobicContact CZ-CZ 4.41Å; A278-F300 HydrophobicContact CB-CD2 4.37Å; A278-F300 HydrophobicContact CB-CE1 4.34Å; A278-F300 HydrophobicContact CB-CE2 3.7Å; A278-F300 HydrophobicContact CB-CZ 3.68Å; R279-F300 WeakPolarHBondContact O-CA 3.43Å; I280-F300 HydrophobicContact CG2-CB 3.99Å; I280-F300 HydrophobicContact CG2-CD2 3.58Å; I280-F300 HydrophobicContact CG2-CG 4.22Å; F297-F300 HydrophobicContact CB-CB 3.78Å; F297-F300 HydrophobicContact CG-CB 4.46Å; F300-K302 HydrophobicContact CE1-CB 4.29Å; F300-K302 HydrophobicContact CE1-CD 4.18Å; F300-K302 HydrophobicContact CE1-CG 4.39Å; F300-S474 WeakPolarHBondContact O-CB 3.47Å
301	F	94.4	Very high	89.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.6	175	-64.9	-81.8	0	0	0	110.5	A278 R279 S299 I392 L397 L456 T457 S474 L476	A278-F301 CarbonylContact C-O 3.4Å; A278-F301 WeakPolarHBondContact CA-O 3.45Å; R279-F301 PolarHBondContact N-O 3Å; R279-F301 PolarHBondContact O-N 3.2Å; R279-F301 VanDerWaalsContact O-N 3.14Å; S299-F301 VanDerWaalsContact O-CD2 3.29Å; S299-F301 WeakPolarHBondContact O-CD2 3.31Å; S299-F301 PolarHBondContact O-N 3.04Å; F301-I392 HydrophobicContact CB-CG2 3.98Å; F301-L397 HydrophobicContact CD1-CD2 4.27Å; F301-L397 HydrophobicContact CE1-CD2 4.08Å; F301-L456 HydrophobicContact CE1-CD2 4.19Å; F301-L456 HydrophobicContact CZ-CD2 4.03Å; F301-L456 HydrophobicContact CZ-CG 3.97Å; F301-T457 HydrophobicContact CD1-CG2 3.77Å; F301-T457 HydrophobicContact CD2-CG2 3.56Å; F301-T457 HydrophobicContact CE1-CG2 3.78Å; F301-T457 HydrophobicContact CE2-CG2 3.58Å; F301-T457 HydrophobicContact CG-CG2 3.67Å; F301-T457 HydrophobicContact CZ-CG2 3.69Å; F301-S474 CarbonylContact C-O 3.52Å; F301-S474 VanDerWaalsContact CA-O 3.31Å; F301-S474 WeakPolarHBondContact CA-O 3.09Å; F301-L476 HydrophobicContact CB-CD1 4.37Å; F301-L476 HydrophobicContact CD1-CD2 4.36Å
302	K	95.5	Very high	88.8	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.5	-175.1	69	178.9	178.6	-175.2	0	113	H229 F252 E254 I277 A278 F300 S474 L475 L476	H229-K302 WeakPolarHBondContact O-CE 3.33Å; H229-K302 PolarHBondContact O-NZ 3.11Å; F252-K302 HydrophobicContact CE2-CD 4.47Å; F252-K302 HydrophobicContact CZ-CB 4.22Å; F252-K302 HydrophobicContact CZ-CD 3.93Å; E254-K302 WeakPolarHBondContact OE1-CD 3.41Å; E254-K302 WeakPolarHBondContact OE1-CE 3.29Å; E254-K302 IonicContact OE1-NZ 3.2Å; E254-K302 PolarHBondContact OE1-NZ 3.19Å; E254-K302 IonicContact OE2-NZ 3.97Å; E254-K302 PolarHBondContact OE2-NZ 2.98Å; I277-K302 WeakPolarHBondContact O-CA 3.17Å; A278-K302 HydrophobicContact CB-CB 3.84Å; F300-K302 HydrophobicContact CE1-CB 4.29Å; F300-K302 HydrophobicContact CE1-CD 4.18Å; F300-K302 HydrophobicContact CE1-CG 4.39Å; K302-S474 PolarHBondContact N-O 3.45Å; K302-L475 HydrophobicContact CD-CD1 4.42Å; K302-L475 HydrophobicContact CG-CB 4.39Å; K302-L475 HydrophobicContact CG-CD1 3.91Å; K302-L476 WeakPolarHBondContact O-CB 3.36Å; K302-L476 WeakPolarHBondContact O-CG 3.34Å; K302-L476 PolarHBondContact O-N 2.94Å
303	T	96.1	Very high	87.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160	176.4	177	0	0	0	0	111.1	R276 I277 I391 I392 D478 V480	R276-T303 VanDerWaalsContact CA-O 3.23Å; R276-T303 WeakPolarHBondContact CA-O 3.43Å; R276-T303 WeakPolarHBondContact CD-O 3.37Å; I277-T303 HydrophobicContact CG2-CG2 3.82Å; I277-T303 PolarHBondContact N-O 3.43Å; I277-T303 PolarHBondContact O-N 3Å; T303-I391 HydrophobicContact CG2-CG2 4.25Å; T303-I392 HydrophobicContact CG2-CG1 4.47Å; T303-D478 PolarHBondContact OG1-O 2.91Å; T303-V480 HydrophobicContact CG2-CG2 3.54Å
304	R	96.2	Very high	85.7	Confident	27 Å²	27	35.3 Å²	35.3	10%	0.102	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.9	177.2	-174.5	178.5	175	-161.2	-1.7	110.7	Y274 V306 D328 N330 V480	Y274-R304 HydrophobicContact CD2-CG 4.38Å; Y274-R304 HydrophobicContact CG-CG 4.21Å; R304-V306 HydrophobicContact CG-CG2 3.88Å; R304-D328 IonicContact CZ-OD2 2.73Å; R304-D328 IonicContact NH1-OD2 3.86Å; R304-D328 IonicContact NH2-OD2 2.81Å; R304-D328 PolarHBondContact NH2-OD2 2.8Å; R304-N330 PolarHBondContact NH2-OD1 3.31Å; R304-V480 PolarHBondContact O-N 2.85Å
305	L	97.7	Very high	84.1	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-87.9	117.6	159.7	-71.5	170.2	0	0	0	108.2	V251 T275 I277 F353 Y383 V480	V251-L305 HydrophobicContact CG1-CD1 4.28Å; T275-L305 HydrophobicContact CG2-CB 4.4Å; T275-L305 HydrophobicContact CG2-CD1 4.08Å; T275-L305 PolarHBondContact O-N 3.49Å; I277-L305 HydrophobicContact CB-CD1 4.11Å; I277-L305 HydrophobicContact CB-CG 4.18Å; I277-L305 HydrophobicContact CG2-CD1 4.43Å; I277-L305 HydrophobicContact CG2-CD2 4Å; I277-L305 HydrophobicContact CG2-CG 3.97Å; L305-F353 HydrophobicContact CB-CZ 4.47Å; L305-Y383 HydrophobicContact CD2-CD1 3.97Å; L305-Y383 HydrophobicContact CD2-CD2 4.15Å; L305-Y383 HydrophobicContact CD2-CE1 4.06Å; L305-Y383 HydrophobicContact CD2-CE2 4.25Å; L305-Y383 HydrophobicContact CD2-CG 3.99Å; L305-V480 HydrophobicContact CD2-CB 3.93Å; L305-V480 HydrophobicContact CD2-CG1 3.91Å
306	V	96.1	Very high	82.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-100.1	118.2	-178.2	177	0	0	0	0	109.5	R304 Q308 Y383 V480 Y481 P482	R304-V306 HydrophobicContact CG-CG2 3.88Å; V306-Q308 HydrophobicContact CG1-CB 4.25Å; V306-Q308 HydrophobicContact CG1-CG 3.92Å; V306-Q308 VanDerWaalsContact CG1-OE1 3.29Å; V306-Y383 PolarHBondContact O-OH 3.05Å; V306-V480 PolarHBondContact N-O 2.88Å; V306-Y481 HydrophobicContact CB-CD1 3.88Å; V306-Y481 HydrophobicContact CB-CE1 3.89Å; V306-Y481 HydrophobicContact CG1-CD1 3.81Å; V306-Y481 HydrophobicContact CG1-CE1 3.57Å; V306-Y481 HydrophobicContact CG2-CE1 4.15Å; V306-P482 WeakPolarHBondContact O-CD 3.28Å
307	C	95.9	Very high	80.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.			trans	-115	111.6	167.2	-167.7	0	0	0	0	108.5	F329 F353 C381	C307-F329 HydrophobicContact CB-CB 4.27Å; C307-F329 PolarHBondContact O-N 2.65Å; C307-F353 HydrophobicContact CB-CB 4.01Å; C307-F353 HydrophobicContact CB-CD1 4.08Å; C307-F353 HydrophobicContact CB-CD2 3.58Å; C307-F353 HydrophobicContact CB-CE1 4.45Å; C307-F353 HydrophobicContact CB-CE2 4.01Å; C307-F353 HydrophobicContact CB-CG 3.63Å; C307-F353 HydrophobicContact CB-CZ 4.43Å; C307-F353 VanDerWaalsContact SG-CD2 3.58Å; C307-C381 WeakPolarHBondContact CA-SG 3.48Å; C307-C381 HydrophobicContact CB-CB 3.83Å; C307-C381 WeakPolarHBondContact CB-SG 3.35Å; C307-C381 WeakPolarHBondContact SG-CB 3.23Å; C307-C381 CovalentContact SG-SG 2.04Å; C307-C381 PolarHBondContact SG-SG 2.92Å
308	Q	91.5	Very high	79.1	Confident	13 Å²	13	57.6 Å²	57.6	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.7	-176	67	174.9	84.5	0	0	112	V306 R310 R327 D328 N486	V306-Q308 HydrophobicContact CG1-CB 4.25Å; V306-Q308 HydrophobicContact CG1-CG 3.92Å; V306-Q308 VanDerWaalsContact CG1-OE1 3.29Å; Q308-R310 HydrophobicContact CG-CG 4.29Å; Q308-R327 VanDerWaalsContact CA-O 3.29Å; Q308-R327 WeakPolarHBondContact CA-O 3.42Å; Q308-D328 VanDerWaalsContact CB-OD1 3.29Å; Q308-D328 WeakPolarHBondContact CB-OD1 3.45Å; Q308-N486 PolarHBondContact O-OD1 2.89Å
309	V	87.9	Confident	77.1	Confident	38 Å²	38	60 Å²	60	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.3	169.6	177.4	0	0	0	0	108.6	R327 F329 N486 I487	V309-R327 PolarHBondContact N-O 3.33Å; V309-R327 PolarHBondContact O-N 2.84Å; V309-F329 HydrophobicContact CG2-CE2 3.73Å; V309-F329 HydrophobicContact CG2-CZ 4.48Å; V309-N486 WeakPolarHBondContact CA-OD1 3.24Å; V309-I487 HydrophobicContact CG2-CD1 3.55Å; V309-I487 HydrophobicContact CG2-CG1 3.92Å; V309-I487 HydrophobicContact CG2-CG2 3.98Å
310	R	78.9	Confident	75.1	Confident	63 Å²	63	64.6 Å²	64.6	24%	0.238	33%	0.332	C	S	.	.			trans	-100.8	118.4	170.4	-70.7	-170.1	166.5	103.1	-2.8	109.8	Q308 F485 N486	Q308-R310 HydrophobicContact CG-CG 4.29Å; R310-F485 WeakPolarHBondContact CD-O 3.3Å; R310-F485 PolarHBondContact NH1-O 2.8Å; R310-N486 PolarHBondContact N-OD1 2.6Å
311	T	69.9	Low	72.9	Confident	57 Å²	57	66.4 Å²	66.4	35%	0.35	34%	0.344	S	S	.	.			trans	-85.5	115.7	167.9	48.2	0	0	0	0	108.5	T313 S323	T311-T313 PolarHBondContact O-N 3Å; T311-S323 WeakPolarHBondContact OG1-CB 3.45Å; T311-S323 PolarHBondContact OG1-OG 3.31Å
312	K	63.2	Low	70.6	Confident	183 Å²	183	72.5 Å²	72.5	80%	0.796	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	97.8	168.3	-67	-177.5	-179	179.4	0	107.1	K314	K312-K314 PolarHBondContact O-N 2.63Å
313	T	52.5	Low	68.2	Low	57 Å²	57	73 Å²	73	35%	0.35	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.6	164.3	39.1	0	0	0	0	107.1	T311 N315 S321	T311-T313 PolarHBondContact O-N 3Å; T313-N315 PolarHBondContact O-N 3.4Å; T313-S321 PolarHBondContact O-N 3.26Å; T313-S321 PolarHBondContact OG1-O 3.02Å; T313-S321 PolarHBondContact OG1-OG 3.04Å
314	K	49.8	Very low	65.9	Low	181 Å²	181	79.1 Å²	79.1	79%	0.787	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	115.4	164	-70.5	-172.5	176.3	-172.1	0	106.1	K312	K312-K314 PolarHBondContact O-N 2.63Å
315	N	50.5	Low	64.3	Low	68 Å²	68	82 Å²	82	36%	0.364	44%	0.444	S	S	.	.			trans	-66.2	160.3	164.4	-72.3	-13.9	0	0	0	108.8	T313 D317 E318 S319 S321	T313-N315 PolarHBondContact O-N 3.4Å; N315-D317 PolarHBondContact O-N 2.88Å; N315-E318 PolarHBondContact O-N 3.15Å; N315-E318 VanDerWaalsContact O-N 3.13Å; N315-S319 WeakPolarHBondContact CB-O 3.48Å; N315-S319 PolarHBondContact N-O 3.5Å; N315-S319 VanDerWaalsContact N-O 3.11Å; N315-S321 WeakPolarHBondContact ND2-CB 3.44Å; N315-S321 PolarHBondContact ND2-OG 3.03Å; N315-S321 WeakPolarHBondContact OD1-CB 3.46Å; N315-S321 PolarHBondContact OD1-OG 3.12Å
316	L	56.2	Low	63.1	Low	181 Å²	181	84.6 Å²	84.6	95%	0.948	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-27.7	173.3	-82.4	149.2	0	0	0	112.9	E318	L316-E318 PolarHBondContact O-N 2.87Å
317	D	56.9	Low	62.6	Low	141 Å²	141	93.5 Å²	93.5	75%	0.754	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	25.6	-178.8	-56.7	-27.2	0	0	0	114.3	N315 S319	N315-D317 PolarHBondContact O-N 2.88Å; D317-S319 PolarHBondContact O-N 3.44Å
318	E	55.6	Low	62.3	Low	178 Å²	178	96 Å²	96	83%	0.832	51%	0.505	S	S	*	.	S	Bend	trans	55.2	-1.3	-176.5	-68.1	-166.5	146.7	0	0	116.5	N315 L316 S320	N315-E318 PolarHBondContact O-N 3.15Å; N315-E318 VanDerWaalsContact O-N 3.13Å; L316-E318 PolarHBondContact O-N 2.87Å; E318-S320 PolarHBondContact O-N 3.48Å
319	S	48.4	Very low	62.4	Low	61 Å²	61	96 Å²	96	43%	0.427	51%	0.505	S	S	.	.			trans	-70.4	123.8	169	59.3	0	0	0	0	109.6	N315 D317 S321	N315-S319 WeakPolarHBondContact CB-O 3.48Å; N315-S319 PolarHBondContact N-O 3.5Å; N315-S319 VanDerWaalsContact N-O 3.11Å; D317-S319 PolarHBondContact O-N 3.44Å; S319-S321 PolarHBondContact O-N 3.5Å; S319-S321 VanDerWaalsContact O-N 3.12Å
320	S	50	Low	62.6	Low	97 Å²	97	95.3 Å²	95.3	68%	0.678	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	105	171.6	58.6	0	0	0	0	108.7	E318	E318-S320 PolarHBondContact O-N 3.48Å
321	S	47.6	Very low	63.3	Low	39 Å²	39	93.7 Å²	93.7	27%	0.273	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139.5	163.7	65.7	0	0	0	0	109.2	T313 N315 S319 S323	T313-S321 PolarHBondContact O-N 3.26Å; T313-S321 PolarHBondContact OG1-O 3.02Å; T313-S321 PolarHBondContact OG1-OG 3.04Å; N315-S321 WeakPolarHBondContact ND2-CB 3.44Å; N315-S321 PolarHBondContact ND2-OG 3.03Å; N315-S321 WeakPolarHBondContact OD1-CB 3.46Å; N315-S321 PolarHBondContact OD1-OG 3.12Å; S319-S321 PolarHBondContact O-N 3.5Å; S319-S321 VanDerWaalsContact O-N 3.12Å; S321-S323 PolarHBondContact O-N 3.36Å
322	I	46.1	Very low	64.5	Low	128 Å²	128	91 Å²	91	66%	0.656	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.1	171.3	-62.2	163.2	0	0	0	106.1
323	S	45	Very low	65.9	Low	19 Å²	19	83.4 Å²	83.4	13%	0.133	45%	0.446	C	S	.	.			trans	-63.9	151	176.8	104.7	0	0	0	0	111.1	T311 S321 T325	T311-S323 WeakPolarHBondContact OG1-CB 3.45Å; T311-S323 PolarHBondContact OG1-OG 3.31Å; S321-S323 PolarHBondContact O-N 3.36Å; S323-T325 PolarHBondContact O-N 3.47Å; S323-T325 VanDerWaalsContact O-N 3.12Å; S323-T325 PolarHBondContact OG-N 3.08Å; S323-T325 PolarHBondContact OG-OG1 3.32Å; S323-T325 VanDerWaalsContact OG-OG1 3.12Å
324	S	48.9	Very low	68	Low	129 Å²	129	81.3 Å²	81.3	90%	0.902	44%	0.435	S	S	*	.	S	Bend	trans	-71.2	5.7	177.4	51.5	0	0	0	0	114.5
325	T	62.1	Low	70.1	Confident	86 Å²	86	74 Å²	74	53%	0.528	40%	0.404	S	S	.	.			trans	-110.4	37.4	-178.2	73.2	0	0	0	0	113.6	S323 R327	S323-T325 PolarHBondContact O-N 3.47Å; S323-T325 VanDerWaalsContact O-N 3.12Å; S323-T325 PolarHBondContact OG-N 3.08Å; S323-T325 PolarHBondContact OG-OG1 3.32Å; S323-T325 VanDerWaalsContact OG-OG1 3.12Å; T325-R327 PolarHBondContact O-N 3.43Å
326	N	72.7	Confident	72.3	Confident	58 Å²	58	71.3 Å²	71.3	31%	0.31	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-58.6	125.1	170.2	-70.3	-32.3	0	0	0	109.1
327	R	85.1	Confident	74.2	Confident	187 Å²	187	62.8 Å²	62.8	71%	0.706	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.6	175.5	-68.8	-174	-178.3	160.7	0.7	109.2	Q308 V309 T325 F329	Q308-R327 VanDerWaalsContact CA-O 3.29Å; Q308-R327 WeakPolarHBondContact CA-O 3.42Å; V309-R327 PolarHBondContact N-O 3.33Å; V309-R327 PolarHBondContact O-N 2.84Å; T325-R327 PolarHBondContact O-N 3.43Å; R327-F329 HydrophobicContact CB-CE2 4.32Å
328	D	89.2	Confident	75.8	Confident	53 Å²	53	56.1 Å²	56.1	28%	0.283	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.1	179.5	-75.5	0.3	0	0	0	111.3	R304 Q308	R304-D328 IonicContact CZ-OD2 2.73Å; R304-D328 IonicContact NH1-OD2 3.86Å; R304-D328 IonicContact NH2-OD2 2.81Å; R304-D328 PolarHBondContact NH2-OD2 2.8Å; Q308-D328 VanDerWaalsContact CB-OD1 3.29Å; Q308-D328 WeakPolarHBondContact CB-OD1 3.45Å
329	F	93.8	Very high	77.3	Confident	12 Å²	12	50.8 Å²	50.8	5%	0.053	28%	0.283	C	S	.	.			trans	-111.1	90.4	173.8	-65.9	-101.3	0	0	0	107.9	C307 V309 R327 F353 S354 A355 P377 A379 M490	C307-F329 HydrophobicContact CB-CB 4.27Å; C307-F329 PolarHBondContact O-N 2.65Å; V309-F329 HydrophobicContact CG2-CE2 3.73Å; V309-F329 HydrophobicContact CG2-CZ 4.48Å; R327-F329 HydrophobicContact CB-CE2 4.32Å; F329-F353 HydrophobicContact CB-CB 3.55Å; F329-F353 WeakPolarHBondContact CD1-O 3.38Å; F329-F353 WeakPolarHBondContact O-CB 3.02Å; F329-F353 WeakPolarHBondContact O-CD1 3.35Å; F329-S354 CarbonylContact C-O 3.57Å; F329-S354 WeakPolarHBondContact CA-O 3.38Å; F329-A355 HydrophobicContact CD1-CB 4.01Å; F329-A355 HydrophobicContact CE1-CB 4.11Å; F329-P377 WeakPolarHBondContact CE1-O 3.34Å; F329-A379 HydrophobicContact CB-CB 4.06Å; F329-A379 HydrophobicContact CD1-CB 3.7Å; F329-A379 HydrophobicContact CD2-CB 3.81Å; F329-A379 HydrophobicContact CE1-CB 4.09Å; F329-A379 HydrophobicContact CE2-CB 4.19Å; F329-A379 HydrophobicContact CG-CB 3.57Å; F329-A379 HydrophobicContact CZ-CB 4.32Å; F329-M490 HydrophobicContact CD1-CE 4.39Å; F329-M490 HydrophobicContact CE1-CE 3.47Å; F329-M490 VanDerWaalsContact CE1-CE 3.47Å; F329-M490 HydrophobicContact CE2-CE 4.4Å; F329-M490 HydrophobicContact CZ-CE 3.47Å; F329-M490 VanDerWaalsContact CZ-CE 3.47Å; F329-M490 HydrophobicContact CZ-SD 4.29Å
330	N	92.9	Very high	78.7	Confident	23 Å²	23	48.6 Å²	48.6	12%	0.123	27%	0.266	C	S	.	.			trans	-87.3	-20.7	-168.4	-67.9	-41.4	0	0	0	114.1	V273 Y274 T275 R304 S354	V273-N330 VanDerWaalsContact O-CB 3.25Å; V273-N330 WeakPolarHBondContact O-CB 3.08Å; Y274-N330 HydrophobicContact CD1-CB 4.23Å; T275-N330 PolarHBondContact N-O 3.13Å; T275-N330 PolarHBondContact OG1-O 3.26Å; R304-N330 PolarHBondContact NH2-OD1 3.31Å; N330-S354 PolarHBondContact N-O 3.13Å
331	Y	93.2	Very high	79.5	Confident	30 Å²	30	47 Å²	47	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	101.6	-172.9	-60.4	-87.9	0	0	0	111.3	V273 V333 F353 S354 R356 D357	V273-Y331 HydrophobicContact CB-CD1 4.39Å; V273-Y331 HydrophobicContact CB-CE1 3.65Å; V273-Y331 HydrophobicContact CG1-CD1 4.47Å; V273-Y331 HydrophobicContact CG1-CE1 4.13Å; V273-Y331 HydrophobicContact CG2-CE1 4.01Å; Y331-V333 PolarHBondContact O-N 2.9Å; Y331-F353 CarbonylContact O-C 3.52Å; Y331-F353 VanDerWaalsContact O-CA 3.27Å; Y331-F353 WeakPolarHBondContact O-CA 3.17Å; Y331-S354 PolarHBondContact N-O 3.02Å; Y331-S354 PolarHBondContact O-N 2.9Å; Y331-R356 WeakPolarHBondContact CD2-O 3.49Å; Y331-D357 HydrophobicContact CD1-CB 3.95Å; Y331-D357 HydrophobicContact CE1-CB 3.5Å; Y331-D357 HydrophobicContact CE2-CB 4.35Å
332	L	95	Very high	80.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	127.2	164.7	-172.1	65.1	0	0	0	111.6	Y239 V251 Q253 T275 A334 L335 F353	Y239-L332 HydrophobicContact CD1-CD2 3.67Å; Y239-L332 HydrophobicContact CD1-CG 3.97Å; Y239-L332 HydrophobicContact CD2-CD2 4.01Å; Y239-L332 HydrophobicContact CE1-CB 4.17Å; Y239-L332 HydrophobicContact CE1-CD2 4.13Å; Y239-L332 HydrophobicContact CE1-CG 3.99Å; Y239-L332 VanDerWaalsContact CE1-O 3.3Å; Y239-L332 WeakPolarHBondContact CE1-O 3.32Å; Y239-L332 HydrophobicContact CE2-CB 4.44Å; Y239-L332 HydrophobicContact CE2-CD2 4.48Å; Y239-L332 HydrophobicContact CG-CD2 3.59Å; Y239-L332 HydrophobicContact CG-CG 4.35Å; Y239-L332 PolarHBondContact OH-O 3.4Å; V251-L332 HydrophobicContact CG1-CD2 3.63Å; Q253-L332 PolarHBondContact NE2-O 3.1Å; T275-L332 HydrophobicContact CG2-CB 3.81Å; T275-L332 HydrophobicContact CG2-CD2 3.98Å; T275-L332 HydrophobicContact CG2-CG 4.46Å; T275-L332 WeakPolarHBondContact OG1-CB 3.24Å; T275-L332 PolarHBondContact OG1-N 3.33Å; T275-L332 VanDerWaalsContact OG1-N 3.13Å; L332-A334 WeakPolarHBondContact CD1-O 3.34Å; L332-L335 HydrophobicContact CD1-CD1 4.14Å; L332-L335 HydrophobicContact CD2-CB 4.3Å; L332-L335 HydrophobicContact CD2-CD1 4.11Å; L332-F353 HydrophobicContact CB-CD1 4.22Å; L332-F353 HydrophobicContact CB-CE1 4.07Å; L332-F353 HydrophobicContact CD1-CD1 4.37Å; L332-F353 HydrophobicContact CD1-CD2 4.45Å; L332-F353 HydrophobicContact CD1-CE1 3.98Å; L332-F353 HydrophobicContact CD1-CE2 4.06Å; L332-F353 HydrophobicContact CD1-CZ 3.81Å
333	V	93.2	Very high	81.2	Confident	24 Å²	24	47.2 Å²	47.2	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-47.5	176.5	174.8	0	0	0	0	110	Y331 L352 P358 L378 I497	Y331-V333 PolarHBondContact O-N 2.9Å; V333-L352 PolarHBondContact N-O 3.19Å; V333-P358 HydrophobicContact CG2-CG 4.42Å; V333-L378 HydrophobicContact CB-CD2 4.49Å; V333-L378 HydrophobicContact CG2-CD2 3.79Å; V333-I497 HydrophobicContact CG1-CB 4.41Å
334	A	94.7	Very high	81.7	Confident	13 Å²	13	54.6 Å²	54.6	11%	0.107	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150	179	0	0	0	0	0	111	L332 L352 I497 F500	L332-A334 WeakPolarHBondContact CD1-O 3.34Å; A334-L352 HydrophobicContact CB-CB 4.47Å; A334-L352 HydrophobicContact CB-CD1 4.34Å; A334-L352 PolarHBondContact N-O 2.92Å; A334-L352 PolarHBondContact O-N 2.78Å; A334-I497 HydrophobicContact CB-CG2 4.23Å; A334-F500 HydrophobicContact CB-CB 3.67Å; A334-F500 HydrophobicContact CB-CD1 3.96Å; A334-F500 HydrophobicContact CB-CG 4.17Å
335	L	95.8	Very high	82.7	Confident	26 Å²	26	55.3 Å²	55.3	14%	0.136	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.2	-176.4	-170.7	84.6	0	0	0	109.6	K240 V251 L332 I349 Y350	K240-L335 HydrophobicContact CB-CD2 3.45Å; K240-L335 VanDerWaalsContact CB-CD2 3.45Å; K240-L335 HydrophobicContact CD-CD2 4.4Å; K240-L335 HydrophobicContact CG-CD2 3.99Å; V251-L335 HydrophobicContact CB-CD2 4.33Å; V251-L335 HydrophobicContact CG1-CD2 4.45Å; V251-L335 HydrophobicContact CG2-CD2 4.21Å; L332-L335 HydrophobicContact CD1-CD1 4.14Å; L332-L335 HydrophobicContact CD2-CB 4.3Å; L332-L335 HydrophobicContact CD2-CD1 4.11Å; L335-I349 HydrophobicContact CD1-CG2 3.4Å; L335-I349 HydrophobicContact CG-CG2 4.27Å; L335-Y350 WeakPolarHBondContact CA-O 3.21Å
336	S	96.2	Very high	83.8	Confident	12 Å²	12	52 Å²	52	8%	0.084	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.1	168.6	-156.5	0	0	0	0	109.7	Y350 F500 I502	S336-Y350 PolarHBondContact N-O 3.5Å; S336-Y350 PolarHBondContact O-N 2.91Å; S336-Y350 VanDerWaalsContact O-O 3.11Å; S336-F500 PolarHBondContact OG-O 2.95Å; S336-I502 PolarHBondContact OG-N 3.06Å
337	T	94.9	Very high	84.7	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.3	-176.5	51.6	0	0	0	0	110.2	L242 L347 L348 I349 S627 N628	L242-T337 HydrophobicContact CD1-CG2 4.16Å; L242-T337 HydrophobicContact CD2-CG2 3.69Å; T337-L347 HydrophobicContact CG2-CD2 4.25Å; T337-L348 CarbonylContact C-O 3.55Å; T337-L348 WeakPolarHBondContact CA-O 3.3Å; T337-I349 HydrophobicContact CG2-CG1 4.17Å; T337-S627 VanDerWaalsContact O-CB 3.25Å; T337-S627 WeakPolarHBondContact O-CB 3.33Å; T337-S627 PolarHBondContact O-OG 3.44Å; T337-N628 VanDerWaalsContact C-OD1 3.24Å; T337-N628 VanDerWaalsContact CB-OD1 3.32Å; T337-N628 WeakPolarHBondContact CB-OD1 3.42Å; T337-N628 PolarHBondContact O-OD1 3.11Å; T337-N628 VanDerWaalsContact O-OD1 3.05Å; T337-N628 PolarHBondContact OG1-ND2 3.03Å; T337-N628 PolarHBondContact OG1-OD1 2.99Å
338	S	92.4	Very high	85.1	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.1	172.5	77	0	0	0	0	112.9	L348 Y350 V507 S627	S338-L348 PolarHBondContact N-O 2.93Å; S338-L348 PolarHBondContact O-N 2.85Å; S338-Y350 WeakPolarHBondContact OG-CE2 3.38Å; S338-Y350 PolarHBondContact OG-OH 2.78Å; S338-V507 VanDerWaalsContact OG-CG1 3.25Å; S338-V507 WeakPolarHBondContact OG-CG1 3.41Å; S338-S627 WeakPolarHBondContact CA-O 3.37Å
339	Y	87.1	Confident	85.4	Confident	66 Å²	66	38.5 Å²	38.5	26%	0.259	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145.5	165.9	-82.3	-73.8	0	0	0	111.6	L244 P341 D346 L347 V507 S627 N628	L244-Y339 VanDerWaalsContact CD2-OH 3.3Å; L244-Y339 WeakPolarHBondContact CD2-OH 3.26Å; Y339-P341 WeakPolarHBondContact O-CD 3.48Å; Y339-D346 VanDerWaalsContact CD1-O 3.24Å; Y339-D346 WeakPolarHBondContact CD1-O 3.34Å; Y339-L347 HydrophobicContact CD1-CD1 4.35Å; Y339-L347 HydrophobicContact CD2-CD1 3.92Å; Y339-L347 HydrophobicContact CE1-CB 4.14Å; Y339-L347 HydrophobicContact CE1-CD1 4.19Å; Y339-L347 HydrophobicContact CE2-CD1 3.76Å; Y339-L347 HydrophobicContact CG-CD1 4.21Å; Y339-V507 VanDerWaalsContact O-CG1 3.31Å; Y339-V507 WeakPolarHBondContact O-CG1 3.36Å; Y339-S627 PolarHBondContact N-O 3.29Å; Y339-S627 VanDerWaalsContact N-O 3.1Å; Y339-N628 VanDerWaalsContact CD2-C 3.5Å; Y339-N628 WeakPolarHBondContact CD2-O 3.37Å; Y339-N628 HydrophobicContact CE2-CB 4.49Å; Y339-N628 WeakPolarHBondContact CE2-O 3.32Å
340	I	77.1	Confident	85.5	Confident	16 Å²	16	38 Å²	38	8%	0.082	19%	0.191	C	C	.	.			trans	-90.3	117.4	168.2	-53.8	171.6	0	0	0	107.7	Q342 I343 L348 A508	I340-Q342 HydrophobicContact CG2-CB 4.18Å; I340-Q342 PolarHBondContact O-N 2.9Å; I340-I343 HydrophobicContact CB-CB 4.4Å; I340-I343 HydrophobicContact CD1-CD1 4.06Å; I340-I343 HydrophobicContact CG2-CB 4.42Å; I340-I343 HydrophobicContact CG2-CG1 4.27Å; I340-I343 CarbonylContact O-C 3.33Å; I340-I343 PolarHBondContact O-N 2.89Å; I340-L348 HydrophobicContact CD1-CD1 3.6Å; I340-L348 HydrophobicContact CD1-CD2 4Å; I340-L348 HydrophobicContact CD1-CG 3.75Å; I340-L348 HydrophobicContact CG1-CD1 3.5Å; I340-L348 HydrophobicContact CG1-CG 3.76Å; I340-A508 HydrophobicContact CG2-CB 4.3Å
341	P	65.8	Low	85.7	Confident	64 Å²	64	36.9 Å²	36.9	42%	0.416	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-34	-179.9	-24.5	33.5	0	0	0	113.4	Y339	Y339-P341 WeakPolarHBondContact O-CD 3.48Å
342	Q	66	Low	85.9	Confident	92 Å²	92	35.4 Å²	35.4	43%	0.43	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-26	-176.2	-64.3	163.2	22	0	0	113.8	I340 A508	I340-Q342 HydrophobicContact CG2-CB 4.18Å; I340-Q342 PolarHBondContact O-N 2.9Å; Q342-A508 PolarHBondContact NE2-O 3.15Å
343	I	63.2	Low	86	Confident	78 Å²	78	35.4 Å²	35.4	40%	0.4	18%	0.18	S	C	.	.	S	Bend	trans	-113.4	83.6	-179.8	-54.3	176.7	0	0	0	106.3	I340 N345 D346	I340-I343 HydrophobicContact CB-CB 4.4Å; I340-I343 HydrophobicContact CD1-CD1 4.06Å; I340-I343 HydrophobicContact CG2-CB 4.42Å; I340-I343 HydrophobicContact CG2-CG1 4.27Å; I340-I343 CarbonylContact O-C 3.33Å; I340-I343 PolarHBondContact O-N 2.89Å; I343-N345 PolarHBondContact O-N 2.81Å; I343-D346 PolarHBondContact O-N 3.41Å
344	K	56.1	Low	85.9	Confident	175 Å²	175	34.5 Å²	34.5	76%	0.761	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	113	179.2	-150.9	171.9	-176.9	176.1	0	108.4
345	N	70.2	Confident	85.6	Confident	143 Å²	143	36.6 Å²	36.6	77%	0.765	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.6	8.9	170.5	-49.5	-15.1	0	0	0	119.5	I343	I343-N345 PolarHBondContact O-N 2.81Å
346	D	86.2	Confident	85	Confident	16 Å²	16	40 Å²	40	9%	0.086	20%	0.203	C	C	.	.			trans	-111.3	135.1	170.3	-152.7	1.9	0	0	0	113.4	Y339 I343 K384 L385 S386	Y339-D346 VanDerWaalsContact CD1-O 3.24Å; Y339-D346 WeakPolarHBondContact CD1-O 3.34Å; I343-D346 PolarHBondContact O-N 3.41Å; D346-K384 VanDerWaalsContact OD2-CB 3.32Å; D346-K384 WeakPolarHBondContact OD2-CB 3.41Å; D346-K384 WeakPolarHBondContact OD2-CD 3.3Å; D346-K384 WeakPolarHBondContact OD2-CG 3.38Å; D346-L385 PolarHBondContact OD1-N 3.01Å; D346-S386 PolarHBondContact OD1-N 2.99Å; D346-S386 VanDerWaalsContact OD2-CB 3.26Å; D346-S386 WeakPolarHBondContact OD2-CB 3.37Å; D346-S386 PolarHBondContact OD2-OG 3.01Å
347	L	91.1	Very high	84.3	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	177.1	-171.8	79.9	0	0	0	108.6	L242 T337 Y339 L385	L242-L347 HydrophobicContact CD1-CD2 4.11Å; T337-L347 HydrophobicContact CG2-CD2 4.25Å; Y339-L347 HydrophobicContact CD1-CD1 4.35Å; Y339-L347 HydrophobicContact CD2-CD1 3.92Å; Y339-L347 HydrophobicContact CE1-CB 4.14Å; Y339-L347 HydrophobicContact CE1-CD1 4.19Å; Y339-L347 HydrophobicContact CE2-CD1 3.76Å; Y339-L347 HydrophobicContact CG-CD1 4.21Å; L347-L385 HydrophobicContact CB-CB 4.05Å; L347-L385 HydrophobicContact CB-CD2 3.89Å; L347-L385 HydrophobicContact CD2-CD2 3.92Å; L347-L385 VanDerWaalsContact O-CB 3.3Å; L347-L385 WeakPolarHBondContact O-CB 3.39Å; L347-L385 PolarHBondContact O-N 2.71Å
348	L	92.8	Very high	83.4	Confident	7 Å²	7	41 Å²	41	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136.5	170.9	-67.4	-177.2	0	0	0	110.6	T337 S338 I340 Y350 I382 Y383 K384	T337-L348 CarbonylContact C-O 3.55Å; T337-L348 WeakPolarHBondContact CA-O 3.3Å; S338-L348 PolarHBondContact N-O 2.93Å; S338-L348 PolarHBondContact O-N 2.85Å; I340-L348 HydrophobicContact CD1-CD1 3.6Å; I340-L348 HydrophobicContact CD1-CD2 4Å; I340-L348 HydrophobicContact CD1-CG 3.75Å; I340-L348 HydrophobicContact CG1-CD1 3.5Å; I340-L348 HydrophobicContact CG1-CG 3.76Å; L348-Y350 HydrophobicContact CB-CD2 4.32Å; L348-Y350 HydrophobicContact CB-CE2 3.61Å; L348-Y350 HydrophobicContact CD1-CE2 4.26Å; L348-Y350 WeakPolarHBondContact CD1-OH 3.33Å; L348-I382 HydrophobicContact CB-CG2 4.31Å; L348-I382 HydrophobicContact CD1-CG2 4.3Å; L348-I382 HydrophobicContact CD2-CG2 4.1Å; L348-I382 HydrophobicContact CG-CG2 4.49Å; L348-Y383 CarbonylContact C-O 3.5Å; L348-Y383 WeakPolarHBondContact CA-O 2.96Å; L348-K384 HydrophobicContact CD2-CG 3.67Å
349	I	95.6	Very high	82.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.8	172.8	-59	170.7	0	0	0	107.9	L242 I277 L335 T337 I382 Y383 L385	L242-I349 HydrophobicContact CD1-CD1 3.86Å; L242-I349 HydrophobicContact CD1-CG1 4.08Å; I277-I349 HydrophobicContact CD1-CD1 3.82Å; L335-I349 HydrophobicContact CD1-CG2 3.4Å; L335-I349 HydrophobicContact CG-CG2 4.27Å; T337-I349 HydrophobicContact CG2-CG1 4.17Å; I349-I382 CarbonylContact O-C 3.49Å; I349-I382 VanDerWaalsContact O-CA 3.31Å; I349-I382 WeakPolarHBondContact O-CA 3.47Å; I349-Y383 HydrophobicContact CB-CD2 4.43Å; I349-Y383 HydrophobicContact CG2-CD2 4.4Å; I349-Y383 PolarHBondContact N-O 2.89Å; I349-Y383 PolarHBondContact O-N 3.22Å; I349-L385 HydrophobicContact CD1-CD1 4.11Å
350	Y	97	Very high	81.2	Confident	1 Å²	1	44 Å²	44	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121	173.1	-58.6	-106.4	0	0	0	107.8	L335 S336 S338 L348 I382 I502 T526 L542	L335-Y350 WeakPolarHBondContact CA-O 3.21Å; S336-Y350 PolarHBondContact N-O 3.5Å; S336-Y350 PolarHBondContact O-N 2.91Å; S336-Y350 VanDerWaalsContact O-O 3.11Å; S338-Y350 WeakPolarHBondContact OG-CE2 3.38Å; S338-Y350 PolarHBondContact OG-OH 2.78Å; L348-Y350 HydrophobicContact CB-CD2 4.32Å; L348-Y350 HydrophobicContact CB-CE2 3.61Å; L348-Y350 HydrophobicContact CD1-CE2 4.26Å; L348-Y350 WeakPolarHBondContact CD1-OH 3.33Å; Y350-I382 HydrophobicContact CD1-CD1 3.61Å; Y350-I382 HydrophobicContact CD1-CG1 3.62Å; Y350-I382 HydrophobicContact CD1-CG2 4.46Å; Y350-I382 HydrophobicContact CE1-CD1 3.42Å; Y350-I382 VanDerWaalsContact CE1-CD1 3.42Å; Y350-I382 HydrophobicContact CE1-CG1 3.91Å; Y350-I382 HydrophobicContact CE1-CG2 4.34Å; Y350-I382 HydrophobicContact CG-CG1 4.36Å; Y350-I502 HydrophobicContact CD1-CD1 3.93Å; Y350-I502 HydrophobicContact CD2-CD1 4.05Å; Y350-I502 HydrophobicContact CD2-CG1 3.84Å; Y350-I502 HydrophobicContact CE1-CD1 4.23Å; Y350-I502 HydrophobicContact CE2-CD1 4.36Å; Y350-I502 HydrophobicContact CE2-CG1 4.04Å; Y350-I502 HydrophobicContact CG-CD1 3.84Å; Y350-I502 HydrophobicContact CG-CG1 4.15Å; Y350-T526 HydrophobicContact CE1-CG2 4.31Å; Y350-L542 HydrophobicContact CE1-CD2 4.31Å
351	G	97.1	Very high	80.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.4	175.5	0	0	0	0	0	111.1	F353 C381	G351-F353 WeakPolarHBondContact O-CD2 3.32Å; G351-C381 PolarHBondContact N-O 3.13Å; G351-C381 PolarHBondContact O-N 2.85Å
352	L	96.8	Very high	79.7	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.7	165.5	-69	174.3	0	0	0	108.1	V333 A334 A379 L380 I491 I497 F500 I530	V333-L352 PolarHBondContact N-O 3.19Å; A334-L352 HydrophobicContact CB-CB 4.47Å; A334-L352 HydrophobicContact CB-CD1 4.34Å; A334-L352 PolarHBondContact N-O 2.92Å; A334-L352 PolarHBondContact O-N 2.78Å; L352-A379 CarbonylContact C-O 3.55Å; L352-A379 WeakPolarHBondContact CA-O 3.45Å; L352-L380 HydrophobicContact CD2-CB 3.94Å; L352-L380 HydrophobicContact CD2-CD1 3.75Å; L352-L380 HydrophobicContact CD2-CG 4.41Å; L352-L380 HydrophobicContact CG-CD1 4.32Å; L352-I491 HydrophobicContact CD2-CD1 3.94Å; L352-I497 HydrophobicContact CD1-CD1 3.78Å; L352-I497 HydrophobicContact CD1-CG2 4.42Å; L352-F500 HydrophobicContact CD1-CD1 4.22Å; L352-F500 HydrophobicContact CD1-CD2 4.08Å; L352-F500 HydrophobicContact CD1-CE1 4.43Å; L352-F500 HydrophobicContact CD1-CE2 4.3Å; L352-F500 HydrophobicContact CD1-CG 4.05Å; L352-F500 HydrophobicContact CD1-CZ 4.47Å; L352-F500 HydrophobicContact CG-CD1 4.4Å; L352-F500 HydrophobicContact CG-CE1 4.22Å; L352-F500 HydrophobicContact CG-CZ 4.32Å; L352-I530 HydrophobicContact CD1-CD1 4.14Å
353	F	95.9	Very high	79	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.7	-175.9	-64.3	-101.6	0	0	0	111.3	T275 L305 C307 F329 Y331 L332 G351 L378 A379 C381 Y383	T275-F353 HydrophobicContact CG2-CE1 3.95Å; L305-F353 HydrophobicContact CB-CZ 4.47Å; C307-F353 HydrophobicContact CB-CB 4.01Å; C307-F353 HydrophobicContact CB-CD1 4.08Å; C307-F353 HydrophobicContact CB-CD2 3.58Å; C307-F353 HydrophobicContact CB-CE1 4.45Å; C307-F353 HydrophobicContact CB-CE2 4.01Å; C307-F353 HydrophobicContact CB-CG 3.63Å; C307-F353 HydrophobicContact CB-CZ 4.43Å; C307-F353 VanDerWaalsContact SG-CD2 3.58Å; F329-F353 HydrophobicContact CB-CB 3.55Å; F329-F353 WeakPolarHBondContact CD1-O 3.38Å; F329-F353 WeakPolarHBondContact O-CB 3.02Å; F329-F353 WeakPolarHBondContact O-CD1 3.35Å; Y331-F353 CarbonylContact O-C 3.52Å; Y331-F353 VanDerWaalsContact O-CA 3.27Å; Y331-F353 WeakPolarHBondContact O-CA 3.17Å; L332-F353 HydrophobicContact CB-CD1 4.22Å; L332-F353 HydrophobicContact CB-CE1 4.07Å; L332-F353 HydrophobicContact CD1-CD1 4.37Å; L332-F353 HydrophobicContact CD1-CD2 4.45Å; L332-F353 HydrophobicContact CD1-CE1 3.98Å; L332-F353 HydrophobicContact CD1-CE2 4.06Å; L332-F353 HydrophobicContact CD1-CZ 3.81Å; G351-F353 WeakPolarHBondContact O-CD2 3.32Å; F353-L378 CarbonylContact O-C 3.6Å; F353-L378 VanDerWaalsContact O-CA 3.31Å; F353-L378 WeakPolarHBondContact O-CA 3.49Å; F353-A379 PolarHBondContact N-O 2.92Å; F353-A379 PolarHBondContact O-N 2.99Å; F353-C381 HydrophobicContact CD2-CB 4.15Å; F353-C381 HydrophobicContact CE2-CB 3.97Å; F353-Y383 AromaticContact CE2-CE2 3.8Å; F353-Y383 HydrophobicContact CE2-CE2 3.8Å; F353-Y383 WeakPolarHBondContact CE2-OH 3.17Å; F353-Y383 AromaticContact CZ-CE2 3.88Å; F353-Y383 HydrophobicContact CZ-CE2 3.88Å; F353-Y383 WeakPolarHBondContact CZ-OH 3.48Å
354	S	92.3	Very high	78.5	Confident	5 Å²	5	47.2 Å²	47.2	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.6	169.9	-170.3	0	0	0	0	110.6	F329 N330 Y331 R356 S375	F329-S354 CarbonylContact C-O 3.57Å; F329-S354 WeakPolarHBondContact CA-O 3.38Å; N330-S354 PolarHBondContact N-O 3.13Å; Y331-S354 PolarHBondContact N-O 3.02Å; Y331-S354 PolarHBondContact O-N 2.9Å; S354-R356 VanDerWaalsContact C-N 3.31Å; S354-R356 WeakPolarHBondContact CB-O 3.21Å; S354-R356 PolarHBondContact OG-N 3.04Å; S354-R356 PolarHBondContact OG-O 2.92Å; S354-S375 PolarHBondContact OG-O 3.27Å; S354-S375 VanDerWaalsContact OG-O 3.06Å
355	A	88.4	Confident	78.1	Confident	57 Å²	57	42.8 Å²	42.8	47%	0.471	23%	0.234	S	C	.	.	S	Bend	trans	-78.3	-19.1	171	0	0	0	0	0	112.2	F329	F329-A355 HydrophobicContact CD1-CB 4.01Å; F329-A355 HydrophobicContact CE1-CB 4.11Å
356	R	82.7	Confident	77.2	Confident	97 Å²	97	42.8 Å²	42.8	37%	0.366	23%	0.233	S	C	.	.	S	Bend	trans	-115.8	148.8	-179.8	-177.9	177.6	175.8	173.5	-0.3	110.3	Y331 S354 P358	Y331-R356 WeakPolarHBondContact CD2-O 3.49Å; S354-R356 VanDerWaalsContact C-N 3.31Å; S354-R356 WeakPolarHBondContact CB-O 3.21Å; S354-R356 PolarHBondContact OG-N 3.04Å; S354-R356 PolarHBondContact OG-O 2.92Å; R356-P358 VanDerWaalsContact O-CD 3.29Å; R356-P358 WeakPolarHBondContact O-CD 3.25Å
357	D	82	Confident	75.5	Confident	18 Å²	18	51.3 Å²	51.3	10%	0.096	27%	0.27	C	S	.	.			trans	-59.4	117.2	172.5	-173.5	-8.5	0	0	0	110.6	Y331 Q359 L360	Y331-D357 HydrophobicContact CD1-CB 3.95Å; Y331-D357 HydrophobicContact CE1-CB 3.5Å; Y331-D357 HydrophobicContact CE2-CB 4.35Å; D357-Q359 PolarHBondContact O-N 2.74Å; D357-Q359 WeakPolarHBondContact OD1-CB 3.33Å; D357-Q359 PolarHBondContact OD1-N 2.95Å; D357-L360 HydrophobicContact CB-CD1 3.9Å; D357-L360 HydrophobicContact CB-CG 4.12Å; D357-L360 PolarHBondContact O-N 3.13Å
358	P	75.2	Confident	73.6	Confident	19 Å²	19	57 Å²	57	12%	0.123	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.7	177.9	28.2	-35.7	0	0	0	113.1	V333 R356 N361	V333-P358 HydrophobicContact CG2-CG 4.42Å; R356-P358 VanDerWaalsContact O-CD 3.29Å; R356-P358 WeakPolarHBondContact O-CD 3.25Å; P358-N361 PolarHBondContact O-N 2.92Å; P358-N361 PolarHBondContact O-ND2 2.77Å
359	Q	69.4	Low	71.7	Confident	67 Å²	67	57.6 Å²	57.6	31%	0.313	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-31.4	-178.8	-62	-170.5	50.1	0	0	112.8	M237 D357 N361 N362	M237-Q359 PolarHBondContact SD-NE2 2.62Å; D357-Q359 PolarHBondContact O-N 2.74Å; D357-Q359 WeakPolarHBondContact OD1-CB 3.33Å; D357-Q359 PolarHBondContact OD1-N 2.95Å; Q359-N361 PolarHBondContact O-N 2.88Å; Q359-N362 PolarHBondContact O-N 3.05Å
360	L	64.6	Low	69.6	Low	60 Å²	60	63.9 Å²	63.9	31%	0.314	34%	0.337	S	S	.	.	H	α-helix	trans	-57	-21.3	177	-75.4	169.1	0	0	0	112.9	D357 I364	D357-L360 HydrophobicContact CB-CD1 3.9Å; D357-L360 HydrophobicContact CB-CG 4.12Å; D357-L360 PolarHBondContact O-N 3.13Å; L360-I364 WeakPolarHBondContact O-CD1 2.86Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å
361	N	56.3	Low	67.3	Low	30 Å²	30	71.4 Å²	71.4	16%	0.16	38%	0.377	C	S	.	.	H	α-helix	trans	-73.3	-27	179.4	-62.8	-34.2	0	0	0	113.6	P358 Q359 D363 T374	P358-N361 PolarHBondContact O-N 2.92Å; P358-N361 PolarHBondContact O-ND2 2.77Å; Q359-N361 PolarHBondContact O-N 2.88Å; N361-D363 VanDerWaalsContact C-N 3.32Å; N361-T374 VanDerWaalsContact CG-O 3.25Å; N361-T374 VanDerWaalsContact ND2-C 3.35Å; N361-T374 PolarHBondContact ND2-O 2.9Å; N361-T374 PolarHBondContact OD1-O 3.22Å
362	N	54.9	Low	65	Low	113 Å²	113	75.7 Å²	75.7	60%	0.604	40%	0.4	S	S	*	.	H	α-helix	trans	-75	-25.1	179.7	-69.8	-18.3	0	0	0	112.2	Q359	Q359-N362 PolarHBondContact O-N 3.05Å
363	D	51.5	Low	62.9	Low	126 Å²	126	78.8 Å²	78.8	67%	0.674	42%	0.418	S	S	*	.	H	α-helix	trans	-89.4	-15.7	-177.5	-70.3	-29.9	0	0	0	113.3	N361	N361-D363 VanDerWaalsContact C-N 3.32Å
364	I	52.4	Low	61	Low	49 Å²	49	80.3 Å²	80.3	25%	0.251	43%	0.428	S	S	.	.	S	Bend	trans	-87	121	178.6	-59.6	163.6	0	0	0	108.8	L360 L366 L368 T369	L360-I364 WeakPolarHBondContact O-CD1 2.86Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å; I364-L366 PolarHBondContact O-N 2.87Å; I364-L368 HydrophobicContact CG2-CB 3.82Å; I364-L368 HydrophobicContact CG2-CD1 4.35Å; I364-T369 HydrophobicContact CB-CG2 4.02Å; I364-T369 HydrophobicContact CG2-CG2 3.69Å
365	S	48.3	Very low	59.5	Low	82 Å²	82	80.5 Å²	80.5	57%	0.573	43%	0.429	S	S	*	.			trans	-48.2	131.8	176.9	-88.6	0	0	0	0	112.1	K367 L368	S365-K367 PolarHBondContact O-N 3.11Å; S365-L368 PolarHBondContact O-N 2.81Å
366	L	51.2	Low	58.8	Low	143 Å²	143	78.6 Å²	78.6	75%	0.749	42%	0.415	S	S	*	.	H	α-helix	trans	-46.7	-28.9	176.9	-93.1	139.3	0	0	0	114.2	I364 L368 T369 N370	I364-L366 PolarHBondContact O-N 2.87Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.8Å; L366-T369 WeakPolarHBondContact CA-OG1 3.46Å; L366-T369 PolarHBondContact O-N 3.16Å; L366-T369 PolarHBondContact O-OG1 3.34Å; L366-T369 VanDerWaalsContact O-OG1 3.08Å; L366-N370 PolarHBondContact O-OD1 2.84Å
367	K	51.2	Low	59	Low	196 Å²	196	76.9 Å²	76.9	85%	0.852	42%	0.417	S	S	*	.	H	α-helix	trans	-66.4	-27.1	175.8	-72	-177.1	177.7	-179.8	0	114.1	S365	S365-K367 PolarHBondContact O-N 3.11Å
368	L	51.1	Low	59.6	Low	126 Å²	126	76 Å²	76	66%	0.66	41%	0.412	S	S	*	.	H	α-helix	trans	-91.3	-17.5	177.5	-71.7	160.9	0	0	0	112.4	I364 S365 L366	I364-L368 HydrophobicContact CG2-CB 3.82Å; I364-L368 HydrophobicContact CG2-CD1 4.35Å; S365-L368 PolarHBondContact O-N 2.81Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.8Å
369	T	52	Low	60.5	Low	20 Å²	20	75.1 Å²	75.1	12%	0.123	41%	0.406	C	S	.	.	H	α-helix	trans	-92.2	-10	-175.2	60	0	0	0	0	114.5	I364 L366 N371 L372	I364-T369 HydrophobicContact CB-CG2 4.02Å; I364-T369 HydrophobicContact CG2-CG2 3.69Å; L366-T369 WeakPolarHBondContact CA-OG1 3.46Å; L366-T369 PolarHBondContact O-N 3.16Å; L366-T369 PolarHBondContact O-OG1 3.34Å; L366-T369 VanDerWaalsContact O-OG1 3.08Å; T369-N371 PolarHBondContact O-N 2.99Å; T369-L372 PolarHBondContact O-N 2.81Å
370	N	50.6	Low	61.8	Low	132 Å²	132	72 Å²	72	71%	0.706	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-24.6	-178	-84.5	-2.6	0	0	0	114.4	L366	L366-N370 PolarHBondContact O-OD1 2.84Å
371	N	48.8	Very low	63.3	Low	159 Å²	159	69.1 Å²	69.1	85%	0.85	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-1	177.2	-66.2	-14.1	0	0	0	114.3	T369	T369-N371 PolarHBondContact O-N 2.99Å
372	L	49.1	Very low	65.2	Low	90 Å²	90	67.9 Å²	67.9	47%	0.471	37%	0.37	S	S	.	.	S	Bend	trans	-96.5	122.1	179	-70	168.2	0	0	0	108.8	T369 T374	T369-L372 PolarHBondContact O-N 2.81Å; L372-T374 PolarHBondContact O-N 2.83Å
373	V	53.1	Low	67.1	Low	65 Å²	65	62.6 Å²	62.6	39%	0.394	34%	0.342	S	S	.	.			trans	-59.7	102	169.7	-176.5	0	0	0	0	107.4	S375 G376 T493	V373-S375 PolarHBondContact O-N 2.75Å; V373-G376 PolarHBondContact O-N 3.15Å; V373-T493 WeakPolarHBondContact CG1-O 3.39Å
374	T	56	Low	69.1	Low	33 Å²	33	58.9 Å²	58.9	20%	0.202	32%	0.32	C	S	.	.	S	Bend	trans	-56.5	-49.2	-171	57.7	0	0	0	0	110.8	N361 L372 R494	N361-T374 VanDerWaalsContact CG-O 3.25Å; N361-T374 VanDerWaalsContact ND2-C 3.35Å; N361-T374 PolarHBondContact ND2-O 2.9Å; N361-T374 PolarHBondContact OD1-O 3.22Å; L372-T374 PolarHBondContact O-N 2.83Å; T374-R494 PolarHBondContact OG1-O 3.29Å
375	S	61.4	Low	71	Confident	8 Å²	8	56.7 Å²	56.7	6%	0.056	31%	0.308	C	S	.	.	S	Bend	trans	-85	-13.5	-175.1	-58.8	0	0	0	0	115.1	S354 V373 S495	S354-S375 PolarHBondContact OG-O 3.27Å; S354-S375 VanDerWaalsContact OG-O 3.06Å; V373-S375 PolarHBondContact O-N 2.75Å; S375-S495 PolarHBondContact OG-O 3.19Å
376	G	73.5	Confident	73.1	Confident	18 Å²	18	55.4 Å²	55.4	19%	0.186	30%	0.299	C	S	.	.			trans	55.8	-174.3	-161.7	0	0	0	0	0	112.5	V373	V373-G376 PolarHBondContact O-N 3.15Å
377	P	86.6	Confident	75.2	Confident	61 Å²	61	50.6 Å²	50.6	40%	0.396	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.5	170.9	32.4	-35.4	0	0	0	109.8	F329 M490 E492	F329-P377 WeakPolarHBondContact CE1-O 3.34Å; P377-M490 HydrophobicContact CB-CE 3.66Å; P377-M490 HydrophobicContact CG-CE 4.28Å; P377-E492 HydrophobicContact CB-CB 4.48Å
378	L	93.7	Very high	77.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.4	-179.6	-58.3	177.9	0	0	0	110.5	V333 F353 M490 I491 T493 I497	V333-L378 HydrophobicContact CB-CD2 4.49Å; V333-L378 HydrophobicContact CG2-CD2 3.79Å; F353-L378 CarbonylContact O-C 3.6Å; F353-L378 VanDerWaalsContact O-CA 3.31Å; F353-L378 WeakPolarHBondContact O-CA 3.49Å; L378-M490 VanDerWaalsContact C-CE 3.43Å; L378-M490 CarbonylContact O-C 3.51Å; L378-M490 VanDerWaalsContact O-CA 3.25Å; L378-M490 WeakPolarHBondContact O-CA 3.38Å; L378-M490 WeakPolarHBondContact O-CE 3.5Å; L378-I491 HydrophobicContact CB-CB 4.48Å; L378-I491 WeakPolarHBondContact CB-O 3.49Å; L378-I491 PolarHBondContact N-O 3.01Å; L378-I491 PolarHBondContact O-N 2.85Å; L378-T493 HydrophobicContact CD1-CG2 4.37Å; L378-I497 HydrophobicContact CD1-CD1 3.36Å; L378-I497 HydrophobicContact CD1-CG1 3.94Å
379	A	94.8	Very high	79.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.4	178.3	0	0	0	0	0	111.4	F329 L352 F353 I487 M490	F329-A379 HydrophobicContact CB-CB 4.06Å; F329-A379 HydrophobicContact CD1-CB 3.7Å; F329-A379 HydrophobicContact CD2-CB 3.81Å; F329-A379 HydrophobicContact CE1-CB 4.09Å; F329-A379 HydrophobicContact CE2-CB 4.19Å; F329-A379 HydrophobicContact CG-CB 3.57Å; F329-A379 HydrophobicContact CZ-CB 4.32Å; L352-A379 CarbonylContact C-O 3.55Å; L352-A379 WeakPolarHBondContact CA-O 3.45Å; F353-A379 PolarHBondContact N-O 2.92Å; F353-A379 PolarHBondContact O-N 2.99Å; A379-I487 HydrophobicContact CB-CG2 3.71Å; A379-M490 WeakPolarHBondContact CA-SD 3.42Å; A379-M490 HydrophobicContact CB-CE 3.94Å; A379-M490 HydrophobicContact CB-SD 3.6Å
380	L	96.3	Very high	81.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.8	171.3	-178.5	64.3	0	0	0	110.3	L352 F488 G489 F500 L542 I590	L352-L380 HydrophobicContact CD2-CB 3.94Å; L352-L380 HydrophobicContact CD2-CD1 3.75Å; L352-L380 HydrophobicContact CD2-CG 4.41Å; L352-L380 HydrophobicContact CG-CD1 4.32Å; L380-F488 PolarHBondContact O-N 3.04Å; L380-G489 PolarHBondContact N-O 3.06Å; L380-F500 HydrophobicContact CD1-CZ 4.13Å; L380-L542 HydrophobicContact CD2-CD1 4.02Å; L380-L542 HydrophobicContact CD2-CD2 4.01Å; L380-I590 HydrophobicContact CB-CD1 3.98Å; L380-I590 HydrophobicContact CD2-CD1 3.79Å; L380-I590 HydrophobicContact CD2-CG1 4.25Å
381	C	96.6	Very high	83.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.7	174.7	-77.6	0	0	0	0	110.9	C307 G351 F353 Y383 P482	C307-C381 WeakPolarHBondContact CA-SG 3.48Å; C307-C381 HydrophobicContact CB-CB 3.83Å; C307-C381 WeakPolarHBondContact CB-SG 3.35Å; C307-C381 WeakPolarHBondContact SG-CB 3.23Å; C307-C381 CovalentContact SG-SG 2.04Å; C307-C381 PolarHBondContact SG-SG 2.92Å; G351-C381 PolarHBondContact N-O 3.13Å; G351-C381 PolarHBondContact O-N 2.85Å; F353-C381 HydrophobicContact CD2-CB 4.15Å; F353-C381 HydrophobicContact CE2-CB 3.97Å; C381-Y383 HydrophobicContact CB-CE2 3.84Å; C381-Y383 WeakPolarHBondContact CB-OH 3.42Å; C381-P482 HydrophobicContact CB-CB 4.2Å
382	I	95.5	Very high	85.8	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.6	-178.7	-54.7	176.3	0	0	0	109.3	L348 I349 Y350 P482 E483 F488 L542	L348-I382 HydrophobicContact CB-CG2 4.31Å; L348-I382 HydrophobicContact CD1-CG2 4.3Å; L348-I382 HydrophobicContact CD2-CG2 4.1Å; L348-I382 HydrophobicContact CG-CG2 4.49Å; I349-I382 CarbonylContact O-C 3.49Å; I349-I382 VanDerWaalsContact O-CA 3.31Å; I349-I382 WeakPolarHBondContact O-CA 3.47Å; Y350-I382 HydrophobicContact CD1-CD1 3.61Å; Y350-I382 HydrophobicContact CD1-CG1 3.62Å; Y350-I382 HydrophobicContact CD1-CG2 4.46Å; Y350-I382 HydrophobicContact CE1-CD1 3.42Å; Y350-I382 VanDerWaalsContact CE1-CD1 3.42Å; Y350-I382 HydrophobicContact CE1-CG1 3.91Å; Y350-I382 HydrophobicContact CE1-CG2 4.34Å; Y350-I382 HydrophobicContact CG-CG1 4.36Å; I382-P482 CarbonylContact O-C 3.59Å; I382-P482 WeakPolarHBondContact O-CA 3.44Å; I382-P482 VanDerWaalsContact O-CB 3.32Å; I382-P482 WeakPolarHBondContact O-CB 2.92Å; I382-E483 PolarHBondContact O-N 2.77Å; I382-F488 HydrophobicContact CB-CD2 4.16Å; I382-F488 HydrophobicContact CB-CE2 3.76Å; I382-F488 HydrophobicContact CB-CZ 4.3Å; I382-F488 HydrophobicContact CD1-CD1 4.11Å; I382-F488 HydrophobicContact CD1-CD2 3.98Å; I382-F488 HydrophobicContact CD1-CE1 4.11Å; I382-F488 HydrophobicContact CD1-CE2 3.99Å; I382-F488 HydrophobicContact CD1-CG 4.04Å; I382-F488 HydrophobicContact CD1-CZ 4.04Å; I382-F488 HydrophobicContact CG1-CD2 3.91Å; I382-F488 HydrophobicContact CG1-CE2 3.97Å; I382-F488 HydrophobicContact CG1-CG 4.4Å; I382-F488 HydrophobicContact CG1-CZ 4.49Å; I382-L542 HydrophobicContact CD1-CD2 3.59Å
383	Y	95.5	Very high	87.8	Confident	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.7	-179.4	-46.8	-88.7	0	0	0	110.4	L305 V306 L348 I349 F353 C381 V480 P482	L305-Y383 HydrophobicContact CD2-CD1 3.97Å; L305-Y383 HydrophobicContact CD2-CD2 4.15Å; L305-Y383 HydrophobicContact CD2-CE1 4.06Å; L305-Y383 HydrophobicContact CD2-CE2 4.25Å; L305-Y383 HydrophobicContact CD2-CG 3.99Å; V306-Y383 PolarHBondContact O-OH 3.05Å; L348-Y383 CarbonylContact C-O 3.5Å; L348-Y383 WeakPolarHBondContact CA-O 2.96Å; I349-Y383 HydrophobicContact CB-CD2 4.43Å; I349-Y383 HydrophobicContact CG2-CD2 4.4Å; I349-Y383 PolarHBondContact N-O 2.89Å; I349-Y383 PolarHBondContact O-N 3.22Å; F353-Y383 AromaticContact CE2-CE2 3.8Å; F353-Y383 HydrophobicContact CE2-CE2 3.8Å; F353-Y383 WeakPolarHBondContact CE2-OH 3.17Å; F353-Y383 AromaticContact CZ-CE2 3.88Å; F353-Y383 HydrophobicContact CZ-CE2 3.88Å; F353-Y383 WeakPolarHBondContact CZ-OH 3.48Å; C381-Y383 HydrophobicContact CB-CE2 3.84Å; C381-Y383 WeakPolarHBondContact CB-OH 3.42Å; Y383-V480 HydrophobicContact CD1-CG1 3.88Å; Y383-P482 HydrophobicContact CD1-CB 4.29Å; Y383-P482 HydrophobicContact CE1-CB 4.07Å
384	K	92.9	Very high	89.7	Confident	49 Å²	49	29.2 Å²	29.2	21%	0.213	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.4	167.4	-79.5	-177	-176	139.7	0	110.5	D346 L348 S386 T387 V388 E483	D346-K384 VanDerWaalsContact OD2-CB 3.32Å; D346-K384 WeakPolarHBondContact OD2-CB 3.41Å; D346-K384 WeakPolarHBondContact OD2-CD 3.3Å; D346-K384 WeakPolarHBondContact OD2-CG 3.38Å; L348-K384 HydrophobicContact CD2-CG 3.67Å; K384-S386 VanDerWaalsContact C-N 3.26Å; K384-S386 PolarHBondContact O-N 3.28Å; K384-T387 WeakPolarHBondContact O-CB 3.39Å; K384-T387 PolarHBondContact O-N 3.2Å; K384-T387 VanDerWaalsContact O-N 3.07Å; K384-V388 PolarHBondContact O-N 3.47Å; K384-E483 WeakPolarHBondContact CD-OE1 3.49Å; K384-E483 WeakPolarHBondContact CE-OE1 3.18Å; K384-E483 WeakPolarHBondContact CE-OE2 3.09Å; K384-E483 HydrophobicContact CG-CG 4.27Å; K384-E483 WeakPolarHBondContact CG-OE1 3.45Å; K384-E483 IonicContact NZ-OE1 3.74Å; K384-E483 PolarHBondContact NZ-OE1 2.62Å; K384-E483 IonicContact NZ-OE2 3Å; K384-E483 PolarHBondContact NZ-OE2 2.76Å
385	L	93.2	Very high	91.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-32.5	175.9	-169.5	60.6	0	0	0	111.5	L244 Y249 I277 D346 L347 I349 T387 V388 D389	L244-L385 HydrophobicContact CD1-CD2 3.43Å; L244-L385 VanDerWaalsContact CD1-CD2 3.43Å; L244-L385 HydrophobicContact CD1-CG 4.34Å; L244-L385 HydrophobicContact CG-CD2 3.93Å; Y249-L385 HydrophobicContact CD1-CD1 3.75Å; Y249-L385 HydrophobicContact CD2-CD1 3.96Å; Y249-L385 HydrophobicContact CD2-CD2 4.09Å; Y249-L385 HydrophobicContact CE1-CD1 3.73Å; Y249-L385 HydrophobicContact CE1-CG 4.39Å; Y249-L385 HydrophobicContact CE2-CD1 3.96Å; Y249-L385 HydrophobicContact CE2-CD2 3.79Å; Y249-L385 HydrophobicContact CE2-CG 4.12Å; Y249-L385 HydrophobicContact CG-CD1 3.85Å; I277-L385 HydrophobicContact CD1-CD1 4.44Å; D346-L385 PolarHBondContact OD1-N 3.01Å; L347-L385 HydrophobicContact CB-CB 4.05Å; L347-L385 HydrophobicContact CB-CD2 3.89Å; L347-L385 HydrophobicContact CD2-CD2 3.92Å; L347-L385 VanDerWaalsContact O-CB 3.3Å; L347-L385 WeakPolarHBondContact O-CB 3.39Å; L347-L385 PolarHBondContact O-N 2.71Å; I349-L385 HydrophobicContact CD1-CD1 4.11Å; L385-T387 PolarHBondContact O-N 2.57Å; L385-V388 HydrophobicContact CD1-CB 4.27Å; L385-V388 HydrophobicContact CD1-CG2 4.4Å; L385-V388 WeakPolarHBondContact O-CB 3.45Å; L385-V388 PolarHBondContact O-N 2.76Å; L385-V388 VanDerWaalsContact O-N 3.11Å; L385-D389 PolarHBondContact O-N 3.29Å
386	S	92.2	Very high	93.1	Very high	56 Å²	56	27.6 Å²	27.6	39%	0.392	15%	0.154	S	C	.	.	H	α-helix	trans	-57.5	-34.7	170.3	66	0	0	0	0	113.5	D346 K384 D389 K390	D346-S386 PolarHBondContact OD1-N 2.99Å; D346-S386 VanDerWaalsContact OD2-CB 3.26Å; D346-S386 WeakPolarHBondContact OD2-CB 3.37Å; D346-S386 PolarHBondContact OD2-OG 3.01Å; K384-S386 VanDerWaalsContact C-N 3.26Å; K384-S386 PolarHBondContact O-N 3.28Å; S386-D389 PolarHBondContact O-N 3.27Å; S386-K390 WeakPolarHBondContact O-CB 3.39Å; S386-K390 PolarHBondContact O-N 3.2Å
387	T	94.2	Very high	94	Very high	42 Å²	42	26.8 Å²	26.8	26%	0.258	15%	0.145	S	C	.	.	H	α-helix	trans	-70.9	-37.9	176.4	-62.9	0	0	0	0	111.2	K384 L385 K390 I391 V480	K384-T387 WeakPolarHBondContact O-CB 3.39Å; K384-T387 PolarHBondContact O-N 3.2Å; K384-T387 VanDerWaalsContact O-N 3.07Å; L385-T387 PolarHBondContact O-N 2.57Å; T387-K390 PolarHBondContact O-N 2.81Å; T387-I391 HydrophobicContact CG2-CD1 4.02Å; T387-I391 WeakPolarHBondContact O-CG1 3.37Å; T387-I391 PolarHBondContact O-N 2.62Å; T387-V480 HydrophobicContact CG2-CG1 4.47Å
388	V	96.2	Very high	94.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-49.5	172.2	179.1	0	0	0	0	110	Y249 I277 K384 L385 K390 I391 I392 V480	Y249-V388 HydrophobicContact CD1-CG1 4.31Å; Y249-V388 HydrophobicContact CE1-CG1 4.32Å; I277-V388 HydrophobicContact CD1-CG1 4.03Å; I277-V388 HydrophobicContact CD1-CG2 4.14Å; I277-V388 HydrophobicContact CG1-CG1 4.25Å; I277-V388 HydrophobicContact CG2-CG1 3.8Å; I277-V388 HydrophobicContact CG2-CG2 4.35Å; K384-V388 PolarHBondContact O-N 3.47Å; L385-V388 HydrophobicContact CD1-CB 4.27Å; L385-V388 HydrophobicContact CD1-CG2 4.4Å; L385-V388 WeakPolarHBondContact O-CB 3.45Å; L385-V388 PolarHBondContact O-N 2.76Å; L385-V388 VanDerWaalsContact O-N 3.11Å; V388-K390 PolarHBondContact O-N 3.1Å; V388-I391 PolarHBondContact O-N 2.82Å; V388-I392 HydrophobicContact CG1-CD1 3.75Å; V388-I392 HydrophobicContact CG1-CG1 4.39Å; V388-I392 VanDerWaalsContact O-CG1 3.3Å; V388-I392 WeakPolarHBondContact O-CG1 3.12Å; V388-I392 PolarHBondContact O-N 2.58Å; V388-V480 HydrophobicContact CG2-CG1 3.92Å; V388-V480 HydrophobicContact CG2-CG2 4.12Å
389	D	94.4	Very high	93.8	Very high	26 Å²	26	26.7 Å²	26.7	14%	0.139	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-47.5	177.6	-101.3	-23.1	0	0	0	112.2	K247 Y249 R279 L385 S386 I391 I392 E393	K247-D389 IonicContact NZ-OD1 3.38Å; K247-D389 PolarHBondContact NZ-OD1 3.07Å; K247-D389 IonicContact NZ-OD2 3.6Å; K247-D389 PolarHBondContact NZ-OD2 3.28Å; Y249-D389 PolarHBondContact OH-OD1 3.41Å; Y249-D389 PolarHBondContact OH-OD2 2.83Å; R279-D389 WeakPolarHBondContact CD-OD1 3.46Å; R279-D389 IonicContact CZ-OD1 2.81Å; R279-D389 IonicContact NE-OD1 3.06Å; R279-D389 IonicContact NH1-OD1 2.89Å; R279-D389 PolarHBondContact NH1-OD1 2.93Å; L385-D389 PolarHBondContact O-N 3.29Å; S386-D389 PolarHBondContact O-N 3.27Å; D389-I391 VanDerWaalsContact C-N 3.32Å; D389-I391 PolarHBondContact O-N 2.96Å; D389-I392 PolarHBondContact O-N 3.05Å; D389-E393 WeakPolarHBondContact O-CB 3.35Å; D389-E393 WeakPolarHBondContact O-CG 3.33Å; D389-E393 PolarHBondContact O-N 3.15Å
390	K	94.5	Very high	93	Very high	150 Å²	150	30.4 Å²	30.4	65%	0.652	16%	0.155	S	C	*	.	H	α-helix	trans	-57.7	-44.5	177.3	-176.6	179.5	178.5	-179.1	0	111.7	S386 T387 V388 E393 S394	S386-K390 WeakPolarHBondContact O-CB 3.39Å; S386-K390 PolarHBondContact O-N 3.2Å; T387-K390 PolarHBondContact O-N 2.81Å; V388-K390 PolarHBondContact O-N 3.1Å; K390-E393 PolarHBondContact O-N 3.12Å; K390-S394 WeakPolarHBondContact O-CB 3.45Å; K390-S394 PolarHBondContact O-N 2.76Å; K390-S394 PolarHBondContact O-OG 2.87Å
391	I	96.3	Very high	92.1	Very high	22 Å²	22	32.7 Å²	32.7	11%	0.113	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-43.4	178.5	-74.5	166.4	0	0	0	110.6	T303 T387 V388 D389 E393 S394 S395 D478 S479 V480	T303-I391 HydrophobicContact CG2-CG2 4.25Å; T387-I391 HydrophobicContact CG2-CD1 4.02Å; T387-I391 WeakPolarHBondContact O-CG1 3.37Å; T387-I391 PolarHBondContact O-N 2.62Å; V388-I391 PolarHBondContact O-N 2.82Å; D389-I391 VanDerWaalsContact C-N 3.32Å; D389-I391 PolarHBondContact O-N 2.96Å; I391-E393 PolarHBondContact O-N 2.61Å; I391-S394 PolarHBondContact O-N 3.01Å; I391-S395 WeakPolarHBondContact O-CB 3.36Å; I391-S395 PolarHBondContact O-N 2.83Å; I391-D478 HydrophobicContact CG2-CB 4.23Å; I391-D478 WeakPolarHBondContact CG2-O 3.13Å; I391-S479 WeakPolarHBondContact CD1-O 3.31Å; I391-V480 HydrophobicContact CB-CG2 4.4Å; I391-V480 HydrophobicContact CD1-CB 4Å; I391-V480 HydrophobicContact CD1-CG1 4.35Å; I391-V480 HydrophobicContact CD1-CG2 3.63Å; I391-V480 HydrophobicContact CG2-CG2 4.32Å
392	I	95.1	Very high	90.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-33	178.7	-65.5	174	0	0	0	111.7	R279 F301 T303 V388 D389 R447 T457 L476	R279-I392 HydrophobicContact CB-CD1 3.43Å; R279-I392 VanDerWaalsContact CB-CD1 3.43Å; R279-I392 HydrophobicContact CG-CD1 4.44Å; R279-I392 VanDerWaalsContact CZ-CG2 3.45Å; F301-I392 HydrophobicContact CB-CG2 3.98Å; T303-I392 HydrophobicContact CG2-CG1 4.47Å; V388-I392 HydrophobicContact CG1-CD1 3.75Å; V388-I392 HydrophobicContact CG1-CG1 4.39Å; V388-I392 VanDerWaalsContact O-CG1 3.3Å; V388-I392 WeakPolarHBondContact O-CG1 3.12Å; V388-I392 PolarHBondContact O-N 2.58Å; D389-I392 PolarHBondContact O-N 3.05Å; I392-R447 PolarHBondContact O-NH1 3.4Å; I392-R447 PolarHBondContact O-NH2 3.38Å; I392-T457 HydrophobicContact CG2-CG2 4.4Å; I392-T457 WeakPolarHBondContact O-CB 3.48Å; I392-T457 WeakPolarHBondContact O-CG2 3.29Å; I392-T457 PolarHBondContact O-OG1 3.21Å; I392-L476 HydrophobicContact CB-CD1 4.09Å; I392-L476 HydrophobicContact CG1-CD1 3.77Å; I392-L476 HydrophobicContact CG2-CD1 4.3Å
393	E	92.5	Very high	89	Confident	73 Å²	73	41.4 Å²	41.4	34%	0.341	22%	0.223	S	C	.	.	H	α-helix	trans	-86	-24.5	-179.1	-70.5	175.3	-164.4	0	0	115.1	R279 D389 K390 I391 R447 T457	R279-E393 IonicContact CZ-OE1 3.91Å; R279-E393 IonicContact NH1-OE1 3.36Å; R279-E393 PolarHBondContact NH1-OE1 3.24Å; R279-E393 IonicContact NH2-OE1 3.63Å; D389-E393 WeakPolarHBondContact O-CB 3.35Å; D389-E393 WeakPolarHBondContact O-CG 3.33Å; D389-E393 PolarHBondContact O-N 3.15Å; K390-E393 PolarHBondContact O-N 3.12Å; I391-E393 PolarHBondContact O-N 2.61Å; E393-R447 VanDerWaalsContact C-NH1 3.28Å; E393-R447 PolarHBondContact O-NH1 3.47Å; E393-T457 WeakPolarHBondContact CA-OG1 3.28Å
394	S	92.8	Very high	86.4	Confident	67 Å²	67	50.3 Å²	50.3	47%	0.469	26%	0.262	S	S	.	.	H	α-helix	trans	-106.1	-28.3	-177	58.2	0	0	0	0	114.2	K390 I391	K390-S394 WeakPolarHBondContact O-CB 3.45Å; K390-S394 PolarHBondContact O-N 2.76Å; K390-S394 PolarHBondContact O-OG 2.87Å; I391-S394 PolarHBondContact O-N 3.01Å
395	S	94.2	Very high	84.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-66.8	138.6	-172.2	176.1	0	0	0	0	113.1	I391 R447 I477 D478	I391-S395 WeakPolarHBondContact O-CB 3.36Å; I391-S395 PolarHBondContact O-N 2.83Å; S395-R447 WeakPolarHBondContact O-CD 3.4Å; S395-R447 PolarHBondContact O-NE 1.99Å; S395-R447 PolarHBondContact O-NH2 2.95Å; S395-I477 PolarHBondContact OG-N 3.21Å; S395-D478 WeakPolarHBondContact CA-OD2 3.17Å; S395-D478 PolarHBondContact OG-N 2.81Å; S395-D478 PolarHBondContact OG-OD2 2.95Å
396	D	94	Very high	81.3	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.043	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58	153.2	166.7	-74.1	-14.3	0	0	0	112.2	R444 I445 S446 R447 I477	D396-R444 HydrophobicContact CB-CG 4.43Å; D396-R444 IonicContact OD2-CZ 3.87Å; D396-R444 IonicContact OD2-NE 3.96Å; D396-R444 PolarHBondContact OD2-NE 2.81Å; D396-R444 IonicContact OD2-NH2 3.55Å; D396-R444 PolarHBondContact OD2-NH2 2.93Å; D396-I445 WeakPolarHBondContact CB-O 3.32Å; D396-S446 VanDerWaalsContact CG-CA 3.49Å; D396-S446 VanDerWaalsContact OD1-CA 3.31Å; D396-S446 WeakPolarHBondContact OD1-CA 3.03Å; D396-S446 WeakPolarHBondContact OD2-CA 3.32Å; D396-R447 PolarHBondContact OD1-N 3.17Å; D396-I477 HydrophobicContact CB-CB 4.43Å; D396-I477 HydrophobicContact CB-CD1 3.78Å; D396-I477 HydrophobicContact CB-CG1 4.32Å; D396-I477 PolarHBondContact O-N 3.21Å
397	L	92	Very high	78.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147	179.5	-47.1	172	0	0	0	110	F301 I445 L456 L469 A473 L476	F301-L397 HydrophobicContact CD1-CD2 4.27Å; F301-L397 HydrophobicContact CE1-CD2 4.08Å; L397-I445 HydrophobicContact CB-CB 4.25Å; L397-I445 PolarHBondContact N-O 3.1Å; L397-I445 VanDerWaalsContact N-O 3.13Å; L397-I445 PolarHBondContact O-N 3.47Å; L397-L456 HydrophobicContact CD1-CD2 3.55Å; L397-L469 HydrophobicContact CD1-CD2 4.19Å; L397-L469 HydrophobicContact CD1-CG 4.37Å; L397-A473 HydrophobicContact CB-CB 4.07Å; L397-A473 HydrophobicContact CD1-CB 4.4Å; L397-L476 HydrophobicContact CD2-CD2 3.66Å
398	M	89.3	Confident	75.7	Confident	32 Å²	32	69.8 Å²	69.8	16%	0.158	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.8	172.6	-167.7	158.5	66.9	0	0	109.6	E258 F442 L475 I477	E258-M398 HydrophobicContact CB-CE 3.47Å; E258-M398 VanDerWaalsContact CB-CE 3.47Å; E258-M398 HydrophobicContact CB-SD 4.29Å; E258-M398 HydrophobicContact CG-CE 3.96Å; M398-F442 HydrophobicContact CE-CD1 4.33Å; M398-F442 HydrophobicContact CG-CB 3.91Å; M398-F442 HydrophobicContact CG-CD1 3.81Å; M398-F442 HydrophobicContact CG-CG 4.09Å; M398-F442 HydrophobicContact SD-CB 4.1Å; M398-F442 HydrophobicContact SD-CD1 4.22Å; M398-F442 HydrophobicContact SD-CG 4.13Å; M398-L475 HydrophobicContact CB-CG 4.5Å; M398-L475 WeakPolarHBondContact CB-O 2.8Å; M398-L475 HydrophobicContact CE-CD2 3.15Å; M398-L475 HydrophobicContact CE-CG 3.68Å; M398-L475 PolarHBondContact N-O 3.22Å; M398-I477 HydrophobicContact CB-CG1 3.93Å
399	L	87	Confident	72.9	Confident	28 Å²	28	77 Å²	77	15%	0.147	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.8	176.7	174.8	65.8	0	0	0	109.5	L401 F442 K443 I445 E472 A473	L399-L401 PolarHBondContact O-N 3.45Å; L399-F442 CarbonylContact O-C 3.6Å; L399-F442 VanDerWaalsContact O-CA 3.24Å; L399-F442 WeakPolarHBondContact O-CA 3.09Å; L399-K443 HydrophobicContact CB-CB 4.49Å; L399-K443 PolarHBondContact N-O 3.15Å; L399-K443 PolarHBondContact O-N 3.42Å; L399-I445 HydrophobicContact CB-CD1 3.83Å; L399-I445 HydrophobicContact CB-CG1 4.35Å; L399-I445 HydrophobicContact CD2-CD1 4.18Å; L399-E472 HydrophobicContact CD1-CB 3.63Å; L399-E472 WeakPolarHBondContact CD1-O 2.94Å; L399-A473 HydrophobicContact CB-CB 4.18Å; L399-A473 HydrophobicContact CD1-CB 4.22Å
400	R	79	Confident	70.1	Confident	77 Å²	77	80 Å²	80	29%	0.291	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.5	169.4	-170	-179.9	-176.4	176	6.8	109.4	N227 G441 F442	N227-R400 WeakPolarHBondContact OD1-CD 3.49Å; N227-R400 PolarHBondContact OD1-NH1 3.06Å; R400-G441 CarbonylContact C-O 3.49Å; R400-F442 HydrophobicContact CB-CD1 3.98Å; R400-F442 HydrophobicContact CB-CE1 3.67Å; R400-F442 HydrophobicContact CG-CD1 4.25Å; R400-F442 HydrophobicContact CG-CE1 3.7Å; R400-F442 HydrophobicContact CG-CZ 4.12Å
401	L	77	Confident	67.4	Low	49 Å²	49	81 Å²	81	26%	0.257	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-78	140.8	170.7	-60.2	176.5	0	0	0	108.7	L399 T403 G441 K443	L399-L401 PolarHBondContact O-N 3.45Å; L401-T403 PolarHBondContact O-N 2.78Å; L401-G441 PolarHBondContact N-O 3.46Å; L401-K443 HydrophobicContact CD1-CB 4.28Å; L401-K443 HydrophobicContact CD2-CB 3.95Å; L401-K443 HydrophobicContact CD2-CD 4.47Å; L401-K443 HydrophobicContact CG-CB 4.14Å
402	P	67.3	Low	64.9	Low	109 Å²	109	86.3 Å²	86.3	71%	0.708	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-56.9	119.1	168.9	23.2	-30.2	0	0	0	108.2	F404	P402-F404 PolarHBondContact O-N 3Å
403	T	58.4	Low	62.3	Low	79 Å²	79	92.1 Å²	92.1	49%	0.485	45%	0.453	S	S	.	.			trans	-66.2	104.7	171.1	48.4	0	0	0	0	106.7	L401 T405	L401-T403 PolarHBondContact O-N 2.78Å; T403-T405 VanDerWaalsContact C-N 3.27Å; T403-T405 PolarHBondContact O-N 2.66Å
404	F	40.8	Very low	59.7	Low	187 Å²	187	92.7 Å²	92.7	82%	0.82	46%	0.457	S	S	*	.			trans	-67.3	97.8	162.7	-154.6	-94.4	0	0	0	105.4	P402 P406	P402-F404 PolarHBondContact O-N 3Å; F404-P406 HydrophobicContact CD1-CB 4.07Å; F404-P406 HydrophobicContact CD1-CG 4.33Å; F404-P406 HydrophobicContact CE1-CB 4.01Å; F404-P406 WeakPolarHBondContact O-CD 3.37Å
405	T	45.3	Very low	57.3	Low	102 Å²	102	95.1 Å²	95.1	63%	0.626	46%	0.464	S	S	*	.			trans	-87.7	98.1	163.9	49.1	0	0	0	0	106	T403 F407	T403-T405 VanDerWaalsContact C-N 3.27Å; T403-T405 PolarHBondContact O-N 2.66Å; T405-F407 PolarHBondContact O-N 2.94Å
406	P	34.2	Very low	54.9	Low	82 Å²	82	103.7 Å²	103.7	53%	0.532	50%	0.497	S	S	.	.			trans	-74.6	73.2	168.8	33	-31.6	0	0	0	107.6	F404	F404-P406 HydrophobicContact CD1-CB 4.07Å; F404-P406 HydrophobicContact CD1-CG 4.33Å; F404-P406 HydrophobicContact CE1-CB 4.01Å; F404-P406 WeakPolarHBondContact O-CD 3.37Å
407	F	35.2	Very low	52.6	Low	162 Å²	162	106.7 Å²	106.7	71%	0.711	51%	0.512	S	S	*	.			trans	-133.6	55.5	167.4	-84.6	-66	0	0	0	108.2	T405 Y409	T405-F407 PolarHBondContact O-N 2.94Å; F407-Y409 AromaticContact CD1-CD2 3.68Å; F407-Y409 HydrophobicContact CD1-CD2 3.68Å; F407-Y409 HydrophobicContact CD1-CE2 4.22Å; F407-Y409 AromaticContact CE1-CD2 3.92Å; F407-Y409 HydrophobicContact CE1-CD2 3.92Å; F407-Y409 AromaticContact CE1-CE2 3.97Å; F407-Y409 HydrophobicContact CE1-CE2 3.97Å; F407-Y409 PolarHBondContact O-N 2.96Å
408	Y	33.6	Very low	50.5	Low	212 Å²	212	112.2 Å²	112.2	83%	0.831	54%	0.541	S	S	*	.			trans	-83.8	80.6	145.1	-147.6	-97.6	0	0	0	105.3	N410	Y408-N410 VanDerWaalsContact C-N 3.29Å; Y408-N410 WeakPolarHBondContact CD1-OD1 3.27Å; Y408-N410 PolarHBondContact O-N 2.88Å
409	Y	37.4	Very low	48.6	Very low	152 Å²	152	118.7 Å²	118.7	60%	0.596	57%	0.571	S	S	*	*			trans	-63.2	96.7	171.2	-137.7	-77.1	0	0	0	105.2	F407 E411 M414	F407-Y409 AromaticContact CD1-CD2 3.68Å; F407-Y409 HydrophobicContact CD1-CD2 3.68Å; F407-Y409 HydrophobicContact CD1-CE2 4.22Å; F407-Y409 AromaticContact CE1-CD2 3.92Å; F407-Y409 HydrophobicContact CE1-CD2 3.92Å; F407-Y409 AromaticContact CE1-CE2 3.97Å; F407-Y409 HydrophobicContact CE1-CE2 3.97Å; F407-Y409 PolarHBondContact O-N 2.96Å; Y409-E411 PolarHBondContact O-N 3.04Å; Y409-M414 HydrophobicContact CD1-CG 4.42Å; Y409-M414 HydrophobicContact CE1-CG 3.79Å; Y409-M414 HydrophobicContact CE1-SD 4Å
410	N	36.1	Very low	46.4	Very low	89 Å²	89	123.4 Å²	123.4	48%	0.476	60%	0.597	S	S	.	*			trans	-60.3	109.7	171	-78.9	-20.5	0	0	0	106.8	Y408 Q412 M413	Y408-N410 VanDerWaalsContact C-N 3.29Å; Y408-N410 WeakPolarHBondContact CD1-OD1 3.27Å; Y408-N410 PolarHBondContact O-N 2.88Å; N410-Q412 HydrophobicContact CB-CB 4.49Å; N410-Q412 PolarHBondContact O-N 2.92Å; N410-M413 PolarHBondContact O-N 3.31Å
411	E	38.7	Very low	44.6	Very low	170 Å²	170	129 Å²	129	79%	0.794	62%	0.619	S	S	*	*	H	α-helix	trans	-49.1	-27.6	170.4	-81.7	-178.9	140.5	0	0	111.6	Y409 M413 M414 N415	Y409-E411 PolarHBondContact O-N 3.04Å; E411-M413 PolarHBondContact O-N 2.85Å; E411-M413 VanDerWaalsContact O-N 3.16Å; E411-M414 PolarHBondContact O-N 2.67Å; E411-N415 PolarHBondContact O-N 2.69Å
412	Q	43.5	Very low	43.1	Very low	135 Å²	135	131.6 Å²	131.6	63%	0.631	64%	0.642	S	S	*	*	H	α-helix	trans	-62.3	-17.4	175.2	-62.9	179.8	-6	0	0	114.7	N410 R416	N410-Q412 HydrophobicContact CB-CB 4.49Å; N410-Q412 PolarHBondContact O-N 2.92Å; Q412-R416 PolarHBondContact O-N 3.31Å
413	M	41	Very low	41.9	Very low	121 Å²	121	134.5 Å²	134.5	60%	0.596	64%	0.643	S	S	*	*	H	α-helix	trans	-88.4	-32.4	178.8	-162.8	163.4	158.2	0	0	112.2	N410 E411 N415 R416 I417	N410-M413 PolarHBondContact O-N 3.31Å; E411-M413 PolarHBondContact O-N 2.85Å; E411-M413 VanDerWaalsContact O-N 3.16Å; M413-N415 VanDerWaalsContact C-N 3.33Å; M413-R416 PolarHBondContact O-N 2.79Å; M413-I417 HydrophobicContact CG-CD1 4.25Å; M413-I417 VanDerWaalsContact O-CG1 3.27Å; M413-I417 WeakPolarHBondContact O-CG1 3.37Å; M413-I417 PolarHBondContact O-N 2.85Å
414	M	36.7	Very low	40.8	Very low	86 Å²	86	140.3 Å²	140.3	42%	0.424	66%	0.662	S	S	.	*	H	α-helix	trans	-68.3	-34.7	171.5	-68.2	-63.4	-102.3	0	0	111.5	Y409 E411 R416 I417 N418	Y409-M414 HydrophobicContact CD1-CG 4.42Å; Y409-M414 HydrophobicContact CE1-CG 3.79Å; Y409-M414 HydrophobicContact CE1-SD 4Å; E411-M414 PolarHBondContact O-N 2.67Å; M414-R416 VanDerWaalsContact C-N 3.28Å; M414-R416 PolarHBondContact O-N 3.26Å; M414-I417 PolarHBondContact O-N 3.35Å; M414-I417 HydrophobicContact SD-CD1 4.26Å; M414-N418 PolarHBondContact O-N 2.98Å
415	N	42.9	Very low	40.7	Very low	117 Å²	117	139.6 Å²	139.6	63%	0.626	67%	0.667	S	S	*	*	H	α-helix	trans	-66	-31.1	172.4	-75	-3.5	0	0	0	112.4	E411 M413	E411-N415 PolarHBondContact O-N 2.69Å; M413-N415 VanDerWaalsContact C-N 3.33Å
416	R	42.9	Very low	40.4	Very low	181 Å²	181	140.3 Å²	140.3	68%	0.683	67%	0.667	S	S	*	*	H	α-helix	trans	-78.8	-27.4	173.9	-80.8	-166.4	-88.6	-167.5	-6.6	114	Q412 M413 M414	Q412-R416 PolarHBondContact O-N 3.31Å; M413-R416 PolarHBondContact O-N 2.79Å; M414-R416 VanDerWaalsContact C-N 3.28Å; M414-R416 PolarHBondContact O-N 3.26Å
417	I	45.8	Very low	40.7	Very low	71 Å²	71	145.5 Å²	145.5	36%	0.364	68%	0.684	S	S	.	*	H	α-helix	trans	-73.9	-33.5	175.5	-69.3	163.6	0	0	0	110.5	M413 M414 E419 Y421	M413-I417 HydrophobicContact CG-CD1 4.25Å; M413-I417 VanDerWaalsContact O-CG1 3.27Å; M413-I417 WeakPolarHBondContact O-CG1 3.37Å; M413-I417 PolarHBondContact O-N 2.85Å; M414-I417 PolarHBondContact O-N 3.35Å; M414-I417 HydrophobicContact SD-CD1 4.26Å; I417-E419 VanDerWaalsContact C-N 3.35Å; I417-E419 PolarHBondContact O-N 3.11Å; I417-Y421 HydrophobicContact CG2-CE2 3.66Å; I417-Y421 WeakPolarHBondContact O-CD2 3.15Å; I417-Y421 WeakPolarHBondContact O-CE2 3.44Å
418	N	47.5	Very low	41	Very low	115 Å²	115	141.4 Å²	141.4	62%	0.615	68%	0.675	S	S	*	*	H	α-helix	trans	-74.3	-17.9	179.9	-73.7	-9.8	0	0	0	114.8	M414	M414-N418 PolarHBondContact O-N 2.98Å
419	E	49.3	Very low	41.1	Very low	168 Å²	168	138.5 Å²	138.5	79%	0.785	67%	0.669	S	S	*	*	H	α-helix	trans	-91.5	-13.9	179.9	-70.9	-159.4	158.7	0	0	115.1	I417	I417-E419 VanDerWaalsContact C-N 3.35Å; I417-E419 PolarHBondContact O-N 3.11Å
420	N	41.8	Very low	41.1	Very low	128 Å²	128	139.2 Å²	139.2	68%	0.684	68%	0.682	S	S	*	*			trans	-115.7	23.9	-174.9	-78.8	-20.6	0	0	0	115.3	S422	N420-S422 PolarHBondContact O-N 3.18Å
421	Y	41.1	Very low	41	Very low	194 Å²	194	142.7 Å²	142.7	76%	0.761	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	30.6	170.4	-89.5	-72.8	0	0	0	114.8	I417	I417-Y421 HydrophobicContact CG2-CE2 3.66Å; I417-Y421 WeakPolarHBondContact O-CD2 3.15Å; I417-Y421 WeakPolarHBondContact O-CE2 3.44Å
422	S	44.7	Very low	40.8	Very low	104 Å²	104	142.3 Å²	142.3	73%	0.727	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	-13.1	172.9	63.8	0	0	0	0	115.2	N420	N420-S422 PolarHBondContact O-N 3.18Å
423	K	42.1	Very low	40.5	Very low	169 Å²	169	144.3 Å²	144.3	74%	0.735	71%	0.705	S	S	*	*	S	Bend	trans	-153.8	107.4	174.9	-71.2	-178.5	179.7	166.8	0	109.4
424	F	35.2	Very low	40	Very low	202 Å²	202	143.1 Å²	143.1	89%	0.886	71%	0.708	S	S	*	*			trans	165.7	87.5	141.1	-89.3	-68	0	0	0	108.3	D426	F424-D426 VanDerWaalsContact C-N 3.31Å; F424-D426 PolarHBondContact O-N 3.47Å; F424-D426 VanDerWaalsContact O-N 3.12Å
425	N	40.4	Very low	39.7	Very low	172 Å²	172	150.5 Å²	150.5	92%	0.92	73%	0.731	S	S	*	*			trans	-72.1	88.4	161.1	-88.5	2.6	0	0	0	107.7
426	D	37.7	Very low	39.5	Very low	117 Å²	117	151.1 Å²	151.1	63%	0.626	73%	0.73	S	S	*	*			trans	-161.2	90.9	156.6	-118.9	-29.4	0	0	0	109.3	F424 S428	F424-D426 VanDerWaalsContact C-N 3.31Å; F424-D426 PolarHBondContact O-N 3.47Å; F424-D426 VanDerWaalsContact O-N 3.12Å; D426-S428 PolarHBondContact O-N 3.22Å; D426-S428 PolarHBondContact OD1-OG 2.74Å
427	E	41	Very low	39.3	Very low	191 Å²	191	153.6 Å²	153.6	89%	0.893	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	10.9	178.1	-70	-170.4	146.3	0	0	113.6
428	S	40.9	Very low	39.2	Very low	75 Å²	75	159.7 Å²	159.7	52%	0.524	76%	0.759	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	-12.6	-169.4	59.3	0	0	0	0	115.3	D426	D426-S428 PolarHBondContact O-N 3.22Å; D426-S428 PolarHBondContact OD1-OG 2.74Å
429	H	35.2	Very low	39.1	Very low	151 Å²	151	158.6 Å²	158.6	70%	0.699	76%	0.756	S	S	*	*	S	Bend	trans	-110.4	-0.2	-172.2	-75.1	-66.2	0	0	0	117.2
430	L	39	Very low	39.5	Very low	167 Å²	167	154.8 Å²	154.8	87%	0.874	74%	0.741	S	S	*	*	S	Bend	trans	-93.8	-0.7	177.8	-75	170.6	0	0	0	115.1
431	F	33	Very low	41	Very low	162 Å²	162	149 Å²	149	71%	0.711	71%	0.712	S	S	*	*			trans	-106	59.5	172.2	-57.4	-74.4	0	0	0	111	H433	F431-H433 VanDerWaalsContact C-N 3.33Å; F431-H433 PolarHBondContact O-N 3.1Å
432	L	35.6	Very low	43	Very low	163 Å²	163	141.4 Å²	141.4	85%	0.853	68%	0.683	S	S	*	*			trans	-55.5	104.4	157.3	-97.9	144.5	0	0	0	107.2	C434	L432-C434 PolarHBondContact O-N 2.77Å
433	H	35.6	Very low	45	Very low	176 Å²	176	142 Å²	142	82%	0.815	67%	0.672	S	S	*	*			trans	-60.6	70	179.3	-76.2	-34	0	0	0	112.2	F431 R435	F431-H433 VanDerWaalsContact C-N 3.33Å; F431-H433 PolarHBondContact O-N 3.1Å; H433-R435 PolarHBondContact O-N 2.83Å
434	C	31.9	Very low	47.3	Very low	97 Å²	97	141.4 Å²	141.4	66%	0.655	67%	0.666	S	S	*	*			trans	-71.7	80.4	149.9	-90.2	0	0	0	0	107.2	L432 H436	L432-C434 PolarHBondContact O-N 2.77Å; C434-H436 PolarHBondContact O-N 3.21Å
435	R	29.8	Very low	49.9	Very low	241 Å²	241	132.7 Å²	132.7	91%	0.909	63%	0.628	S	S	*	*			trans	-62	82.1	153.4	-96.2	-176.9	177.2	160.6	0.4	106.1	H433 R437	H433-R435 PolarHBondContact O-N 2.83Å; R435-R437 VanDerWaalsContact C-N 3.29Å; R435-R437 PolarHBondContact O-N 2.95Å
436	H	39.2	Very low	52.3	Low	130 Å²	130	126.1 Å²	126.1	60%	0.602	60%	0.596	S	S	*	*			trans	-56.3	105.2	161.2	-73.1	-68.4	0	0	0	105.2	C434 Y438	C434-H436 PolarHBondContact O-N 3.21Å; H436-Y438 WeakPolarHBondContact O-CD2 3.49Å; H436-Y438 PolarHBondContact O-N 3.16Å
437	R	38.2	Very low	54.7	Low	232 Å²	232	121.1 Å²	121.1	88%	0.875	57%	0.568	S	S	*	*			trans	-58.7	99.2	165.3	-167	178.8	-163.8	128.1	0.3	103.6	R435 T439	R435-R437 VanDerWaalsContact C-N 3.29Å; R435-R437 PolarHBondContact O-N 2.95Å; R437-T439 PolarHBondContact O-N 2.87Å
438	Y	43.3	Very low	56.9	Low	200 Å²	200	119.2 Å²	119.2	78%	0.784	56%	0.564	S	S	*	*			trans	-56.4	89.1	169.6	-66.1	-85.9	0	0	0	105.6	H436 N440	H436-Y438 WeakPolarHBondContact O-CD2 3.49Å; H436-Y438 PolarHBondContact O-N 3.16Å; Y438-N440 PolarHBondContact O-N 2.72Å
439	T	46.4	Very low	59.1	Low	92 Å²	92	122.7 Å²	122.7	56%	0.564	57%	0.57	S	S	*	*			trans	-56.5	126.7	155.5	56.5	0	0	0	0	103.1	R437 G441	R437-T439 PolarHBondContact O-N 2.87Å; T439-G441 PolarHBondContact O-N 3.11Å
440	N	56.4	Low	61.7	Low	88 Å²	88	119 Å²	119	47%	0.471	55%	0.55	S	S	.	*			trans	-61.6	35.9	-169.5	-69.3	-14.5	0	0	0	114.3	L261 Y438 F442	L261-N440 WeakPolarHBondContact CD1-O 3.45Å; Y438-N440 PolarHBondContact O-N 2.72Å; N440-F442 WeakPolarHBondContact O-CD2 3.37Å; N440-F442 PolarHBondContact O-N 2.77Å
441	G	74.1	Confident	63.7	Low	7 Å²	7	116.1 Å²	116.1	7%	0.072	54%	0.541	C	S	.	.	S	Bend	trans	62.3	0.3	-177.2	0	0	0	0	0	114.1	R400 L401 T439	R400-G441 CarbonylContact C-O 3.49Å; L401-G441 PolarHBondContact N-O 3.46Å; T439-G441 PolarHBondContact O-N 3.11Å
442	F	82.7	Confident	66.1	Low	33 Å²	33	114.6 Å²	114.6	15%	0.145	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.6	-173.8	-63.8	-79.3	0	0	0	111.4	I257 E258 M398 L399 R400 N440	I257-F442 HydrophobicContact CB-CZ 4.04Å; I257-F442 HydrophobicContact CD1-CE1 3.97Å; I257-F442 HydrophobicContact CD1-CZ 3.72Å; I257-F442 HydrophobicContact CG1-CE1 4.28Å; I257-F442 HydrophobicContact CG1-CZ 3.7Å; I257-F442 WeakPolarHBondContact O-CE2 3.46Å; E258-F442 VanDerWaalsContact CA-CE2 3.45Å; E258-F442 HydrophobicContact CB-CD2 4.28Å; E258-F442 HydrophobicContact CB-CE2 4.1Å; E258-F442 HydrophobicContact CB-CZ 4.37Å; M398-F442 HydrophobicContact CE-CD1 4.33Å; M398-F442 HydrophobicContact CG-CB 3.91Å; M398-F442 HydrophobicContact CG-CD1 3.81Å; M398-F442 HydrophobicContact CG-CG 4.09Å; M398-F442 HydrophobicContact SD-CB 4.1Å; M398-F442 HydrophobicContact SD-CD1 4.22Å; M398-F442 HydrophobicContact SD-CG 4.13Å; L399-F442 CarbonylContact O-C 3.6Å; L399-F442 VanDerWaalsContact O-CA 3.24Å; L399-F442 WeakPolarHBondContact O-CA 3.09Å; R400-F442 HydrophobicContact CB-CD1 3.98Å; R400-F442 HydrophobicContact CB-CE1 3.67Å; R400-F442 HydrophobicContact CG-CD1 4.25Å; R400-F442 HydrophobicContact CG-CE1 3.7Å; R400-F442 HydrophobicContact CG-CZ 4.12Å; N440-F442 WeakPolarHBondContact O-CD2 3.37Å; N440-F442 PolarHBondContact O-N 2.77Å
443	K	87	Confident	68.5	Low	117 Å²	117	106.9 Å²	106.9	51%	0.509	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.1	173.7	179.8	178.9	179.2	-178.6	0	109.2	L399 L401	L399-K443 HydrophobicContact CB-CB 4.49Å; L399-K443 PolarHBondContact N-O 3.15Å; L399-K443 PolarHBondContact O-N 3.42Å; L401-K443 HydrophobicContact CD1-CB 4.28Å; L401-K443 HydrophobicContact CD2-CB 3.95Å; L401-K443 HydrophobicContact CD2-CD 4.47Å; L401-K443 HydrophobicContact CG-CB 4.14Å
444	R	90.2	Very high	70.7	Confident	156 Å²	156	105.6 Å²	105.6	59%	0.589	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	130	169.5	169.4	165.5	-169.7	174.4	5.2	109.9	D396 I477	D396-R444 HydrophobicContact CB-CG 4.43Å; D396-R444 IonicContact OD2-CZ 3.87Å; D396-R444 IonicContact OD2-NE 3.96Å; D396-R444 PolarHBondContact OD2-NE 2.81Å; D396-R444 IonicContact OD2-NH2 3.55Å; D396-R444 PolarHBondContact OD2-NH2 2.93Å; R444-I477 HydrophobicContact CB-CD1 3.63Å; R444-I477 VanDerWaalsContact CD-CD1 3.46Å; R444-I477 HydrophobicContact CG-CD1 3.29Å
445	I	90.4	Very high	73.2	Confident	19 Å²	19	104.2 Å²	104.2	10%	0.097	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.9	171.8	-57.6	176.4	0	0	0	107.2	D396 L397 L399 R447 Y450 L453 L469 A473	D396-I445 WeakPolarHBondContact CB-O 3.32Å; L397-I445 HydrophobicContact CB-CB 4.25Å; L397-I445 PolarHBondContact N-O 3.1Å; L397-I445 VanDerWaalsContact N-O 3.13Å; L397-I445 PolarHBondContact O-N 3.47Å; L399-I445 HydrophobicContact CB-CD1 3.83Å; L399-I445 HydrophobicContact CB-CG1 4.35Å; L399-I445 HydrophobicContact CD2-CD1 4.18Å; I445-R447 PolarHBondContact O-N 2.81Å; I445-Y450 HydrophobicContact CG2-CD2 4.04Å; I445-Y450 HydrophobicContact CG2-CE2 4.23Å; I445-L453 HydrophobicContact CG2-CD1 3.66Å; I445-L469 HydrophobicContact CD1-CD1 3.65Å; I445-A473 HydrophobicContact CD1-CB 4.47Å
446	S	91	Very high	75.9	Confident	34 Å²	34	93.5 Å²	93.5	24%	0.238	43%	0.43	C	S	.	.			trans	-76.8	121.4	-178.7	-176.2	0	0	0	0	111.7	D396 N448 K449 Y450	D396-S446 VanDerWaalsContact CG-CA 3.49Å; D396-S446 VanDerWaalsContact OD1-CA 3.31Å; D396-S446 WeakPolarHBondContact OD1-CA 3.03Å; D396-S446 WeakPolarHBondContact OD2-CA 3.32Å; S446-N448 VanDerWaalsContact C-N 3.27Å; S446-N448 PolarHBondContact O-N 3.35Å; S446-K449 PolarHBondContact O-N 2.93Å; S446-Y450 VanDerWaalsContact O-CD2 3.24Å; S446-Y450 WeakPolarHBondContact O-CD2 3.42Å
447	R	87.7	Confident	78.4	Confident	13 Å²	13	87.4 Å²	87.4	5%	0.049	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.7	175.4	-70.3	-167.7	-168.3	-164	11.6	111.9	I392 E393 S395 D396 I445 K449 Y450 T457	I392-R447 PolarHBondContact O-NH1 3.4Å; I392-R447 PolarHBondContact O-NH2 3.38Å; E393-R447 VanDerWaalsContact C-NH1 3.28Å; E393-R447 PolarHBondContact O-NH1 3.47Å; S395-R447 WeakPolarHBondContact O-CD 3.4Å; S395-R447 PolarHBondContact O-NE 1.99Å; S395-R447 PolarHBondContact O-NH2 2.95Å; D396-R447 PolarHBondContact OD1-N 3.17Å; I445-R447 PolarHBondContact O-N 2.81Å; R447-K449 PolarHBondContact O-N 3.04Å; R447-Y450 CarbonylContact O-C 3.55Å; R447-Y450 PolarHBondContact O-N 3.08Å; R447-Y450 VanDerWaalsContact O-N 3.1Å; R447-Y450 VanDerWaalsContact O-O 3.13Å; R447-T457 PolarHBondContact NH1-OG1 3.12Å
448	N	86.9	Confident	80.8	Confident	150 Å²	150	80.6 Å²	80.6	80%	0.802	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.2	178	-67.9	-11.4	0	0	0	112.2	S446	S446-N448 VanDerWaalsContact C-N 3.27Å; S446-N448 PolarHBondContact O-N 3.35Å
449	K	88.6	Confident	83	Confident	149 Å²	149	73 Å²	73	65%	0.648	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.6	177	-172.3	173.5	180	178.2	0	113.1	S446 R447	S446-K449 PolarHBondContact O-N 2.93Å; R447-K449 PolarHBondContact O-N 3.04Å
450	Y	87.9	Confident	84.4	Confident	74 Å²	74	72 Å²	72	29%	0.29	35%	0.349	S	S	.	.			trans	-128.2	87.3	-172.5	-59.9	-69	0	0	0	110.5	I445 S446 R447 Y452 L453	I445-Y450 HydrophobicContact CG2-CD2 4.04Å; I445-Y450 HydrophobicContact CG2-CE2 4.23Å; S446-Y450 VanDerWaalsContact O-CD2 3.24Å; S446-Y450 WeakPolarHBondContact O-CD2 3.42Å; R447-Y450 CarbonylContact O-C 3.55Å; R447-Y450 PolarHBondContact O-N 3.08Å; R447-Y450 VanDerWaalsContact O-N 3.1Å; R447-Y450 VanDerWaalsContact O-O 3.13Å; Y450-Y452 AromaticContact CD1-CE1 3.74Å; Y450-Y452 HydrophobicContact CD1-CE1 3.74Å; Y450-Y452 AromaticContact CD1-CZ 3.9Å; Y450-Y452 WeakPolarHBondContact CD1-OH 3.33Å; Y450-Y452 HydrophobicContact CG-CE1 4.14Å; Y450-Y452 PolarHBondContact O-N 2.77Å; Y450-Y452 VanDerWaalsContact O-N 3.09Å; Y450-L453 HydrophobicContact CD2-CD1 4.14Å; Y450-L453 HydrophobicContact CG-CD1 4.22Å; Y450-L453 WeakPolarHBondContact O-CB 3.3Å; Y450-L453 PolarHBondContact O-N 3.42Å
451	P	82.1	Confident	85	Confident	105 Å²	105	68.7 Å²	68.7	68%	0.682	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-55.8	-31.9	-174.5	-27.4	34.5	0	0	0	114.4	L453 K454	P451-L453 PolarHBondContact O-N 2.93Å; P451-K454 VanDerWaalsContact O-CB 3.24Å; P451-K454 WeakPolarHBondContact O-CB 3.49Å; P451-K454 PolarHBondContact O-N 3.28Å; P451-K454 VanDerWaalsContact O-N 3.09Å
452	Y	82.8	Confident	84.6	Confident	131 Å²	131	71.6 Å²	71.6	51%	0.514	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-65	-16.5	177.1	63.5	-97.4	0	0	0	113.5	Y450 N466	Y450-Y452 AromaticContact CD1-CE1 3.74Å; Y450-Y452 HydrophobicContact CD1-CE1 3.74Å; Y450-Y452 AromaticContact CD1-CZ 3.9Å; Y450-Y452 WeakPolarHBondContact CD1-OH 3.33Å; Y450-Y452 HydrophobicContact CG-CE1 4.14Å; Y450-Y452 PolarHBondContact O-N 2.77Å; Y450-Y452 VanDerWaalsContact O-N 3.09Å; Y452-N466 WeakPolarHBondContact CD2-ND2 3.24Å; Y452-N466 WeakPolarHBondContact CE2-ND2 3.09Å
453	L	85.7	Confident	83.5	Confident	1 Å²	1	75 Å²	75	1%	0.005	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-84.5	-10.3	174.9	-60.4	-176.2	0	0	0	113.5	I445 Y450 P451 N455 L456 L469	I445-L453 HydrophobicContact CG2-CD1 3.66Å; Y450-L453 HydrophobicContact CD2-CD1 4.14Å; Y450-L453 HydrophobicContact CG-CD1 4.22Å; Y450-L453 WeakPolarHBondContact O-CB 3.3Å; Y450-L453 PolarHBondContact O-N 3.42Å; P451-L453 PolarHBondContact O-N 2.93Å; L453-N455 PolarHBondContact O-N 3.04Å; L453-N455 VanDerWaalsContact O-N 3.12Å; L453-L456 HydrophobicContact CD2-CD2 4.37Å; L453-L456 VanDerWaalsContact O-CB 3.27Å; L453-L456 WeakPolarHBondContact O-CB 3.06Å; L453-L456 PolarHBondContact O-N 3.41Å; L453-L469 HydrophobicContact CD1-CD2 4.19Å; L453-L469 HydrophobicContact CD2-CD2 3.56Å
454	K	81.7	Confident	82	Confident	148 Å²	148	72.7 Å²	72.7	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.2	-175.2	-173	174.6	-177.2	177.5	0	113.2	P451	P451-K454 VanDerWaalsContact O-CB 3.24Å; P451-K454 WeakPolarHBondContact O-CB 3.49Å; P451-K454 PolarHBondContact O-N 3.28Å; P451-K454 VanDerWaalsContact O-N 3.09Å
455	N	84.8	Confident	80.7	Confident	69 Å²	69	69.8 Å²	69.8	37%	0.369	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-2.4	-179.8	-64.2	-28.1	0	0	0	113.4	L453 T457 K458 L462	L453-N455 PolarHBondContact O-N 3.04Å; L453-N455 VanDerWaalsContact O-N 3.12Å; N455-T457 PolarHBondContact O-N 3.28Å; N455-K458 HydrophobicContact CB-CD 4.17Å; N455-K458 WeakPolarHBondContact O-CB 3.42Å; N455-K458 PolarHBondContact O-N 2.64Å; N455-K458 WeakPolarHBondContact OD1-CD 3.49Å; N455-K458 VanDerWaalsContact OD1-CE 3.28Å; N455-K458 WeakPolarHBondContact OD1-CE 3.48Å; N455-K458 PolarHBondContact OD1-NZ 2.96Å; N455-L462 HydrophobicContact CB-CD1 3.71Å; N455-L462 WeakPolarHBondContact O-CD1 3.22Å
456	L	87.9	Confident	80	Confident	16 Å²	16	71.5 Å²	71.5	8%	0.084	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-39.7	-171.1	-177.2	72.2	0	0	0	113	F301 L397 L453 N466 L469	F301-L456 HydrophobicContact CE1-CD2 4.19Å; F301-L456 HydrophobicContact CZ-CD2 4.03Å; F301-L456 HydrophobicContact CZ-CG 3.97Å; L397-L456 HydrophobicContact CD1-CD2 3.55Å; L453-L456 HydrophobicContact CD2-CD2 4.37Å; L453-L456 VanDerWaalsContact O-CB 3.27Å; L453-L456 WeakPolarHBondContact O-CB 3.06Å; L453-L456 PolarHBondContact O-N 3.41Å; L456-N466 HydrophobicContact CD1-CB 4.21Å; L456-L469 HydrophobicContact CD2-CD2 4.47Å
457	T	90.4	Very high	79.5	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.006	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.2	-176.4	57.3	0	0	0	0	114.2	R279 F301 I392 E393 R447 N455	R279-T457 PolarHBondContact NH2-O 2.83Å; F301-T457 HydrophobicContact CD1-CG2 3.77Å; F301-T457 HydrophobicContact CD2-CG2 3.56Å; F301-T457 HydrophobicContact CE1-CG2 3.78Å; F301-T457 HydrophobicContact CE2-CG2 3.58Å; F301-T457 HydrophobicContact CG-CG2 3.67Å; F301-T457 HydrophobicContact CZ-CG2 3.69Å; I392-T457 HydrophobicContact CG2-CG2 4.4Å; I392-T457 WeakPolarHBondContact O-CB 3.48Å; I392-T457 WeakPolarHBondContact O-CG2 3.29Å; I392-T457 PolarHBondContact O-OG1 3.21Å; E393-T457 WeakPolarHBondContact CA-OG1 3.28Å; R447-T457 PolarHBondContact NH1-OG1 3.12Å; N455-T457 PolarHBondContact O-N 3.28Å
458	K	88.8	Confident	79.4	Confident	90 Å²	90	78.8 Å²	78.8	39%	0.391	41%	0.409	S	S	.	.			trans	-67	143.4	-173	-71.8	-174.2	175	173.3	0	112.4	N455 G461	N455-K458 HydrophobicContact CB-CD 4.17Å; N455-K458 WeakPolarHBondContact O-CB 3.42Å; N455-K458 PolarHBondContact O-N 2.64Å; N455-K458 WeakPolarHBondContact OD1-CD 3.49Å; N455-K458 VanDerWaalsContact OD1-CE 3.28Å; N455-K458 WeakPolarHBondContact OD1-CE 3.48Å; N455-K458 PolarHBondContact OD1-NZ 2.96Å; K458-G461 VanDerWaalsContact O-CA 3.25Å; K458-G461 WeakPolarHBondContact O-CA 3.4Å; K458-G461 PolarHBondContact O-N 3.44Å
459	C	89.2	Confident	79.4	Confident	41 Å²	41	73.1 Å²	73.1	28%	0.277	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	146.6	168.9	-61.3	0	0	0	0	111	K247 C281	K247-C459 HydrophobicContact CG-CB 4.46Å; C281-C459 HydrophobicContact CB-CB 3.76Å; C281-C459 WeakPolarHBondContact CB-SG 3.4Å; C281-C459 WeakPolarHBondContact SG-CA 3.46Å; C281-C459 WeakPolarHBondContact SG-CB 3.38Å; C281-C459 CovalentContact SG-SG 2.03Å; C281-C459 PolarHBondContact SG-SG 3.46Å
460	P	76.5	Confident	79.3	Confident	70 Å²	70	66.1 Å²	66.1	46%	0.455	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	cis	-78.5	2.3	7.9	29.4	-34.6	0	0	0	116.7	E283 D284	E283-P460 CarbonylContact C-O 3.45Å; E283-P460 HydrophobicContact CB-CB 3.57Å; E283-P460 WeakPolarHBondContact OE2-CB 3.39Å; D284-P460 WeakPolarHBondContact CA-O 3.46Å; D284-P460 PolarHBondContact N-O 2.98Å
461	G	69.7	Low	79.3	Confident	19 Å²	19	63.2 Å²	63.2	20%	0.196	34%	0.337	C	S	.	.			trans	108	140.3	-179.2	0	0	0	0	0	111.9	K458	K458-G461 VanDerWaalsContact O-CA 3.25Å; K458-G461 WeakPolarHBondContact O-CA 3.4Å; K458-G461 PolarHBondContact O-N 3.44Å
462	L	64.8	Low	79.5	Confident	67 Å²	67	61.9 Å²	61.9	35%	0.351	32%	0.322	S	S	.	.			trans	-73.4	151.8	180	-80.9	99.1	0	0	0	112.9	N455	N455-L462 HydrophobicContact CB-CD1 3.71Å; N455-L462 WeakPolarHBondContact O-CD1 3.22Å
463	T	59.4	Low	79.8	Confident	105 Å²	105	55.7 Å²	55.7	64%	0.644	30%	0.298	S	S	*	.	S	Bend	trans	-80.7	-23.3	-172.9	42.2	0	0	0	0	115.9	K285 K467	K285-T463 HydrophobicContact CG-CG2 4.47Å; T463-K467 WeakPolarHBondContact O-CE 3.28Å; T463-K467 PolarHBondContact O-NZ 2.7Å
464	A	56.3	Low	80	Confident	68 Å²	68	55.9 Å²	55.9	56%	0.562	30%	0.299	S	S	*	.	S	Bend	trans	-151.5	-49.5	-173.3	0	0	0	0	0	118.4	N466	A464-N466 PolarHBondContact O-N 2.75Å
465	T	62.1	Low	80.5	Confident	96 Å²	96	49.3 Å²	49.3	59%	0.589	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	116.6	-166.2	55.1	0	0	0	0	110.9
466	N	74.7	Confident	80.9	Confident	55 Å²	55	46.3 Å²	46.3	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	24.2	175.1	-42.7	-53	0	0	0	118.1	Y452 L456 A464 R468 L469 S470	Y452-N466 WeakPolarHBondContact CD2-ND2 3.24Å; Y452-N466 WeakPolarHBondContact CE2-ND2 3.09Å; L456-N466 HydrophobicContact CD1-CB 4.21Å; A464-N466 PolarHBondContact O-N 2.75Å; N466-R468 PolarHBondContact O-N 2.85Å; N466-L469 HydrophobicContact CB-CB 4.07Å; N466-L469 WeakPolarHBondContact O-CB 3.36Å; N466-L469 PolarHBondContact O-N 3.25Å; N466-S470 PolarHBondContact O-N 3.23Å
467	K	82	Confident	81.2	Confident	50 Å²	50	47.9 Å²	47.9	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-54.3	-35.3	171.1	-65.5	-173.7	177.7	-171.8	0	113.5	G286 F287 T298 T463 S470 L471	G286-K467 WeakPolarHBondContact O-CE 3.36Å; G286-K467 PolarHBondContact O-NZ 3.49Å; F287-K467 HydrophobicContact CB-CB 4.32Å; F287-K467 HydrophobicContact CB-CD 4.45Å; F287-K467 HydrophobicContact CD2-CB 3.61Å; F287-K467 HydrophobicContact CD2-CD 4.05Å; F287-K467 HydrophobicContact CD2-CG 4.5Å; F287-K467 HydrophobicContact CE2-CB 4.42Å; F287-K467 HydrophobicContact CG-CB 4.37Å; T298-K467 HydrophobicContact CG2-CB 3.92Å; T298-K467 HydrophobicContact CG2-CD 4.29Å; T298-K467 HydrophobicContact CG2-CG 4.03Å; T463-K467 WeakPolarHBondContact O-CE 3.28Å; T463-K467 PolarHBondContact O-NZ 2.7Å; K467-S470 PolarHBondContact O-N 3.01Å; K467-S470 PolarHBondContact O-OG 2.98Å; K467-L471 PolarHBondContact O-N 3.43Å
468	R	84.6	Confident	81.4	Confident	149 Å²	149	51.1 Å²	51.1	56%	0.562	28%	0.28	S	S	*	.	H	α-helix	trans	-65.7	-39.1	176.5	-177.2	172.5	178.8	150.7	2.7	112.3	N466 S470 L471 E472	N466-R468 PolarHBondContact O-N 2.85Å; R468-S470 VanDerWaalsContact C-N 3.33Å; R468-S470 PolarHBondContact O-N 3.39Å; R468-L471 WeakPolarHBondContact O-CB 3.17Å; R468-L471 PolarHBondContact O-N 3.42Å; R468-E472 HydrophobicContact CG-CG 4.49Å; R468-E472 IonicContact CZ-OE1 3.86Å; R468-E472 IonicContact NE-OE1 2.67Å; R468-E472 PolarHBondContact NE-OE1 3.11Å; R468-E472 IonicContact NH2-OE1 2.73Å; R468-E472 PolarHBondContact NH2-OE1 3.3Å; R468-E472 PolarHBondContact O-N 3.34Å; R468-E472 VanDerWaalsContact O-N 3.1Å
469	L	87.1	Confident	81.8	Confident	32 Å²	32	48.1 Å²	48.1	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-38.2	-180	-178.8	63	0	0	0	111.6	L397 I445 L453 L456 N466 L471 E472 A473	L397-L469 HydrophobicContact CD1-CD2 4.19Å; L397-L469 HydrophobicContact CD1-CG 4.37Å; I445-L469 HydrophobicContact CD1-CD1 3.65Å; L453-L469 HydrophobicContact CD1-CD2 4.19Å; L453-L469 HydrophobicContact CD2-CD2 3.56Å; L456-L469 HydrophobicContact CD2-CD2 4.47Å; N466-L469 HydrophobicContact CB-CB 4.07Å; N466-L469 WeakPolarHBondContact O-CB 3.36Å; N466-L469 PolarHBondContact O-N 3.25Å; L469-L471 VanDerWaalsContact C-N 3.25Å; L469-L471 PolarHBondContact O-N 2.92Å; L469-E472 PolarHBondContact O-N 3.23Å; L469-A473 HydrophobicContact CD1-CB 3.98Å; L469-A473 WeakPolarHBondContact O-CB 3.23Å; L469-A473 PolarHBondContact O-N 2.94Å
470	S	87.4	Confident	82.1	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-28.4	177.4	56.9	0	0	0	0	113	T298 N466 K467 R468	T298-S470 WeakPolarHBondContact CA-OG 3.25Å; T298-S470 WeakPolarHBondContact CB-OG 3.49Å; T298-S470 WeakPolarHBondContact O-CB 3.37Å; T298-S470 PolarHBondContact O-OG 3.37Å; T298-S470 VanDerWaalsContact O-OG 3.08Å; N466-S470 PolarHBondContact O-N 3.23Å; K467-S470 PolarHBondContact O-N 3.01Å; K467-S470 PolarHBondContact O-OG 2.98Å; R468-S470 VanDerWaalsContact C-N 3.33Å; R468-S470 PolarHBondContact O-N 3.39Å
471	L	86.5	Confident	83	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.063	25%	0.251	C	S	.	.	H	α-helix	trans	-69.4	-46.7	170.8	-62.5	174.6	0	0	0	111.6	S228 H229 F287 L296 F297 K467 R468 L469	S228-L471 CarbonylContact C-O 3.42Å; S228-L471 WeakPolarHBondContact CA-O 3.46Å; S228-L471 WeakPolarHBondContact CB-O 3.43Å; S228-L471 PolarHBondContact OG-O 2.97Å; H229-L471 WeakPolarHBondContact NE2-CD2 3.38Å; F287-L471 HydrophobicContact CB-CD1 4.05Å; F287-L471 HydrophobicContact CD1-CD1 3.58Å; F287-L471 HydrophobicContact CE1-CD1 4.18Å; F287-L471 HydrophobicContact CG-CD1 3.84Å; L296-L471 HydrophobicContact CB-CD2 3.75Å; L296-L471 HydrophobicContact CD1-CD1 4.17Å; L296-L471 HydrophobicContact CD1-CD2 3.98Å; F297-L471 WeakPolarHBondContact O-CD2 3.34Å; K467-L471 PolarHBondContact O-N 3.43Å; R468-L471 WeakPolarHBondContact O-CB 3.17Å; R468-L471 PolarHBondContact O-N 3.42Å; L469-L471 VanDerWaalsContact C-N 3.25Å; L469-L471 PolarHBondContact O-N 2.92Å
472	E	86.2	Confident	84.2	Confident	78 Å²	78	45.8 Å²	45.8	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-80.8	-23	-173.9	-65.4	177.6	175.9	0	0	113.7	L399 R468 L469	L399-E472 HydrophobicContact CD1-CB 3.63Å; L399-E472 WeakPolarHBondContact CD1-O 2.94Å; R468-E472 HydrophobicContact CG-CG 4.49Å; R468-E472 IonicContact CZ-OE1 3.86Å; R468-E472 IonicContact NE-OE1 2.67Å; R468-E472 PolarHBondContact NE-OE1 3.11Å; R468-E472 IonicContact NH2-OE1 2.73Å; R468-E472 PolarHBondContact NH2-OE1 3.3Å; R468-E472 PolarHBondContact O-N 3.34Å; R468-E472 VanDerWaalsContact O-N 3.1Å; L469-E472 PolarHBondContact O-N 3.23Å
473	A	89.3	Confident	85.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.			trans	-129.4	53.7	-174.4	0	0	0	0	0	112.6	L397 L399 I445 L469	L397-A473 HydrophobicContact CB-CB 4.07Å; L397-A473 HydrophobicContact CD1-CB 4.4Å; L399-A473 HydrophobicContact CB-CB 4.18Å; L399-A473 HydrophobicContact CD1-CB 4.22Å; I445-A473 HydrophobicContact CD1-CB 4.47Å; L469-A473 HydrophobicContact CD1-CB 3.98Å; L469-A473 WeakPolarHBondContact O-CB 3.23Å; L469-A473 PolarHBondContact O-N 2.94Å
474	S	90.7	Very high	86.3	Confident	5 Å²	5	45.7 Å²	45.7	4%	0.035	23%	0.228	C	C	.	.			trans	-75.3	-21.3	178.1	68	0	0	0	0	114.4	S228 F300 F301 K302	S228-S474 WeakPolarHBondContact O-CB 3.48Å; S228-S474 PolarHBondContact O-OG 3.04Å; F300-S474 WeakPolarHBondContact O-CB 3.47Å; F301-S474 CarbonylContact C-O 3.52Å; F301-S474 VanDerWaalsContact CA-O 3.31Å; F301-S474 WeakPolarHBondContact CA-O 3.09Å; K302-S474 PolarHBondContact N-O 3.45Å
475	L	92	Very high	87.8	Confident	11 Å²	11	48.4 Å²	48.4	6%	0.058	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.9	-178.3	180	57.6	0	0	0	110.8	K302 M398	K302-L475 HydrophobicContact CD-CD1 4.42Å; K302-L475 HydrophobicContact CG-CB 4.39Å; K302-L475 HydrophobicContact CG-CD1 3.91Å; M398-L475 HydrophobicContact CB-CG 4.5Å; M398-L475 WeakPolarHBondContact CB-O 2.8Å; M398-L475 HydrophobicContact CE-CD2 3.15Å; M398-L475 HydrophobicContact CE-CG 3.68Å; M398-L475 PolarHBondContact N-O 3.22Å
476	L	94.2	Very high	89.2	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	149.5	179.2	-60	176.3	0	0	0	111.4	F301 K302 I392 L397	F301-L476 HydrophobicContact CB-CD1 4.37Å; F301-L476 HydrophobicContact CD1-CD2 4.36Å; K302-L476 WeakPolarHBondContact O-CB 3.36Å; K302-L476 WeakPolarHBondContact O-CG 3.34Å; K302-L476 PolarHBondContact O-N 2.94Å; I392-L476 HydrophobicContact CB-CD1 4.09Å; I392-L476 HydrophobicContact CG1-CD1 3.77Å; I392-L476 HydrophobicContact CG2-CD1 4.3Å; L397-L476 HydrophobicContact CD2-CD2 3.66Å
477	I	92.9	Very high	90	Very high	49 Å²	49	44.7 Å²	44.7	25%	0.251	20%	0.204	S	C	.	.	S	Bend	trans	-77.6	-46.5	179.6	-64.8	-176.4	0	0	0	111.5	S395 D396 M398 R444	S395-I477 PolarHBondContact OG-N 3.21Å; D396-I477 HydrophobicContact CB-CB 4.43Å; D396-I477 HydrophobicContact CB-CD1 3.78Å; D396-I477 HydrophobicContact CB-CG1 4.32Å; D396-I477 PolarHBondContact O-N 3.21Å; M398-I477 HydrophobicContact CB-CG1 3.93Å; R444-I477 HydrophobicContact CB-CD1 3.63Å; R444-I477 VanDerWaalsContact CD-CD1 3.46Å; R444-I477 HydrophobicContact CG-CD1 3.29Å
478	D	95.3	Very high	90.5	Very high	68 Å²	68	43 Å²	43	36%	0.364	20%	0.196	S	C	.	.	S	Bend	trans	-77.9	135.4	-175.9	-59.1	-38.7	0	0	0	109.9	T303 I391 S395	T303-D478 PolarHBondContact OG1-O 2.91Å; I391-D478 HydrophobicContact CG2-CB 4.23Å; I391-D478 WeakPolarHBondContact CG2-O 3.13Å; S395-D478 WeakPolarHBondContact CA-OD2 3.17Å; S395-D478 PolarHBondContact OG-N 2.81Å; S395-D478 PolarHBondContact OG-OD2 2.95Å
479	S	95.8	Very high	90.8	Very high	27 Å²	27	36 Å²	36	19%	0.189	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-97.4	152.8	-179.4	-57.4	0	0	0	0	111.6	I391 Y481	I391-S479 WeakPolarHBondContact CD1-O 3.31Å; S479-Y481 WeakPolarHBondContact O-CD2 3.4Å
480	V	97.3	Very high	91	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-85.9	117.4	175	-177	0	0	0	0	109.1	I277 T303 R304 L305 V306 Y383 T387 V388 I391	I277-V480 HydrophobicContact CG2-CG2 4.38Å; T303-V480 HydrophobicContact CG2-CG2 3.54Å; R304-V480 PolarHBondContact O-N 2.85Å; L305-V480 HydrophobicContact CD2-CB 3.93Å; L305-V480 HydrophobicContact CD2-CG1 3.91Å; V306-V480 PolarHBondContact N-O 2.88Å; Y383-V480 HydrophobicContact CD1-CG1 3.88Å; T387-V480 HydrophobicContact CG2-CG1 4.47Å; V388-V480 HydrophobicContact CG2-CG1 3.92Å; V388-V480 HydrophobicContact CG2-CG2 4.12Å; I391-V480 HydrophobicContact CB-CG2 4.4Å; I391-V480 HydrophobicContact CD1-CB 4Å; I391-V480 HydrophobicContact CD1-CG1 4.35Å; I391-V480 HydrophobicContact CD1-CG2 3.63Å; I391-V480 HydrophobicContact CG2-CG2 4.32Å
481	Y	95.6	Very high	91.3	Very high	80 Å²	80	35.5 Å²	35.5	31%	0.314	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-97.1	154.5	174.9	-70.5	-85	0	0	0	111	V306 S479 F485	V306-Y481 HydrophobicContact CB-CD1 3.88Å; V306-Y481 HydrophobicContact CB-CE1 3.89Å; V306-Y481 HydrophobicContact CG1-CD1 3.81Å; V306-Y481 HydrophobicContact CG1-CE1 3.57Å; V306-Y481 HydrophobicContact CG2-CE1 4.15Å; S479-Y481 WeakPolarHBondContact O-CD2 3.4Å; Y481-F485 HydrophobicContact CD1-CD1 4.49Å; Y481-F485 AromaticContact CG-CD1 4Å; Y481-F485 HydrophobicContact CG-CD1 4Å; Y481-F485 HydrophobicContact CG-CE1 4.32Å
482	P	93.9	Very high	91.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.013	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.2	160.5	174.9	30.6	-37.8	0	0	0	110.3	V306 C381 I382 Y383 R484 F485 N486	V306-P482 WeakPolarHBondContact O-CD 3.28Å; C381-P482 HydrophobicContact CB-CB 4.2Å; I382-P482 CarbonylContact O-C 3.59Å; I382-P482 WeakPolarHBondContact O-CA 3.44Å; I382-P482 VanDerWaalsContact O-CB 3.32Å; I382-P482 WeakPolarHBondContact O-CB 2.92Å; Y383-P482 HydrophobicContact CD1-CB 4.29Å; Y383-P482 HydrophobicContact CE1-CB 4.07Å; P482-R484 PolarHBondContact O-N 2.73Å; P482-R484 VanDerWaalsContact O-N 3.08Å; P482-F485 WeakPolarHBondContact O-CA 3.49Å; P482-F485 PolarHBondContact O-N 2.9Å; P482-N486 WeakPolarHBondContact CG-O 3.07Å
483	E	85.2	Confident	91.4	Very high	75 Å²	75	35.9 Å²	35.9	35%	0.35	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-40.7	-178.2	-79.1	-87.1	105.2	0	0	114.5	I382 K384 F488	I382-E483 PolarHBondContact O-N 2.77Å; K384-E483 WeakPolarHBondContact CD-OE1 3.49Å; K384-E483 WeakPolarHBondContact CE-OE1 3.18Å; K384-E483 WeakPolarHBondContact CE-OE2 3.09Å; K384-E483 HydrophobicContact CG-CG 4.27Å; K384-E483 WeakPolarHBondContact CG-OE1 3.45Å; K384-E483 IonicContact NZ-OE1 3.74Å; K384-E483 PolarHBondContact NZ-OE1 2.62Å; K384-E483 IonicContact NZ-OE2 3Å; K384-E483 PolarHBondContact NZ-OE2 2.76Å; E483-F488 HydrophobicContact CB-CE2 4.32Å; E483-F488 HydrophobicContact CB-CZ 4.22Å
484	R	83.2	Confident	90.9	Very high	95 Å²	95	43.9 Å²	43.9	36%	0.358	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.5	-179.5	-68.4	-178.7	173.5	-145	-1.1	114	P482 N486 F488 N544 N589	P482-R484 PolarHBondContact O-N 2.73Å; P482-R484 VanDerWaalsContact O-N 3.08Å; R484-N486 PolarHBondContact O-N 2.81Å; R484-F488 HydrophobicContact CB-CE2 4.45Å; R484-F488 HydrophobicContact CG-CE1 4.2Å; R484-F488 HydrophobicContact CG-CE2 4.05Å; R484-F488 HydrophobicContact CG-CZ 3.74Å; R484-F488 VanDerWaalsContact NE-CE1 3.28Å; R484-N544 PolarHBondContact NE-O 3.47Å; R484-N544 VanDerWaalsContact NH2-C 3.29Å; R484-N544 PolarHBondContact NH2-O 3.02Å; R484-N589 PolarHBondContact NH1-ND2 2.83Å; R484-N589 PolarHBondContact NH2-ND2 3.41Å
485	F	88.6	Confident	90.6	Very high	125 Å²	125	43.7 Å²	43.7	55%	0.548	20%	0.198	S	C	.	.	S	Bend	trans	50.4	21.4	-165.9	-63.3	-86.4	0	0	0	112.8	R310 Y481 P482	R310-F485 WeakPolarHBondContact CD-O 3.3Å; R310-F485 PolarHBondContact NH1-O 2.8Å; Y481-F485 HydrophobicContact CD1-CD1 4.49Å; Y481-F485 AromaticContact CG-CD1 4Å; Y481-F485 HydrophobicContact CG-CD1 4Å; Y481-F485 HydrophobicContact CG-CE1 4.32Å; P482-F485 WeakPolarHBondContact O-CA 3.49Å; P482-F485 PolarHBondContact O-N 2.9Å
486	N	90.7	Very high	90.3	Very high	48 Å²	48	45.5 Å²	45.5	26%	0.257	21%	0.206	S	C	.	.	S	Bend	trans	-153.4	167.6	-178.5	-159.8	8.5	0	0	0	108.3	Q308 V309 R310 P482 R484	Q308-N486 PolarHBondContact O-OD1 2.89Å; V309-N486 WeakPolarHBondContact CA-OD1 3.24Å; R310-N486 PolarHBondContact N-OD1 2.6Å; P482-N486 WeakPolarHBondContact CG-O 3.07Å; R484-N486 PolarHBondContact O-N 2.81Å
487	I	91.9	Very high	90.2	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.128	21%	0.206	C	C	.	.			trans	-63	153.3	170.2	64.4	161.6	0	0	0	111	V309 A379 M490	V309-I487 HydrophobicContact CG2-CD1 3.55Å; V309-I487 HydrophobicContact CG2-CG1 3.92Å; V309-I487 HydrophobicContact CG2-CG2 3.98Å; A379-I487 HydrophobicContact CB-CG2 3.71Å; I487-M490 HydrophobicContact CD1-CG 3.62Å; I487-M490 HydrophobicContact CD1-SD 3.25Å; I487-M490 WeakPolarHBondContact CD1-SD 3.31Å
488	F	91.2	Very high	90.1	Very high	13 Å²	13	44.5 Å²	44.5	6%	0.057	20%	0.203	C	C	.	.	S	Bend	trans	-87.1	-30.8	171.9	-84.5	-101.5	0	0	0	112.6	L380 I382 E483 R484 L542 N589	L380-F488 PolarHBondContact O-N 3.04Å; I382-F488 HydrophobicContact CB-CD2 4.16Å; I382-F488 HydrophobicContact CB-CE2 3.76Å; I382-F488 HydrophobicContact CB-CZ 4.3Å; I382-F488 HydrophobicContact CD1-CD1 4.11Å; I382-F488 HydrophobicContact CD1-CD2 3.98Å; I382-F488 HydrophobicContact CD1-CE1 4.11Å; I382-F488 HydrophobicContact CD1-CE2 3.99Å; I382-F488 HydrophobicContact CD1-CG 4.04Å; I382-F488 HydrophobicContact CD1-CZ 4.04Å; I382-F488 HydrophobicContact CG1-CD2 3.91Å; I382-F488 HydrophobicContact CG1-CE2 3.97Å; I382-F488 HydrophobicContact CG1-CG 4.4Å; I382-F488 HydrophobicContact CG1-CZ 4.49Å; E483-F488 HydrophobicContact CB-CE2 4.32Å; E483-F488 HydrophobicContact CB-CZ 4.22Å; R484-F488 HydrophobicContact CB-CE2 4.45Å; R484-F488 HydrophobicContact CG-CE1 4.2Å; R484-F488 HydrophobicContact CG-CE2 4.05Å; R484-F488 HydrophobicContact CG-CZ 3.74Å; R484-F488 VanDerWaalsContact NE-CE1 3.28Å; F488-L542 HydrophobicContact CB-CD1 4.11Å; F488-L542 HydrophobicContact CD1-CD1 4.39Å; F488-N589 WeakPolarHBondContact O-CB 3.49Å; F488-N589 PolarHBondContact O-N 3.45Å
489	G	91.7	Very high	90	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	172.6	178.9	0	0	0	0	0	111	L380 S587	L380-G489 PolarHBondContact N-O 3.06Å; G489-S587 CarbonylContact C-O 3.6Å; G489-S587 WeakPolarHBondContact CA-O 3.1Å
490	M	92.3	Very high	90	Very high	24 Å²	24	40.8 Å²	40.8	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.5	176.9	-57	-63.7	-64.6	0	0	110.8	F329 P377 L378 A379 I487 T586 S587	F329-M490 HydrophobicContact CD1-CE 4.39Å; F329-M490 HydrophobicContact CE1-CE 3.47Å; F329-M490 VanDerWaalsContact CE1-CE 3.47Å; F329-M490 HydrophobicContact CE2-CE 4.4Å; F329-M490 HydrophobicContact CZ-CE 3.47Å; F329-M490 VanDerWaalsContact CZ-CE 3.47Å; F329-M490 HydrophobicContact CZ-SD 4.29Å; P377-M490 HydrophobicContact CB-CE 3.66Å; P377-M490 HydrophobicContact CG-CE 4.28Å; L378-M490 VanDerWaalsContact C-CE 3.43Å; L378-M490 CarbonylContact O-C 3.51Å; L378-M490 VanDerWaalsContact O-CA 3.25Å; L378-M490 WeakPolarHBondContact O-CA 3.38Å; L378-M490 WeakPolarHBondContact O-CE 3.5Å; A379-M490 WeakPolarHBondContact CA-SD 3.42Å; A379-M490 HydrophobicContact CB-CE 3.94Å; A379-M490 HydrophobicContact CB-SD 3.6Å; I487-M490 HydrophobicContact CD1-CG 3.62Å; I487-M490 HydrophobicContact CD1-SD 3.25Å; I487-M490 WeakPolarHBondContact CD1-SD 3.31Å; M490-T586 CarbonylContact O-C 3.45Å; M490-T586 VanDerWaalsContact O-CA 3.27Å; M490-T586 WeakPolarHBondContact O-CA 3.46Å; M490-S587 WeakPolarHBondContact CB-OG 3.41Å; M490-S587 PolarHBondContact N-O 2.81Å; M490-S587 PolarHBondContact O-N 3.16Å
491	I	92.5	Very high	89.9	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.1	172	-53.7	-177.5	0	0	0	106.9	L352 L378 F528 I530 M540 I584 T586 I590	L352-I491 HydrophobicContact CD2-CD1 3.94Å; L378-I491 HydrophobicContact CB-CB 4.48Å; L378-I491 WeakPolarHBondContact CB-O 3.49Å; L378-I491 PolarHBondContact N-O 3.01Å; L378-I491 PolarHBondContact O-N 2.85Å; I491-F528 HydrophobicContact CD1-CE2 4.1Å; I491-F528 HydrophobicContact CD1-CZ 4.24Å; I491-I530 HydrophobicContact CD1-CD1 3.34Å; I491-M540 HydrophobicContact CD1-SD 3.94Å; I491-M540 HydrophobicContact CG2-CE 4.38Å; I491-I584 HydrophobicContact CG2-CD1 3.6Å; I491-I584 HydrophobicContact CG2-CG1 3.78Å; I491-T586 HydrophobicContact CG1-CG2 4.24Å; I491-T586 HydrophobicContact CG2-CG2 4.42Å; I491-I590 HydrophobicContact CD1-CD1 4.2Å; I491-I590 HydrophobicContact CG1-CD1 3.82Å
492	E	89.2	Confident	89.9	Confident	97 Å²	97	38.3 Å²	38.3	45%	0.453	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.8	175.5	166	179.5	-145.3	0	0	108.4	P377 I584 S585	P377-E492 HydrophobicContact CB-CB 4.48Å; E492-I584 CarbonylContact O-C 3.48Å; E492-I584 VanDerWaalsContact O-CA 3.32Å; E492-I584 WeakPolarHBondContact O-CA 3.26Å; E492-S585 VanDerWaalsContact CB-OG 3.3Å; E492-S585 WeakPolarHBondContact CB-OG 3.49Å; E492-S585 PolarHBondContact N-O 2.81Å; E492-S585 PolarHBondContact O-N 3.46Å; E492-S585 PolarHBondContact O-OG 3.25Å; E492-S585 PolarHBondContact OE2-OG 3.02Å
493	T	85	Confident	90	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146	-176.7	173.4	0	0	0	0	110	V373 L378 S495 I497	V373-T493 WeakPolarHBondContact CG1-O 3.39Å; L378-T493 HydrophobicContact CD1-CG2 4.37Å; T493-S495 VanDerWaalsContact C-N 3.33Å; T493-S495 VanDerWaalsContact CG2-O 3.24Å; T493-S495 WeakPolarHBondContact CG2-O 3.37Å; T493-S495 PolarHBondContact OG1-N 2.86Å; T493-S495 VanDerWaalsContact OG1-N 3.09Å; T493-S495 PolarHBondContact OG1-O 2.96Å; T493-S495 PolarHBondContact OG1-OG 2.91Å; T493-I497 HydrophobicContact CG2-CG1 4.29Å
494	R	79.4	Confident	90.3	Very high	167 Å²	167	35.5 Å²	35.5	63%	0.63	16%	0.161	S	C	*	.	S	Bend	trans	-80.2	-17.4	173	-64.2	-173.6	-69.2	-143.1	-2	113	T374 S583	T374-R494 PolarHBondContact OG1-O 3.29Å; R494-S583 PolarHBondContact N-O 2.86Å
495	S	84.3	Confident	90.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	15%	0.148	C	C	.	.	S	Bend	trans	-102	158.9	-178.7	56.9	0	0	0	0	111.5	S375 T493 T532 N533	S375-S495 PolarHBondContact OG-O 3.19Å; T493-S495 VanDerWaalsContact C-N 3.33Å; T493-S495 VanDerWaalsContact CG2-O 3.24Å; T493-S495 WeakPolarHBondContact CG2-O 3.37Å; T493-S495 PolarHBondContact OG1-N 2.86Å; T493-S495 VanDerWaalsContact OG1-N 3.09Å; T493-S495 PolarHBondContact OG1-O 2.96Å; T493-S495 PolarHBondContact OG1-OG 2.91Å; S495-T532 WeakPolarHBondContact OG-CB 3.37Å; S495-T532 WeakPolarHBondContact OG-CG2 3.24Å; S495-N533 VanDerWaalsContact CB-OD1 3.25Å; S495-N533 WeakPolarHBondContact CB-OD1 3.3Å
496	Q	86.5	Confident	90.7	Very high	48 Å²	48	26.3 Å²	26.3	22%	0.224	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-78.8	134.2	174.2	-175.4	-179.4	3.6	0	0	109.4	T532 N533	Q496-T532 CarbonylContact O-C 3.47Å; Q496-T532 VanDerWaalsContact O-CA 3.27Å; Q496-T532 WeakPolarHBondContact O-CA 3.48Å; Q496-N533 HydrophobicContact CB-CB 4.22Å; Q496-N533 PolarHBondContact N-OD1 2.84Å; Q496-N533 PolarHBondContact O-N 2.81Å; Q496-N533 PolarHBondContact O-OD1 2.82Å
497	I	91.2	Very high	90.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.5	169.1	-64.1	-176.5	0	0	0	109	V333 A334 L352 L378 T493 G499 I530	V333-I497 HydrophobicContact CG1-CB 4.41Å; A334-I497 HydrophobicContact CB-CG2 4.23Å; L352-I497 HydrophobicContact CD1-CD1 3.78Å; L352-I497 HydrophobicContact CD1-CG2 4.42Å; L378-I497 HydrophobicContact CD1-CD1 3.36Å; L378-I497 HydrophobicContact CD1-CG1 3.94Å; T493-I497 HydrophobicContact CG2-CG1 4.29Å; I497-G499 WeakPolarHBondContact CG2-O 3.4Å; I497-I530 HydrophobicContact CB-CG2 4.42Å; I497-I530 HydrophobicContact CD1-CD1 3.93Å; I497-I530 HydrophobicContact CD1-CG1 4.45Å; I497-I530 HydrophobicContact CD1-CG2 3.85Å; I497-I530 HydrophobicContact CG1-CG2 3.81Å; I497-I530 HydrophobicContact CG2-CG2 3.97Å
498	T	90.8	Very high	90.2	Very high	31 Å²	31	23.4 Å²	23.4	19%	0.19	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-23.5	-179	49.9	0	0	0	0	112.7	G531 N533 I607	T498-G531 PolarHBondContact N-O 3.47Å; T498-G531 PolarHBondContact OG1-O 2.78Å; T498-N533 HydrophobicContact CG2-CB 3.9Å; T498-I607 WeakPolarHBondContact CB-O 3.1Å; T498-I607 PolarHBondContact OG1-O 2.6Å
499	G	92.9	Very high	90	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.6	173.3	0	0	0	0	0	111.1	I497 I530 G531	I497-G499 WeakPolarHBondContact CG2-O 3.4Å; G499-I530 CarbonylContact O-C 3.58Å; G499-I530 WeakPolarHBondContact O-CA 3.3Å; G499-G531 PolarHBondContact N-O 2.97Å; G499-G531 PolarHBondContact O-N 3.44Å
500	F	96.2	Very high	89.6	Confident	14 Å²	14	29.5 Å²	29.5	6%	0.061	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	110.5	174.8	177.2	-133.8	0	0	0	110.2	A334 S336 L352 L380 I502 F528 Y529 I530	A334-F500 HydrophobicContact CB-CB 3.67Å; A334-F500 HydrophobicContact CB-CD1 3.96Å; A334-F500 HydrophobicContact CB-CG 4.17Å; S336-F500 PolarHBondContact OG-O 2.95Å; L352-F500 HydrophobicContact CD1-CD1 4.22Å; L352-F500 HydrophobicContact CD1-CD2 4.08Å; L352-F500 HydrophobicContact CD1-CE1 4.43Å; L352-F500 HydrophobicContact CD1-CE2 4.3Å; L352-F500 HydrophobicContact CD1-CG 4.05Å; L352-F500 HydrophobicContact CD1-CZ 4.47Å; L352-F500 HydrophobicContact CG-CD1 4.4Å; L352-F500 HydrophobicContact CG-CE1 4.22Å; L352-F500 HydrophobicContact CG-CZ 4.32Å; L380-F500 HydrophobicContact CD1-CZ 4.13Å; F500-I502 HydrophobicContact CE2-CD1 4.16Å; F500-I502 HydrophobicContact CZ-CD1 4.04Å; F500-F528 HydrophobicContact CD2-CD2 4.15Å; F500-F528 HydrophobicContact CE2-CB 4.21Å; F500-F528 AromaticContact CE2-CD2 3.61Å; F500-F528 HydrophobicContact CE2-CD2 3.61Å; F500-F528 HydrophobicContact CE2-CE2 4.23Å; F500-F528 HydrophobicContact CE2-CG 4.1Å; F500-Y529 WeakPolarHBondContact CA-O 3.35Å; F500-I530 HydrophobicContact CD2-CG1 4.05Å
501	I	96.1	Very high	89.2	Confident	25 Å²	25	29.6 Å²	29.6	13%	0.128	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.3	-179.9	63.3	161.1	0	0	0	111.3	F528 Y529 L610 L641	I501-F528 CarbonylContact O-C 3.54Å; I501-F528 WeakPolarHBondContact O-CA 3.47Å; I501-F528 WeakPolarHBondContact O-CB 3.14Å; I501-Y529 HydrophobicContact CD1-CD2 4.07Å; I501-Y529 HydrophobicContact CG1-CD2 3.98Å; I501-Y529 HydrophobicContact CG1-CG 4.44Å; I501-Y529 PolarHBondContact N-O 3.3Å; I501-Y529 VanDerWaalsContact N-O 3.08Å; I501-Y529 PolarHBondContact O-N 3.37Å; I501-L610 HydrophobicContact CD1-CB 3.88Å; I501-L610 HydrophobicContact CG1-CB 4.05Å; I501-L610 HydrophobicContact CG1-CD1 4.34Å; I501-L610 HydrophobicContact CG2-CB 4.15Å; I501-L610 WeakPolarHBondContact CG2-O 3.31Å; I501-L641 HydrophobicContact CD1-CD1 3.53Å
502	I	96.1	Very high	88.5	Confident	3 Å²	3	34 Å²	34	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.2	172.8	-56	-54.7	0	0	0	109.3	S336 Y350 F500 P504 V507 T526 F528	S336-I502 PolarHBondContact OG-N 3.06Å; Y350-I502 HydrophobicContact CD1-CD1 3.93Å; Y350-I502 HydrophobicContact CD2-CD1 4.05Å; Y350-I502 HydrophobicContact CD2-CG1 3.84Å; Y350-I502 HydrophobicContact CE1-CD1 4.23Å; Y350-I502 HydrophobicContact CE2-CD1 4.36Å; Y350-I502 HydrophobicContact CE2-CG1 4.04Å; Y350-I502 HydrophobicContact CG-CD1 3.84Å; Y350-I502 HydrophobicContact CG-CG1 4.15Å; F500-I502 HydrophobicContact CE2-CD1 4.16Å; F500-I502 HydrophobicContact CZ-CD1 4.04Å; I502-P504 WeakPolarHBondContact O-CD 3.36Å; I502-V507 HydrophobicContact CG2-CG2 3.85Å; I502-T526 HydrophobicContact CG2-CG2 3.73Å; I502-F528 HydrophobicContact CD1-CB 3.58Å; I502-F528 HydrophobicContact CD1-CG 4.46Å
503	D	94.9	Very high	87.7	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.			trans	-77.8	110.2	171.5	-166	-36	0	0	0	110	R505 H506 V507 I527 Y529	D503-R505 PolarHBondContact O-N 2.82Å; D503-R505 VanDerWaalsContact O-N 3.11Å; D503-R505 VanDerWaalsContact OD1-CB 3.28Å; D503-R505 WeakPolarHBondContact OD1-CB 3.33Å; D503-R505 WeakPolarHBondContact OD1-CG 3.15Å; D503-R505 IonicContact OD1-CZ 3.68Å; D503-R505 PolarHBondContact OD1-N 2.76Å; D503-R505 IonicContact OD1-NE 3.45Å; D503-R505 PolarHBondContact OD1-NE 2.89Å; D503-R505 IonicContact OD1-NH2 2.71Å; D503-R505 IonicContact OD2-CZ 2.7Å; D503-R505 IonicContact OD2-NE 3.92Å; D503-R505 PolarHBondContact OD2-NE 3.07Å; D503-R505 IonicContact OD2-NH2 2.75Å; D503-R505 PolarHBondContact OD2-NH2 2.83Å; D503-H506 HydrophobicContact CB-CB 4.4Å; D503-H506 CarbonylContact O-C 3.58Å; D503-H506 PolarHBondContact O-N 3.33Å; D503-H506 VanDerWaalsContact O-N 3.1Å; D503-H506 IonicContact OD1-ND1 3.44Å; D503-H506 IonicContact OD2-ND1 3.64Å; D503-V507 WeakPolarHBondContact O-CG2 3.15Å; D503-I527 HydrophobicContact CB-CB 3.99Å; D503-I527 HydrophobicContact CB-CG2 4.12Å; D503-I527 WeakPolarHBondContact CB-O 3.43Å; D503-I527 PolarHBondContact N-O 3.33Å; D503-Y529 HydrophobicContact CB-CE2 3.75Å; D503-Y529 PolarHBondContact OD2-OH 3.25Å
504	P	91.8	Very high	86.9	Confident	18 Å²	18	37.6 Å²	37.6	12%	0.117	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-55.6	-27.7	178.8	13.2	-27.1	0	0	0	114.9	I502 H506 L612 R625 F631	I502-P504 WeakPolarHBondContact O-CD 3.36Å; P504-H506 PolarHBondContact O-N 3.19Å; P504-L612 HydrophobicContact CG-CD2 4.13Å; P504-R625 HydrophobicContact CG-CB 4.34Å; P504-F631 HydrophobicContact CB-CD1 4.42Å; P504-F631 HydrophobicContact CB-CE1 3.42Å; P504-F631 VanDerWaalsContact CB-CE1 3.42Å; P504-F631 HydrophobicContact CB-CZ 3.99Å; P504-F631 HydrophobicContact CG-CE1 3.57Å; P504-F631 HydrophobicContact CG-CZ 3.88Å
505	R	90.5	Very high	86	Confident	25 Å²	25	32 Å²	32	9%	0.094	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-71.2	-25.2	-177.5	-54.7	174.5	-64.5	151.1	7.5	112.2	D503 F631 Y633 F639 D673	D503-R505 PolarHBondContact O-N 2.82Å; D503-R505 VanDerWaalsContact O-N 3.11Å; D503-R505 VanDerWaalsContact OD1-CB 3.28Å; D503-R505 WeakPolarHBondContact OD1-CB 3.33Å; D503-R505 WeakPolarHBondContact OD1-CG 3.15Å; D503-R505 IonicContact OD1-CZ 3.68Å; D503-R505 PolarHBondContact OD1-N 2.76Å; D503-R505 IonicContact OD1-NE 3.45Å; D503-R505 PolarHBondContact OD1-NE 2.89Å; D503-R505 IonicContact OD1-NH2 2.71Å; D503-R505 IonicContact OD2-CZ 2.7Å; D503-R505 IonicContact OD2-NE 3.92Å; D503-R505 PolarHBondContact OD2-NE 3.07Å; D503-R505 IonicContact OD2-NH2 2.75Å; D503-R505 PolarHBondContact OD2-NH2 2.83Å; R505-F631 HydrophobicContact CG-CZ 4.23Å; R505-Y633 HydrophobicContact CB-CE1 4.05Å; R505-Y633 HydrophobicContact CG-CD1 4.48Å; R505-Y633 HydrophobicContact CG-CE1 4.09Å; R505-F639 VanDerWaalsContact CD-CD2 3.42Å; R505-F639 VanDerWaalsContact CD-CG 3.49Å; R505-F639 VanDerWaalsContact CD-CZ 3.44Å; R505-F639 HydrophobicContact CG-CD1 4.36Å; R505-F639 HydrophobicContact CG-CE1 3.97Å; R505-F639 HydrophobicContact CG-CE2 4.37Å; R505-F639 HydrophobicContact CG-CZ 3.98Å; R505-D673 IonicContact CZ-OD1 2.95Å; R505-D673 IonicContact NH1-OD1 3.22Å; R505-D673 PolarHBondContact NH1-OD1 2.87Å; R505-D673 IonicContact NH1-OD2 2.69Å; R505-D673 IonicContact NH2-OD1 3.13Å; R505-D673 IonicContact NH2-OD2 3.63Å; R505-D673 PolarHBondContact NH2-OD2 2.83Å
506	H	90.3	Very high	84.7	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.009	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-125.9	55.4	-170.1	-62.3	107.1	0	0	0	108.6	D503 P504 Y525 T526 I527 D673	D503-H506 HydrophobicContact CB-CB 4.4Å; D503-H506 CarbonylContact O-C 3.58Å; D503-H506 PolarHBondContact O-N 3.33Å; D503-H506 VanDerWaalsContact O-N 3.1Å; D503-H506 IonicContact OD1-ND1 3.44Å; D503-H506 IonicContact OD2-ND1 3.64Å; P504-H506 PolarHBondContact O-N 3.19Å; H506-Y525 HydrophobicContact CB-CE2 4.14Å; H506-Y525 AromaticContact CD2-CE2 3.63Å; H506-Y525 AromaticContact CD2-CZ 3.95Å; H506-Y525 PolarHBondContact CD2-OH 3.4Å; H506-T526 CarbonylContact O-C 3.58Å; H506-T526 WeakPolarHBondContact O-CA 3.35Å; H506-I527 HydrophobicContact CB-CB 3.77Å; H506-I527 HydrophobicContact CB-CD1 3.98Å; H506-I527 HydrophobicContact CB-CG1 3.73Å; H506-I527 PolarHBondContact O-N 2.9Å; H506-D673 IonicContact CE1-OD1 3.91Å; H506-D673 PolarHBondContact CE1-OD1 3.15Å; H506-D673 IonicContact CE1-OD2 2.66Å; H506-D673 IonicContact NE2-OD1 3.98Å
507	V	87.4	Confident	83.2	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.042	21%	0.211	C	C	.	.	S	Bend	trans	-102.8	112.5	171.4	-176.9	0	0	0	0	108.9	S338 Y339 I502 D503 K509	S338-V507 VanDerWaalsContact OG-CG1 3.25Å; S338-V507 WeakPolarHBondContact OG-CG1 3.41Å; Y339-V507 VanDerWaalsContact O-CG1 3.31Å; Y339-V507 WeakPolarHBondContact O-CG1 3.36Å; I502-V507 HydrophobicContact CG2-CG2 3.85Å; D503-V507 WeakPolarHBondContact O-CG2 3.15Å; V507-K509 PolarHBondContact O-N 3.25Å; V507-K509 VanDerWaalsContact O-N 3.11Å
508	A	84.5	Confident	81.9	Confident	5 Å²	5	45.2 Å²	45.2	4%	0.041	25%	0.251	C	S	.	.	S	Bend	trans	50.2	35.9	-179.6	0	0	0	0	0	113.4	I340 Q342 Y525 T526	I340-A508 HydrophobicContact CG2-CB 4.3Å; Q342-A508 PolarHBondContact NE2-O 3.15Å; A508-Y525 CarbonylContact C-O 3.57Å; A508-Y525 VanDerWaalsContact CA-O 3.27Å; A508-Y525 WeakPolarHBondContact CA-O 3.4Å; A508-Y525 PolarHBondContact N-O 2.87Å; A508-T526 PolarHBondContact N-OG1 2.93Å; A508-T526 VanDerWaalsContact N-OG1 3.13Å
509	K	85.9	Confident	80.5	Confident	72 Å²	72	50.2 Å²	50.2	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141.8	179.8	-173.5	165.6	172.5	-176.2	0	109.4	V507 R524 Y525	V507-K509 PolarHBondContact O-N 3.25Å; V507-K509 VanDerWaalsContact O-N 3.11Å; K509-R524 CarbonylContact O-C 3.47Å; K509-R524 VanDerWaalsContact O-CA 3.28Å; K509-R524 WeakPolarHBondContact O-CA 3.3Å; K509-Y525 HydrophobicContact CB-CD1 4.39Å; K509-Y525 HydrophobicContact CB-CE1 3.87Å; K509-Y525 HydrophobicContact CB-CE2 4.34Å; K509-Y525 WeakPolarHBondContact CD-OH 3.3Å; K509-Y525 HydrophobicContact CG-CE1 4.03Å; K509-Y525 PolarHBondContact N-O 2.99Å; K509-Y525 WeakPolarHBondContact O-CD1 3.47Å; K509-Y525 PolarHBondContact O-N 3.16Å
510	I	83.6	Confident	79.2	Confident	71 Å²	71	55.1 Å²	55.1	36%	0.364	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.5	-177.2	-60.8	169	0	0	0	108.6	H522 I523 R524	I510-H522 HydrophobicContact CG2-CB 3.85Å; I510-H522 WeakPolarHBondContact CG2-ND1 3.42Å; I510-I523 CarbonylContact C-O 3.57Å; I510-I523 WeakPolarHBondContact CA-O 3.28Å; I510-R524 HydrophobicContact CG1-CG 4.01Å
511	Y	83.6	Confident	78.1	Confident	26 Å²	26	56.1 Å²	56.1	10%	0.102	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.2	164.1	-177.5	-102.1	0	0	0	109	D513 I523 S691 N692 I693 L694	Y511-D513 HydrophobicContact CE1-CB 4.3Å; Y511-I523 PolarHBondContact N-O 3.32Å; Y511-I523 PolarHBondContact O-N 3.47Å; Y511-S691 PolarHBondContact OH-O 3.31Å; Y511-S691 VanDerWaalsContact OH-O 3.12Å; Y511-N692 WeakPolarHBondContact OH-CA 3.27Å; Y511-I693 HydrophobicContact CD1-CD1 3.87Å; Y511-I693 HydrophobicContact CD1-CG1 3.74Å; Y511-I693 HydrophobicContact CD2-CD1 3.66Å; Y511-I693 HydrophobicContact CD2-CG1 3.84Å; Y511-I693 HydrophobicContact CD2-CG2 4.35Å; Y511-I693 HydrophobicContact CE1-CD1 4.47Å; Y511-I693 HydrophobicContact CE1-CG1 3.87Å; Y511-I693 HydrophobicContact CE2-CD1 4.31Å; Y511-I693 HydrophobicContact CE2-CG1 3.98Å; Y511-I693 HydrophobicContact CE2-CG2 4.15Å; Y511-I693 HydrophobicContact CG-CD1 3.41Å; Y511-I693 VanDerWaalsContact CG-CD1 3.41Å; Y511-I693 HydrophobicContact CG-CG1 3.72Å; Y511-L694 HydrophobicContact CD1-CD1 4.37Å; Y511-L694 HydrophobicContact CD1-CG 4.36Å; Y511-L694 HydrophobicContact CE1-CD1 4.17Å; Y511-L694 HydrophobicContact CE1-CG 4.19Å
512	Q	78.3	Confident	77.3	Confident	92 Å²	92	59 Å²	59	43%	0.43	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.8	173.4	-69.5	-179.8	-1.6	0	0	108.3	K514 I520	Q512-K514 PolarHBondContact O-N 3.05Å; Q512-I520 HydrophobicContact CB-CG2 4.09Å; Q512-I520 HydrophobicContact CG-CG2 4.12Å
513	D	72.3	Confident	76.7	Confident	14 Å²	14	59 Å²	59	8%	0.075	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116.6	170.3	-170	-3.9	0	0	0	109.3	Y511 T515 K521 L694	Y511-D513 HydrophobicContact CE1-CB 4.3Å; D513-T515 VanDerWaalsContact OD1-CB 3.29Å; D513-T515 WeakPolarHBondContact OD1-CB 3.37Å; D513-T515 VanDerWaalsContact OD1-CG2 3.22Å; D513-T515 WeakPolarHBondContact OD1-CG2 2.91Å; D513-T515 PolarHBondContact OD1-N 2.86Å; D513-T515 PolarHBondContact OD1-OG1 2.81Å; D513-T515 PolarHBondContact OD2-OG1 2.99Å; D513-K521 HydrophobicContact CB-CB 4.17Å; D513-K521 PolarHBondContact N-O 3.19Å; D513-L694 HydrophobicContact CB-CD1 3.95Å; D513-L694 WeakPolarHBondContact OD2-CD1 3.1Å
514	K	67.6	Low	76.4	Confident	162 Å²	162	62.4 Å²	62.4	70%	0.704	33%	0.327	S	S	*	.			trans	-104.9	6.7	178	-62.7	-176.5	-178.2	178.3	0	112.8	Q512 Q516	Q512-K514 PolarHBondContact O-N 3.05Å; K514-Q516 VanDerWaalsContact C-N 3.28Å; K514-Q516 PolarHBondContact O-N 2.87Å
515	T	60.7	Low	76.4	Confident	50 Å²	50	61.7 Å²	61.7	31%	0.307	32%	0.322	S	S	.	.	S	Bend	trans	-68.4	-25.3	-172.1	56.3	0	0	0	0	114.1	D513 N692	D513-T515 VanDerWaalsContact OD1-CB 3.29Å; D513-T515 WeakPolarHBondContact OD1-CB 3.37Å; D513-T515 VanDerWaalsContact OD1-CG2 3.22Å; D513-T515 WeakPolarHBondContact OD1-CG2 2.91Å; D513-T515 PolarHBondContact OD1-N 2.86Å; D513-T515 PolarHBondContact OD1-OG1 2.81Å; D513-T515 PolarHBondContact OD2-OG1 2.99Å; T515-N692 WeakPolarHBondContact CG2-ND2 3.47Å
516	Q	57.1	Low	76.6	Confident	113 Å²	113	60.5 Å²	60.5	53%	0.528	32%	0.318	S	S	.	.	S	Bend	trans	-109.9	126.5	177.3	-61	-169.2	20.3	0	0	111.1	K514 G518 Q519	K514-Q516 VanDerWaalsContact C-N 3.28Å; K514-Q516 PolarHBondContact O-N 2.87Å; Q516-G518 PolarHBondContact O-N 3.15Å; Q516-Q519 PolarHBondContact O-N 2.94Å
517	P	56.5	Low	76.9	Confident	134 Å²	134	60.4 Å²	60.4	87%	0.87	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	121.7	175.4	24.6	-30.6	0	0	0	110.2
518	G	63	Low	77.3	Confident	84 Å²	84	60.2 Å²	60.2	87%	0.866	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-7.8	175.4	0	0	0	0	0	116.6	Q516	Q516-G518 PolarHBondContact O-N 3.15Å
519	Q	61.7	Low	77.9	Confident	135 Å²	135	60 Å²	60	63%	0.631	31%	0.314	S	S	*	.			trans	-121.9	90.8	176	-67.5	-169.9	-0.7	0	0	110.7	Q516 K521	Q516-Q519 PolarHBondContact O-N 2.94Å; Q519-K521 PolarHBondContact O-N 2.99Å
520	I	66.4	Low	78.4	Confident	106 Å²	106	56.5 Å²	56.5	54%	0.544	30%	0.299	S	S	.	.			trans	-82	103.3	171.9	-58.6	172.2	0	0	0	107.5	Q512	Q512-I520 HydrophobicContact CB-CG2 4.09Å; Q512-I520 HydrophobicContact CG-CG2 4.12Å
521	K	71.5	Confident	78.9	Confident	34 Å²	34	53.1 Å²	53.1	15%	0.148	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.1	172.6	-164.7	170.3	-176.5	166.6	0	109.4	D513 Q519 I523 I546	D513-K521 HydrophobicContact CB-CB 4.17Å; D513-K521 PolarHBondContact N-O 3.19Å; Q519-K521 PolarHBondContact O-N 2.99Å; K521-I523 HydrophobicContact CD-CD1 4.2Å; K521-I523 HydrophobicContact CD-CG1 4.33Å; K521-I523 HydrophobicContact CG-CD1 4.29Å; K521-I523 HydrophobicContact CG-CG1 4Å; K521-I546 VanDerWaalsContact NZ-CG2 3.28Å
522	H	79.9	Confident	79.2	Confident	86 Å²	86	51.9 Å²	51.9	40%	0.398	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.7	173.4	-67.4	-71.3	0	0	0	109.5	I510	I510-H522 HydrophobicContact CG2-CB 3.85Å; I510-H522 WeakPolarHBondContact CG2-ND1 3.42Å
523	I	84.2	Confident	79.6	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.9	-178.8	-62.4	174.1	0	0	0	108.7	I510 Y511 K521 F543 L694	I510-I523 CarbonylContact C-O 3.57Å; I510-I523 WeakPolarHBondContact CA-O 3.28Å; Y511-I523 PolarHBondContact N-O 3.32Å; Y511-I523 PolarHBondContact O-N 3.47Å; K521-I523 HydrophobicContact CD-CD1 4.2Å; K521-I523 HydrophobicContact CD-CG1 4.33Å; K521-I523 HydrophobicContact CG-CD1 4.29Å; K521-I523 HydrophobicContact CG-CG1 4Å; I523-F543 HydrophobicContact CG2-CD1 3.74Å; I523-F543 HydrophobicContact CG2-CE1 4.35Å; I523-L694 HydrophobicContact CD1-CD1 3.32Å; I523-L694 HydrophobicContact CD1-CD2 3.41Å; I523-L694 VanDerWaalsContact CD1-CD2 3.41Å; I523-L694 HydrophobicContact CD1-CG 3.93Å; I523-L694 HydrophobicContact CG2-CD2 4.41Å
524	R	88.5	Confident	80.2	Confident	71 Å²	71	53.3 Å²	53.3	27%	0.268	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130	173.9	-71.7	-175.6	173.7	147.4	-9.8	110.2	K509 I510 N544 E545	K509-R524 CarbonylContact O-C 3.47Å; K509-R524 VanDerWaalsContact O-CA 3.28Å; K509-R524 WeakPolarHBondContact O-CA 3.3Å; I510-R524 HydrophobicContact CG1-CG 4.01Å; R524-N544 HydrophobicContact CB-CB 4.04Å; R524-N544 PolarHBondContact O-N 3.15Å; R524-E545 HydrophobicContact CB-CB 4.48Å; R524-E545 WeakPolarHBondContact CD-OE2 3.04Å; R524-E545 IonicContact CZ-OE2 3.84Å; R524-E545 IonicContact NE-OE2 3.27Å; R524-E545 IonicContact NH1-OE1 3.12Å; R524-E545 PolarHBondContact NH1-OE1 2.92Å; R524-E545 IonicContact NH1-OE2 3Å; R524-E545 PolarHBondContact NH1-OE2 2.89Å
525	Y	92.1	Very high	81.2	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154	176.4	71.2	-88.3	0	0	0	112.4	H506 A508 K509 I527 L541 L542 P672 I693	H506-Y525 HydrophobicContact CB-CE2 4.14Å; H506-Y525 AromaticContact CD2-CE2 3.63Å; H506-Y525 AromaticContact CD2-CZ 3.95Å; H506-Y525 PolarHBondContact CD2-OH 3.4Å; A508-Y525 CarbonylContact C-O 3.57Å; A508-Y525 VanDerWaalsContact CA-O 3.27Å; A508-Y525 WeakPolarHBondContact CA-O 3.4Å; A508-Y525 PolarHBondContact N-O 2.87Å; K509-Y525 HydrophobicContact CB-CD1 4.39Å; K509-Y525 HydrophobicContact CB-CE1 3.87Å; K509-Y525 HydrophobicContact CB-CE2 4.34Å; K509-Y525 WeakPolarHBondContact CD-OH 3.3Å; K509-Y525 HydrophobicContact CG-CE1 4.03Å; K509-Y525 PolarHBondContact N-O 2.99Å; K509-Y525 WeakPolarHBondContact O-CD1 3.47Å; K509-Y525 PolarHBondContact O-N 3.16Å; Y525-I527 HydrophobicContact CD2-CG1 4.26Å; Y525-I527 HydrophobicContact CE2-CD1 4.35Å; Y525-I527 HydrophobicContact CE2-CG1 4.23Å; Y525-L541 HydrophobicContact CD2-CD1 3.45Å; Y525-L541 VanDerWaalsContact CD2-CD1 3.45Å; Y525-L541 HydrophobicContact CE2-CD1 4.27Å; Y525-L541 HydrophobicContact CG-CD1 3.96Å; Y525-L542 CarbonylContact C-O 3.58Å; Y525-L542 WeakPolarHBondContact CA-O 3.43Å; Y525-L542 WeakPolarHBondContact CB-O 3.18Å; Y525-P672 HydrophobicContact CD2-CG 4.11Å; Y525-P672 HydrophobicContact CE2-CB 3.69Å; Y525-P672 HydrophobicContact CE2-CG 3.53Å; Y525-P672 WeakPolarHBondContact OH-CB 3.49Å; Y525-I693 HydrophobicContact CD1-CD1 3.95Å; Y525-I693 HydrophobicContact CE1-CD1 4.21Å; Y525-I693 HydrophobicContact CG-CD1 4.33Å
526	T	93.9	Very high	82.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.6	171.5	-66.7	0	0	0	0	110.9	Y350 I502 H506 A508 L542 N544	Y350-T526 HydrophobicContact CE1-CG2 4.31Å; I502-T526 HydrophobicContact CG2-CG2 3.73Å; H506-T526 CarbonylContact O-C 3.58Å; H506-T526 WeakPolarHBondContact O-CA 3.35Å; A508-T526 PolarHBondContact N-OG1 2.93Å; A508-T526 VanDerWaalsContact N-OG1 3.13Å; T526-L542 PolarHBondContact N-O 2.86Å; T526-L542 PolarHBondContact O-N 3.13Å; T526-N544 PolarHBondContact N-OD1 3.48Å; T526-N544 PolarHBondContact OG1-ND2 2.91Å; T526-N544 PolarHBondContact OG1-OD1 2.8Å
527	I	95.6	Very high	84.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139	169.8	-61.4	-178.7	0	0	0	109.5	D503 H506 Y525 Y529 K539 M540 L541 I593 P672	D503-I527 HydrophobicContact CB-CB 3.99Å; D503-I527 HydrophobicContact CB-CG2 4.12Å; D503-I527 WeakPolarHBondContact CB-O 3.43Å; D503-I527 PolarHBondContact N-O 3.33Å; H506-I527 HydrophobicContact CB-CB 3.77Å; H506-I527 HydrophobicContact CB-CD1 3.98Å; H506-I527 HydrophobicContact CB-CG1 3.73Å; H506-I527 PolarHBondContact O-N 2.9Å; Y525-I527 HydrophobicContact CD2-CG1 4.26Å; Y525-I527 HydrophobicContact CE2-CD1 4.35Å; Y525-I527 HydrophobicContact CE2-CG1 4.23Å; I527-Y529 HydrophobicContact CG2-CE1 4.42Å; I527-Y529 HydrophobicContact CG2-CE2 4.37Å; I527-K539 HydrophobicContact CG2-CG 4.11Å; I527-M540 WeakPolarHBondContact CA-O 3.46Å; I527-L541 HydrophobicContact CG1-CD1 4Å; I527-I593 HydrophobicContact CD1-CD1 4.35Å; I527-P672 HydrophobicContact CD1-CB 4.38Å; I527-P672 HydrophobicContact CD1-CG 3.92Å
528	F	96.9	Very high	86.1	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.1	174.9	66.7	-87.2	0	0	0	111.5	I491 F500 I501 I502 I530 M540 L542 I590	I491-F528 HydrophobicContact CD1-CE2 4.1Å; I491-F528 HydrophobicContact CD1-CZ 4.24Å; F500-F528 HydrophobicContact CD2-CD2 4.15Å; F500-F528 HydrophobicContact CE2-CB 4.21Å; F500-F528 AromaticContact CE2-CD2 3.61Å; F500-F528 HydrophobicContact CE2-CD2 3.61Å; F500-F528 HydrophobicContact CE2-CE2 4.23Å; F500-F528 HydrophobicContact CE2-CG 4.1Å; I501-F528 CarbonylContact O-C 3.54Å; I501-F528 WeakPolarHBondContact O-CA 3.47Å; I501-F528 WeakPolarHBondContact O-CB 3.14Å; I502-F528 HydrophobicContact CD1-CB 3.58Å; I502-F528 HydrophobicContact CD1-CG 4.46Å; F528-I530 HydrophobicContact CD2-CD1 4.22Å; F528-I530 HydrophobicContact CD2-CG1 4.15Å; F528-I530 HydrophobicContact CE2-CD1 3.63Å; F528-I530 HydrophobicContact CE2-CG1 4.07Å; F528-M540 HydrophobicContact CD1-CB 4.15Å; F528-M540 HydrophobicContact CD2-CB 4.05Å; F528-M540 HydrophobicContact CE1-CB 3.68Å; F528-M540 HydrophobicContact CE2-CB 3.6Å; F528-M540 HydrophobicContact CE2-CG 3.99Å; F528-M540 HydrophobicContact CE2-SD 3.53Å; F528-M540 VanDerWaalsContact CE2-SD 3.53Å; F528-M540 HydrophobicContact CG-CB 4.32Å; F528-M540 HydrophobicContact CZ-CB 3.41Å; F528-M540 VanDerWaalsContact CZ-CB 3.41Å; F528-M540 HydrophobicContact CZ-CG 4.09Å; F528-M540 HydrophobicContact CZ-SD 3.62Å; F528-M540 PolarHBondContact N-O 2.97Å; F528-M540 PolarHBondContact O-N 2.85Å; F528-L542 HydrophobicContact CD1-CB 4.24Å; F528-L542 HydrophobicContact CE1-CB 3.95Å; F528-I590 HydrophobicContact CE1-CG2 4.35Å; F528-I590 HydrophobicContact CZ-CG2 3.87Å
529	Y	97.1	Very high	87.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.9	-178.6	-52.7	-82.9	0	0	0	110.5	F500 I501 D503 I527 F538 K539 L596 L612 L641 L654	F500-Y529 WeakPolarHBondContact CA-O 3.35Å; I501-Y529 HydrophobicContact CD1-CD2 4.07Å; I501-Y529 HydrophobicContact CG1-CD2 3.98Å; I501-Y529 HydrophobicContact CG1-CG 4.44Å; I501-Y529 PolarHBondContact N-O 3.3Å; I501-Y529 VanDerWaalsContact N-O 3.08Å; I501-Y529 PolarHBondContact O-N 3.37Å; D503-Y529 HydrophobicContact CB-CE2 3.75Å; D503-Y529 PolarHBondContact OD2-OH 3.25Å; I527-Y529 HydrophobicContact CG2-CE1 4.42Å; I527-Y529 HydrophobicContact CG2-CE2 4.37Å; Y529-F538 VanDerWaalsContact CA-O 3.27Å; Y529-F538 WeakPolarHBondContact CA-O 3.27Å; Y529-K539 HydrophobicContact CD1-CB 3.99Å; Y529-K539 HydrophobicContact CD1-CG 4.14Å; Y529-K539 HydrophobicContact CE1-CB 3.83Å; Y529-K539 HydrophobicContact CE1-CD 3.98Å; Y529-K539 HydrophobicContact CE1-CG 3.54Å; Y529-L596 HydrophobicContact CD1-CD1 3.76Å; Y529-L596 HydrophobicContact CE1-CD1 3.86Å; Y529-L612 HydrophobicContact CE2-CD1 4.36Å; Y529-L641 HydrophobicContact CD1-CD2 4.33Å; Y529-L641 HydrophobicContact CD2-CD1 4.44Å; Y529-L641 HydrophobicContact CG-CD1 4.49Å; Y529-L641 HydrophobicContact CG-CD2 4.38Å; Y529-L654 HydrophobicContact CD1-CD2 4.44Å; Y529-L654 HydrophobicContact CE1-CD2 3.57Å; Y529-L654 HydrophobicContact CE2-CD1 4.46Å; Y529-L654 HydrophobicContact CE2-CD2 4.25Å; Y529-L654 VanDerWaalsContact CZ-CD2 3.49Å; Y529-L654 WeakPolarHBondContact OH-CD1 2.99Å; Y529-L654 WeakPolarHBondContact OH-CD2 3.26Å
530	I	95.7	Very high	89.2	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.4	174.6	-75.3	169.6	0	0	0	109.2	L352 I491 I497 G499 F500 F528 T532 V537 F538 M540	L352-I530 HydrophobicContact CD1-CD1 4.14Å; I491-I530 HydrophobicContact CD1-CD1 3.34Å; I497-I530 HydrophobicContact CB-CG2 4.42Å; I497-I530 HydrophobicContact CD1-CD1 3.93Å; I497-I530 HydrophobicContact CD1-CG1 4.45Å; I497-I530 HydrophobicContact CD1-CG2 3.85Å; I497-I530 HydrophobicContact CG1-CG2 3.81Å; I497-I530 HydrophobicContact CG2-CG2 3.97Å; G499-I530 CarbonylContact O-C 3.58Å; G499-I530 WeakPolarHBondContact O-CA 3.3Å; F500-I530 HydrophobicContact CD2-CG1 4.05Å; F528-I530 HydrophobicContact CD2-CD1 4.22Å; F528-I530 HydrophobicContact CD2-CG1 4.15Å; F528-I530 HydrophobicContact CE2-CD1 3.63Å; F528-I530 HydrophobicContact CE2-CG1 4.07Å; I530-T532 HydrophobicContact CG2-CG2 4.28Å; I530-V537 CarbonylContact O-C 3.48Å; I530-V537 VanDerWaalsContact O-CA 3.28Å; I530-V537 WeakPolarHBondContact O-CA 3.34Å; I530-F538 PolarHBondContact N-O 2.67Å; I530-F538 PolarHBondContact O-N 2.75Å; I530-M540 HydrophobicContact CD1-CE 4.08Å; I530-M540 HydrophobicContact CD1-SD 3.94Å
531	G	93.8	Very high	90.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.7	168.8	0	0	0	0	0	110.5	T498 G499	T498-G531 PolarHBondContact N-O 3.47Å; T498-G531 PolarHBondContact OG1-O 2.78Å; G499-G531 PolarHBondContact N-O 2.97Å; G499-G531 PolarHBondContact O-N 3.44Å
532	T	91	Very high	91.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	161.9	-176.9	68	0	0	0	0	112.8	S495 Q496 I530 N534 G535 D536 F538 I607	S495-T532 WeakPolarHBondContact OG-CB 3.37Å; S495-T532 WeakPolarHBondContact OG-CG2 3.24Å; Q496-T532 CarbonylContact O-C 3.47Å; Q496-T532 VanDerWaalsContact O-CA 3.27Å; Q496-T532 WeakPolarHBondContact O-CA 3.48Å; I530-T532 HydrophobicContact CG2-CG2 4.28Å; T532-N534 PolarHBondContact O-N 2.85Å; T532-G535 PolarHBondContact O-N 2.68Å; T532-D536 PolarHBondContact N-O 3Å; T532-D536 WeakPolarHBondContact OG1-CB 3.24Å; T532-D536 PolarHBondContact OG1-N 3.32Å; T532-D536 VanDerWaalsContact OG1-N 3.17Å; T532-D536 PolarHBondContact OG1-O 2.96Å; T532-D536 VanDerWaalsContact OG1-O 3.13Å; T532-F538 HydrophobicContact CG2-CD2 4.4Å; T532-F538 HydrophobicContact CG2-CE2 4.01Å; T532-I607 WeakPolarHBondContact O-CB 3.41Å; T532-I607 WeakPolarHBondContact O-CG1 3.34Å; T532-I607 PolarHBondContact O-N 2.79Å; T532-I607 VanDerWaalsContact O-N 3.12Å
533	N	86.9	Confident	92.2	Very high	48 Å²	48	11.2 Å²	11.2	26%	0.257	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.6	176.6	70.7	-27.3	0	0	0	114.9	S495 Q496 T498 K606	S495-N533 VanDerWaalsContact CB-OD1 3.25Å; S495-N533 WeakPolarHBondContact CB-OD1 3.3Å; Q496-N533 HydrophobicContact CB-CB 4.22Å; Q496-N533 PolarHBondContact N-OD1 2.84Å; Q496-N533 PolarHBondContact O-N 2.81Å; Q496-N533 PolarHBondContact O-OD1 2.82Å; T498-N533 HydrophobicContact CG2-CB 3.9Å; N533-K606 HydrophobicContact CB-CD 4.44Å; N533-K606 HydrophobicContact CB-CG 4.12Å; N533-K606 WeakPolarHBondContact O-CA 3.28Å; N533-K606 WeakPolarHBondContact O-CB 3.43Å
534	N	85.1	Confident	92.1	Very high	87 Å²	87	11.9 Å²	11.9	47%	0.465	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-2.2	175.1	-69.5	2.7	0	0	0	113.1	T532 S599	T532-N534 PolarHBondContact O-N 2.85Å; N534-S599 WeakPolarHBondContact O-CB 3.43Å; N534-S599 PolarHBondContact O-OG 3.1Å
535	G	88.1	Confident	91.4	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.065	C	C	.	.	S	Bend	trans	95	2.4	178.7	0	0	0	0	0	115.6	T532 N605	T532-G535 PolarHBondContact O-N 2.68Å; G535-N605 WeakPolarHBondContact CA-O 3.44Å; G535-N605 PolarHBondContact N-O 3.03Å
536	D	89.7	Confident	89.6	Confident	18 Å²	18	14.3 Å²	14.3	10%	0.096	7%	0.074	C	C	.	.			trans	-80.9	140.1	175.4	-60.1	-37.9	0	0	0	111.2	T532 F538 S583 Q595 S599	T532-D536 PolarHBondContact N-O 3Å; T532-D536 WeakPolarHBondContact OG1-CB 3.24Å; T532-D536 PolarHBondContact OG1-N 3.32Å; T532-D536 VanDerWaalsContact OG1-N 3.17Å; T532-D536 PolarHBondContact OG1-O 2.96Å; T532-D536 VanDerWaalsContact OG1-O 3.13Å; D536-F538 HydrophobicContact CB-CD2 4.46Å; D536-F538 HydrophobicContact CB-CE2 3.56Å; D536-F538 HydrophobicContact CB-CZ 3.65Å; D536-S583 PolarHBondContact OD2-OG 3.45Å; D536-Q595 VanDerWaalsContact CG-NE2 3.26Å; D536-Q595 PolarHBondContact OD1-NE2 3.17Å; D536-S599 PolarHBondContact OD1-N 2.75Å
537	V	93.3	Very high	87.4	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.5	172.6	-179.3	0	0	0	0	110.2	I530 Q595 L596 L597 I607 L610 L641 I643	I530-V537 CarbonylContact O-C 3.48Å; I530-V537 VanDerWaalsContact O-CA 3.28Å; I530-V537 WeakPolarHBondContact O-CA 3.34Å; V537-Q595 CarbonylContact O-C 3.56Å; V537-L596 HydrophobicContact CG1-CB 4.37Å; V537-L596 HydrophobicContact CG1-CD1 4.33Å; V537-L596 PolarHBondContact O-N 3.01Å; V537-L597 HydrophobicContact CB-CB 4.08Å; V537-L597 HydrophobicContact CG2-CB 4.22Å; V537-L597 HydrophobicContact CG2-CD2 4.45Å; V537-L597 PolarHBondContact N-O 3.05Å; V537-L597 PolarHBondContact O-N 2.98Å; V537-I607 HydrophobicContact CG2-CD1 4.06Å; V537-I607 HydrophobicContact CG2-CG1 3.89Å; V537-L610 HydrophobicContact CG1-CD2 4.47Å; V537-L610 HydrophobicContact CG2-CD2 4.29Å; V537-L641 HydrophobicContact CG1-CD2 3.69Å; V537-I643 HydrophobicContact CB-CD1 4.43Å; V537-I643 HydrophobicContact CG2-CD1 3.99Å; V537-I643 HydrophobicContact CG2-CG1 4.35Å; V537-I643 HydrophobicContact CG2-CG2 4.15Å
538	F	93.9	Very high	84.9	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.6	-177	-58.8	-79.7	0	0	0	111.4	Y529 I530 T532 D536 M540 L582 I584 Q595	Y529-F538 VanDerWaalsContact CA-O 3.27Å; Y529-F538 WeakPolarHBondContact CA-O 3.27Å; I530-F538 PolarHBondContact N-O 2.67Å; I530-F538 PolarHBondContact O-N 2.75Å; T532-F538 HydrophobicContact CG2-CD2 4.4Å; T532-F538 HydrophobicContact CG2-CE2 4.01Å; D536-F538 HydrophobicContact CB-CD2 4.46Å; D536-F538 HydrophobicContact CB-CE2 3.56Å; D536-F538 HydrophobicContact CB-CZ 3.65Å; F538-M540 HydrophobicContact CB-CE 3.94Å; F538-M540 HydrophobicContact CB-CG 4.38Å; F538-M540 HydrophobicContact CG-CE 4.39Å; F538-L582 HydrophobicContact CD1-CD2 4.47Å; F538-L582 HydrophobicContact CE1-CD2 3.84Å; F538-I584 HydrophobicContact CD1-CG2 3.83Å; F538-I584 HydrophobicContact CD2-CD1 3.97Å; F538-I584 HydrophobicContact CD2-CG2 4.29Å; F538-I584 HydrophobicContact CE1-CG2 3.44Å; F538-I584 VanDerWaalsContact CE1-CG2 3.44Å; F538-I584 HydrophobicContact CE2-CB 4.35Å; F538-I584 HydrophobicContact CE2-CD1 4.1Å; F538-I584 HydrophobicContact CE2-CG2 3.92Å; F538-I584 HydrophobicContact CG-CD1 4.48Å; F538-I584 HydrophobicContact CG-CG2 4.24Å; F538-I584 HydrophobicContact CZ-CB 4.23Å; F538-I584 HydrophobicContact CZ-CG2 3.49Å; F538-I584 VanDerWaalsContact CZ-CG2 3.49Å; F538-Q595 HydrophobicContact CD1-CB 3.96Å; F538-Q595 HydrophobicContact CD1-CG 3.98Å; F538-Q595 HydrophobicContact CE1-CB 3.93Å; F538-Q595 HydrophobicContact CE1-CG 3.66Å; F538-Q595 HydrophobicContact CZ-CG 4.36Å
539	K	95.2	Very high	82.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.2	165.7	-177.8	176.5	-170.2	-176.1	0	108.2	I527 Y529 I593 S594 L596 L654 D671 D673	I527-K539 HydrophobicContact CG2-CG 4.11Å; Y529-K539 HydrophobicContact CD1-CB 3.99Å; Y529-K539 HydrophobicContact CD1-CG 4.14Å; Y529-K539 HydrophobicContact CE1-CB 3.83Å; Y529-K539 HydrophobicContact CE1-CD 3.98Å; Y529-K539 HydrophobicContact CE1-CG 3.54Å; K539-I593 HydrophobicContact CB-CB 4.41Å; K539-I593 HydrophobicContact CD-CB 4.4Å; K539-I593 HydrophobicContact CD-CD1 4.26Å; K539-I593 HydrophobicContact CD-CG2 4.15Å; K539-I593 HydrophobicContact CG-CB 4.13Å; K539-I593 HydrophobicContact CG-CD1 3.97Å; K539-I593 HydrophobicContact CG-CG2 4.42Å; K539-I593 PolarHBondContact O-N 3.43Å; K539-S594 PolarHBondContact N-O 2.88Å; K539-S594 PolarHBondContact O-N 3.06Å; K539-L596 HydrophobicContact CB-CD1 4.15Å; K539-L596 HydrophobicContact CB-CD2 4.32Å; K539-L596 HydrophobicContact CB-CG 4.07Å; K539-L654 PolarHBondContact NZ-O 3.01Å; K539-D671 IonicContact NZ-OD1 3.9Å; K539-D671 PolarHBondContact NZ-OD1 3.13Å; K539-D671 IonicContact NZ-OD2 2.71Å; K539-D671 PolarHBondContact NZ-OD2 2.88Å; K539-D673 IonicContact NZ-OD2 2.98Å; K539-D673 PolarHBondContact NZ-OD2 2.86Å
540	M	95.3	Very high	79.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.4	-176.3	-63.1	-164.9	179.1	0	0	111.8	I491 I527 F528 I530 F538 I584 T586 I590 H591 I592	I491-M540 HydrophobicContact CD1-SD 3.94Å; I491-M540 HydrophobicContact CG2-CE 4.38Å; I527-M540 WeakPolarHBondContact CA-O 3.46Å; F528-M540 HydrophobicContact CD1-CB 4.15Å; F528-M540 HydrophobicContact CD2-CB 4.05Å; F528-M540 HydrophobicContact CE1-CB 3.68Å; F528-M540 HydrophobicContact CE2-CB 3.6Å; F528-M540 HydrophobicContact CE2-CG 3.99Å; F528-M540 HydrophobicContact CE2-SD 3.53Å; F528-M540 VanDerWaalsContact CE2-SD 3.53Å; F528-M540 HydrophobicContact CG-CB 4.32Å; F528-M540 HydrophobicContact CZ-CB 3.41Å; F528-M540 VanDerWaalsContact CZ-CB 3.41Å; F528-M540 HydrophobicContact CZ-CG 4.09Å; F528-M540 HydrophobicContact CZ-SD 3.62Å; F528-M540 PolarHBondContact N-O 2.97Å; F528-M540 PolarHBondContact O-N 2.85Å; I530-M540 HydrophobicContact CD1-CE 4.08Å; I530-M540 HydrophobicContact CD1-SD 3.94Å; F538-M540 HydrophobicContact CB-CE 3.94Å; F538-M540 HydrophobicContact CB-CG 4.38Å; F538-M540 HydrophobicContact CG-CE 4.39Å; M540-I584 HydrophobicContact CE-CD1 3.42Å; M540-I584 VanDerWaalsContact CE-CD1 3.42Å; M540-I584 HydrophobicContact CE-CG1 4.12Å; M540-T586 HydrophobicContact CE-CG2 4.06Å; M540-T586 HydrophobicContact SD-CG2 4.14Å; M540-I590 HydrophobicContact CB-CG2 4.5Å; M540-I590 HydrophobicContact SD-CG2 3.92Å; M540-H591 CarbonylContact C-O 3.58Å; M540-H591 WeakPolarHBondContact CA-O 3.13Å; M540-I592 HydrophobicContact CE-CG1 4.07Å
541	L	94.5	Very high	76.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.6	176.3	-174.6	65.3	0	0	0	109.2	Y525 I527 F543 I590 H591 I593 P672	Y525-L541 HydrophobicContact CD2-CD1 3.45Å; Y525-L541 VanDerWaalsContact CD2-CD1 3.45Å; Y525-L541 HydrophobicContact CE2-CD1 4.27Å; Y525-L541 HydrophobicContact CG-CD1 3.96Å; I527-L541 HydrophobicContact CG1-CD1 4Å; L541-F543 HydrophobicContact CD2-CE1 3.82Å; L541-F543 HydrophobicContact CD2-CE2 4.03Å; L541-F543 HydrophobicContact CD2-CZ 3.39Å; L541-F543 HydrophobicContact CG-CE1 4.31Å; L541-F543 HydrophobicContact CG-CE2 4.43Å; L541-F543 HydrophobicContact CG-CZ 4.1Å; L541-I590 CarbonylContact O-C 3.4Å; L541-I590 WeakPolarHBondContact O-CA 3.38Å; L541-H591 HydrophobicContact CB-CB 4.32Å; L541-H591 PolarHBondContact N-O 2.84Å; L541-H591 PolarHBondContact O-N 2.89Å; L541-I593 HydrophobicContact CB-CD1 3.81Å; L541-I593 HydrophobicContact CB-CG1 3.91Å; L541-P672 HydrophobicContact CD1-CG 3.96Å
542	L	93.9	Very high	73.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131	172	177.1	65.7	0	0	0	109.7	Y350 L380 I382 F488 Y525 T526 F528 N544 N589 I590	Y350-L542 HydrophobicContact CE1-CD2 4.31Å; L380-L542 HydrophobicContact CD2-CD1 4.02Å; L380-L542 HydrophobicContact CD2-CD2 4.01Å; I382-L542 HydrophobicContact CD1-CD2 3.59Å; F488-L542 HydrophobicContact CB-CD1 4.11Å; F488-L542 HydrophobicContact CD1-CD1 4.39Å; Y525-L542 CarbonylContact C-O 3.58Å; Y525-L542 WeakPolarHBondContact CA-O 3.43Å; Y525-L542 WeakPolarHBondContact CB-O 3.18Å; T526-L542 PolarHBondContact N-O 2.86Å; T526-L542 PolarHBondContact O-N 3.13Å; F528-L542 HydrophobicContact CD1-CB 4.24Å; F528-L542 HydrophobicContact CE1-CB 3.95Å; L542-N544 PolarHBondContact O-OD1 3.07Å; L542-N589 WeakPolarHBondContact CA-O 3.3Å; L542-N589 HydrophobicContact CD1-CB 4.13Å; L542-I590 HydrophobicContact CD1-CG1 3.89Å
543	F	90.7	Very high	70.7	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.1	167.9	-60.2	-72.4	0	0	0	110.8	I523 L541 F556 N589 I693 L694	I523-F543 HydrophobicContact CG2-CD1 3.74Å; I523-F543 HydrophobicContact CG2-CE1 4.35Å; L541-F543 HydrophobicContact CD2-CE1 3.82Å; L541-F543 HydrophobicContact CD2-CE2 4.03Å; L541-F543 HydrophobicContact CD2-CZ 3.39Å; L541-F543 HydrophobicContact CG-CE1 4.31Å; L541-F543 HydrophobicContact CG-CE2 4.43Å; L541-F543 HydrophobicContact CG-CZ 4.1Å; F543-F556 HydrophobicContact CD2-CE1 4Å; F543-F556 HydrophobicContact CD2-CZ 4.11Å; F543-F556 AromaticContact CE2-CE1 3.95Å; F543-F556 HydrophobicContact CE2-CE1 3.95Å; F543-F556 HydrophobicContact CE2-CZ 4.49Å; F543-N589 HydrophobicContact CB-CB 4.18Å; F543-N589 PolarHBondContact N-O 3.47Å; F543-N589 WeakPolarHBondContact O-CB 3.43Å; F543-N589 PolarHBondContact O-ND2 3.2Å; F543-I693 HydrophobicContact CE1-CD1 4.2Å; F543-I693 HydrophobicContact CE1-CG1 4.48Å; F543-L694 HydrophobicContact CD1-CD2 4.36Å; F543-L694 HydrophobicContact CE1-CD2 3.67Å; F543-L694 HydrophobicContact CZ-CD2 4.05Å
544	N	82.4	Confident	68.4	Low	18 Å²	18	62 Å²	62	10%	0.096	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-34.1	-171.6	-63.5	29.2	0	0	0	112.4	R484 R524 T526 L542	R484-N544 PolarHBondContact NE-O 3.47Å; R484-N544 VanDerWaalsContact NH2-C 3.29Å; R484-N544 PolarHBondContact NH2-O 3.02Å; R524-N544 HydrophobicContact CB-CB 4.04Å; R524-N544 PolarHBondContact O-N 3.15Å; T526-N544 PolarHBondContact N-OD1 3.48Å; T526-N544 PolarHBondContact OG1-ND2 2.91Å; T526-N544 PolarHBondContact OG1-OD1 2.8Å; L542-N544 PolarHBondContact O-OD1 3.07Å
545	E	73.5	Confident	65.9	Low	89 Å²	89	64.6 Å²	64.6	42%	0.416	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	121.7	179.6	-74.7	171	-178.6	0	0	108.3	R524	R524-E545 HydrophobicContact CB-CB 4.48Å; R524-E545 WeakPolarHBondContact CD-OE2 3.04Å; R524-E545 IonicContact CZ-OE2 3.84Å; R524-E545 IonicContact NE-OE2 3.27Å; R524-E545 IonicContact NH1-OE1 3.12Å; R524-E545 PolarHBondContact NH1-OE1 2.92Å; R524-E545 IonicContact NH1-OE2 3Å; R524-E545 PolarHBondContact NH1-OE2 2.89Å
546	I	54.5	Low	63.6	Low	37 Å²	37	68.4 Å²	68.4	19%	0.19	34%	0.339	C	S	.	.			trans	-113.8	111	158.2	-55.9	173.7	0	0	0	101.5	K521 D548 F556	K521-I546 VanDerWaalsContact NZ-CG2 3.28Å; I546-D548 PolarHBondContact O-N 3.14Å; I546-D548 VanDerWaalsContact O-N 3.07Å; I546-F556 HydrophobicContact CD1-CE2 4.16Å; I546-F556 HydrophobicContact CD1-CZ 3.95Å
547	E	49.3	Very low	60.8	Low	122 Å²	122	72.6 Å²	72.6	57%	0.57	37%	0.365	S	S	*	.			trans	-52.6	120.8	176.4	-69.8	175.6	160.9	0	0	109	N549	E547-N549 PolarHBondContact O-N 2.82Å
548	D	42.3	Very low	57.9	Low	143 Å²	143	77 Å²	77	77%	0.765	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	11.9	-172.9	-82.7	-24.5	0	0	0	113.3	I546 S550	I546-D548 PolarHBondContact O-N 3.14Å; I546-D548 VanDerWaalsContact O-N 3.07Å; D548-S550 VanDerWaalsContact C-N 3.28Å; D548-S550 PolarHBondContact O-N 3.3Å
549	N	37.9	Very low	54.8	Low	159 Å²	159	81.2 Å²	81.2	85%	0.85	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	12.4	179.6	-76	-1.5	0	0	0	114.8	E547	E547-N549 PolarHBondContact O-N 2.82Å
550	S	34.3	Very low	51.4	Low	56 Å²	56	86 Å²	86	39%	0.392	45%	0.452	S	S	.	.			trans	-119.4	90.7	164.8	62	0	0	0	0	109.6	D548 E552	D548-S550 VanDerWaalsContact C-N 3.28Å; D548-S550 PolarHBondContact O-N 3.3Å; S550-E552 PolarHBondContact O-N 2.89Å
551	P	39	Very low	48.1	Very low	118 Å²	118	97 Å²	97	77%	0.766	50%	0.495	S	S	*	.			trans	-79.9	71.1	173.5	33.5	-31	0	0	0	108.8
552	E	32.7	Very low	44.8	Very low	170 Å²	170	100 Å²	100	79%	0.794	53%	0.526	S	S	*	.	S	Bend	trans	175.1	135.8	159.3	-102.7	156.9	-172.4	0	0	110.6	S550	S550-E552 PolarHBondContact O-N 2.89Å
553	Y	31.8	Very low	41.6	Very low	185 Å²	185	106.1 Å²	106.1	73%	0.725	56%	0.559	S	S	*	*			trans	69.1	49.4	160.8	-96.1	-89	0	0	0	119.7
554	F	38.8	Very low	38.6	Very low	97 Å²	97	114.3 Å²	114.3	43%	0.425	60%	0.597	S	S	.	*			trans	-110.3	72.1	135	-73.1	-81.1	0	0	0	108	F556	F554-F556 PolarHBondContact O-N 2.77Å
555	Q	32.2	Very low	36.1	Very low	143 Å²	143	117.5 Å²	117.5	67%	0.668	62%	0.621	S	S	*	*			trans	-59.5	93.6	147.2	-75	179.4	-19.2	0	0	104.6	T557	Q555-T557 VanDerWaalsContact C-N 3.27Å; Q555-T557 PolarHBondContact O-N 2.88Å
556	F	40.3	Very low	34.4	Very low	80 Å²	80	119.3 Å²	119.3	35%	0.351	64%	0.638	S	S	.	*			trans	-44.4	115	143.7	-70	-81.1	0	0	0	102.9	F543 I546 F554 S558	F543-F556 HydrophobicContact CD2-CE1 4Å; F543-F556 HydrophobicContact CD2-CZ 4.11Å; F543-F556 AromaticContact CE2-CE1 3.95Å; F543-F556 HydrophobicContact CE2-CE1 3.95Å; F543-F556 HydrophobicContact CE2-CZ 4.49Å; I546-F556 HydrophobicContact CD1-CE2 4.16Å; I546-F556 HydrophobicContact CD1-CZ 3.95Å; F554-F556 PolarHBondContact O-N 2.77Å; F556-S558 PolarHBondContact O-N 2.73Å
557	T	30.5	Very low	33.5	Very low	107 Å²	107	123.6 Å²	123.6	66%	0.656	67%	0.671	S	S	*	*			trans	-62.9	78.4	168.5	50.5	0	0	0	0	105.3	Q555 N559	Q555-T557 VanDerWaalsContact C-N 3.27Å; Q555-T557 PolarHBondContact O-N 2.88Å; T557-N559 VanDerWaalsContact C-N 3.3Å; T557-N559 PolarHBondContact O-N 2.68Å; T557-N559 VanDerWaalsContact O-N 3.08Å
558	S	32	Very low	32.7	Very low	92 Å²	92	122.8 Å²	122.8	64%	0.643	67%	0.674	S	S	*	*			trans	-50.6	114.2	143.5	58.3	0	0	0	0	102.1	F556 S560	F556-S558 PolarHBondContact O-N 2.73Å; S558-S560 PolarHBondContact O-N 2.95Å
559	N	30.1	Very low	32.1	Very low	89 Å²	89	123 Å²	123	48%	0.476	66%	0.664	S	S	.	*			trans	-62.8	76	171.3	-75.8	-21.2	0	0	0	107.2	T557 Q579	T557-N559 VanDerWaalsContact C-N 3.3Å; T557-N559 PolarHBondContact O-N 2.68Å; T557-N559 VanDerWaalsContact O-N 3.08Å; N559-Q579 VanDerWaalsContact CB-OE1 3.25Å; N559-Q579 VanDerWaalsContact ND2-CD 3.26Å; N559-Q579 PolarHBondContact ND2-NE2 2.6Å; N559-Q579 PolarHBondContact ND2-OE1 3.02Å
560	S	23.8	Very low	31.7	Very low	99 Å²	99	126.2 Å²	126.2	69%	0.692	67%	0.665	S	S	*	*			trans	-101.1	109.3	175.3	-169	0	0	0	0	105.6	S558 G562	S558-S560 PolarHBondContact O-N 2.95Å; S560-G562 PolarHBondContact O-N 3.26Å; S560-G562 VanDerWaalsContact O-N 3.16Å
561	Y	25.1	Very low	31.5	Very low	232 Å²	232	129.9 Å²	129.9	91%	0.91	68%	0.679	S	S	*	*			trans	-43.4	111.5	168.5	-104.6	-107.4	0	0	0	110.7
562	G	25.5	Very low	31.2	Very low	64 Å²	64	128.9 Å²	128.9	66%	0.66	67%	0.667	S	S	*	*			trans	-176.6	83.2	177.6	0	0	0	0	0	114.3	S560	S560-G562 PolarHBondContact O-N 3.26Å; S560-G562 VanDerWaalsContact O-N 3.16Å
563	N	27.6	Very low	31.2	Very low	127 Å²	127	124.2 Å²	124.2	68%	0.679	65%	0.653	S	S	*	*			trans	19.3	135.2	156.6	-63.6	-15	0	0	0	123.3
564	H	26.3	Very low	31.3	Very low	173 Å²	173	123 Å²	123	80%	0.801	65%	0.654	S	S	*	*			trans	87.2	71.2	158.3	-61.3	-67.2	0	0	0	120.4
565	S	30.7	Very low	31.2	Very low	86 Å²	86	124.9 Å²	124.9	60%	0.601	66%	0.662	S	S	*	*			trans	-160.9	120.5	133.9	60.2	0	0	0	0	109.4
566	T	37.8	Very low	31.3	Very low	127 Å²	127	122.1 Å²	122.1	78%	0.779	65%	0.652	S	S	*	*			trans	-94.4	1.3	-159.7	36.5	0	0	0	0	116.6
567	S	34.6	Very low	31.3	Very low	126 Å²	126	123.8 Å²	123.8	88%	0.881	66%	0.663	S	S	*	*	S	Bend	trans	-100.9	-22.9	-174.2	-123.4	0	0	0	0	116.3
568	T	32.7	Very low	31.5	Very low	105 Å²	105	124 Å²	124	64%	0.644	66%	0.657	S	S	*	*	S	Bend	trans	-93.1	3.1	175.4	44.2	0	0	0	0	113.3
569	R	30.8	Very low	31.9	Very low	147 Å²	147	125.3 Å²	125.3	56%	0.555	65%	0.653	S	S	*	*	S	Bend	trans	-90.6	-15.7	-162.7	-146.2	177.5	-159.4	-169.3	5.6	116.1
570	R	29.1	Very low	32.5	Very low	227 Å²	227	125.7 Å²	125.7	86%	0.857	66%	0.662	S	S	*	*	S	Bend	trans	-98.6	-15.6	-174.9	-77	-172	-176.3	168.8	2.3	115.8	S573	R570-S573 PolarHBondContact O-OG 3Å
571	L	30.6	Very low	33.8	Very low	134 Å²	134	127.1 Å²	127.1	70%	0.702	66%	0.661	S	S	*	*	S	Bend	trans	-104.3	-11.1	-173.9	-72.4	163.2	0	0	0	114.7	S573	L571-S573 VanDerWaalsContact C-N 3.31Å
572	L	33	Very low	35.4	Very low	97 Å²	97	117.4 Å²	117.4	51%	0.508	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	5.2	173.4	-74.4	160.6	0	0	0	113.4	N576 F697	L572-N576 PolarHBondContact O-ND2 3.06Å; L572-F697 HydrophobicContact CD2-CE1 4.43Å; L572-F697 HydrophobicContact CD2-CZ 4.03Å
573	S	31.3	Very low	37.6	Very low	72 Å²	72	115.4 Å²	115.4	50%	0.503	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-16.2	-178.9	62.2	0	0	0	0	114.6	R570 L571	R570-S573 PolarHBondContact O-OG 3Å; L571-S573 VanDerWaalsContact C-N 3.31Å
574	H	33.4	Very low	40.3	Very low	159 Å²	159	109.7 Å²	109.7	74%	0.736	57%	0.57	S	S	*	*	S	Bend	trans	-89	-16	-177.4	-78.9	87.2	0	0	0	114.5
575	F	38.7	Very low	43.2	Very low	136 Å²	136	104 Å²	104	60%	0.596	55%	0.549	S	S	*	.	S	Bend	trans	-131.8	44	175.6	-74.9	-80	0	0	0	111.6	E665	F575-E665 HydrophobicContact CD1-CG 4.34Å; F575-E665 HydrophobicContact CD2-CG 4.02Å; F575-E665 HydrophobicContact CE1-CG 3.92Å; F575-E665 HydrophobicContact CE2-CG 3.57Å; F575-E665 VanDerWaalsContact CE2-OE1 3.25Å; F575-E665 WeakPolarHBondContact CE2-OE1 3.28Å; F575-E665 HydrophobicContact CG-CG 4.38Å; F575-E665 HydrophobicContact CZ-CG 3.52Å; F575-E665 WeakPolarHBondContact CZ-OE1 3.3Å
576	N	34.3	Very low	46	Very low	85 Å²	85	101.8 Å²	101.8	46%	0.455	53%	0.532	S	S	.	.			trans	-85.4	110.5	145.7	-75.7	-48.4	0	0	0	105.2	L572 H578	L572-N576 PolarHBondContact O-ND2 3.06Å; N576-H578 PolarHBondContact O-N 2.77Å
577	I	39.7	Very low	48.4	Very low	116 Å²	116	98.7 Å²	98.7	60%	0.595	52%	0.516	S	S	*	.			trans	-50.9	105.4	143.7	-62.7	167.3	0	0	0	102.4	Q579 L582	I577-Q579 PolarHBondContact O-N 2.79Å; I577-L582 HydrophobicContact CG2-CD1 3.6Å; I577-L582 HydrophobicContact CG2-CG 4.07Å
578	H	33.6	Very low	50.8	Low	112 Å²	112	94.9 Å²	94.9	52%	0.519	50%	0.496	S	S	.	.			trans	-46.2	108.2	-179.1	-95.7	-99.4	0	0	0	106.4	N576 S580 I581	N576-H578 PolarHBondContact O-N 2.77Å; H578-S580 WeakPolarHBondContact CB-OG 3.29Å; H578-S580 PolarHBondContact ND1-OG 2.96Å; H578-S580 PolarHBondContact O-N 2.81Å; H578-I581 HydrophobicContact CB-CB 4.13Å; H578-I581 HydrophobicContact CB-CD1 3.61Å; H578-I581 HydrophobicContact CB-CG1 3.59Å; H578-I581 PolarHBondContact O-N 2.78Å
579	Q	40.7	Very low	53.6	Low	119 Å²	119	90.9 Å²	90.9	56%	0.556	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16	172.6	-79.9	174.8	-22	0	0	110.1	N559 I577 I581	N559-Q579 VanDerWaalsContact CB-OE1 3.25Å; N559-Q579 VanDerWaalsContact ND2-CD 3.26Å; N559-Q579 PolarHBondContact ND2-NE2 2.6Å; N559-Q579 PolarHBondContact ND2-OE1 3.02Å; I577-Q579 PolarHBondContact O-N 2.79Å; Q579-I581 VanDerWaalsContact C-N 3.32Å
580	S	42.8	Very low	56.5	Low	96 Å²	96	84.3 Å²	84.3	67%	0.671	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.4	167.9	62	0	0	0	0	115.3	H578	H578-S580 WeakPolarHBondContact CB-OG 3.29Å; H578-S580 PolarHBondContact ND1-OG 2.96Å; H578-S580 PolarHBondContact O-N 2.81Å
581	I	51.3	Low	59.4	Low	130 Å²	130	75.7 Å²	75.7	67%	0.667	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-29.1	178.4	-63.2	175.1	0	0	0	111.7	H578 Q579 S583	H578-I581 HydrophobicContact CB-CB 4.13Å; H578-I581 HydrophobicContact CB-CD1 3.61Å; H578-I581 HydrophobicContact CB-CG1 3.59Å; H578-I581 PolarHBondContact O-N 2.78Å; Q579-I581 VanDerWaalsContact C-N 3.32Å; I581-S583 PolarHBondContact O-N 2.92Å
582	L	59.5	Low	62.4	Low	27 Å²	27	70.7 Å²	70.7	14%	0.141	39%	0.389	C	S	.	.			trans	-66.7	128.2	178.1	-77.2	147.9	0	0	0	110.3	F538 I577 I584	F538-L582 HydrophobicContact CD1-CD2 4.47Å; F538-L582 HydrophobicContact CE1-CD2 3.84Å; I577-L582 HydrophobicContact CG2-CD1 3.6Å; I577-L582 HydrophobicContact CG2-CG 4.07Å; L582-I584 HydrophobicContact CD2-CG2 4.27Å; L582-I584 PolarHBondContact O-N 2.96Å; L582-I584 VanDerWaalsContact O-N 3.16Å
583	S	72	Confident	65.1	Low	23 Å²	23	66.6 Å²	66.6	16%	0.161	37%	0.368	C	S	.	.	S	Bend	trans	-71.3	-1.1	174.7	56.8	0	0	0	0	113.6	R494 D536 I581	R494-S583 PolarHBondContact N-O 2.86Å; D536-S583 PolarHBondContact OD2-OG 3.45Å; I581-S583 PolarHBondContact O-N 2.92Å
584	I	84.2	Confident	67.9	Low	7 Å²	7	64.1 Å²	64.1	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135	-168.8	-167.7	158.4	0	0	0	110.7	I491 E492 F538 M540 L582 I592	I491-I584 HydrophobicContact CG2-CD1 3.6Å; I491-I584 HydrophobicContact CG2-CG1 3.78Å; E492-I584 CarbonylContact O-C 3.48Å; E492-I584 VanDerWaalsContact O-CA 3.32Å; E492-I584 WeakPolarHBondContact O-CA 3.26Å; F538-I584 HydrophobicContact CD1-CG2 3.83Å; F538-I584 HydrophobicContact CD2-CD1 3.97Å; F538-I584 HydrophobicContact CD2-CG2 4.29Å; F538-I584 HydrophobicContact CE1-CG2 3.44Å; F538-I584 VanDerWaalsContact CE1-CG2 3.44Å; F538-I584 HydrophobicContact CE2-CB 4.35Å; F538-I584 HydrophobicContact CE2-CD1 4.1Å; F538-I584 HydrophobicContact CE2-CG2 3.92Å; F538-I584 HydrophobicContact CG-CD1 4.48Å; F538-I584 HydrophobicContact CG-CG2 4.24Å; F538-I584 HydrophobicContact CZ-CB 4.23Å; F538-I584 HydrophobicContact CZ-CG2 3.49Å; F538-I584 VanDerWaalsContact CZ-CG2 3.49Å; M540-I584 HydrophobicContact CE-CD1 3.42Å; M540-I584 VanDerWaalsContact CE-CD1 3.42Å; M540-I584 HydrophobicContact CE-CG1 4.12Å; L582-I584 HydrophobicContact CD2-CG2 4.27Å; L582-I584 PolarHBondContact O-N 2.96Å; L582-I584 VanDerWaalsContact O-N 3.16Å; I584-I592 HydrophobicContact CG2-CD1 3.87Å
585	S	87.1	Confident	70.5	Confident	52 Å²	52	58.7 Å²	58.7	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	152	172	57.5	0	0	0	0	109.4	E492	E492-S585 VanDerWaalsContact CB-OG 3.3Å; E492-S585 WeakPolarHBondContact CB-OG 3.49Å; E492-S585 PolarHBondContact N-O 2.81Å; E492-S585 PolarHBondContact O-N 3.46Å; E492-S585 PolarHBondContact O-OG 3.25Å; E492-S585 PolarHBondContact OE2-OG 3.02Å
586	T	89.5	Confident	72.6	Confident	40 Å²	40	52.8 Å²	52.8	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.9	179	54.9	0	0	0	0	110.2	M490 I491 M540 I590 I592	M490-T586 CarbonylContact O-C 3.45Å; M490-T586 VanDerWaalsContact O-CA 3.27Å; M490-T586 WeakPolarHBondContact O-CA 3.46Å; I491-T586 HydrophobicContact CG1-CG2 4.24Å; I491-T586 HydrophobicContact CG2-CG2 4.42Å; M540-T586 HydrophobicContact CE-CG2 4.06Å; M540-T586 HydrophobicContact SD-CG2 4.14Å; T586-I590 HydrophobicContact CG2-CB 4.49Å; T586-I590 HydrophobicContact CG2-CG2 3.73Å; T586-I590 PolarHBondContact OG1-O 2.68Å; T586-I592 HydrophobicContact CG2-CD1 3.93Å; T586-I592 HydrophobicContact CG2-CG1 3.72Å
587	S	86.6	Confident	74.9	Confident	63 Å²	63	50.2 Å²	50.2	44%	0.441	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	167.9	174.8	65.8	0	0	0	0	111.7	G489 M490	G489-S587 CarbonylContact C-O 3.6Å; G489-S587 WeakPolarHBondContact CA-O 3.1Å; M490-S587 WeakPolarHBondContact CB-OG 3.41Å; M490-S587 PolarHBondContact N-O 2.81Å; M490-S587 PolarHBondContact O-N 3.16Å
588	G	87.1	Confident	76.6	Confident	45 Å²	45	49.7 Å²	49.7	46%	0.464	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.4	-134.5	-172.3	0	0	0	0	0	110.8	I590	G588-I590 VanDerWaalsContact C-N 3.27Å; G588-I590 PolarHBondContact O-N 2.82Å
589	N	89.7	Confident	78.5	Confident	21 Å²	21	46 Å²	46	11%	0.112	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12	-174.4	-62.7	2.8	0	0	0	114	R484 F488 L542 F543	R484-N589 PolarHBondContact NH1-ND2 2.83Å; R484-N589 PolarHBondContact NH2-ND2 3.41Å; F488-N589 WeakPolarHBondContact O-CB 3.49Å; F488-N589 PolarHBondContact O-N 3.45Å; L542-N589 WeakPolarHBondContact CA-O 3.3Å; L542-N589 HydrophobicContact CD1-CB 4.13Å; F543-N589 HydrophobicContact CB-CB 4.18Å; F543-N589 PolarHBondContact N-O 3.47Å; F543-N589 WeakPolarHBondContact O-CB 3.43Å; F543-N589 PolarHBondContact O-ND2 3.2Å
590	I	92.4	Very high	79.7	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.5	-177.7	-58.6	171.4	0	0	0	108.7	L380 I491 F528 M540 L541 L542 T586 G588	L380-I590 HydrophobicContact CB-CD1 3.98Å; L380-I590 HydrophobicContact CD2-CD1 3.79Å; L380-I590 HydrophobicContact CD2-CG1 4.25Å; I491-I590 HydrophobicContact CD1-CD1 4.2Å; I491-I590 HydrophobicContact CG1-CD1 3.82Å; F528-I590 HydrophobicContact CE1-CG2 4.35Å; F528-I590 HydrophobicContact CZ-CG2 3.87Å; M540-I590 HydrophobicContact CB-CG2 4.5Å; M540-I590 HydrophobicContact SD-CG2 3.92Å; L541-I590 CarbonylContact O-C 3.4Å; L541-I590 WeakPolarHBondContact O-CA 3.38Å; L542-I590 HydrophobicContact CD1-CG1 3.89Å; T586-I590 HydrophobicContact CG2-CB 4.49Å; T586-I590 HydrophobicContact CG2-CG2 3.73Å; T586-I590 PolarHBondContact OG1-O 2.68Å; G588-I590 VanDerWaalsContact C-N 3.27Å; G588-I590 PolarHBondContact O-N 2.82Å
591	H	91.1	Very high	80.4	Confident	45 Å²	45	50 Å²	50	21%	0.208	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.1	175.2	179.3	-98.2	0	0	0	110.1	M540 L541 R670	M540-H591 CarbonylContact C-O 3.58Å; M540-H591 WeakPolarHBondContact CA-O 3.13Å; L541-H591 HydrophobicContact CB-CB 4.32Å; L541-H591 PolarHBondContact N-O 2.84Å; L541-H591 PolarHBondContact O-N 2.89Å; H591-R670 PolarHBondContact CD2-NH1 3.06Å; H591-R670 PolarHBondContact NE2-NH1 2.79Å; H591-R670 VanDerWaalsContact NE2-NH1 3.2Å
592	I	92	Very high	80.3	Confident	29 Å²	29	53.4 Å²	53.4	15%	0.149	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.1	174.2	-59.2	163.6	0	0	0	107.6	M540 I584 T586	M540-I592 HydrophobicContact CE-CG1 4.07Å; I584-I592 HydrophobicContact CG2-CD1 3.87Å; T586-I592 HydrophobicContact CG2-CD1 3.93Å; T586-I592 HydrophobicContact CG2-CG1 3.72Å
593	I	90.5	Very high	80	Confident	11 Å²	11	57.7 Å²	57.7	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-56.2	174.8	-66.9	167.4	0	0	0	109.1	I527 K539 L541 D671	I527-I593 HydrophobicContact CD1-CD1 4.35Å; K539-I593 HydrophobicContact CB-CB 4.41Å; K539-I593 HydrophobicContact CD-CB 4.4Å; K539-I593 HydrophobicContact CD-CD1 4.26Å; K539-I593 HydrophobicContact CD-CG2 4.15Å; K539-I593 HydrophobicContact CG-CB 4.13Å; K539-I593 HydrophobicContact CG-CD1 3.97Å; K539-I593 HydrophobicContact CG-CG2 4.42Å; K539-I593 PolarHBondContact O-N 3.43Å; L541-I593 HydrophobicContact CB-CD1 3.81Å; L541-I593 HydrophobicContact CB-CG1 3.91Å; I593-D671 HydrophobicContact CG2-CB 3.65Å
594	S	89.7	Confident	79.6	Confident	21 Å²	21	63.2 Å²	63.2	15%	0.147	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	158.5	-175.1	62.9	0	0	0	0	111.9	K539	K539-S594 PolarHBondContact N-O 2.88Å; K539-S594 PolarHBondContact O-N 3.06Å
595	Q	88	Confident	79.4	Confident	44 Å²	44	65.4 Å²	65.4	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.7	165.4	-174.7	172.1	-2.5	0	0	108	D536 V537 F538 L597 I598	D536-Q595 VanDerWaalsContact CG-NE2 3.26Å; D536-Q595 PolarHBondContact OD1-NE2 3.17Å; V537-Q595 CarbonylContact O-C 3.56Å; F538-Q595 HydrophobicContact CD1-CB 3.96Å; F538-Q595 HydrophobicContact CD1-CG 3.98Å; F538-Q595 HydrophobicContact CE1-CB 3.93Å; F538-Q595 HydrophobicContact CE1-CG 3.66Å; F538-Q595 HydrophobicContact CZ-CG 4.36Å; Q595-L597 WeakPolarHBondContact CG-O 3.39Å; Q595-L597 PolarHBondContact NE2-O 2.78Å; Q595-I598 HydrophobicContact CG-CG1 3.96Å
596	L	83.6	Confident	79.4	Confident	12 Å²	12	64.4 Å²	64.4	6%	0.063	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-37	-174.8	-66.3	179.2	0	0	0	112.1	Y529 V537 K539 L641 L654 Q656	Y529-L596 HydrophobicContact CD1-CD1 3.76Å; Y529-L596 HydrophobicContact CE1-CD1 3.86Å; V537-L596 HydrophobicContact CG1-CB 4.37Å; V537-L596 HydrophobicContact CG1-CD1 4.33Å; V537-L596 PolarHBondContact O-N 3.01Å; K539-L596 HydrophobicContact CB-CD1 4.15Å; K539-L596 HydrophobicContact CB-CD2 4.32Å; K539-L596 HydrophobicContact CB-CG 4.07Å; L596-L641 HydrophobicContact CD1-CD2 3.96Å; L596-L654 HydrophobicContact CD1-CD2 4.27Å; L596-Q656 HydrophobicContact CD2-CG 4.49Å
597	L	81.5	Confident	79.5	Confident	31 Å²	31	62.5 Å²	62.5	16%	0.162	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.2	178.4	-174.8	62.9	0	0	0	109.5	V537 Q595 I607 I643 I650 I652	V537-L597 HydrophobicContact CB-CB 4.08Å; V537-L597 HydrophobicContact CG2-CB 4.22Å; V537-L597 HydrophobicContact CG2-CD2 4.45Å; V537-L597 PolarHBondContact N-O 3.05Å; V537-L597 PolarHBondContact O-N 2.98Å; Q595-L597 WeakPolarHBondContact CG-O 3.39Å; Q595-L597 PolarHBondContact NE2-O 2.78Å; L597-I607 HydrophobicContact CD2-CD1 4.42Å; L597-I643 HydrophobicContact CB-CD1 4.38Å; L597-I643 HydrophobicContact CD2-CD1 4.13Å; L597-I643 HydrophobicContact CD2-CG2 4.39Å; L597-I650 HydrophobicContact CD2-CD1 4.06Å; L597-I652 HydrophobicContact CB-CD1 3.99Å; L597-I652 HydrophobicContact CD1-CD1 4.16Å
598	I	76.8	Confident	79.7	Confident	106 Å²	106	61.2 Å²	61.2	54%	0.544	32%	0.321	S	S	.	.			trans	-111	122.3	173.1	-55.9	172.9	0	0	0	106.5	Q595 K600	Q595-I598 HydrophobicContact CG-CG1 3.96Å; I598-K600 PolarHBondContact O-N 3.26Å; I598-K600 VanDerWaalsContact O-N 3.07Å
599	S	72.2	Confident	80	Confident	34 Å²	34	61.9 Å²	61.9	24%	0.238	31%	0.314	C	S	.	.			trans	-65.6	110.1	174.1	-169.6	0	0	0	0	109.9	N534 D536 N601	N534-S599 WeakPolarHBondContact O-CB 3.43Å; N534-S599 PolarHBondContact O-OG 3.1Å; D536-S599 PolarHBondContact OD1-N 2.75Å; S599-N601 PolarHBondContact OG-O 2.88Å; S599-N601 VanDerWaalsContact OG-O 3.12Å
600	K	66.5	Low	80.2	Confident	196 Å²	196	60.9 Å²	60.9	85%	0.852	31%	0.309	S	S	*	.			trans	-80.4	-21.7	-179.4	-68.7	-177.7	-178.2	174.5	0	113.1	I598	I598-K600 PolarHBondContact O-N 3.26Å; I598-K600 VanDerWaalsContact O-N 3.07Å
601	N	57.3	Low	80.4	Confident	103 Å²	103	61.3 Å²	61.3	55%	0.551	31%	0.311	S	S	*	.	S	Bend	trans	-123	138.4	-177.2	-77.4	-18.7	0	0	0	110.1	S599 N603	S599-N601 PolarHBondContact OG-O 2.88Å; S599-N601 VanDerWaalsContact OG-O 3.12Å; N601-N603 HydrophobicContact CB-CB 4.36Å; N601-N603 PolarHBondContact O-N 2.89Å
602	H	49.4	Very low	80.6	Confident	201 Å²	201	59.4 Å²	59.4	93%	0.931	30%	0.302	S	S	*	.	S	Bend	trans	-66.4	1.8	169.1	-69.7	-63.6	0	0	0	113.9
603	N	53.7	Low	80.6	Confident	118 Å²	118	58.1 Å²	58.1	63%	0.631	30%	0.296	S	S	*	.	S	Bend	trans	-71	136	170.7	-66.5	-3.1	0	0	0	108	N601 N605	N601-N603 HydrophobicContact CB-CB 4.36Å; N601-N603 PolarHBondContact O-N 2.89Å; N603-N605 VanDerWaalsContact C-N 3.26Å; N603-N605 PolarHBondContact O-N 3Å; N603-N605 PolarHBondContact O-OD1 3.12Å
604	N	63.1	Low	80.8	Confident	139 Å²	139	57.8 Å²	57.8	74%	0.743	29%	0.294	S	S	*	.			trans	-54.4	73.1	-170.9	-73.5	-11.4	0	0	0	114.6	K606	N604-K606 PolarHBondContact O-N 3.03Å
605	N	79.7	Confident	80.9	Confident	53 Å²	53	60 Å²	60	28%	0.283	30%	0.301	S	S	.	.			trans	-83.1	45.2	171.3	-71.4	7.8	0	0	0	110	G535 N603 I607 T645	G535-N605 WeakPolarHBondContact CA-O 3.44Å; G535-N605 PolarHBondContact N-O 3.03Å; N603-N605 VanDerWaalsContact C-N 3.26Å; N603-N605 PolarHBondContact O-N 3Å; N603-N605 PolarHBondContact O-OD1 3.12Å; N605-I607 PolarHBondContact O-N 2.94Å; N605-T645 HydrophobicContact CB-CG2 4.5Å
606	K	87.2	Confident	81.1	Confident	31 Å²	31	58.2 Å²	58.2	14%	0.135	29%	0.293	C	S	.	.			trans	-57.6	124.8	179.8	167.1	178.6	171.7	-152.7	0	109.1	H91 N533 N604 T608 T645	H91-K606 PolarHBondContact CD2-NZ 3.02Å; H91-K606 VanDerWaalsContact CE1-CE 3.43Å; H91-K606 WeakPolarHBondContact CE1-CE 2.98Å; H91-K606 PolarHBondContact CE1-NZ 2.96Å; H91-K606 PolarHBondContact ND1-NZ 3.33Å; H91-K606 WeakPolarHBondContact NE2-CE 3.04Å; H91-K606 PolarHBondContact NE2-NZ 3Å; N533-K606 HydrophobicContact CB-CD 4.44Å; N533-K606 HydrophobicContact CB-CG 4.12Å; N533-K606 WeakPolarHBondContact O-CA 3.28Å; N533-K606 WeakPolarHBondContact O-CB 3.43Å; N604-K606 PolarHBondContact O-N 3.03Å; K606-T608 PolarHBondContact O-N 3.14Å; K606-T645 VanDerWaalsContact O-CA 3.22Å; K606-T645 WeakPolarHBondContact O-CA 3.46Å
607	I	91.3	Very high	81.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.32	C	S	.	.			trans	-68.7	127	172.8	-54.2	-47	0	0	0	108.1	T498 T532 V537 L597 N605 L610 I643 F644 T645	T498-I607 WeakPolarHBondContact CB-O 3.1Å; T498-I607 PolarHBondContact OG1-O 2.6Å; T532-I607 WeakPolarHBondContact O-CB 3.41Å; T532-I607 WeakPolarHBondContact O-CG1 3.34Å; T532-I607 PolarHBondContact O-N 2.79Å; T532-I607 VanDerWaalsContact O-N 3.12Å; V537-I607 HydrophobicContact CG2-CD1 4.06Å; V537-I607 HydrophobicContact CG2-CG1 3.89Å; L597-I607 HydrophobicContact CD2-CD1 4.42Å; N605-I607 PolarHBondContact O-N 2.94Å; I607-L610 HydrophobicContact CG2-CD2 3.86Å; I607-L610 HydrophobicContact CG2-CG 4.18Å; I607-I643 HydrophobicContact CD1-CG2 3.49Å; I607-I643 VanDerWaalsContact CD1-CG2 3.49Å; I607-I643 HydrophobicContact CG1-CG2 4.42Å; I607-I643 HydrophobicContact CG2-CG2 4.25Å; I607-F644 CarbonylContact C-O 3.59Å; I607-F644 WeakPolarHBondContact CA-O 3.43Å; I607-T645 HydrophobicContact CD1-CG2 4.17Å
608	T	90.4	Very high	81.7	Confident	36 Å²	36	70 Å²	70	22%	0.221	35%	0.345	C	S	.	.			trans	-101.6	-36.6	179.1	56.5	0	0	0	0	111.5	K606 F644 T645 D646	K606-T608 PolarHBondContact O-N 3.14Å; T608-F644 PolarHBondContact N-O 3.42Å; T608-F644 WeakPolarHBondContact OG1-CB 3.31Å; T608-F644 PolarHBondContact OG1-O 2.95Å; T608-T645 WeakPolarHBondContact CG2-O 3.5Å; T608-T645 PolarHBondContact OG1-O 3.18Å; T608-D646 WeakPolarHBondContact CG2-OD1 3.47Å
609	N	93.3	Very high	82.2	Confident	58 Å²	58	70.6 Å²	70.6	31%	0.31	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	167.7	177.6	-144.2	-31.3	0	0	0	111.7	L43 F644	L43-N609 HydrophobicContact CD2-CB 3.77Å; L43-N609 WeakPolarHBondContact CD2-ND2 3.5Å; N609-F644 HydrophobicContact CB-CB 4.31Å; N609-F644 HydrophobicContact CB-CD2 4.2Å; N609-F644 HydrophobicContact CB-CG 4.48Å; N609-F644 PolarHBondContact O-N 2.87Å
610	L	95.3	Very high	82.9	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.3	178.1	-62.5	176.2	0	0	0	109	I501 V537 I607 L641 L642 I643	I501-L610 HydrophobicContact CD1-CB 3.88Å; I501-L610 HydrophobicContact CG1-CB 4.05Å; I501-L610 HydrophobicContact CG1-CD1 4.34Å; I501-L610 HydrophobicContact CG2-CB 4.15Å; I501-L610 WeakPolarHBondContact CG2-O 3.31Å; V537-L610 HydrophobicContact CG1-CD2 4.47Å; V537-L610 HydrophobicContact CG2-CD2 4.29Å; I607-L610 HydrophobicContact CG2-CD2 3.86Å; I607-L610 HydrophobicContact CG2-CG 4.18Å; L610-L641 HydrophobicContact CB-CD1 4.28Å; L610-L641 HydrophobicContact CD2-CD2 4.17Å; L610-L641 HydrophobicContact CD2-CG 4.39Å; L610-L642 WeakPolarHBondContact CA-O 3.4Å; L610-I643 HydrophobicContact CD2-CB 4.1Å; L610-I643 HydrophobicContact CD2-CG1 3.75Å; L610-I643 HydrophobicContact CD2-CG2 3.98Å
611	L	95.3	Very high	83.9	Confident	19 Å²	19	71.6 Å²	71.6	10%	0.099	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.2	173.1	-63.8	178.5	0	0	0	110.4	L43 N46 I624 L642 F644	L43-L611 HydrophobicContact CD2-CD1 4.11Å; L43-L611 HydrophobicContact CD2-CG 4.38Å; N46-L611 HydrophobicContact CB-CD1 3.93Å; L611-I624 HydrophobicContact CB-CG2 4.31Å; L611-I624 HydrophobicContact CD1-CD1 4.09Å; L611-I624 HydrophobicContact CD1-CG2 4.48Å; L611-I624 HydrophobicContact CD2-CG2 4.46Å; L611-L642 HydrophobicContact CB-CB 4.37Å; L611-L642 PolarHBondContact N-O 2.03Å; L611-L642 PolarHBondContact O-N 2.9Å; L611-F644 HydrophobicContact CB-CE2 4.06Å; L611-F644 HydrophobicContact CD1-CE2 3.62Å; L611-F644 HydrophobicContact CD1-CZ 3.68Å; L611-F644 HydrophobicContact CG-CE2 3.66Å; L611-F644 HydrophobicContact CG-CZ 4.26Å
612	L	94.9	Very high	85.5	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.1	176.8	-172.1	137.3	0	0	0	110.6	P504 Y529 I624 R625 F639 L654	P504-L612 HydrophobicContact CG-CD2 4.13Å; Y529-L612 HydrophobicContact CE2-CD1 4.36Å; L612-I624 WeakPolarHBondContact O-CA 3.26Å; L612-R625 HydrophobicContact CD2-CB 3.95Å; L612-R625 PolarHBondContact O-N 3.49Å; L612-F639 HydrophobicContact CD2-CD1 3.89Å; L612-F639 HydrophobicContact CD2-CE1 4.47Å; L612-L654 HydrophobicContact CD1-CD1 3.69Å; L612-L654 HydrophobicContact CG-CD1 4.37Å
613	L	93.5	Very high	87.6	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.2	-179.2	-165.6	65.7	0	0	0	109.8	I64 F69 I622 I624 F639 S640	I64-L613 HydrophobicContact CD1-CD1 3.88Å; I64-L613 HydrophobicContact CG2-CD1 4.11Å; F69-L613 HydrophobicContact CZ-CD2 4.45Å; L613-I622 HydrophobicContact CD1-CD1 4.03Å; L613-I622 HydrophobicContact CD1-CG1 3.71Å; L613-I622 HydrophobicContact CD2-CD1 3.51Å; L613-I622 HydrophobicContact CD2-CG1 4.1Å; L613-I622 HydrophobicContact CG-CD1 3.72Å; L613-I622 HydrophobicContact CG-CG1 3.71Å; L613-I624 HydrophobicContact CD1-CG1 4.18Å; L613-F639 WeakPolarHBondContact O-CA 3.28Å; L613-S640 WeakPolarHBondContact CB-O 3.26Å; L613-S640 PolarHBondContact N-O 2.89Å; L613-S640 PolarHBondContact O-N 3.3Å
614	H	94	Very high	89.5	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.5	177.6	172.2	-163	0	0	0	109.1	I622 Q623 R625 F631 D637 F639	H614-I622 CarbonylContact O-C 3.59Å; H614-I622 WeakPolarHBondContact O-CA 3.39Å; H614-Q623 PolarHBondContact N-O 3.05Å; H614-Q623 PolarHBondContact O-N 3.4Å; H614-R625 HydrophobicContact CB-CG 3.45Å; H614-R625 VanDerWaalsContact CB-CG 3.45Å; H614-R625 PolarHBondContact ND1-NE 3.03Å; H614-F631 AromaticContact CE1-CD2 3.95Å; H614-F631 AromaticContact CE1-CE2 3.97Å; H614-F631 AromaticContact ND1-CD2 3.76Å; H614-F631 AromaticContact ND1-CE2 3.62Å; H614-D637 IonicContact CE1-OD2 2.67Å; H614-D637 IonicContact NE2-OD2 2.75Å; H614-D637 PolarHBondContact NE2-OD2 3.22Å; H614-D637 VanDerWaalsContact NE2-OD2 3.12Å; H614-F639 HydrophobicContact CB-CD1 3.81Å; H614-F639 HydrophobicContact CB-CE1 3.55Å; H614-F639 AromaticContact CD2-CE1 3.41Å; H614-F639 VanDerWaalsContact CD2-CE1 3.41Å; H614-F639 WeakPolarHBondContact CD2-CE1 3.42Å; H614-F639 AromaticContact CD2-CZ 3.54Å; H614-F639 AromaticContact CG-CE1 3.35Å; H614-F639 AromaticContact CG-CZ 3.91Å; H614-F639 AromaticContact ND1-CE1 3.96Å; H614-F639 AromaticContact NE2-CZ 3.84Å
615	K	92.5	Very high	90.9	Very high	67 Å²	67	50 Å²	50	29%	0.291	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	108.5	170.9	179.3	172.3	172.3	138.7	0	109.2	D66 T621 I622 D637 I638	D66-K615 PolarHBondContact O-NZ 3.14Å; D66-K615 WeakPolarHBondContact OD1-CD 3.25Å; D66-K615 WeakPolarHBondContact OD1-CE 3.36Å; D66-K615 IonicContact OD1-NZ 3.15Å; D66-K615 PolarHBondContact OD1-NZ 3.37Å; D66-K615 IonicContact OD2-NZ 2.74Å; K615-T621 CarbonylContact C-O 3.42Å; K615-I622 HydrophobicContact CB-CD1 4.27Å; K615-I622 HydrophobicContact CB-CG1 4.17Å; K615-D637 WeakPolarHBondContact O-CA 3.47Å; K615-I638 HydrophobicContact CB-CB 4.35Å; K615-I638 PolarHBondContact N-O 3.48Å; K615-I638 PolarHBondContact O-N 3.3Å
616	S	91.9	Very high	91.3	Very high	7 Å²	7	50 Å²	50	5%	0.049	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.6	178.9	-179.6	0	0	0	0	110.6	N619 R620 T621 D637	S616-N619 PolarHBondContact OG-N 2.85Å; S616-R620 VanDerWaalsContact O-CA 3.3Å; S616-R620 WeakPolarHBondContact O-CA 3.33Å; S616-R620 PolarHBondContact O-N 3.36Å; S616-T621 PolarHBondContact N-O 2.84Å; S616-T621 PolarHBondContact O-N 2.89Å; S616-D637 WeakPolarHBondContact CA-OD1 3.05Å
617	Y	89	Confident	91.2	Very high	161 Å²	161	49.2 Å²	49.2	63%	0.631	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-46.9	179.4	-178.8	-96.7	0	0	0	111.8	M636 D637	Y617-M636 HydrophobicContact CD1-CB 4.14Å; Y617-M636 HydrophobicContact CG-CB 3.99Å; Y617-D637 PolarHBondContact N-OD1 3.08Å
618	L	88.1	Confident	90.8	Very high	130 Å²	130	51.3 Å²	51.3	68%	0.681	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-46.5	-176.9	-69.9	174.8	0	0	0	111.9	R620	L618-R620 VanDerWaalsContact C-N 3.33Å
619	N	87.3	Confident	90.4	Very high	119 Å²	119	53.4 Å²	53.4	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11	-176.1	-65	-24	0	0	0	112.6	S616 T621	S616-N619 PolarHBondContact OG-N 2.85Å; N619-T621 HydrophobicContact CB-CG2 4.19Å; N619-T621 WeakPolarHBondContact CB-OG1 3.25Å; N619-T621 WeakPolarHBondContact O-CG2 3.18Å; N619-T621 PolarHBondContact O-N 3.46Å
620	R	86.4	Confident	89.7	Confident	200 Å²	200	57 Å²	57	76%	0.755	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.5	-170.6	-59.4	-175.7	175	-172.5	-2.3	112.3	S616 L618	S616-R620 VanDerWaalsContact O-CA 3.3Å; S616-R620 WeakPolarHBondContact O-CA 3.33Å; S616-R620 PolarHBondContact O-N 3.36Å; L618-R620 VanDerWaalsContact C-N 3.33Å
621	T	89.1	Confident	89.2	Confident	51 Å²	51	58 Å²	58	31%	0.313	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.7	179.7	53.2	0	0	0	0	109.7	K615 S616 N619	K615-T621 CarbonylContact C-O 3.42Å; S616-T621 PolarHBondContact N-O 2.84Å; S616-T621 PolarHBondContact O-N 2.89Å; N619-T621 HydrophobicContact CB-CG2 4.19Å; N619-T621 WeakPolarHBondContact CB-OG1 3.25Å; N619-T621 WeakPolarHBondContact O-CG2 3.18Å; N619-T621 PolarHBondContact O-N 3.46Å
622	I	90.5	Very high	88.7	Confident	10 Å²	10	64.3 Å²	64.3	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.7	172.8	-166.4	167.8	0	0	0	108.8	I64 S65 L613 H614 K615	I64-I622 HydrophobicContact CB-CG2 4.28Å; I64-I622 HydrophobicContact CG2-CB 4.37Å; I64-I622 HydrophobicContact CG2-CD1 3.92Å; I64-I622 HydrophobicContact CG2-CG1 4.04Å; I64-I622 HydrophobicContact CG2-CG2 3.48Å; I64-I622 VanDerWaalsContact CG2-CG2 3.48Å; S65-I622 VanDerWaalsContact C-CG2 3.47Å; S65-I622 WeakPolarHBondContact O-CG2 3.15Å; L613-I622 HydrophobicContact CD1-CD1 4.03Å; L613-I622 HydrophobicContact CD1-CG1 3.71Å; L613-I622 HydrophobicContact CD2-CD1 3.51Å; L613-I622 HydrophobicContact CD2-CG1 4.1Å; L613-I622 HydrophobicContact CG-CD1 3.72Å; L613-I622 HydrophobicContact CG-CG1 3.71Å; H614-I622 CarbonylContact O-C 3.59Å; H614-I622 WeakPolarHBondContact O-CA 3.39Å; K615-I622 HydrophobicContact CB-CD1 4.27Å; K615-I622 HydrophobicContact CB-CG1 4.17Å
623	Q	92.7	Very high	88.4	Confident	47 Å²	47	68.3 Å²	68.3	22%	0.22	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.5	-176.1	-64.3	-178.5	-9.4	0	0	110.7	K48 I49 H614 R625	K48-Q623 CarbonylContact O-C 3.6Å; K48-Q623 WeakPolarHBondContact O-CA 3.31Å; I49-Q623 HydrophobicContact CG2-CG 4.18Å; H614-Q623 PolarHBondContact N-O 3.05Å; H614-Q623 PolarHBondContact O-N 3.4Å; Q623-R625 VanDerWaalsContact OE1-CZ 3.31Å
624	I	93.6	Very high	88.1	Confident	10 Å²	10	69.9 Å²	69.9	5%	0.051	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.3	164.6	-63.8	161.2	0	0	0	107.7	N46 E47 K48 I51 I64 L611 L612 L613	N46-I624 HydrophobicContact CB-CD1 4.31Å; E47-I624 WeakPolarHBondContact O-CB 3.16Å; E47-I624 VanDerWaalsContact O-CD1 3.28Å; E47-I624 WeakPolarHBondContact O-CD1 3.21Å; K48-I624 PolarHBondContact O-N 3.3Å; I51-I624 HydrophobicContact CD1-CD1 4.07Å; I51-I624 HydrophobicContact CG1-CD1 3.61Å; I64-I624 HydrophobicContact CD1-CD1 3.57Å; I64-I624 HydrophobicContact CD1-CG1 3.67Å; L611-I624 HydrophobicContact CB-CG2 4.31Å; L611-I624 HydrophobicContact CD1-CD1 4.09Å; L611-I624 HydrophobicContact CD1-CG2 4.48Å; L611-I624 HydrophobicContact CD2-CG2 4.46Å; L612-I624 WeakPolarHBondContact O-CA 3.26Å; L613-I624 HydrophobicContact CD1-CG1 4.18Å
625	R	92.9	Very high	87.6	Confident	41 Å²	41	75.2 Å²	75.2	16%	0.155	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.8	178	-64.3	-64.3	-179.7	164.9	0.6	110.3	P504 L612 H614 Q623 F631	P504-R625 HydrophobicContact CG-CB 4.34Å; L612-R625 HydrophobicContact CD2-CB 3.95Å; L612-R625 PolarHBondContact O-N 3.49Å; H614-R625 HydrophobicContact CB-CG 3.45Å; H614-R625 VanDerWaalsContact CB-CG 3.45Å; H614-R625 PolarHBondContact ND1-NE 3.03Å; Q623-R625 VanDerWaalsContact OE1-CZ 3.31Å; R625-F631 HydrophobicContact CB-CD1 4.42Å; R625-F631 HydrophobicContact CB-CE1 3.78Å; R625-F631 HydrophobicContact CB-CZ 4.16Å; R625-F631 HydrophobicContact CG-CD1 4.25Å; R625-F631 HydrophobicContact CG-CE1 3.85Å; R625-F631 HydrophobicContact CG-CE2 4.38Å; R625-F631 HydrophobicContact CG-CZ 3.95Å
626	S	87.3	Confident	87.3	Confident	52 Å²	52	78 Å²	78	36%	0.364	38%	0.384	S	S	.	.			trans	-87.7	142.5	167.5	-177.8	0	0	0	0	109.8	N628 E629	S626-N628 PolarHBondContact O-N 3.28Å; S626-N628 VanDerWaalsContact O-N 3.15Å; S626-N628 WeakPolarHBondContact OG-CB 3.39Å; S626-N628 PolarHBondContact OG-N 3.23Å; S626-E629 PolarHBondContact O-N 3.4Å
627	S	85.1	Confident	87.3	Confident	15 Å²	15	78.3 Å²	78.3	11%	0.105	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.2	169.6	46.8	0	0	0	0	113.4	T337 S338 Y339	T337-S627 VanDerWaalsContact O-CB 3.25Å; T337-S627 WeakPolarHBondContact O-CB 3.33Å; T337-S627 PolarHBondContact O-OG 3.44Å; S338-S627 WeakPolarHBondContact CA-O 3.37Å; Y339-S627 PolarHBondContact N-O 3.29Å; Y339-S627 VanDerWaalsContact N-O 3.1Å
628	N	83.6	Confident	87.4	Confident	44 Å²	44	74.1 Å²	74.1	24%	0.235	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	6.2	176.1	-58.5	-9.6	0	0	0	113.3	T337 Y339 S626	T337-N628 VanDerWaalsContact C-OD1 3.24Å; T337-N628 VanDerWaalsContact CB-OD1 3.32Å; T337-N628 WeakPolarHBondContact CB-OD1 3.42Å; T337-N628 PolarHBondContact O-OD1 3.11Å; T337-N628 VanDerWaalsContact O-OD1 3.05Å; T337-N628 PolarHBondContact OG1-ND2 3.03Å; T337-N628 PolarHBondContact OG1-OD1 2.99Å; Y339-N628 VanDerWaalsContact CD2-C 3.5Å; Y339-N628 WeakPolarHBondContact CD2-O 3.37Å; Y339-N628 HydrophobicContact CE2-CB 4.49Å; Y339-N628 WeakPolarHBondContact CE2-O 3.32Å; S626-N628 PolarHBondContact O-N 3.28Å; S626-N628 VanDerWaalsContact O-N 3.15Å; S626-N628 WeakPolarHBondContact OG-CB 3.39Å; S626-N628 PolarHBondContact OG-N 3.23Å
629	E	81.4	Confident	87.6	Confident	80 Å²	80	68.4 Å²	68.4	37%	0.374	34%	0.343	S	S	.	.	S	Bend	trans	-124.6	130.7	175	-66	-174.5	-174.1	0	0	109.3	K48 S626	K48-E629 WeakPolarHBondContact CE-OE2 3.26Å; K48-E629 IonicContact NZ-OE1 3.41Å; K48-E629 IonicContact NZ-OE2 2.79Å; K48-E629 PolarHBondContact NZ-OE2 2.65Å; K48-E629 VanDerWaalsContact NZ-OE2 3.15Å; S626-E629 PolarHBondContact O-N 3.4Å
630	E	80.1	Confident	87.9	Confident	132 Å²	132	63.1 Å²	63.1	62%	0.617	32%	0.315	S	S	*	.			trans	-72.5	136.3	167.1	-170.6	175.1	-169.2	0	0	108.9
631	F	84.4	Confident	88.3	Confident	24 Å²	24	53.6 Å²	53.6	11%	0.105	28%	0.279	C	S	.	.			trans	-148	148.9	173.2	66.3	-90.1	0	0	0	110.9	P504 R505 H614 R625 Y633 F639	P504-F631 HydrophobicContact CB-CD1 4.42Å; P504-F631 HydrophobicContact CB-CE1 3.42Å; P504-F631 VanDerWaalsContact CB-CE1 3.42Å; P504-F631 HydrophobicContact CB-CZ 3.99Å; P504-F631 HydrophobicContact CG-CE1 3.57Å; P504-F631 HydrophobicContact CG-CZ 3.88Å; R505-F631 HydrophobicContact CG-CZ 4.23Å; H614-F631 AromaticContact CE1-CD2 3.95Å; H614-F631 AromaticContact CE1-CE2 3.97Å; H614-F631 AromaticContact ND1-CD2 3.76Å; H614-F631 AromaticContact ND1-CE2 3.62Å; R625-F631 HydrophobicContact CB-CD1 4.42Å; R625-F631 HydrophobicContact CB-CE1 3.78Å; R625-F631 HydrophobicContact CB-CZ 4.16Å; R625-F631 HydrophobicContact CG-CD1 4.25Å; R625-F631 HydrophobicContact CG-CE1 3.85Å; R625-F631 HydrophobicContact CG-CE2 4.38Å; R625-F631 HydrophobicContact CG-CZ 3.95Å; F631-Y633 HydrophobicContact CD2-CD1 4.21Å; F631-Y633 AromaticContact CE2-CD1 3.8Å; F631-Y633 HydrophobicContact CE2-CD1 3.8Å; F631-Y633 HydrophobicContact CE2-CG 4.21Å; F631-F639 AromaticContact CE2-CE1 3.9Å; F631-F639 HydrophobicContact CE2-CE1 3.9Å; F631-F639 HydrophobicContact CE2-CZ 4.1Å; F631-F639 HydrophobicContact CZ-CE1 4.08Å
632	N	85.4	Confident	88.5	Confident	150 Å²	150	51.3 Å²	51.3	80%	0.802	27%	0.265	S	S	*	.			trans	-86.8	144.7	171.4	-64.6	-22.3	0	0	0	109.5
633	Y	88.6	Confident	88.6	Confident	89 Å²	89	50.8 Å²	50.8	35%	0.349	26%	0.262	S	S	.	.			trans	-144	152.3	175.3	66	-86.6	0	0	0	110	R505 F631 D637 F639	R505-Y633 HydrophobicContact CB-CE1 4.05Å; R505-Y633 HydrophobicContact CG-CD1 4.48Å; R505-Y633 HydrophobicContact CG-CE1 4.09Å; F631-Y633 HydrophobicContact CD2-CD1 4.21Å; F631-Y633 AromaticContact CE2-CD1 3.8Å; F631-Y633 HydrophobicContact CE2-CD1 3.8Å; F631-Y633 HydrophobicContact CE2-CG 4.21Å; Y633-D637 WeakPolarHBondContact CA-OD2 3.34Å; Y633-F639 HydrophobicContact CD1-CZ 4.44Å; Y633-F639 AromaticContact CD2-CE2 3.81Å; Y633-F639 HydrophobicContact CD2-CE2 3.81Å; Y633-F639 AromaticContact CD2-CZ 3.83Å; Y633-F639 HydrophobicContact CD2-CZ 3.83Å; Y633-F639 HydrophobicContact CE2-CE2 4.38Å; Y633-F639 HydrophobicContact CG-CE2 4.23Å; Y633-F639 AromaticContact CG-CZ 3.76Å; Y633-F639 HydrophobicContact CG-CZ 3.76Å
634	S	86.9	Confident	88.6	Confident	35 Å²	35	48.6 Å²	48.6	25%	0.245	25%	0.252	C	S	.	.			trans	-88.5	158.2	175.5	-178.7	0	0	0	0	110.9	M636 D637	S634-M636 PolarHBondContact O-N 2.81Å; S634-M636 PolarHBondContact OG-N 3.1Å; S634-D637 PolarHBondContact N-OD2 2.96Å; S634-D637 WeakPolarHBondContact O-CB 3.05Å; S634-D637 PolarHBondContact O-N 2.79Å; S634-D637 VanDerWaalsContact O-N 3.13Å
635	T	83.2	Confident	88.5	Confident	116 Å²	116	48.1 Å²	48.1	71%	0.712	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.8	169.7	52.9	0	0	0	0	112.7
636	M	86.6	Confident	88.2	Confident	124 Å²	124	48.3 Å²	48.3	61%	0.611	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.3	176.8	-59.1	-61.6	176.9	0	0	113.5	Y617 S634	Y617-M636 HydrophobicContact CD1-CB 4.14Å; Y617-M636 HydrophobicContact CG-CB 3.99Å; S634-M636 PolarHBondContact O-N 2.81Å; S634-M636 PolarHBondContact OG-N 3.1Å
637	D	91.3	Very high	88.2	Confident	15 Å²	15	48.2 Å²	48.2	8%	0.08	25%	0.249	C	C	.	.			trans	-75	142.1	-178.7	-66.6	-15.1	0	0	0	110.7	H614 K615 S616 Y617 Y633 S634 F639	H614-D637 IonicContact CE1-OD2 2.67Å; H614-D637 IonicContact NE2-OD2 2.75Å; H614-D637 PolarHBondContact NE2-OD2 3.22Å; H614-D637 VanDerWaalsContact NE2-OD2 3.12Å; K615-D637 WeakPolarHBondContact O-CA 3.47Å; S616-D637 WeakPolarHBondContact CA-OD1 3.05Å; Y617-D637 PolarHBondContact N-OD1 3.08Å; Y633-D637 WeakPolarHBondContact CA-OD2 3.34Å; S634-D637 PolarHBondContact N-OD2 2.96Å; S634-D637 WeakPolarHBondContact O-CB 3.05Å; S634-D637 PolarHBondContact O-N 2.79Å; S634-D637 VanDerWaalsContact O-N 3.13Å; D637-F639 HydrophobicContact CB-CE2 4.02Å; D637-F639 HydrophobicContact CB-CZ 4.33Å
638	I	90.8	Very high	88.3	Confident	73 Å²	73	48.3 Å²	48.3	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.6	-176.3	-59.8	172.2	0	0	0	109.2	K615 Q653	K615-I638 HydrophobicContact CB-CB 4.35Å; K615-I638 PolarHBondContact N-O 3.48Å; K615-I638 PolarHBondContact O-N 3.3Å; I638-Q653 HydrophobicContact CG2-CG 4.38Å
639	F	93.7	Very high	88.6	Confident	9 Å²	9	46.4 Å²	46.4	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.6	176.9	-62.1	-88.9	0	0	0	111.4	R505 L612 L613 H614 F631 Y633 D637 L654	R505-F639 VanDerWaalsContact CD-CD2 3.42Å; R505-F639 VanDerWaalsContact CD-CG 3.49Å; R505-F639 VanDerWaalsContact CD-CZ 3.44Å; R505-F639 HydrophobicContact CG-CD1 4.36Å; R505-F639 HydrophobicContact CG-CE1 3.97Å; R505-F639 HydrophobicContact CG-CE2 4.37Å; R505-F639 HydrophobicContact CG-CZ 3.98Å; L612-F639 HydrophobicContact CD2-CD1 3.89Å; L612-F639 HydrophobicContact CD2-CE1 4.47Å; L613-F639 WeakPolarHBondContact O-CA 3.28Å; H614-F639 HydrophobicContact CB-CD1 3.81Å; H614-F639 HydrophobicContact CB-CE1 3.55Å; H614-F639 AromaticContact CD2-CE1 3.41Å; H614-F639 VanDerWaalsContact CD2-CE1 3.41Å; H614-F639 WeakPolarHBondContact CD2-CE1 3.42Å; H614-F639 AromaticContact CD2-CZ 3.54Å; H614-F639 AromaticContact CG-CE1 3.35Å; H614-F639 AromaticContact CG-CZ 3.91Å; H614-F639 AromaticContact ND1-CE1 3.96Å; H614-F639 AromaticContact NE2-CZ 3.84Å; F631-F639 AromaticContact CE2-CE1 3.9Å; F631-F639 HydrophobicContact CE2-CE1 3.9Å; F631-F639 HydrophobicContact CE2-CZ 4.1Å; F631-F639 HydrophobicContact CZ-CE1 4.08Å; Y633-F639 HydrophobicContact CD1-CZ 4.44Å; Y633-F639 AromaticContact CD2-CE2 3.81Å; Y633-F639 HydrophobicContact CD2-CE2 3.81Å; Y633-F639 AromaticContact CD2-CZ 3.83Å; Y633-F639 HydrophobicContact CD2-CZ 3.83Å; Y633-F639 HydrophobicContact CE2-CE2 4.38Å; Y633-F639 HydrophobicContact CG-CE2 4.23Å; Y633-F639 AromaticContact CG-CZ 3.76Å; Y633-F639 HydrophobicContact CG-CZ 3.76Å; D637-F639 HydrophobicContact CB-CE2 4.02Å; D637-F639 HydrophobicContact CB-CZ 4.33Å; F639-L654 HydrophobicContact CB-CD1 3.77Å; F639-L654 HydrophobicContact CB-CG 4.45Å; F639-L654 PolarHBondContact O-N 3.44Å
640	S	93.1	Very high	89	Confident	8 Å²	8	43.1 Å²	43.1	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.2	177	-58.6	0	0	0	0	110.6	L613 Q651 I652	L613-S640 WeakPolarHBondContact CB-O 3.26Å; L613-S640 PolarHBondContact N-O 2.89Å; L613-S640 PolarHBondContact O-N 3.3Å; S640-Q651 PolarHBondContact OG-NE2 2.87Å; S640-I652 CarbonylContact C-O 3.53Å; S640-I652 VanDerWaalsContact CA-O 3.24Å; S640-I652 WeakPolarHBondContact CA-O 3.46Å
641	L	94.1	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125	166.5	-167.8	64.8	0	0	0	108.8	I501 Y529 V537 L596 L610 I643 Q651 I652 L654	I501-L641 HydrophobicContact CD1-CD1 3.53Å; Y529-L641 HydrophobicContact CD1-CD2 4.33Å; Y529-L641 HydrophobicContact CD2-CD1 4.44Å; Y529-L641 HydrophobicContact CG-CD1 4.49Å; Y529-L641 HydrophobicContact CG-CD2 4.38Å; V537-L641 HydrophobicContact CG1-CD2 3.69Å; L596-L641 HydrophobicContact CD1-CD2 3.96Å; L610-L641 HydrophobicContact CB-CD1 4.28Å; L610-L641 HydrophobicContact CD2-CD2 4.17Å; L610-L641 HydrophobicContact CD2-CG 4.39Å; L641-I643 HydrophobicContact CD2-CD1 4.23Å; L641-I643 HydrophobicContact CD2-CG1 3.93Å; L641-I643 HydrophobicContact CG-CG1 3.93Å; L641-Q651 WeakPolarHBondContact O-CA 3.29Å; L641-I652 PolarHBondContact N-O 3.01Å; L641-I652 PolarHBondContact O-N 3.49Å; L641-L654 HydrophobicContact CB-CD2 3.77Å
642	L	93.2	Very high	89.7	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.1	168.4	-172.5	65.4	0	0	0	108.3	I51 F69 L610 L611 F644 M649 I650 Q651	I51-L642 HydrophobicContact CD1-CD2 3.45Å; I51-L642 VanDerWaalsContact CD1-CD2 3.45Å; F69-L642 HydrophobicContact CZ-CD1 4.47Å; L610-L642 WeakPolarHBondContact CA-O 3.4Å; L611-L642 HydrophobicContact CB-CB 4.37Å; L611-L642 PolarHBondContact N-O 2.03Å; L611-L642 PolarHBondContact O-N 2.9Å; L642-F644 HydrophobicContact CB-CE2 4.25Å; L642-F644 HydrophobicContact CD2-CE1 4.26Å; L642-F644 HydrophobicContact CD2-CE2 3.79Å; L642-F644 HydrophobicContact CD2-CZ 3.39Å; L642-F644 HydrophobicContact CG-CE2 3.73Å; L642-F644 HydrophobicContact CG-CZ 3.76Å; L642-M649 HydrophobicContact CD1-CB 4.35Å; L642-I650 WeakPolarHBondContact CA-O 3.44Å; L642-Q651 HydrophobicContact CD1-CB 4.4Å
643	I	93.4	Very high	89.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.6	-175.2	-58.6	164.8	0	0	0	108	V537 L597 I607 L610 L641 M649 I650 I652	V537-I643 HydrophobicContact CB-CD1 4.43Å; V537-I643 HydrophobicContact CG2-CD1 3.99Å; V537-I643 HydrophobicContact CG2-CG1 4.35Å; V537-I643 HydrophobicContact CG2-CG2 4.15Å; L597-I643 HydrophobicContact CB-CD1 4.38Å; L597-I643 HydrophobicContact CD2-CD1 4.13Å; L597-I643 HydrophobicContact CD2-CG2 4.39Å; I607-I643 HydrophobicContact CD1-CG2 3.49Å; I607-I643 VanDerWaalsContact CD1-CG2 3.49Å; I607-I643 HydrophobicContact CG1-CG2 4.42Å; I607-I643 HydrophobicContact CG2-CG2 4.25Å; L610-I643 HydrophobicContact CD2-CB 4.1Å; L610-I643 HydrophobicContact CD2-CG1 3.75Å; L610-I643 HydrophobicContact CD2-CG2 3.98Å; L641-I643 HydrophobicContact CD2-CD1 4.23Å; L641-I643 HydrophobicContact CD2-CG1 3.93Å; L641-I643 HydrophobicContact CG-CG1 3.93Å; I643-M649 CarbonylContact O-C 3.52Å; I643-M649 WeakPolarHBondContact O-CA 3.25Å; I643-I650 HydrophobicContact CB-CB 4.26Å; I643-I650 PolarHBondContact N-O 3.5Å; I643-I650 PolarHBondContact O-N 2.86Å; I643-I652 HydrophobicContact CD1-CD1 3.47Å; I643-I652 VanDerWaalsContact CD1-CD1 3.47Å; I643-I652 HydrophobicContact CD1-CG1 3.93Å
644	F	92.8	Very high	90.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.3	177.9	-61	-98.4	0	0	0	109.3	F41 L43 I51 L53 I607 T608 N609 L611 L642 M649	F41-F644 HydrophobicContact CE2-CB 4.38Å; F41-F644 AromaticContact CE2-CD1 3.84Å; F41-F644 HydrophobicContact CE2-CD1 3.84Å; F41-F644 HydrophobicContact CZ-CD1 4.11Å; L43-F644 HydrophobicContact CD1-CE1 4.47Å; L43-F644 HydrophobicContact CD2-CD2 4.3Å; L43-F644 HydrophobicContact CD2-CE1 4.45Å; L43-F644 HydrophobicContact CD2-CE2 4.16Å; L43-F644 HydrophobicContact CD2-CZ 4.21Å; I51-F644 HydrophobicContact CD1-CZ 4.14Å; I51-F644 HydrophobicContact CG2-CE1 4.02Å; I51-F644 HydrophobicContact CG2-CZ 4.16Å; L53-F644 HydrophobicContact CD2-CD1 4.3Å; L53-F644 HydrophobicContact CD2-CE1 4.03Å; I607-F644 CarbonylContact C-O 3.59Å; I607-F644 WeakPolarHBondContact CA-O 3.43Å; T608-F644 PolarHBondContact N-O 3.42Å; T608-F644 WeakPolarHBondContact OG1-CB 3.31Å; T608-F644 PolarHBondContact OG1-O 2.95Å; N609-F644 HydrophobicContact CB-CB 4.31Å; N609-F644 HydrophobicContact CB-CD2 4.2Å; N609-F644 HydrophobicContact CB-CG 4.48Å; N609-F644 PolarHBondContact O-N 2.87Å; L611-F644 HydrophobicContact CB-CE2 4.06Å; L611-F644 HydrophobicContact CD1-CE2 3.62Å; L611-F644 HydrophobicContact CD1-CZ 3.68Å; L611-F644 HydrophobicContact CG-CE2 3.66Å; L611-F644 HydrophobicContact CG-CZ 4.26Å; L642-F644 HydrophobicContact CB-CE2 4.25Å; L642-F644 HydrophobicContact CD2-CE1 4.26Å; L642-F644 HydrophobicContact CD2-CE2 3.79Å; L642-F644 HydrophobicContact CD2-CZ 3.39Å; L642-F644 HydrophobicContact CG-CE2 3.73Å; L642-F644 HydrophobicContact CG-CZ 3.76Å; F644-M649 HydrophobicContact CD1-CG 3.71Å; F644-M649 HydrophobicContact CD1-SD 3.88Å; F644-M649 HydrophobicContact CE1-CG 3.83Å; F644-M649 HydrophobicContact CE1-SD 3.36Å; F644-M649 WeakPolarHBondContact CE1-SD 3.29Å; F644-M649 HydrophobicContact CZ-SD 4.22Å
645	T	90.6	Very high	90.2	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.165	C	C	.	.			trans	-108.3	-161.7	166.7	71.5	0	0	0	0	109.7	N605 K606 I607 T608 D647 T648	N605-T645 HydrophobicContact CB-CG2 4.5Å; K606-T645 VanDerWaalsContact O-CA 3.22Å; K606-T645 WeakPolarHBondContact O-CA 3.46Å; I607-T645 HydrophobicContact CD1-CG2 4.17Å; T608-T645 WeakPolarHBondContact CG2-O 3.5Å; T608-T645 PolarHBondContact OG1-O 3.18Å; T645-D647 VanDerWaalsContact C-N 3.31Å; T645-D647 PolarHBondContact OG1-N 3.01Å; T645-D647 PolarHBondContact OG1-OD1 2.85Å; T645-T648 PolarHBondContact N-O 3.1Å; T645-T648 PolarHBondContact OG1-N 3.04Å; T645-T648 PolarHBondContact OG1-O 3.02Å; T645-T648 VanDerWaalsContact OG1-O 3.13Å; T645-T648 PolarHBondContact OG1-OG1 2.04Å
646	D	86.6	Confident	90.3	Very high	44 Å²	44	27.1 Å²	27.1	24%	0.235	14%	0.139	C	C	.	.	S	Bend	trans	-74.6	-20.5	174.3	-69.7	-23.8	0	0	0	112.6	K40 F41 T608	K40-D646 VanDerWaalsContact CA-O 3.32Å; K40-D646 WeakPolarHBondContact CA-O 3.41Å; F41-D646 PolarHBondContact N-O 2.88Å; T608-D646 WeakPolarHBondContact CG2-OD1 3.47Å
647	D	86.6	Confident	90.5	Very high	50 Å²	50	21.4 Å²	21.4	27%	0.267	11%	0.111	S	C	.	.	S	Bend	trans	-140.7	-13.2	-173.6	65.9	-1	0	0	0	116.1	F37 V38 G39 F41 T645	F37-D647 HydrophobicContact CD2-CB 4.42Å; F37-D647 HydrophobicContact CE2-CB 3.86Å; F37-D647 WeakPolarHBondContact CE2-OD2 3.24Å; V38-D647 PolarHBondContact N-O 2.84Å; G39-D647 PolarHBondContact N-O 3.15Å; G39-D647 WeakPolarHBondContact O-CA 3.49Å; F41-D647 VanDerWaalsContact CE1-C 3.46Å; T645-D647 VanDerWaalsContact C-N 3.31Å; T645-D647 PolarHBondContact OG1-N 3.01Å; T645-D647 PolarHBondContact OG1-OD1 2.85Å
648	T	88.1	Confident	90.3	Very high	18 Å²	18	25.7 Å²	25.7	11%	0.11	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.3	-172.8	43.8	0	0	0	0	112	M36 F37 T645	M36-T648 CarbonylContact O-C 3.44Å; M36-T648 VanDerWaalsContact O-CA 3.24Å; M36-T648 WeakPolarHBondContact O-CA 2.95Å; F37-T648 HydrophobicContact CB-CG2 4.26Å; F37-T648 HydrophobicContact CD2-CG2 3.76Å; F37-T648 HydrophobicContact CG-CG2 4.47Å; T645-T648 PolarHBondContact N-O 3.1Å; T645-T648 PolarHBondContact OG1-N 3.04Å; T645-T648 PolarHBondContact OG1-O 3.02Å; T645-T648 VanDerWaalsContact OG1-O 3.13Å; T645-T648 PolarHBondContact OG1-OG1 2.04Å
649	M	89.2	Confident	90	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.02	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.6	166.6	-65.4	-167	-54.7	0	0	109.2	M36 V38 F41 L53 V62 L642 I643 F644	M36-M649 HydrophobicContact CB-CB 4.38Å; M36-M649 HydrophobicContact CE-CE 4.09Å; M36-M649 HydrophobicContact CG-CE 4.29Å; M36-M649 PolarHBondContact N-O 2.83Å; M36-M649 PolarHBondContact O-N 2.95Å; M36-M649 HydrophobicContact SD-CE 3.32Å; M36-M649 WeakPolarHBondContact SD-CE 3.38Å; V38-M649 HydrophobicContact CG2-CE 4.02Å; V38-M649 HydrophobicContact CG2-CG 4.06Å; F41-M649 HydrophobicContact CE1-CG 4.32Å; F41-M649 HydrophobicContact CZ-CG 3.86Å; L53-M649 HydrophobicContact CD1-SD 3.9Å; V62-M649 HydrophobicContact CG1-CE 4.2Å; V62-M649 HydrophobicContact CG2-CE 4.04Å; L642-M649 HydrophobicContact CD1-CB 4.35Å; I643-M649 CarbonylContact O-C 3.52Å; I643-M649 WeakPolarHBondContact O-CA 3.25Å; F644-M649 HydrophobicContact CD1-CG 3.71Å; F644-M649 HydrophobicContact CD1-SD 3.88Å; F644-M649 HydrophobicContact CE1-CG 3.83Å; F644-M649 HydrophobicContact CE1-SD 3.36Å; F644-M649 WeakPolarHBondContact CE1-SD 3.29Å; F644-M649 HydrophobicContact CZ-SD 4.22Å
650	I	89.8	Confident	89.7	Confident	11 Å²	11	29.1 Å²	29.1	6%	0.056	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127	-175.7	-51.5	176.9	0	0	0	108.6	E35 L597 L642 I643 I652	E35-I650 HydrophobicContact CG-CD1 4.42Å; E35-I650 HydrophobicContact CG-CG1 4.1Å; E35-I650 HydrophobicContact CG-CG2 4.22Å; L597-I650 HydrophobicContact CD2-CD1 4.06Å; L642-I650 WeakPolarHBondContact CA-O 3.44Å; I643-I650 HydrophobicContact CB-CB 4.26Å; I643-I650 PolarHBondContact N-O 3.5Å; I643-I650 PolarHBondContact O-N 2.86Å; I650-I652 HydrophobicContact CG2-CD1 4.28Å; I650-I652 HydrophobicContact CG2-CG1 3.96Å
651	Q	89.9	Confident	89.6	Confident	30 Å²	30	37.2 Å²	37.2	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.6	174.4	-176.4	-175.9	-9.8	0	0	110.4	H32 S640 L641 L642	H32-Q651 PolarHBondContact ND1-OE1 2.81Å; S640-Q651 PolarHBondContact OG-NE2 2.87Å; L641-Q651 WeakPolarHBondContact O-CA 3.29Å; L642-Q651 HydrophobicContact CD1-CB 4.4Å
652	I	89.8	Confident	89.4	Confident	23 Å²	23	40 Å²	40	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.4	177.7	-58.1	-173.8	0	0	0	110.1	L597 S640 L641 I643 I650	L597-I652 HydrophobicContact CB-CD1 3.99Å; L597-I652 HydrophobicContact CD1-CD1 4.16Å; S640-I652 CarbonylContact C-O 3.53Å; S640-I652 VanDerWaalsContact CA-O 3.24Å; S640-I652 WeakPolarHBondContact CA-O 3.46Å; L641-I652 PolarHBondContact N-O 3.01Å; L641-I652 PolarHBondContact O-N 3.49Å; I643-I652 HydrophobicContact CD1-CD1 3.47Å; I643-I652 VanDerWaalsContact CD1-CD1 3.47Å; I643-I652 HydrophobicContact CD1-CG1 3.93Å; I650-I652 HydrophobicContact CG2-CD1 4.28Å; I650-I652 HydrophobicContact CG2-CG1 3.96Å
653	Q	90.6	Very high	89.4	Confident	94 Å²	94	40.7 Å²	40.7	44%	0.439	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.4	173.1	-174.5	171.8	-13.8	0	0	111.3	I638 S655 Q656	I638-Q653 HydrophobicContact CG2-CG 4.38Å; Q653-S655 WeakPolarHBondContact CG-OG 3.46Å; Q653-S655 PolarHBondContact NE2-OG 2.83Å; Q653-Q656 WeakPolarHBondContact O-CG 3.44Å
654	L	92.2	Very high	89.4	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-74.5	-32.7	-174.2	-68.3	178.7	0	0	0	113.6	Y529 K539 L596 L612 F639 L641 Q656	Y529-L654 HydrophobicContact CD1-CD2 4.44Å; Y529-L654 HydrophobicContact CE1-CD2 3.57Å; Y529-L654 HydrophobicContact CE2-CD1 4.46Å; Y529-L654 HydrophobicContact CE2-CD2 4.25Å; Y529-L654 VanDerWaalsContact CZ-CD2 3.49Å; Y529-L654 WeakPolarHBondContact OH-CD1 2.99Å; Y529-L654 WeakPolarHBondContact OH-CD2 3.26Å; K539-L654 PolarHBondContact NZ-O 3.01Å; L596-L654 HydrophobicContact CD1-CD2 4.27Å; L612-L654 HydrophobicContact CD1-CD1 3.69Å; L612-L654 HydrophobicContact CG-CD1 4.37Å; F639-L654 HydrophobicContact CB-CD1 3.77Å; F639-L654 HydrophobicContact CB-CG 4.45Å; F639-L654 PolarHBondContact O-N 3.44Å; L641-L654 HydrophobicContact CB-CD2 3.77Å; L654-Q656 PolarHBondContact O-N 2.97Å
655	S	88.1	Confident	89.3	Confident	26 Å²	26	46.6 Å²	46.6	18%	0.182	23%	0.227	C	C	.	.			trans	-82.3	109	173	56.3	0	0	0	0	109.1	Q653	Q653-S655 WeakPolarHBondContact CG-OG 3.46Å; Q653-S655 PolarHBondContact NE2-OG 2.83Å
656	Q	86.9	Confident	89.5	Confident	36 Å²	36	46.7 Å²	46.7	17%	0.168	23%	0.228	C	C	.	.			trans	-116.3	33.4	178.8	-61.7	-171.5	-30.5	0	0	111.9	L596 Q653 L654 D658 K659	L596-Q656 HydrophobicContact CD2-CG 4.49Å; Q653-Q656 WeakPolarHBondContact O-CG 3.44Å; L654-Q656 PolarHBondContact O-N 2.97Å; Q656-D658 VanDerWaalsContact C-N 3.27Å; Q656-D658 PolarHBondContact O-N 2.94Å; Q656-K659 HydrophobicContact CB-CD 4.07Å; Q656-K659 PolarHBondContact O-N 3.38Å
657	C	89.7	Confident	89.7	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.02	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.6	-29.1	-174.9	-45.8	0	0	0	0	112.4	K659 V660 C674 C683	C657-K659 PolarHBondContact O-N 3.24Å; C657-V660 VanDerWaalsContact O-CG2 3.3Å; C657-V660 WeakPolarHBondContact O-CG2 3.45Å; C657-V660 PolarHBondContact O-N 3.19Å; C657-C674 WeakPolarHBondContact CA-SG 3.3Å; C657-C674 HydrophobicContact CB-CB 3.8Å; C657-C674 WeakPolarHBondContact CB-SG 3.47Å; C657-C674 WeakPolarHBondContact SG-CA 3.02Å; C657-C674 WeakPolarHBondContact SG-CB 3.42Å; C657-C674 CovalentContact SG-SG 2.04Å; C657-C674 PolarHBondContact SG-SG 3.38Å; C657-C683 HydrophobicContact CB-CB 4.38Å; C657-C683 WeakPolarHBondContact O-CB 3.46Å
658	D	86.4	Confident	89.9	Confident	105 Å²	105	44.9 Å²	44.9	56%	0.561	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-65.1	-10	-178.9	-65.3	-46.7	0	0	0	114.9	Q656 V660 K682	Q656-D658 VanDerWaalsContact C-N 3.27Å; Q656-D658 PolarHBondContact O-N 2.94Å; D658-V660 VanDerWaalsContact C-N 3.26Å; D658-V660 PolarHBondContact O-N 3.09Å; D658-K682 WeakPolarHBondContact OD1-CE 3.36Å; D658-K682 IonicContact OD1-NZ 3.29Å; D658-K682 PolarHBondContact OD1-NZ 3.09Å
659	K	84.5	Confident	90	Very high	137 Å²	137	46.1 Å²	46.1	60%	0.596	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-72.4	-19.4	-178.5	-69.2	-178.2	176.6	177.6	0	113.5	Q656 C657	Q656-K659 HydrophobicContact CB-CD 4.07Å; Q656-K659 PolarHBondContact O-N 3.38Å; C657-K659 PolarHBondContact O-N 3.24Å
660	V	89.3	Confident	90.1	Very high	17 Å²	17	47.4 Å²	47.4	10%	0.103	24%	0.236	C	C	.	.			trans	-113.4	149.3	-175.6	-66.1	0	0	0	0	111.1	C657 D658 E665 C666 L669 C683	C657-V660 VanDerWaalsContact O-CG2 3.3Å; C657-V660 WeakPolarHBondContact O-CG2 3.45Å; C657-V660 PolarHBondContact O-N 3.19Å; D658-V660 VanDerWaalsContact C-N 3.26Å; D658-V660 PolarHBondContact O-N 3.09Å; V660-E665 HydrophobicContact CB-CB 3.67Å; V660-E665 HydrophobicContact CG1-CB 3.84Å; V660-E665 HydrophobicContact CG2-CB 4.46Å; V660-C666 HydrophobicContact CG2-CB 4.13Å; V660-L669 HydrophobicContact CG1-CD1 4.33Å; V660-L669 HydrophobicContact CG1-CD2 4.1Å; V660-L669 HydrophobicContact CG1-CG 4.34Å; V660-L669 HydrophobicContact CG2-CD1 3.85Å; V660-C683 HydrophobicContact CG2-CB 3.61Å
661	K	89.3	Confident	90.2	Very high	178 Å²	178	47.3 Å²	47.3	77%	0.774	24%	0.236	S	C	*	.			trans	-113.7	-18.2	-170.8	-65.4	-175.6	-179.7	-179.2	0	113.5	E665 W676	K661-E665 PolarHBondContact N-OE2 2.67Å; K661-W676 WeakPolarHBondContact O-CH2 3.34Å
662	T	91.6	Very high	90.3	Very high	60 Å²	60	46 Å²	46	37%	0.368	23%	0.23	S	C	.	.	S	Bend	trans	-114.7	155	-176	70.6	0	0	0	0	112.5	R664 E665 C666	T662-R664 VanDerWaalsContact C-N 3.3Å; T662-R664 PolarHBondContact O-N 3.2Å; T662-E665 PolarHBondContact N-OE2 2.99Å; T662-E665 PolarHBondContact O-N 3.08Å; T662-E665 WeakPolarHBondContact OG1-CB 3.38Å; T662-E665 WeakPolarHBondContact OG1-CG 3.4Å; T662-E665 PolarHBondContact OG1-N 2.79Å; T662-E665 PolarHBondContact OG1-OE1 3.41Å; T662-E665 VanDerWaalsContact OG1-OE1 3.1Å; T662-C666 WeakPolarHBondContact O-CB 3.36Å; T662-C666 PolarHBondContact O-N 2.77Å
663	C	93	Very high	90.4	Very high	16 Å²	16	45.9 Å²	45.9	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-54.3	-47.5	175.7	-166.4	0	0	0	0	111.4	E665 C666 L667 W676 C701	C663-E665 PolarHBondContact O-N 3.33Å; C663-C666 WeakPolarHBondContact O-CB 3.35Å; C663-C666 PolarHBondContact O-N 3.03Å; C663-L667 WeakPolarHBondContact O-CG 3.45Å; C663-L667 PolarHBondContact O-N 3.1Å; C663-W676 VanDerWaalsContact CA-CD2 3.41Å; C663-W676 VanDerWaalsContact CA-CE3 3.49Å; C663-W676 HydrophobicContact CB-CD2 3.69Å; C663-W676 HydrophobicContact CB-CE3 4.27Å; C663-W676 HydrophobicContact CB-CG 3.93Å; C663-W676 HydrophobicContact CB-CH2 4.48Å; C663-W676 HydrophobicContact CB-CZ2 3.95Å; C663-W676 VanDerWaalsContact SG-CG 3.52Å; C663-C701 HydrophobicContact CB-CB 3.74Å; C663-C701 WeakPolarHBondContact CB-SG 3.21Å; C663-C701 WeakPolarHBondContact SG-CA 3.24Å; C663-C701 WeakPolarHBondContact SG-CB 3.48Å; C663-C701 CovalentContact SG-SG 2.03Å; C663-C701 PolarHBondContact SG-SG 2.78Å
664	R	91.9	Very high	90.6	Very high	90 Å²	90	41.6 Å²	41.6	34%	0.34	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-42.8	179.3	-178.2	176.1	-92.6	174.8	-7.1	111.9	T662 A668	T662-R664 VanDerWaalsContact C-N 3.3Å; T662-R664 PolarHBondContact O-N 3.2Å; R664-A668 VanDerWaalsContact O-CB 3.27Å; R664-A668 WeakPolarHBondContact O-CB 3.16Å; R664-A668 PolarHBondContact O-N 2.9Å
665	E	91.7	Very high	90.6	Very high	34 Å²	34	43.2 Å²	43.2	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-42.3	175.6	-73.3	160.5	-150.5	0	0	112.2	F575 V660 K661 T662 C663 L667 A668 L669	F575-E665 HydrophobicContact CD1-CG 4.34Å; F575-E665 HydrophobicContact CD2-CG 4.02Å; F575-E665 HydrophobicContact CE1-CG 3.92Å; F575-E665 HydrophobicContact CE2-CG 3.57Å; F575-E665 VanDerWaalsContact CE2-OE1 3.25Å; F575-E665 WeakPolarHBondContact CE2-OE1 3.28Å; F575-E665 HydrophobicContact CG-CG 4.38Å; F575-E665 HydrophobicContact CZ-CG 3.52Å; F575-E665 WeakPolarHBondContact CZ-OE1 3.3Å; V660-E665 HydrophobicContact CB-CB 3.67Å; V660-E665 HydrophobicContact CG1-CB 3.84Å; V660-E665 HydrophobicContact CG2-CB 4.46Å; K661-E665 PolarHBondContact N-OE2 2.67Å; T662-E665 PolarHBondContact N-OE2 2.99Å; T662-E665 PolarHBondContact O-N 3.08Å; T662-E665 WeakPolarHBondContact OG1-CB 3.38Å; T662-E665 WeakPolarHBondContact OG1-CG 3.4Å; T662-E665 PolarHBondContact OG1-N 2.79Å; T662-E665 PolarHBondContact OG1-OE1 3.41Å; T662-E665 VanDerWaalsContact OG1-OE1 3.1Å; C663-E665 PolarHBondContact O-N 3.33Å; E665-L667 PolarHBondContact O-N 3.4Å; E665-A668 PolarHBondContact O-N 3.49Å; E665-L669 PolarHBondContact O-N 2.95Å
666	C	93.6	Very high	90.8	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-46.4	178	-172.5	0	0	0	0	112.2	V660 T662 C663 L669 W676 C683	V660-C666 HydrophobicContact CG2-CB 4.13Å; T662-C666 WeakPolarHBondContact O-CB 3.36Å; T662-C666 PolarHBondContact O-N 2.77Å; C663-C666 WeakPolarHBondContact O-CB 3.35Å; C663-C666 PolarHBondContact O-N 3.03Å; C666-L669 WeakPolarHBondContact O-CB 3.28Å; C666-L669 PolarHBondContact O-N 3.18Å; C666-W676 HydrophobicContact CB-CB 4.33Å; C666-W676 HydrophobicContact CB-CE3 3.8Å; C666-C683 VanDerWaalsContact CA-SG 3.59Å; C666-C683 HydrophobicContact CB-CB 3.57Å; C666-C683 WeakPolarHBondContact CB-SG 3.25Å; C666-C683 VanDerWaalsContact SG-CA 3.58Å; C666-C683 WeakPolarHBondContact SG-CB 3.37Å; C666-C683 CovalentContact SG-SG 2.04Å; C666-C683 PolarHBondContact SG-SG 2.92Å
667	L	92	Very high	91.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-69.1	-36	176.4	-62.2	-172.5	0	0	0	112.6	C663 E665 L669 R670 L690 S691 G696 H698 C701	C663-L667 WeakPolarHBondContact O-CG 3.45Å; C663-L667 PolarHBondContact O-N 3.1Å; E665-L667 PolarHBondContact O-N 3.4Å; L667-L669 PolarHBondContact O-N 3.1Å; L667-R670 PolarHBondContact O-N 2.8Å; L667-L690 HydrophobicContact CD2-CB 4.28Å; L667-L690 VanDerWaalsContact CD2-O 3.31Å; L667-L690 WeakPolarHBondContact CD2-O 3.33Å; L667-S691 VanDerWaalsContact CD2-CA 3.42Å; L667-G696 CarbonylContact C-O 3.41Å; L667-G696 WeakPolarHBondContact CB-O 3.43Å; L667-G696 VanDerWaalsContact O-CA 3.23Å; L667-G696 WeakPolarHBondContact O-CA 2.75Å; L667-H698 HydrophobicContact CD1-CB 3.25Å; L667-C701 HydrophobicContact CD1-CB 4.32Å; L667-C701 WeakPolarHBondContact CD1-SG 3.5Å
668	A	90.5	Very high	91.1	Very high	52 Å²	52	47.5 Å²	47.5	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-23	178.3	0	0	0	0	0	113.1	R664 E665 R670	R664-A668 VanDerWaalsContact O-CB 3.27Å; R664-A668 WeakPolarHBondContact O-CB 3.16Å; R664-A668 PolarHBondContact O-N 2.9Å; E665-A668 PolarHBondContact O-N 3.49Å; A668-R670 PolarHBondContact O-N 3.43Å
669	L	90.2	Very high	91.2	Very high	44 Å²	44	50.4 Å²	50.4	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.9	171.6	-64	178.5	0	0	0	112.2	V660 E665 C666 L667 D671 C674	V660-L669 HydrophobicContact CG1-CD1 4.33Å; V660-L669 HydrophobicContact CG1-CD2 4.1Å; V660-L669 HydrophobicContact CG1-CG 4.34Å; V660-L669 HydrophobicContact CG2-CD1 3.85Å; E665-L669 PolarHBondContact O-N 2.95Å; C666-L669 WeakPolarHBondContact O-CB 3.28Å; C666-L669 PolarHBondContact O-N 3.18Å; L667-L669 PolarHBondContact O-N 3.1Å; L669-D671 HydrophobicContact CB-CB 4.18Å; L669-D671 PolarHBondContact O-N 3.46Å; L669-C674 HydrophobicContact CD1-CB 4.32Å
670	R	91.1	Very high	91.6	Very high	32 Å²	32	49.6 Å²	49.6	12%	0.121	25%	0.247	C	C	.	.			trans	50.7	26.9	-174.4	-60.7	173.4	60.5	-179	3.8	112.8	H591 L667 A668 P672 I693 L694	H591-R670 PolarHBondContact CD2-NH1 3.06Å; H591-R670 PolarHBondContact NE2-NH1 2.79Å; H591-R670 VanDerWaalsContact NE2-NH1 3.2Å; L667-R670 PolarHBondContact O-N 2.8Å; A668-R670 PolarHBondContact O-N 3.43Å; R670-P672 WeakPolarHBondContact O-CD 3.28Å; R670-I693 PolarHBondContact NE-O 2.67Å; R670-I693 PolarHBondContact NH2-O 2.91Å; R670-I693 VanDerWaalsContact NH2-O 3.1Å; R670-L694 PolarHBondContact NH2-O 3.43Å
671	D	93.1	Very high	91.6	Very high	9 Å²	9	56 Å²	56	5%	0.048	28%	0.276	C	S	.	.			trans	-87.4	119.6	-179.6	-167.6	-23.7	0	0	0	109.1	K539 I593 L669 D673 C674	K539-D671 IonicContact NZ-OD1 3.9Å; K539-D671 PolarHBondContact NZ-OD1 3.13Å; K539-D671 IonicContact NZ-OD2 2.71Å; K539-D671 PolarHBondContact NZ-OD2 2.88Å; I593-D671 HydrophobicContact CG2-CB 3.65Å; L669-D671 HydrophobicContact CB-CB 4.18Å; L669-D671 PolarHBondContact O-N 3.46Å; D671-D673 PolarHBondContact O-N 2.82Å; D671-D673 VanDerWaalsContact O-N 3.12Å; D671-D673 WeakPolarHBondContact OD1-CB 3.18Å; D671-D673 PolarHBondContact OD1-N 2.93Å; D671-C674 HydrophobicContact CB-CB 4.18Å; D671-C674 PolarHBondContact O-N 2.81Å
672	P	91.8	Very high	91.8	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.019	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.6	178.7	-20.3	32	0	0	0	115	Y525 I527 L541 R670 Y675 I693	Y525-P672 HydrophobicContact CD2-CG 4.11Å; Y525-P672 HydrophobicContact CE2-CB 3.69Å; Y525-P672 HydrophobicContact CE2-CG 3.53Å; Y525-P672 WeakPolarHBondContact OH-CB 3.49Å; I527-P672 HydrophobicContact CD1-CB 4.38Å; I527-P672 HydrophobicContact CD1-CG 3.92Å; L541-P672 HydrophobicContact CD1-CG 3.96Å; R670-P672 WeakPolarHBondContact O-CD 3.28Å; P672-Y675 VanDerWaalsContact O-CE2 3.27Å; P672-Y675 WeakPolarHBondContact O-CE2 3.47Å; P672-Y675 PolarHBondContact O-OH 2.98Å; P672-I693 HydrophobicContact CB-CG2 4.19Å; P672-I693 HydrophobicContact CG-CG2 3.93Å
673	D	91.6	Very high	91.9	Very high	20 Å²	20	49.2 Å²	49.2	11%	0.107	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.1	173.1	-71.5	-46.8	0	0	0	112.6	R505 H506 K539 D671 T685	R505-D673 IonicContact CZ-OD1 2.95Å; R505-D673 IonicContact NH1-OD1 3.22Å; R505-D673 PolarHBondContact NH1-OD1 2.87Å; R505-D673 IonicContact NH1-OD2 2.69Å; R505-D673 IonicContact NH2-OD1 3.13Å; R505-D673 IonicContact NH2-OD2 3.63Å; R505-D673 PolarHBondContact NH2-OD2 2.83Å; H506-D673 IonicContact CE1-OD1 3.91Å; H506-D673 PolarHBondContact CE1-OD1 3.15Å; H506-D673 IonicContact CE1-OD2 2.66Å; H506-D673 IonicContact NE2-OD1 3.98Å; K539-D673 IonicContact NZ-OD2 2.98Å; K539-D673 PolarHBondContact NZ-OD2 2.86Å; D671-D673 PolarHBondContact O-N 2.82Å; D671-D673 VanDerWaalsContact O-N 3.12Å; D671-D673 WeakPolarHBondContact OD1-CB 3.18Å; D671-D673 PolarHBondContact OD1-N 2.93Å; D673-T685 WeakPolarHBondContact O-CA 3.49Å
674	C	93.5	Very high	91.8	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.027	24%	0.243	C	C	.	.			trans	-113.8	133.9	-171.9	-60.9	0	0	0	0	113.4	C657 L669 D671 D684	C657-C674 WeakPolarHBondContact CA-SG 3.3Å; C657-C674 HydrophobicContact CB-CB 3.8Å; C657-C674 WeakPolarHBondContact CB-SG 3.47Å; C657-C674 WeakPolarHBondContact SG-CA 3.02Å; C657-C674 WeakPolarHBondContact SG-CB 3.42Å; C657-C674 CovalentContact SG-SG 2.04Å; C657-C674 PolarHBondContact SG-SG 3.38Å; L669-C674 HydrophobicContact CD1-CB 4.32Å; D671-C674 HydrophobicContact CB-CB 4.18Å; D671-C674 PolarHBondContact O-N 2.81Å; C674-D684 WeakPolarHBondContact CA-O 3.44Å
675	Y	92.3	Very high	91.7	Very high	35 Å²	35	49.2 Å²	49.2	14%	0.137	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.5	-177.9	-59.6	-101.6	0	0	0	109.5	P672 N677 C683 D684 N686 L690 S691	P672-Y675 VanDerWaalsContact O-CE2 3.27Å; P672-Y675 WeakPolarHBondContact O-CE2 3.47Å; P672-Y675 PolarHBondContact O-OH 2.98Å; Y675-N677 PolarHBondContact O-N 3.4Å; Y675-C683 WeakPolarHBondContact O-CA 3.29Å; Y675-D684 PolarHBondContact N-O 2.87Å; Y675-D684 PolarHBondContact O-N 3.05Å; Y675-N686 WeakPolarHBondContact CB-O 3.16Å; Y675-N686 VanDerWaalsContact CG-O 3.23Å; Y675-L690 CarbonylContact C-O 3.49Å; Y675-L690 WeakPolarHBondContact CA-O 3.41Å; Y675-S691 WeakPolarHBondContact CD1-OG 3.49Å; Y675-S691 VanDerWaalsContact CE1-OG 3.24Å; Y675-S691 WeakPolarHBondContact CE1-OG 3.22Å
676	W	93.4	Very high	91.4	Very high	27 Å²	27	50.3 Å²	50.3	10%	0.102	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111.2	173.5	-179.7	-100.3	0	0	0	110.4	K661 C663 C666 K678 Q681 C683 G689 L690	K661-W676 WeakPolarHBondContact O-CH2 3.34Å; C663-W676 VanDerWaalsContact CA-CD2 3.41Å; C663-W676 VanDerWaalsContact CA-CE3 3.49Å; C663-W676 HydrophobicContact CB-CD2 3.69Å; C663-W676 HydrophobicContact CB-CE3 4.27Å; C663-W676 HydrophobicContact CB-CG 3.93Å; C663-W676 HydrophobicContact CB-CH2 4.48Å; C663-W676 HydrophobicContact CB-CZ2 3.95Å; C663-W676 VanDerWaalsContact SG-CG 3.52Å; C666-W676 HydrophobicContact CB-CB 4.33Å; C666-W676 HydrophobicContact CB-CE3 3.8Å; W676-K678 PolarHBondContact O-N 3.41Å; W676-Q681 VanDerWaalsContact CH2-C 3.44Å; W676-Q681 VanDerWaalsContact CH2-O 3.23Å; W676-Q681 WeakPolarHBondContact CH2-O 3.3Å; W676-Q681 HydrophobicContact CZ2-CB 4.34Å; W676-C683 HydrophobicContact CE3-CB 4.22Å; W676-G689 CarbonylContact O-C 3.56Å; W676-G689 WeakPolarHBondContact O-CA 3.42Å; W676-L690 HydrophobicContact CB-CB 4.18Å; W676-L690 PolarHBondContact N-O 2.73Å; W676-L690 PolarHBondContact O-N 2.74Å
677	N	91.9	Very high	90.9	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.08	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.7	175.3	-172.9	-30.5	0	0	0	110.1	Y675 L679 L680 Q681 K682 D684	Y675-N677 PolarHBondContact O-N 3.4Å; N677-L679 VanDerWaalsContact C-N 3.3Å; N677-L679 PolarHBondContact O-N 2.81Å; N677-L679 WeakPolarHBondContact OD1-CB 3.13Å; N677-L679 PolarHBondContact OD1-N 3.23Å; N677-L680 HydrophobicContact CB-CB 4.3Å; N677-L680 WeakPolarHBondContact ND2-CD1 3.48Å; N677-L680 PolarHBondContact OD1-N 2.86Å; N677-L680 VanDerWaalsContact OD1-N 3.12Å; N677-Q681 WeakPolarHBondContact O-CA 3.29Å; N677-Q681 PolarHBondContact O-N 3.14Å; N677-K682 WeakPolarHBondContact CB-O 3.22Å; N677-K682 PolarHBondContact N-O 2.82Å; N677-K682 PolarHBondContact O-N 2.78Å; N677-D684 VanDerWaalsContact CB-OD2 3.25Å; N677-D684 WeakPolarHBondContact CB-OD2 3.47Å; N677-D684 PolarHBondContact ND2-OD2 3.4Å
678	K	89.9	Confident	90.6	Very high	113 Å²	113	61.8 Å²	61.8	49%	0.491	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-32.8	-179.7	-68.7	-177.1	177.4	178.8	0	113.1	W676 L690 D700	W676-K678 PolarHBondContact O-N 3.41Å; K678-L690 VanDerWaalsContact CE-CD1 3.46Å; K678-D700 IonicContact NZ-OD2 2.8Å; K678-D700 PolarHBondContact NZ-OD2 3.33Å
679	L	90.2	Very high	90.4	Very high	165 Å²	165	60.1 Å²	60.1	86%	0.864	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-44.9	-177.6	-63.9	174.1	0	0	0	111.4	N677 Q681	N677-L679 VanDerWaalsContact C-N 3.3Å; N677-L679 PolarHBondContact O-N 2.81Å; N677-L679 WeakPolarHBondContact OD1-CB 3.13Å; N677-L679 PolarHBondContact OD1-N 3.23Å; L679-Q681 VanDerWaalsContact C-N 3.33Å
680	L	91	Very high	90.3	Very high	121 Å²	121	59 Å²	59	63%	0.634	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.4	179.2	-62.3	-178.6	0	0	0	113.5	N677 K682	N677-L680 HydrophobicContact CB-CB 4.3Å; N677-L680 WeakPolarHBondContact ND2-CD1 3.48Å; N677-L680 PolarHBondContact OD1-N 2.86Å; N677-L680 VanDerWaalsContact OD1-N 3.12Å; L680-K682 HydrophobicContact CB-CB 4.41Å; L680-K682 PolarHBondContact O-N 2.89Å
681	Q	91.2	Very high	90.2	Very high	152 Å²	152	58.6 Å²	58.6	71%	0.71	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	42.3	-173.6	-62.1	-174.1	-23.9	0	0	112.6	W676 N677 L679	W676-Q681 VanDerWaalsContact CH2-C 3.44Å; W676-Q681 VanDerWaalsContact CH2-O 3.23Å; W676-Q681 WeakPolarHBondContact CH2-O 3.3Å; W676-Q681 HydrophobicContact CZ2-CB 4.34Å; N677-Q681 WeakPolarHBondContact O-CA 3.29Å; N677-Q681 PolarHBondContact O-N 3.14Å; L679-Q681 VanDerWaalsContact C-N 3.33Å
682	K	93	Very high	90	Very high	95 Å²	95	58.3 Å²	58.3	41%	0.413	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.9	-174.7	-166.7	179.9	173.1	-159.5	0	110.4	D658 N677 L680 D684	D658-K682 WeakPolarHBondContact OD1-CE 3.36Å; D658-K682 IonicContact OD1-NZ 3.29Å; D658-K682 PolarHBondContact OD1-NZ 3.09Å; N677-K682 WeakPolarHBondContact CB-O 3.22Å; N677-K682 PolarHBondContact N-O 2.82Å; N677-K682 PolarHBondContact O-N 2.78Å; L680-K682 HydrophobicContact CB-CB 4.41Å; L680-K682 PolarHBondContact O-N 2.89Å; K682-D684 PolarHBondContact O-N 2.85Å
683	C	93.4	Very high	89.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114	168.9	-162.7	0	0	0	0	108.9	C657 V660 C666 Y675 W676	C657-C683 HydrophobicContact CB-CB 4.38Å; C657-C683 WeakPolarHBondContact O-CB 3.46Å; V660-C683 HydrophobicContact CG2-CB 3.61Å; C666-C683 VanDerWaalsContact CA-SG 3.59Å; C666-C683 HydrophobicContact CB-CB 3.57Å; C666-C683 WeakPolarHBondContact CB-SG 3.25Å; C666-C683 VanDerWaalsContact SG-CA 3.58Å; C666-C683 WeakPolarHBondContact SG-CB 3.37Å; C666-C683 CovalentContact SG-SG 2.04Å; C666-C683 PolarHBondContact SG-SG 2.92Å; Y675-C683 WeakPolarHBondContact O-CA 3.29Å; W676-C683 HydrophobicContact CE3-CB 4.22Å
684	D	91.2	Very high	89.5	Confident	27 Å²	27	58.5 Å²	58.5	14%	0.144	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-170.8	-178.6	71	12.2	0	0	0	110.8	C674 Y675 N677 K682 N686	C674-D684 WeakPolarHBondContact CA-O 3.44Å; Y675-D684 PolarHBondContact N-O 2.87Å; Y675-D684 PolarHBondContact O-N 3.05Å; N677-D684 VanDerWaalsContact CB-OD2 3.25Å; N677-D684 WeakPolarHBondContact CB-OD2 3.47Å; N677-D684 PolarHBondContact ND2-OD2 3.4Å; K682-D684 PolarHBondContact O-N 2.85Å; D684-N686 VanDerWaalsContact OD1-CB 3.27Å; D684-N686 WeakPolarHBondContact OD1-CB 3.28Å; D684-N686 PolarHBondContact OD1-N 2.91Å
685	T	89.1	Confident	89.1	Confident	78 Å²	78	61.2 Å²	61.2	48%	0.479	32%	0.318	S	S	.	.	S	Bend	trans	-98.8	13.2	178.8	58.3	0	0	0	0	112.7	D673 S687	D673-T685 WeakPolarHBondContact O-CA 3.49Å; T685-S687 PolarHBondContact O-N 3.38Å
686	N	84.9	Confident	88.9	Confident	58 Å²	58	59.6 Å²	59.6	31%	0.31	31%	0.312	S	S	.	.			trans	-78.4	114.1	-179.3	-177.1	6.3	0	0	0	110.5	Y675 D684 E688 G689	Y675-N686 WeakPolarHBondContact CB-O 3.16Å; Y675-N686 VanDerWaalsContact CG-O 3.23Å; D684-N686 VanDerWaalsContact OD1-CB 3.27Å; D684-N686 WeakPolarHBondContact OD1-CB 3.28Å; D684-N686 PolarHBondContact OD1-N 2.91Å; N686-E688 PolarHBondContact O-N 2.65Å; N686-E688 PolarHBondContact OD1-N 2.87Å; N686-G689 PolarHBondContact O-N 2.7Å
687	S	83.7	Confident	88.5	Confident	76 Å²	76	63.1 Å²	63.1	53%	0.531	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.7	-177.8	54.1	0	0	0	0	115.5	T685 G689	T685-S687 PolarHBondContact O-N 3.38Å; S687-G689 VanDerWaalsContact C-N 3.29Å
688	E	84.8	Confident	88.3	Confident	172 Å²	172	65.2 Å²	65.2	80%	0.804	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-12.8	174.7	-63.5	-178.6	166.5	0	0	113.4	N686	N686-E688 PolarHBondContact O-N 2.65Å; N686-E688 PolarHBondContact OD1-N 2.87Å
689	G	86.6	Confident	88.1	Confident	17 Å²	17	68.8 Å²	68.8	18%	0.175	35%	0.353	C	S	.	.	S	Bend	trans	-73.2	177.1	178.3	0	0	0	0	0	114.2	W676 N686 S687	W676-G689 CarbonylContact O-C 3.56Å; W676-G689 WeakPolarHBondContact O-CA 3.42Å; N686-G689 PolarHBondContact O-N 2.7Å; S687-G689 VanDerWaalsContact C-N 3.29Å
690	L	88.8	Confident	87.8	Confident	21 Å²	21	65.2 Å²	65.2	11%	0.11	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-75.9	134.4	174.5	-56.2	174	0	0	0	110.5	L667 Y675 W676 K678 D700	L667-L690 HydrophobicContact CD2-CB 4.28Å; L667-L690 VanDerWaalsContact CD2-O 3.31Å; L667-L690 WeakPolarHBondContact CD2-O 3.33Å; Y675-L690 CarbonylContact C-O 3.49Å; Y675-L690 WeakPolarHBondContact CA-O 3.41Å; W676-L690 HydrophobicContact CB-CB 4.18Å; W676-L690 PolarHBondContact N-O 2.73Å; W676-L690 PolarHBondContact O-N 2.74Å; K678-L690 VanDerWaalsContact CE-CD1 3.46Å; L690-D700 HydrophobicContact CD1-CB 3.76Å
691	S	89.5	Confident	87.5	Confident	23 Å²	23	60.7 Å²	60.7	16%	0.161	31%	0.313	C	S	.	.			trans	-146.3	150.2	170.3	67.9	0	0	0	0	111.5	Y511 L667 Y675	Y511-S691 PolarHBondContact OH-O 3.31Å; Y511-S691 VanDerWaalsContact OH-O 3.12Å; L667-S691 VanDerWaalsContact CD2-CA 3.42Å; Y675-S691 WeakPolarHBondContact CD1-OG 3.49Å; Y675-S691 VanDerWaalsContact CE1-OG 3.24Å; Y675-S691 WeakPolarHBondContact CE1-OG 3.22Å
692	N	88.3	Confident	86.6	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.016	30%	0.299	C	S	.	.			trans	-147.9	97.3	169.7	-166.4	-31.2	0	0	0	111.2	Y511 T515 L694 T695 G696 F697	Y511-N692 WeakPolarHBondContact OH-CA 3.27Å; T515-N692 WeakPolarHBondContact CG2-ND2 3.47Å; N692-L694 VanDerWaalsContact C-N 3.28Å; N692-L694 PolarHBondContact O-N 2.9Å; N692-L694 PolarHBondContact OD1-N 2.79Å; N692-T695 PolarHBondContact ND2-OG1 2.96Å; N692-T695 PolarHBondContact OD1-N 3.45Å; N692-T695 PolarHBondContact OD1-OG1 2.71Å; N692-G696 VanDerWaalsContact O-CA 3.26Å; N692-G696 WeakPolarHBondContact O-CA 3.46Å; N692-G696 PolarHBondContact O-N 2.72Å; N692-F697 WeakPolarHBondContact CB-O 3.28Å; N692-F697 PolarHBondContact ND2-O 2.79Å
693	I	88.6	Confident	84.7	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.9	-177.7	70.5	170.8	0	0	0	112.7	Y511 Y525 F543 R670 P672	Y511-I693 HydrophobicContact CD1-CD1 3.87Å; Y511-I693 HydrophobicContact CD1-CG1 3.74Å; Y511-I693 HydrophobicContact CD2-CD1 3.66Å; Y511-I693 HydrophobicContact CD2-CG1 3.84Å; Y511-I693 HydrophobicContact CD2-CG2 4.35Å; Y511-I693 HydrophobicContact CE1-CD1 4.47Å; Y511-I693 HydrophobicContact CE1-CG1 3.87Å; Y511-I693 HydrophobicContact CE2-CD1 4.31Å; Y511-I693 HydrophobicContact CE2-CG1 3.98Å; Y511-I693 HydrophobicContact CE2-CG2 4.15Å; Y511-I693 HydrophobicContact CG-CD1 3.41Å; Y511-I693 VanDerWaalsContact CG-CD1 3.41Å; Y511-I693 HydrophobicContact CG-CG1 3.72Å; Y525-I693 HydrophobicContact CD1-CD1 3.95Å; Y525-I693 HydrophobicContact CE1-CD1 4.21Å; Y525-I693 HydrophobicContact CG-CD1 4.33Å; F543-I693 HydrophobicContact CE1-CD1 4.2Å; F543-I693 HydrophobicContact CE1-CG1 4.48Å; R670-I693 PolarHBondContact NE-O 2.67Å; R670-I693 PolarHBondContact NH2-O 2.91Å; R670-I693 VanDerWaalsContact NH2-O 3.1Å; P672-I693 HydrophobicContact CB-CG2 4.19Å; P672-I693 HydrophobicContact CG-CG2 3.93Å
694	L	85.3	Confident	82.4	Confident	24 Å²	24	61.9 Å²	61.9	13%	0.126	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-51	-175.4	-58.8	172.6	0	0	0	111.8	Y511 D513 I523 F543 R670 N692	Y511-L694 HydrophobicContact CD1-CD1 4.37Å; Y511-L694 HydrophobicContact CD1-CG 4.36Å; Y511-L694 HydrophobicContact CE1-CD1 4.17Å; Y511-L694 HydrophobicContact CE1-CG 4.19Å; D513-L694 HydrophobicContact CB-CD1 3.95Å; D513-L694 WeakPolarHBondContact OD2-CD1 3.1Å; I523-L694 HydrophobicContact CD1-CD1 3.32Å; I523-L694 HydrophobicContact CD1-CD2 3.41Å; I523-L694 VanDerWaalsContact CD1-CD2 3.41Å; I523-L694 HydrophobicContact CD1-CG 3.93Å; I523-L694 HydrophobicContact CG2-CD2 4.41Å; F543-L694 HydrophobicContact CD1-CD2 4.36Å; F543-L694 HydrophobicContact CE1-CD2 3.67Å; F543-L694 HydrophobicContact CZ-CD2 4.05Å; R670-L694 PolarHBondContact NH2-O 3.43Å; N692-L694 VanDerWaalsContact C-N 3.28Å; N692-L694 PolarHBondContact O-N 2.9Å; N692-L694 PolarHBondContact OD1-N 2.79Å
695	T	84.1	Confident	79.7	Confident	61 Å²	61	66.9 Å²	66.9	37%	0.374	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-27.2	-175.2	73.1	0	0	0	0	112.3	N692 F697	N692-T695 PolarHBondContact ND2-OG1 2.96Å; N692-T695 PolarHBondContact OD1-N 3.45Å; N692-T695 PolarHBondContact OD1-OG1 2.71Å; T695-F697 WeakPolarHBondContact O-CD2 3.32Å; T695-F697 WeakPolarHBondContact O-CE2 3.44Å; T695-F697 PolarHBondContact OG1-N 2.71Å; T695-F697 PolarHBondContact OG1-O 2.85Å
696	G	87.6	Confident	77.1	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.01	38%	0.375	C	S	.	.	S	Bend	trans	72.6	12.9	-168.8	0	0	0	0	0	114.1	L667 N692	L667-G696 CarbonylContact C-O 3.41Å; L667-G696 WeakPolarHBondContact CB-O 3.43Å; L667-G696 VanDerWaalsContact O-CA 3.23Å; L667-G696 WeakPolarHBondContact O-CA 2.75Å; N692-G696 VanDerWaalsContact O-CA 3.26Å; N692-G696 WeakPolarHBondContact O-CA 3.46Å; N692-G696 PolarHBondContact O-N 2.72Å
697	F	86.5	Confident	74.8	Confident	101 Å²	101	72.2 Å²	72.2	44%	0.443	40%	0.395	S	S	.	.			trans	-129.2	147.8	-179.1	-63.4	-80	0	0	0	112.1	L572 N692 T695	L572-F697 HydrophobicContact CD2-CE1 4.43Å; L572-F697 HydrophobicContact CD2-CZ 4.03Å; N692-F697 WeakPolarHBondContact CB-O 3.28Å; N692-F697 PolarHBondContact ND2-O 2.79Å; T695-F697 WeakPolarHBondContact O-CD2 3.32Å; T695-F697 WeakPolarHBondContact O-CE2 3.44Å; T695-F697 PolarHBondContact OG1-N 2.71Å; T695-F697 PolarHBondContact OG1-O 2.85Å
698	H	86.3	Confident	72.6	Confident	59 Å²	59	77.4 Å²	77.4	27%	0.273	41%	0.411	S	S	.	.			trans	-144.5	139.6	171.6	-165.3	-79.7	0	0	0	109	L667 D700 C701	L667-H698 HydrophobicContact CD1-CB 3.25Å; H698-D700 VanDerWaalsContact C-N 3.31Å; H698-D700 IonicContact CE1-OD1 2.83Å; H698-D700 PolarHBondContact CE1-OD1 2.66Å; H698-D700 IonicContact CE1-OD2 2.65Å; H698-D700 PolarHBondContact CE1-OD2 3.47Å; H698-D700 WeakPolarHBondContact ND1-CB 3.45Å; H698-D700 PolarHBondContact ND1-N 3.21Å; H698-D700 VanDerWaalsContact ND1-N 3.19Å; H698-D700 IonicContact ND1-OD1 3.94Å; H698-D700 IonicContact ND1-OD2 2.99Å; H698-D700 PolarHBondContact O-N 2.64Å; H698-C701 PolarHBondContact O-N 3.09Å; H698-C701 VanDerWaalsContact O-N 3.15Å
699	K	85.1	Confident	70.5	Confident	188 Å²	188	73.1 Å²	73.1	82%	0.817	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-59.6	-41.8	-176	-63.8	178.6	-178.7	175.6	0	112	C701 G702	K699-C701 PolarHBondContact O-N 3.06Å; K699-C701 VanDerWaalsContact O-N 3.11Å; K699-G702 PolarHBondContact O-N 3.2Å; K699-G702 VanDerWaalsContact O-N 3.16Å
700	D	85.1	Confident	68	Low	91 Å²	91	80 Å²	80	49%	0.487	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-62.3	-14.8	178.6	-60.1	12.9	0	0	0	115.4	K678 L690 H698 G702	K678-D700 IonicContact NZ-OD2 2.8Å; K678-D700 PolarHBondContact NZ-OD2 3.33Å; L690-D700 HydrophobicContact CD1-CB 3.76Å; H698-D700 VanDerWaalsContact C-N 3.31Å; H698-D700 IonicContact CE1-OD1 2.83Å; H698-D700 PolarHBondContact CE1-OD1 2.66Å; H698-D700 IonicContact CE1-OD2 2.65Å; H698-D700 PolarHBondContact CE1-OD2 3.47Å; H698-D700 WeakPolarHBondContact ND1-CB 3.45Å; H698-D700 PolarHBondContact ND1-N 3.21Å; H698-D700 VanDerWaalsContact ND1-N 3.19Å; H698-D700 IonicContact ND1-OD1 3.94Å; H698-D700 IonicContact ND1-OD2 2.99Å; H698-D700 PolarHBondContact O-N 2.64Å; D700-G702 PolarHBondContact O-N 3.27Å
701	C	85.2	Confident	65.6	Low	26 Å²	26	86.6 Å²	86.6	18%	0.176	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-76	-2.6	175.8	-78	0	0	0	0	113.5	C663 L667 H698 K699	C663-C701 HydrophobicContact CB-CB 3.74Å; C663-C701 WeakPolarHBondContact CB-SG 3.21Å; C663-C701 WeakPolarHBondContact SG-CA 3.24Å; C663-C701 WeakPolarHBondContact SG-CB 3.48Å; C663-C701 CovalentContact SG-SG 2.03Å; C663-C701 PolarHBondContact SG-SG 2.78Å; L667-C701 HydrophobicContact CD1-CB 4.32Å; L667-C701 WeakPolarHBondContact CD1-SG 3.5Å; H698-C701 PolarHBondContact O-N 3.09Å; H698-C701 VanDerWaalsContact O-N 3.15Å; K699-C701 PolarHBondContact O-N 3.06Å; K699-C701 VanDerWaalsContact O-N 3.11Å
702	G	71.3	Confident	63.1	Low	40 Å²	40	93.4 Å²	93.4	41%	0.412	50%	0.495	S	S	.	.			trans	67.2	152.3	179.1	0	0	0	0	0	113.8	K699 D700	K699-G702 PolarHBondContact O-N 3.2Å; K699-G702 VanDerWaalsContact O-N 3.16Å; D700-G702 PolarHBondContact O-N 3.27Å
703	E	53.5	Low	60.5	Low	161 Å²	161	101.8 Å²	101.8	75%	0.752	53%	0.531	S	S	*	.			trans	-74.4	133.3	151.9	-68.8	-177.4	165.6	0	0	105.9	N705	E703-N705 VanDerWaalsContact C-N 3.27Å; E703-N705 PolarHBondContact O-N 3.3Å
704	S	44.5	Very low	57.7	Low	71 Å²	71	109.1 Å²	109.1	50%	0.497	57%	0.57	S	S	.	*			trans	-58.1	96.3	171.8	48.3	0	0	0	0	108.2	D706	S704-D706 PolarHBondContact O-N 3.07Å
705	N	35.8	Very low	55.2	Low	131 Å²	131	113.8 Å²	113.8	70%	0.701	61%	0.605	S	S	*	*			trans	-64	117.4	154.8	-76	-8.4	0	0	0	104.6	E703 V707	E703-N705 VanDerWaalsContact C-N 3.27Å; E703-N705 PolarHBondContact O-N 3.3Å; N705-V707 VanDerWaalsContact C-N 3.32Å; N705-V707 WeakPolarHBondContact O-CG2 3.48Å; N705-V707 PolarHBondContact O-N 2.88Å
706	D	34	Very low	52.4	Low	129 Å²	129	118.7 Å²	118.7	69%	0.69	63%	0.629	S	S	*	*			trans	-51.3	101	164.8	-63.7	-48.3	0	0	0	107.6	S704 E708 S709	S704-D706 PolarHBondContact O-N 3.07Å; D706-E708 PolarHBondContact O-N 2.8Å; D706-S709 PolarHBondContact O-N 3.31Å; D706-S709 PolarHBondContact O-OG 3.33Å
707	V	36.2	Very low	49.8	Very low	119 Å²	119	126 Å²	126	72%	0.721	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	34.9	175.1	-170.7	0	0	0	0	110.3	N705	N705-V707 VanDerWaalsContact C-N 3.32Å; N705-V707 WeakPolarHBondContact O-CG2 3.48Å; N705-V707 PolarHBondContact O-N 2.88Å
708	E	37.5	Very low	47	Very low	186 Å²	186	126.8 Å²	126.8	87%	0.869	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	12.8	166.2	-161.5	140.6	-156.2	0	0	111.7	D706	D706-E708 PolarHBondContact O-N 2.8Å
709	S	41.3	Very low	44.5	Very low	82 Å²	82	130.7 Å²	130.7	57%	0.573	71%	0.709	S	S	*	*	S	Bend	trans	-129.1	8.9	178	63.9	0	0	0	0	117.2	D706	D706-S709 PolarHBondContact O-N 3.31Å; D706-S709 PolarHBondContact O-OG 3.33Å
710	E	34.5	Very low	41.7	Very low	162 Å²	162	128.7 Å²	128.7	76%	0.757	71%	0.707	S	S	*	*	S	Bend	trans	-107	-5.4	171.8	-82.5	-169.5	165.8	0	0	115.4
711	I	36.4	Very low	38.7	Very low	159 Å²	159	131.5 Å²	131.5	82%	0.815	72%	0.722	S	S	*	*	S	Bend	trans	-89.3	-15.8	172.3	-61.3	178	0	0	0	112.1
712	L	37.7	Very low	36	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	75%	0.753	S	S	*	*	S	Bend	trans	-103.7	20.3	-177.1	-140.1	92.9	0	0	0	115.7
713	K	33.7	Very low	33.8	Very low	178 Å²	178	138.3 Å²	138.3	77%	0.774	77%	0.765	S	S	*	*	S	Bend	trans	-125.8	11.2	-179.3	-87.7	-169.6	178	-179.2	0	117.4
714	N	29.3	Very low	32.5	Very low	157 Å²	157	141 Å²	141	84%	0.84	77%	0.774	S	S	*	*	S	Bend	trans	-132.6	77	174.5	-80.5	-19.2	0	0	0	112.2
715	S	34	Very low	31.7	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	79%	0.787	S	S	*	*			trans	-179.5	84.7	134.9	53	0	0	0	0	111.2	I717	S715-I717 PolarHBondContact O-N 3.03Å
716	D	25.8	Very low	31.1	Very low	164 Å²	164	142.7 Å²	142.7	88%	0.877	80%	0.796	S	S	*	*			trans	-69.5	111.5	153	-70.4	-47.6	0	0	0	108.7
717	I	31.3	Very low	30.7	Very low	154 Å²	154	146.5 Å²	146.5	79%	0.79	81%	0.806	S	S	*	*			trans	-154.7	128.8	141.9	-57.7	-169.6	0	0	0	109	S715	S715-I717 PolarHBondContact O-N 3.03Å
718	P	29.1	Very low	30.3	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	80%	0.803	S	S	*	*			trans	-92.3	139.7	-179.8	36	-30.5	0	0	0	111.8
719	V	33.1	Very low	29.7	Very low	141 Å²	141	143.3 Å²	143.3	86%	0.855	80%	0.804	S	S	*	*			trans	-142.4	131	156.9	-179.1	0	0	0	0	109.5
720	D	27.1	Very low	29	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	81%	0.813	S	S	*	*			trans	-59	158.1	-174.9	-68.4	-59	0	0	0	116.5
721	L	22.1	Very low	28.6	Very low	151 Å²	151	143.4 Å²	143.4	79%	0.791	82%	0.82	S	S	*	*			trans	-14.7	143.7	160	-89	68.9	0	0	0	116.8
722	P	27.2	Very low	28.2	Very low	128 Å²	128	143.7 Å²	143.7	83%	0.831	82%	0.822	S	S	*	*				-128.6	128.1	104.1	29.8	-18.2	0	0	0	113.1
723	A	25	Very low	28	Very low	80 Å²	80	145.5 Å²	145.5	66%	0.661	82%	0.823	S	S	*	*			trans	-68.7	121.9	158.2	0	0	0	0	0	110.2
724	K	27.5	Very low	28.2	Very low	217 Å²	217	142.4 Å²	142.4	94%	0.943	82%	0.821	S	S	*	*			trans	177.9	120	141.2	-110.7	171.4	178	173.9	0	110
725	G	27.3	Very low	28.7	Very low	76 Å²	76	143.5 Å²	143.5	78%	0.784	82%	0.819	S	S	*	*			trans	156.1	59.9	168.2	0	0	0	0	0	113.8	F727	G725-F727 PolarHBondContact O-N 3.34Å
726	N	22.4	Very low	29.3	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	81%	0.814	S	S	*	*			trans	-65.1	117.9	153	-72.9	-13.4	0	0	0	106.8
727	F	26.5	Very low	30.2	Very low	209 Å²	209	143.7 Å²	143.7	92%	0.917	81%	0.805	S	S	*	*			trans	-149.8	118.6	147.5	-130	-90.3	0	0	0	110.7	G725	G725-F727 PolarHBondContact O-N 3.34Å
728	S	27.4	Very low	31.4	Very low	93 Å²	93	141.3 Å²	141.3	65%	0.65	79%	0.793	S	S	*	*			trans	-58.9	147.4	177.6	-47	0	0	0	0	112.5	G730	S728-G730 PolarHBondContact O-N 3.22Å
729	T	25.1	Very low	32.3	Very low	144 Å²	144	144.7 Å²	144.7	88%	0.883	79%	0.791	S	S	*	*			trans	24.5	97	138.3	59.1	0	0	0	0	116.6
730	G	26.5	Very low	33.4	Very low	74 Å²	74	144 Å²	144	76%	0.763	78%	0.782	S	S	*	*			trans	-137.6	89.7	166.6	0	0	0	0	0	109.5	S728 L732	S728-G730 PolarHBondContact O-N 3.22Å; G730-L732 PolarHBondContact O-N 2.97Å
731	L	25.7	Very low	34.9	Very low	173 Å²	173	144.5 Å²	144.5	91%	0.906	78%	0.784	S	S	*	*			trans	-44.3	127.3	156	-117	87	0	0	0	108.7
732	L	28.9	Very low	36.6	Very low	165 Å²	165	141.9 Å²	141.9	86%	0.864	77%	0.77	S	S	*	*			trans	160.6	88.6	142	-85.7	165.5	0	0	0	108.1	G730	G730-L732 PolarHBondContact O-N 2.97Å
733	F	32.7	Very low	38.5	Very low	203 Å²	203	141.8 Å²	141.8	89%	0.89	76%	0.757	S	S	*	*			trans	-100.9	138.9	155	-89.1	-82.4	0	0	0	108.8
734	P	37.6	Very low	40.6	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	75%	0.753	S	S	*	*			trans	-84.1	144.4	-158.2	8.1	9.4	0	0	0	111.4	Q736	P734-Q736 PolarHBondContact O-N 2.88Å
735	F	39.6	Very low	43.1	Very low	181 Å²	181	133.8 Å²	133.8	79%	0.794	73%	0.728	S	S	*	*	S	Bend	trans	-52.8	99.9	162.6	-76.7	-95.4	0	0	0	110.6	I738	F735-I738 HydrophobicContact CD1-CD1 4.36Å; F735-I738 HydrophobicContact CE1-CD1 4.45Å
736	Q	47	Very low	45.7	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	72%	0.717	S	S	*	*			trans	-166.1	46.8	150.8	-154.7	64.6	10.8	0	0	113.7	P734	P734-Q736 PolarHBondContact O-N 2.88Å
737	N	45.9	Very low	48.7	Very low	129 Å²	129	131.6 Å²	131.6	69%	0.69	70%	0.695	S	S	*	*			trans	-150.4	14.3	168	-100.2	-18.5	0	0	0	116.6	W739	N737-W739 PolarHBondContact O-N 3.23Å
738	I	55.3	Low	51.6	Low	104 Å²	104	123.7 Å²	123.7	53%	0.533	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.9	-21.1	175.2	-67.8	169.9	0	0	0	112.2	F735 N740 L741 L742	F735-I738 HydrophobicContact CD1-CD1 4.36Å; F735-I738 HydrophobicContact CE1-CD1 4.45Å; I738-N740 VanDerWaalsContact C-N 3.32Å; I738-N740 PolarHBondContact O-N 3Å; I738-L741 PolarHBondContact O-N 3.46Å; I738-L742 HydrophobicContact CG2-CD1 3.91Å
739	W	48.3	Very low	54.6	Low	190 Å²	190	124.4 Å²	124.4	72%	0.72	67%	0.667	S	S	*	*	H	α-helix	trans	-68.1	-25.6	-178	-86.8	79.6	0	0	0	114.5	N737 L741 F743	N737-W739 PolarHBondContact O-N 3.23Å; W739-L741 VanDerWaalsContact C-N 3.34Å; W739-L741 PolarHBondContact O-N 3.25Å; W739-F743 HydrophobicContact CE3-CD2 4.06Å; W739-F743 HydrophobicContact CE3-CE2 4.15Å; W739-F743 HydrophobicContact CZ3-CD2 4.26Å; W739-F743 AromaticContact CZ3-CE2 3.97Å; W739-F743 HydrophobicContact CZ3-CE2 3.97Å
740	N	55.4	Low	57.7	Low	126 Å²	126	122.1 Å²	122.1	67%	0.674	65%	0.648	S	S	*	*	H	α-helix	trans	-78.4	-16.3	-178.2	-72.1	-9.4	0	0	0	113.8	I738	I738-N740 VanDerWaalsContact C-N 3.32Å; I738-N740 PolarHBondContact O-N 3Å
741	L	58.6	Low	60.7	Low	156 Å²	156	123 Å²	123	82%	0.817	64%	0.635	S	S	*	*	H	α-helix	trans	-94	-25.5	178	-139	84.2	0	0	0	113	I738 W739	I738-L741 PolarHBondContact O-N 3.46Å; W739-L741 VanDerWaalsContact C-N 3.34Å; W739-L741 PolarHBondContact O-N 3.25Å
742	L	58	Low	63.8	Low	96 Å²	96	116.8 Å²	116.8	50%	0.503	61%	0.613	S	S	.	*	H	α-helix	trans	-88.4	-27.8	-176	-80.7	165.7	0	0	0	113.8	I738 G745 F746	I738-L742 HydrophobicContact CG2-CD1 3.91Å; L742-G745 PolarHBondContact O-N 2.91Å; L742-F746 HydrophobicContact CB-CD2 4.4Å; L742-F746 HydrophobicContact CD2-CE2 4.29Å; L742-F746 WeakPolarHBondContact O-CD2 3.32Å; L742-F746 PolarHBondContact O-N 3.29Å
743	F	67.1	Low	66.9	Low	126 Å²	126	114.1 Å²	114.1	55%	0.553	60%	0.599	S	S	*	*	H	α-helix	trans	-59.7	-46.7	-176.4	-131.4	-86.1	0	0	0	114.9	W739 G745 F746 V747	W739-F743 HydrophobicContact CE3-CD2 4.06Å; W739-F743 HydrophobicContact CE3-CE2 4.15Å; W739-F743 HydrophobicContact CZ3-CD2 4.26Å; W739-F743 AromaticContact CZ3-CE2 3.97Å; W739-F743 HydrophobicContact CZ3-CE2 3.97Å; F743-G745 VanDerWaalsContact C-N 3.29Å; F743-G745 PolarHBondContact O-N 2.8Å; F743-F746 PolarHBondContact O-N 2.74Å; F743-V747 HydrophobicContact CD1-CG2 4.07Å; F743-V747 HydrophobicContact CE1-CG2 4.34Å; F743-V747 WeakPolarHBondContact O-CG2 3.23Å; F743-V747 PolarHBondContact O-N 2.91Å; F743-V747 VanDerWaalsContact O-N 3.07Å
744	P	70.7	Confident	69.7	Low	89 Å²	89	108.9 Å²	108.9	58%	0.578	58%	0.579	S	S	*	*	H	α-helix	trans	-68	-30.8	179.1	24.4	-31.3	0	0	0	112.5	G748	P744-G748 PolarHBondContact O-N 3.47Å
745	G	78.8	Confident	72.3	Confident	40 Å²	40	108 Å²	108	41%	0.412	57%	0.567	S	S	.	*	H	α-helix	trans	-65.1	-46.4	174.7	0	0	0	0	0	112.4	L742 F743 G748 I749	L742-G745 PolarHBondContact O-N 2.91Å; F743-G745 VanDerWaalsContact C-N 3.29Å; F743-G745 PolarHBondContact O-N 2.8Å; G745-G748 PolarHBondContact O-N 2.62Å; G745-I749 WeakPolarHBondContact O-CG1 3.44Å; G745-I749 PolarHBondContact O-N 3.05Å; G745-I749 VanDerWaalsContact O-N 3.09Å
746	F	82.4	Confident	74.8	Confident	127 Å²	127	101.2 Å²	101.2	56%	0.557	55%	0.548	S	S	*	.	H	α-helix	trans	-65.1	-41	177.3	-91.9	-80.8	0	0	0	112.6	L742 F743 G748 I749 I750	L742-F746 HydrophobicContact CB-CD2 4.4Å; L742-F746 HydrophobicContact CD2-CE2 4.29Å; L742-F746 WeakPolarHBondContact O-CD2 3.32Å; L742-F746 PolarHBondContact O-N 3.29Å; F743-F746 PolarHBondContact O-N 2.74Å; F746-G748 VanDerWaalsContact C-N 3.34Å; F746-G748 PolarHBondContact O-N 3.11Å; F746-I749 PolarHBondContact O-N 2.96Å; F746-I750 VanDerWaalsContact O-CG1 3.31Å; F746-I750 WeakPolarHBondContact O-CG1 3.35Å; F746-I750 PolarHBondContact O-N 3.34Å
747	V	86.2	Confident	76.9	Confident	66 Å²	66	98 Å²	98	40%	0.4	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-41.9	176.6	174.3	0	0	0	0	111	F743 I749 I750 I751	F743-V747 HydrophobicContact CD1-CG2 4.07Å; F743-V747 HydrophobicContact CE1-CG2 4.34Å; F743-V747 WeakPolarHBondContact O-CG2 3.23Å; F743-V747 PolarHBondContact O-N 2.91Å; F743-V747 VanDerWaalsContact O-N 3.07Å; V747-I749 PolarHBondContact O-N 3.46Å; V747-I750 PolarHBondContact O-N 3.16Å; V747-I751 HydrophobicContact CG1-CD1 3.79Å; V747-I751 HydrophobicContact CG1-CG1 4.46Å; V747-I751 WeakPolarHBondContact O-CG1 3.33Å; V747-I751 PolarHBondContact O-N 2.89Å
748	G	87.3	Confident	79	Confident	43 Å²	43	96.1 Å²	96.1	44%	0.443	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175.7	0	0	0	0	0	113.4	P744 G745 F746 I751 G752	P744-G748 PolarHBondContact O-N 3.47Å; G745-G748 PolarHBondContact O-N 2.62Å; F746-G748 VanDerWaalsContact C-N 3.34Å; F746-G748 PolarHBondContact O-N 3.11Å; G748-I751 PolarHBondContact O-N 2.9Å; G748-G752 PolarHBondContact O-N 3.18Å
749	I	89.8	Confident	80.6	Confident	108 Å²	108	96.3 Å²	96.3	55%	0.554	53%	0.526	S	S	*	.	H	α-helix	trans	-65.8	-41.2	177.3	-67.9	166.4	0	0	0	111.2	G745 F746 V747 G752 L753	G745-I749 WeakPolarHBondContact O-CG1 3.44Å; G745-I749 PolarHBondContact O-N 3.05Å; G745-I749 VanDerWaalsContact O-N 3.09Å; F746-I749 PolarHBondContact O-N 2.96Å; V747-I749 PolarHBondContact O-N 3.46Å; I749-G752 PolarHBondContact O-N 3.05Å; I749-L753 HydrophobicContact CG2-CD1 4.44Å; I749-L753 WeakPolarHBondContact O-CB 3.36Å; I749-L753 PolarHBondContact O-N 2.96Å
750	I	90.1	Very high	82.5	Confident	95 Å²	95	93.6 Å²	93.6	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-44.5	178.5	-67.9	167.7	0	0	0	110.9	F746 V747 G752 L753 I754	F746-I750 VanDerWaalsContact O-CG1 3.31Å; F746-I750 WeakPolarHBondContact O-CG1 3.35Å; F746-I750 PolarHBondContact O-N 3.34Å; V747-I750 PolarHBondContact O-N 3.16Å; I750-G752 VanDerWaalsContact C-N 3.35Å; I750-G752 PolarHBondContact O-N 3.09Å; I750-L753 PolarHBondContact O-N 2.92Å; I750-I754 HydrophobicContact CG2-CD1 3.92Å; I750-I754 WeakPolarHBondContact O-CG1 3.4Å; I750-I754 PolarHBondContact O-N 3.41Å
751	I	90.4	Very high	84	Confident	92 Å²	92	91.8 Å²	91.8	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-43.7	176.9	-67	167.3	0	0	0	110.6	V747 G748 L753 I754 I755	V747-I751 HydrophobicContact CG1-CD1 3.79Å; V747-I751 HydrophobicContact CG1-CG1 4.46Å; V747-I751 WeakPolarHBondContact O-CG1 3.33Å; V747-I751 PolarHBondContact O-N 2.89Å; G748-I751 PolarHBondContact O-N 2.9Å; I751-L753 VanDerWaalsContact C-N 3.35Å; I751-L753 PolarHBondContact O-N 3.05Å; I751-I754 PolarHBondContact O-N 2.98Å; I751-I755 HydrophobicContact CG2-CD1 3.82Å; I751-I755 WeakPolarHBondContact O-CG1 3.35Å; I751-I755 PolarHBondContact O-N 2.84Å
752	G	90.7	Very high	85.2	Confident	44 Å²	44	88.2 Å²	88.2	45%	0.454	49%	0.49	S	S	.	.	H	α-helix	trans	-60.5	-41	175.9	0	0	0	0	0	113.2	G748 I749 I750 G756	G748-G752 PolarHBondContact O-N 3.18Å; I749-G752 PolarHBondContact O-N 3.05Å; I750-G752 VanDerWaalsContact C-N 3.35Å; I750-G752 PolarHBondContact O-N 3.09Å; G752-G756 PolarHBondContact O-N 3.22Å
753	L	93.2	Very high	86.4	Confident	109 Å²	109	92.2 Å²	92.2	57%	0.571	50%	0.498	S	S	*	.	H	α-helix	trans	-64.7	-42.9	175.4	-97.7	167.8	0	0	0	112.4	I749 I750 I751 G756 I757	I749-L753 HydrophobicContact CG2-CD1 4.44Å; I749-L753 WeakPolarHBondContact O-CB 3.36Å; I749-L753 PolarHBondContact O-N 2.96Å; I750-L753 PolarHBondContact O-N 2.92Å; I751-L753 VanDerWaalsContact C-N 3.35Å; I751-L753 PolarHBondContact O-N 3.05Å; L753-G756 PolarHBondContact O-N 3.35Å; L753-I757 WeakPolarHBondContact O-CB 3.3Å; L753-I757 VanDerWaalsContact O-CG1 3.26Å; L753-I757 WeakPolarHBondContact O-CG1 3.32Å; L753-I757 PolarHBondContact O-N 3.04Å
754	I	92	Very high	87	Confident	93 Å²	93	92.7 Å²	92.7	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-63	-46.2	178.5	-68.5	167.2	0	0	0	110.5	I750 I751 G756 I757 I758	I750-I754 HydrophobicContact CG2-CD1 3.92Å; I750-I754 WeakPolarHBondContact O-CG1 3.4Å; I750-I754 PolarHBondContact O-N 3.41Å; I751-I754 PolarHBondContact O-N 2.98Å; I754-G756 VanDerWaalsContact C-N 3.33Å; I754-G756 PolarHBondContact O-N 3.41Å; I754-I757 PolarHBondContact O-N 3.48Å; I754-I758 HydrophobicContact CG2-CD1 3.88Å; I754-I758 VanDerWaalsContact O-CG1 3.31Å; I754-I758 WeakPolarHBondContact O-CG1 3.19Å; I754-I758 PolarHBondContact O-N 3.4Å
755	I	91.5	Very high	87.1	Confident	94 Å²	94	96 Å²	96	48%	0.482	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-43.3	177.1	-65.7	168	0	0	0	110.6	I751 I758 L759	I751-I755 HydrophobicContact CG2-CD1 3.82Å; I751-I755 WeakPolarHBondContact O-CG1 3.35Å; I751-I755 PolarHBondContact O-N 2.84Å; I755-I758 PolarHBondContact O-N 3.2Å; I755-L759 HydrophobicContact CG2-CD1 4.09Å; I755-L759 WeakPolarHBondContact O-CG 3.44Å; I755-L759 PolarHBondContact O-N 2.83Å
756	G	91.6	Very high	86.8	Confident	38 Å²	38	102.1 Å²	102.1	39%	0.392	52%	0.517	S	S	.	.	H	α-helix	trans	-60.8	-43.4	176.4	0	0	0	0	0	113.3	G752 L753 I754 L759 F760	G752-G756 PolarHBondContact O-N 3.22Å; L753-G756 PolarHBondContact O-N 3.35Å; I754-G756 VanDerWaalsContact C-N 3.33Å; I754-G756 PolarHBondContact O-N 3.41Å; G756-L759 PolarHBondContact O-N 2.71Å; G756-F760 WeakPolarHBondContact O-CB 3.18Å; G756-F760 PolarHBondContact O-N 3.41Å
757	I	91.8	Very high	85.9	Confident	93 Å²	93	100.9 Å²	100.9	48%	0.477	52%	0.516	S	S	.	.	H	α-helix	trans	-64.9	-42.4	177.3	-70.3	165.1	0	0	0	110.9	L753 I754 F760 I761	L753-I757 WeakPolarHBondContact O-CB 3.3Å; L753-I757 VanDerWaalsContact O-CG1 3.26Å; L753-I757 WeakPolarHBondContact O-CG1 3.32Å; L753-I757 PolarHBondContact O-N 3.04Å; I754-I757 PolarHBondContact O-N 3.48Å; I757-F760 PolarHBondContact O-N 2.85Å; I757-I761 HydrophobicContact CG2-CD1 3.77Å; I757-I761 HydrophobicContact CG2-CG1 4.39Å; I757-I761 VanDerWaalsContact O-CG1 3.27Å; I757-I761 WeakPolarHBondContact O-CG1 3.23Å; I757-I761 PolarHBondContact O-N 2.86Å
758	I	90.2	Very high	84.2	Confident	90 Å²	90	106.2 Å²	106.2	46%	0.462	53%	0.534	S	S	.	.	H	α-helix	trans	-61.8	-47.7	177.3	-69.2	167.4	0	0	0	110.6	I754 I755 F760 I761 I762	I754-I758 HydrophobicContact CG2-CD1 3.88Å; I754-I758 VanDerWaalsContact O-CG1 3.31Å; I754-I758 WeakPolarHBondContact O-CG1 3.19Å; I754-I758 PolarHBondContact O-N 3.4Å; I755-I758 PolarHBondContact O-N 3.2Å; I758-F760 VanDerWaalsContact C-N 3.3Å; I758-F760 PolarHBondContact O-N 3.49Å; I758-I761 PolarHBondContact O-N 3.49Å; I758-I762 HydrophobicContact CG2-CD1 3.88Å; I758-I762 VanDerWaalsContact O-CG1 3.29Å; I758-I762 WeakPolarHBondContact O-CG1 3.37Å; I758-I762 PolarHBondContact O-N 2.83Å
759	L	88.8	Confident	82.4	Confident	108 Å²	108	110.8 Å²	110.8	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-62.3	-37.2	176.6	-70.8	173.7	0	0	0	112.2	I755 G756 I762 R763	I755-L759 HydrophobicContact CG2-CD1 4.09Å; I755-L759 WeakPolarHBondContact O-CG 3.44Å; I755-L759 PolarHBondContact O-N 2.83Å; G756-L759 PolarHBondContact O-N 2.71Å; L759-I762 PolarHBondContact O-N 3.38Å; L759-R763 WeakPolarHBondContact O-CB 3.26Å; L759-R763 PolarHBondContact O-N 2.85Å
760	F	88.6	Confident	80.2	Confident	132 Å²	132	109 Å²	109	58%	0.579	55%	0.545	S	S	*	.	H	α-helix	trans	-66.3	-41.9	175.3	-174.6	-98.9	0	0	0	112.3	G756 I757 I758 R763 K764	G756-F760 WeakPolarHBondContact O-CB 3.18Å; G756-F760 PolarHBondContact O-N 3.41Å; I757-F760 PolarHBondContact O-N 2.85Å; I758-F760 VanDerWaalsContact C-N 3.3Å; I758-F760 PolarHBondContact O-N 3.49Å; F760-R763 PolarHBondContact O-N 3.28Å; F760-K764 HydrophobicContact CE1-CD 4.33Å; F760-K764 WeakPolarHBondContact O-CB 3.33Å; F760-K764 PolarHBondContact O-N 3.26Å
761	I	85.4	Confident	77.7	Confident	88 Å²	88	111.7 Å²	111.7	45%	0.451	56%	0.555	S	S	.	*	H	α-helix	trans	-63.5	-42.8	175.2	-68.8	166.2	0	0	0	110.6	I757 I758 K764 K765	I757-I761 HydrophobicContact CG2-CD1 3.77Å; I757-I761 HydrophobicContact CG2-CG1 4.39Å; I757-I761 VanDerWaalsContact O-CG1 3.27Å; I757-I761 WeakPolarHBondContact O-CG1 3.23Å; I757-I761 PolarHBondContact O-N 2.86Å; I758-I761 PolarHBondContact O-N 3.49Å; I761-K764 PolarHBondContact O-N 2.93Å; I761-K765 PolarHBondContact O-N 3.4Å
762	I	84.3	Confident	75.3	Confident	81 Å²	81	112.5 Å²	112.5	42%	0.415	57%	0.569	S	S	.	*	H	α-helix	trans	-60.2	-51	175	-68.2	166.8	0	0	0	109.7	I758 L759 K764 K765 Y766	I758-I762 HydrophobicContact CG2-CD1 3.88Å; I758-I762 VanDerWaalsContact O-CG1 3.29Å; I758-I762 WeakPolarHBondContact O-CG1 3.37Å; I758-I762 PolarHBondContact O-N 2.83Å; L759-I762 PolarHBondContact O-N 3.38Å; I762-K764 VanDerWaalsContact C-N 3.31Å; I762-K764 PolarHBondContact O-N 3.06Å; I762-K765 PolarHBondContact O-N 3.45Å; I762-K765 VanDerWaalsContact O-N 3.15Å; I762-Y766 HydrophobicContact CG2-CD2 3.69Å; I762-Y766 HydrophobicContact CG2-CE2 3.8Å; I762-Y766 WeakPolarHBondContact O-CD2 3.48Å; I762-Y766 PolarHBondContact O-N 3.34Å
763	R	84.2	Confident	72.5	Confident	180 Å²	180	121.7 Å²	121.7	68%	0.679	59%	0.59	S	S	*	*	H	α-helix	trans	-58.5	-41	177.9	-174	175.9	174.5	162.6	-1.5	112.1	L759 F760 Y766 L767	L759-R763 WeakPolarHBondContact O-CB 3.26Å; L759-R763 PolarHBondContact O-N 2.85Å; F760-R763 PolarHBondContact O-N 3.28Å; R763-Y766 PolarHBondContact O-N 2.85Å; R763-L767 WeakPolarHBondContact O-CB 3.21Å; R763-L767 PolarHBondContact O-N 3.05Å
764	K	78.1	Confident	69.4	Low	136 Å²	136	127 Å²	127	59%	0.591	60%	0.602	S	S	*	*	H	α-helix	trans	-67.7	-36.7	178.2	-158.9	176.7	-175.2	179.2	0	112	F760 I761 I762 L767 K768	F760-K764 HydrophobicContact CE1-CD 4.33Å; F760-K764 WeakPolarHBondContact O-CB 3.33Å; F760-K764 PolarHBondContact O-N 3.26Å; I761-K764 PolarHBondContact O-N 2.93Å; I762-K764 VanDerWaalsContact C-N 3.31Å; I762-K764 PolarHBondContact O-N 3.06Å; K764-L767 PolarHBondContact O-N 2.85Å; K764-K768 PolarHBondContact O-N 3.35Å
765	K	74.4	Confident	66.4	Low	160 Å²	160	130.6 Å²	130.6	70%	0.696	62%	0.621	S	S	*	*	H	α-helix	trans	-64.9	-43.6	170.8	-87.7	-172.8	174.4	-178.6	0	111.6	I761 I762 L767 K768 L769	I761-K765 PolarHBondContact O-N 3.4Å; I762-K765 PolarHBondContact O-N 3.45Å; I762-K765 VanDerWaalsContact O-N 3.15Å; K765-L767 PolarHBondContact O-N 2.9Å; K765-K768 PolarHBondContact O-N 2.9Å; K765-L769 PolarHBondContact O-N 3.45Å
766	Y	70.6	Confident	63.3	Low	167 Å²	167	131 Å²	131	66%	0.655	63%	0.633	S	S	*	*	H	α-helix	trans	-65.3	-37.3	176	-89.8	-83	0	0	0	112.6	I762 R763 L769 S770	I762-Y766 HydrophobicContact CG2-CD2 3.69Å; I762-Y766 HydrophobicContact CG2-CE2 3.8Å; I762-Y766 WeakPolarHBondContact O-CD2 3.48Å; I762-Y766 PolarHBondContact O-N 3.34Å; R763-Y766 PolarHBondContact O-N 2.85Å; Y766-L769 PolarHBondContact O-N 3.38Å; Y766-S770 WeakPolarHBondContact O-CB 3.36Å; Y766-S770 PolarHBondContact O-N 3.2Å; Y766-S770 PolarHBondContact O-OG 2.95Å
767	L	64.3	Low	60.1	Low	102 Å²	102	137.9 Å²	137.9	53%	0.534	66%	0.657	S	S	.	*	H	α-helix	trans	-70.2	-35.1	176.8	-130.6	100.6	0	0	0	112.5	R763 K764 K765 L769 S770 H771	R763-L767 WeakPolarHBondContact O-CB 3.21Å; R763-L767 PolarHBondContact O-N 3.05Å; K764-L767 PolarHBondContact O-N 2.85Å; K765-L767 PolarHBondContact O-N 2.9Å; L767-L769 VanDerWaalsContact C-N 3.3Å; L767-S770 WeakPolarHBondContact CA-OG 3.41Å; L767-S770 PolarHBondContact O-N 3.43Å; L767-S770 PolarHBondContact O-OG 3.02Å; L767-S770 VanDerWaalsContact O-OG 3.08Å; L767-H771 PolarHBondContact O-N 3.45Å
768	K	51	Low	57	Low	178 Å²	178	138.8 Å²	138.8	77%	0.774	67%	0.667	S	S	*	*	H	α-helix	trans	-68.4	-31.1	172.2	-105.7	-176.1	174.6	-173.7	0	112.1	K764 K765	K764-K768 PolarHBondContact O-N 3.35Å; K765-K768 PolarHBondContact O-N 2.9Å
769	L	48.6	Very low	53.9	Low	138 Å²	138	140.8 Å²	140.8	72%	0.723	68%	0.679	S	S	*	*	H	α-helix	trans	-78.1	-30.6	175.3	-149.6	75.3	0	0	0	112.3	K765 Y766 L767 H771	K765-L769 PolarHBondContact O-N 3.45Å; Y766-L769 PolarHBondContact O-N 3.38Å; L767-L769 VanDerWaalsContact C-N 3.3Å; L769-H771 VanDerWaalsContact C-N 3.31Å; L769-H771 PolarHBondContact O-N 3.02Å
770	S	44.1	Very low	51.1	Low	72 Å²	72	145.1 Å²	145.1	50%	0.503	70%	0.695	S	S	.	*	H	α-helix	trans	-77.3	-13.7	177.8	72	0	0	0	0	113.9	Y766 L767 S772	Y766-S770 WeakPolarHBondContact O-CB 3.36Å; Y766-S770 PolarHBondContact O-N 3.2Å; Y766-S770 PolarHBondContact O-OG 2.95Å; L767-S770 WeakPolarHBondContact CA-OG 3.41Å; L767-S770 PolarHBondContact O-N 3.43Å; L767-S770 PolarHBondContact O-OG 3.02Å; L767-S770 VanDerWaalsContact O-OG 3.08Å; S770-S772 VanDerWaalsContact C-N 3.27Å; S770-S772 PolarHBondContact O-N 3Å
771	H	37.7	Very low	48	Very low	150 Å²	150	146.6 Å²	146.6	69%	0.694	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-3	178.8	-125.7	-45.2	0	0	0	114.6	L767 L769	L767-H771 PolarHBondContact O-N 3.45Å; L769-H771 VanDerWaalsContact C-N 3.31Å; L769-H771 PolarHBondContact O-N 3.02Å
772	S	40.4	Very low	45.3	Very low	110 Å²	110	148.6 Å²	148.6	77%	0.769	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	10.6	176	-140.7	0	0	0	0	114.5	S770	S770-S772 VanDerWaalsContact C-N 3.27Å; S770-S772 PolarHBondContact O-N 3Å
773	R	32.1	Very low	42.7	Very low	236 Å²	236	149.4 Å²	149.4	89%	0.891	73%	0.734	S	S	*	*			trans	-136.4	66.2	171.5	-70.4	-172.1	-175.1	179.7	1.5	111.4
774	R	28.1	Very low	39.7	Very low	221 Å²	221	148 Å²	148	83%	0.834	74%	0.738	S	S	*	*			trans	-117.2	99.7	153.2	-92.6	-171.3	-178.9	-177.7	1.1	107.5
775	L	28.4	Very low	37.2	Very low	168 Å²	168	149 Å²	149	88%	0.88	75%	0.75	S	S	*	*			trans	-147.2	134.9	150.3	-136.4	82	0	0	0	108.7
776	S	27.2	Very low	35.1	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	76%	0.759	S	S	*	*			trans	61.1	89.7	166.8	62.5	0	0	0	0	119
777	M	24.4	Very low	33	Very low	182 Å²	182	142.1 Å²	142.1	90%	0.897	76%	0.76	S	S	*	*			trans	-143.6	98.2	140	-113.2	-88.7	93.7	0	0	107.1
778	T	26.9	Very low	31	Very low	112 Å²	112	147 Å²	147	69%	0.687	78%	0.777	S	S	*	*			trans	-106.2	121.8	171.1	41.8	0	0	0	0	109.1
779	N	24.5	Very low	29.8	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	78%	0.782	S	S	*	*			trans	53.4	110.9	141.5	-61.3	-7	0	0	0	119.6
780	H	29.9	Very low	28.9	Very low	198 Å²	198	150.3 Å²	150.3	92%	0.917	79%	0.789	S	S	*	*				-148.1	112.4	118.3	-107.1	-70.4	0	0	0	110.5
781	Q	22.6	Very low	28.2	Very low	163 Å²	163	155.2 Å²	155.2	76%	0.762	81%	0.807	S	S	*	*			trans	-90.6	145.3	165.8	-93.2	164.4	-54.6	0	0	109.5
782	T	29.7	Very low	27.5	Very low	131 Å²	131	156.2 Å²	156.2	80%	0.804	81%	0.812	S	S	*	*			trans	164.6	104.6	136.8	33.9	0	0	0	0	109.3
783	S	28.7	Very low	26.9	Very low	98 Å²	98	157.8 Å²	157.8	69%	0.685	81%	0.812	S	S	*	*				62.5	103.9	106.3	68.5	0	0	0	0	114.4
784	I	22.1	Very low	26.7	Very low	150 Å²	150	156.4 Å²	156.4	77%	0.769	81%	0.813	S	S	*	*				65.9	120	71	-60.7	177.3	0	0	0	114.2
785	N	25.3	Very low	26.5	Very low	157 Å²	157	151.7 Å²	151.7	84%	0.84	81%	0.808	S	S	*	*			trans	81.6	104.6	154.5	-69.3	-10.7	0	0	0	121
786	G	30	Very low	26.3	Very low	87 Å²	87	151.6 Å²	151.6	90%	0.897	80%	0.803	S	S	*	*			trans	-174.4	39.3	161.6	0	0	0	0	0	112.4
787	S	26.2	Very low	26	Very low	96 Å²	96	153.6 Å²	153.6	67%	0.671	81%	0.806	S	S	*	*			trans	-107.6	147.8	166.9	62	0	0	0	0	108.2
788	F	23.4	Very low	26.1	Very low	204 Å²	204	152.4 Å²	152.4	90%	0.895	80%	0.798	S	S	*	*			trans	99.1	66.5	-171.7	-67.5	-83.4	0	0	0	116.3
789	K	26.3	Very low	25.9	Very low	201 Å²	201	156 Å²	156	87%	0.874	81%	0.807	S	S	*	*	S	Bend		-165.5	138.6	126.7	-109.2	165.6	-177.7	179.1	0	110.9
790	Q	29.7	Very low	26	Very low	184 Å²	184	159.1 Å²	159.1	86%	0.86	81%	0.81	S	S	*	*			trans	76.7	72.1	167.9	-64.9	172.5	-14.6	0	0	117.2
791	I	29.2	Very low	25.5	Very low	175 Å²	175	156.6 Å²	156.6	90%	0.897	80%	0.803	S	S	*	*			trans	-113.6	77.6	141.3	-55.7	175.6	0	0	0	106.3
792	H	23.8	Very low	25.6	Very low	172 Å²	172	159 Å²	159	80%	0.796	81%	0.807	S	S	*	*			trans	-141.3	130.4	158.1	-101.6	-78.3	0	0	0	106.4
793	N	26	Very low	25.5	Very low	142 Å²	142	158.1 Å²	158.1	76%	0.759	80%	0.803	S	S	*	*			trans	85.7	96.9	-178.8	-54	-12.4	0	0	0	114.2
794	F	27.6	Very low	25.1	Very low	207 Å²	207	161.1 Å²	161.1	91%	0.908	81%	0.81	S	S	*	*				-166.6	87.7	118.7	-105.1	-75.6	0	0	0	108.6
795	T	23.8	Very low	25.2	Very low	122 Å²	122	162.5 Å²	162.5	75%	0.748	81%	0.813	S	S	*	*			trans	-80.3	134.2	154.8	38.4	0	0	0	0	108.6
796	H	25	Very low	25.2	Very low	167 Å²	167	163.8 Å²	163.8	77%	0.773	81%	0.814	S	S	*	*	S	Bend	trans	67.1	90.2	160	-71.3	46.5	0	0	0	116.9
797	N	22.1	Very low	25	Very low	144 Å²	144	164.4 Å²	164.4	77%	0.77	80%	0.804	S	S	*	*				171.4	127.7	124	-88.5	-20	0	0	0	107.9
798	H	25.8	Very low	24.9	Very low	158 Å²	158	169.9 Å²	169.9	73%	0.731	82%	0.816	S	S	*	*			trans	-174.4	94.8	137.4	-88.9	-51	0	0	0	108.7	Y800	H798-Y800 HydrophobicContact CB-CD2 4.15Å; H798-Y800 HydrophobicContact CB-CE2 3.86Å; H798-Y800 PolarHBondContact O-N 3.34Å
799	Q	22.6	Very low	25	Very low	188 Å²	188	168.6 Å²	168.6	88%	0.879	81%	0.813	S	S	*	*			trans	-55.3	118.9	149	-74.6	166.9	-52.2	0	0	107.7
800	Y	26.1	Very low	24.9	Very low	197 Å²	197	166.7 Å²	166.7	77%	0.773	81%	0.811	S	S	*	*			trans	-96.7	100.5	167.5	-86.2	-83.8	0	0	0	108.9	H798	H798-Y800 HydrophobicContact CB-CD2 4.15Å; H798-Y800 HydrophobicContact CB-CE2 3.86Å; H798-Y800 PolarHBondContact O-N 3.34Å
801	N	19.6	Very low	24.6	Very low	145 Å²	145	167 Å²	167	78%	0.775	81%	0.812	S	S	*	*			trans	-80.5	132.4	154.8	-83.4	-20.4	0	0	0	108.4
802	Y	24.3	Very low	24.3	Very low	215 Å²	215	167.8 Å²	167.8	84%	0.843	81%	0.812	S	S	*	*			trans	-172.3	152.5	153.4	-96.8	-73.7	0	0	0	108.8
803	P	28.7	Very low	24.4	Very low	111 Å²	111	166.6 Å²	166.6	72%	0.721	81%	0.81	S	S	*	*				-130	154.7	-52.7	29.1	-11	0	0	0	113.6
804	I	20.5	Very low	24.3	Very low	161 Å²	161	163.8 Å²	163.8	83%	0.826	80%	0.801	S	S	*	*			trans	-76.6	116.9	164.1	-66.3	160.8	0	0	0	108.4
805	H	23	Very low	24.1	Very low	179 Å²	179	160.8 Å²	160.8	83%	0.829	80%	0.801	S	S	*	*			trans	-168.7	102.7	152.3	-107.2	-71.6	0	0	0	110.5
806	Q	26.2	Very low	24	Very low	185 Å²	185	158.7 Å²	158.7	86%	0.864	79%	0.791	S	S	*	*			trans	-173.4	123.5	133.4	-100.8	167.8	13.4	0	0	110.5
807	S	25.7	Very low	23.9	Very low	99 Å²	99	159.2 Å²	159.2	69%	0.692	79%	0.793	S	S	*	*			trans	51.4	109.6	158.8	52.5	0	0	0	0	118
808	K	23.5	Very low	24	Very low	211 Å²	211	158.5 Å²	158.5	92%	0.917	79%	0.789	S	S	*	*				36.3	65.5	51.1	-88.8	-168	-179.4	-177.5	0	112.9
809	Q	24.9	Very low	23.8	Very low	177 Å²	177	161.1 Å²	161.1	83%	0.827	80%	0.798	S	S	*	*			trans	-175.5	81.1	148.4	-105.6	176	1.6	0	0	108.4
810	L	24.9	Very low	23.9	Very low	161 Å²	161	160.6 Å²	160.6	84%	0.843	79%	0.793	S	S	*	*			trans	-174.2	45.1	148.8	-122	83.7	0	0	0	109.4
811	H	23.6	Very low	23.8	Very low	192 Å²	192	157.1 Å²	157.1	89%	0.889	79%	0.792	S	S	*	*			trans	-91.2	134.5	152.8	-95.6	-70.7	0	0	0	105.5
812	E	23.8	Very low	24	Very low	191 Å²	191	156.3 Å²	156.3	89%	0.893	79%	0.792	S	S	*	*			trans	89.1	57	-178	-53.6	-177.9	173.1	0	0	116.2
813	I	24.6	Very low	23.9	Very low	146 Å²	146	152.9 Å²	152.9	75%	0.749	79%	0.789	S	S	*	*	S	Bend	trans	-118.1	117.2	134.3	-62.8	179.6	0	0	0	107.5
814	S	23.3	Very low	23.8	Very low	83 Å²	83	152.7 Å²	152.7	58%	0.58	79%	0.79	S	S	*	*			trans	-31.7	126.4	-177	54.6	0	0	0	0	116.4	S816	S814-S816 PolarHBondContact O-N 3.37Å
815	T	23.4	Very low	24	Very low	145 Å²	145	152.3 Å²	152.3	89%	0.89	79%	0.79	S	S	*	*	S	Bend	trans	-38	91	136.6	47.9	0	0	0	0	112.6
816	S	22.3	Very low	24.3	Very low	77 Å²	77	151.1 Å²	151.1	54%	0.538	79%	0.788	S	S	.	*			trans	-176.1	35.8	160.3	55.2	0	0	0	0	116	S814	S814-S816 PolarHBondContact O-N 3.37Å
817	H	23.5	Very low	24.2	Very low	178 Å²	178	147.3 Å²	147.3	82%	0.824	78%	0.779	S	S	*	*	S	Bend	trans	-140.1	123.3	161.9	-78.6	-66.7	0	0	0	113.5
818	L	24.5	Very low	24.3	Very low	130 Å²	130	151.4 Å²	151.4	68%	0.681	79%	0.789	S	S	*	*			trans	77.5	82.4	166.3	-87.7	68.1	0	0	0	118.2	F820	L818-F820 HydrophobicContact CB-CD2 4.18Å; L818-F820 HydrophobicContact CD2-CD2 3.51Å; L818-F820 HydrophobicContact CD2-CE2 3.57Å; L818-F820 HydrophobicContact CG-CD2 3.73Å; L818-F820 HydrophobicContact CG-CE2 3.92Å; L818-F820 PolarHBondContact O-N 3.39Å; L818-F820 VanDerWaalsContact O-N 3.09Å
819	K	21.4	Very low	24.4	Very low	213 Å²	213	147.7 Å²	147.7	93%	0.926	78%	0.778	S	S	*	*			trans	-50.7	101.2	132.4	-76.3	174.9	174.3	175.8	0	108.6
820	F	24.4	Very low	24.6	Very low	177 Å²	177	144 Å²	144	78%	0.776	77%	0.765	S	S	*	*			trans	-113.9	119.2	152.7	-101.4	-88.6	0	0	0	109.1	L818	L818-F820 HydrophobicContact CB-CD2 4.18Å; L818-F820 HydrophobicContact CD2-CD2 3.51Å; L818-F820 HydrophobicContact CD2-CE2 3.57Å; L818-F820 HydrophobicContact CG-CD2 3.73Å; L818-F820 HydrophobicContact CG-CE2 3.92Å; L818-F820 PolarHBondContact O-N 3.39Å; L818-F820 VanDerWaalsContact O-N 3.09Å
821	V	24.1	Very low	24.9	Very low	123 Å²	123	142.3 Å²	142.3	75%	0.745	76%	0.756	S	S	*	*			trans	-33.8	126.7	178.2	173.4	0	0	0	0	114	N823	V821-N823 PolarHBondContact O-N 2.9Å; V821-N823 VanDerWaalsContact O-N 3.1Å
822	T	23.3	Very low	25.3	Very low	128 Å²	128	142.2 Å²	142.2	79%	0.785	75%	0.748	S	S	*	*			trans	-51.3	102.6	153.2	46.9	0	0	0	0	109.9
823	N	22.1	Very low	25.6	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	74%	0.744	S	S	*	*			trans	-171.3	79.9	153.1	-97.4	-9.1	0	0	0	108.9	V821	V821-N823 PolarHBondContact O-N 2.9Å; V821-N823 VanDerWaalsContact O-N 3.1Å
824	S	26	Very low	25.8	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	74%	0.736	S	S	*	*			trans	-136.3	98.1	146.6	52.2	0	0	0	0	107.2	I826	S824-I826 VanDerWaalsContact C-N 3.34Å; S824-I826 PolarHBondContact O-N 3.39Å
825	N	26.4	Very low	26.2	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	74%	0.744	S	S	*	*			trans	-54.8	103.6	161.6	-73.5	-24.1	0	0	0	106.8	P827	N825-P827 VanDerWaalsContact O-CD 3.23Å; N825-P827 WeakPolarHBondContact O-CD 3.39Å
826	I	27.7	Very low	26.4	Very low	153 Å²	153	142.4 Å²	142.4	79%	0.785	74%	0.743	S	S	*	*			trans	-66.2	111.7	162.8	-61.5	169	0	0	0	104.6	S824 M828	S824-I826 VanDerWaalsContact C-N 3.34Å; S824-I826 PolarHBondContact O-N 3.39Å; I826-M828 PolarHBondContact O-N 2.83Å
827	P	24.2	Very low	26.7	Very low	105 Å²	105	143.3 Å²	143.3	68%	0.682	75%	0.749	S	S	*	*			trans	-70.9	110.7	-178.6	28	-28.7	0	0	0	107.7	N825 I829	N825-P827 VanDerWaalsContact O-CD 3.23Å; N825-P827 WeakPolarHBondContact O-CD 3.39Å; P827-I829 PolarHBondContact O-N 3.22Å; P827-I829 VanDerWaalsContact O-N 3.09Å
828	M	27.7	Very low	27	Very low	185 Å²	185	140.7 Å²	140.7	91%	0.911	75%	0.747	S	S	*	*			trans	-61.5	109.1	156.6	-78.4	-154.8	89.2	0	0	106.7	I826 D830	I826-M828 PolarHBondContact O-N 2.83Å; M828-D830 PolarHBondContact O-N 2.89Å
829	I	26.7	Very low	27.2	Very low	133 Å²	133	142 Å²	142	68%	0.682	75%	0.754	S	S	*	*			trans	-66.2	106	174.1	-66.1	166.9	0	0	0	107.1	P827 N831	P827-I829 PolarHBondContact O-N 3.22Å; P827-I829 VanDerWaalsContact O-N 3.09Å; I829-N831 PolarHBondContact O-N 2.78Å
830	D	29	Very low	27.4	Very low	101 Å²	101	139.1 Å²	139.1	54%	0.54	75%	0.749	S	S	.	*			trans	-65.4	120.7	169.3	-170.7	-2.5	0	0	0	108.1	M828 R832 D833	M828-D830 PolarHBondContact O-N 2.89Å; D830-R832 PolarHBondContact O-N 3.27Å; D830-D833 PolarHBondContact O-N 3.21Å
831	N	31.7	Very low	27.5	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	12.5	-174.6	-82.4	-36.2	0	0	0	114	I829	I829-N831 PolarHBondContact O-N 2.78Å
832	R	31.6	Very low	27.6	Very low	190 Å²	190	140.2 Å²	140.2	72%	0.717	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-24	174.3	-70.2	179.3	174.2	174.9	0.2	113	D830 L834	D830-R832 PolarHBondContact O-N 3.27Å; R832-L834 VanDerWaalsContact C-N 3.33Å; R832-L834 PolarHBondContact O-N 3.25Å
833	D	29.5	Very low	27.7	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	3.1	-179.2	-66.9	-21.6	0	0	0	114.2	D830	D830-D833 PolarHBondContact O-N 3.21Å
834	L	29.5	Very low	27.9	Very low	111 Å²	111	139.6 Å²	139.6	58%	0.581	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-1.9	173.2	-94.1	152.3	0	0	0	113.6	R832 L836	R832-L834 VanDerWaalsContact C-N 3.33Å; R832-L834 PolarHBondContact O-N 3.25Å; L834-L836 PolarHBondContact O-N 3.29Å
835	L	30.7	Very low	28	Very low	142 Å²	142	139.7 Å²	139.7	74%	0.743	76%	0.755	S	S	*	*	S	Bend	trans	-76.9	110.2	163.2	-70.3	168.9	0	0	0	107.2	S837	L835-S837 PolarHBondContact O-N 2.86Å
836	L	28.5	Very low	27.9	Very low	165 Å²	165	143.1 Å²	143.1	86%	0.864	76%	0.758	S	S	*	*			trans	-34.5	113.9	168.4	-83	155.1	0	0	0	109.7	L834	L834-L836 PolarHBondContact O-N 3.29Å
837	S	27.6	Very low	27.7	Very low	95 Å²	95	144.9 Å²	144.9	66%	0.664	76%	0.762	S	S	*	*			trans	-50.2	130.3	172.3	44.4	0	0	0	0	108.7	L835 L839	L835-S837 PolarHBondContact O-N 2.86Å; S837-L839 PolarHBondContact O-N 3.17Å
838	P	30.6	Very low	28	Very low	123 Å²	123	144.7 Å²	144.7	80%	0.799	76%	0.764	S	S	*	*			trans	-63.3	115.5	-179.3	23.3	-29.4	0	0	0	108.2	N840	P838-N840 PolarHBondContact O-N 3.2Å
839	L	29.4	Very low	27.9	Very low	157 Å²	157	144.6 Å²	144.6	82%	0.822	76%	0.761	S	S	*	*			trans	-50.4	131.4	172.8	-99.8	83.8	0	0	0	109.6	S837 N841	S837-L839 PolarHBondContact O-N 3.17Å; L839-N841 PolarHBondContact O-N 3.1Å
840	N	24.7	Very low	27.8	Very low	153 Å²	153	144 Å²	144	82%	0.818	76%	0.764	S	S	*	*			trans	-36.8	96.2	170.4	-75.2	-15.6	0	0	0	112.5	P838 L842	P838-N840 PolarHBondContact O-N 3.2Å; N840-L842 PolarHBondContact O-N 2.87Å
841	N	26.7	Very low	27.7	Very low	151 Å²	151	147.3 Å²	147.3	81%	0.807	78%	0.78	S	S	*	*			trans	-78.7	99.8	150.2	-82.1	-15.1	0	0	0	105.9	L839 S843	L839-N841 PolarHBondContact O-N 3.1Å; N841-S843 PolarHBondContact O-N 3.09Å
842	L	26.7	Very low	27.5	Very low	172 Å²	172	147.9 Å²	147.9	90%	0.901	79%	0.787	S	S	*	*			trans	-53.5	92.8	156.2	-89	137.4	0	0	0	107.1	N840	N840-L842 PolarHBondContact O-N 2.87Å
843	S	25.6	Very low	27.1	Very low	105 Å²	105	148 Å²	148	73%	0.734	80%	0.796	S	S	*	*			trans	-83.8	112.6	171.2	33.2	0	0	0	0	106.5	N841	N841-S843 PolarHBondContact O-N 3.09Å
844	I	26.2	Very low	27	Very low	155 Å²	155	146.7 Å²	146.7	80%	0.795	79%	0.793	S	S	*	*			trans	-67.7	133.1	162.8	-64.2	169.5	0	0	0	106.3
845	P	27.1	Very low	26.8	Very low	109 Å²	109	150 Å²	150	71%	0.708	81%	0.808	S	S	*	*			trans	-79.5	136.5	-162.9	31.7	-33.4	0	0	0	111
846	Y	25.3	Very low	26.5	Very low	224 Å²	224	150.7 Å²	150.7	88%	0.878	81%	0.813	S	S	*	*			trans	-126.6	106.5	159.4	-107.3	-87.1	0	0	0	108.5
847	E	22.8	Very low	26.6	Very low	190 Å²	190	149 Å²	149	89%	0.888	81%	0.809	S	S	*	*			trans	-69.2	122.7	163.3	-70.2	176	142.8	0	0	109.5
848	S	30.6	Very low	26.5	Very low	102 Å²	102	151.4 Å²	151.4	71%	0.713	82%	0.815	S	S	*	*			trans	-163.3	94.2	147.8	42.9	0	0	0	0	106.3
849	Q	26.2	Very low	26.4	Very low	182 Å²	182	154.8 Å²	154.8	85%	0.85	82%	0.817	S	S	*	*				57.1	101.8	104.5	-77.4	-174.1	-8.4	0	0	114.6
850	T	24.7	Very low	26.3	Very low	121 Å²	121	154.2 Å²	154.2	74%	0.742	82%	0.815	S	S	*	*				39.2	114.2	126.8	52.4	0	0	0	0	117.8
851	I	26	Very low	26.5	Very low	170 Å²	170	153.6 Å²	153.6	87%	0.872	81%	0.811	S	S	*	*				-166.2	148.2	129.9	-88	142.7	0	0	0	107.3
852	V	26.9	Very low	26.5	Very low	136 Å²	136	153 Å²	153	82%	0.824	81%	0.808	S	S	*	*			trans	93.5	59	-179.6	-154.3	0	0	0	0	116.4
853	E	23	Very low	26.6	Very low	193 Å²	193	152 Å²	152	90%	0.902	80%	0.803	S	S	*	*			trans	-129	85.8	144.6	-104.3	-170.4	168.8	0	0	108.2
854	V	28	Very low	26.5	Very low	124 Å²	124	156.3 Å²	156.3	75%	0.752	81%	0.81	S	S	*	*			trans	-152.5	77.2	155.2	-169.7	0	0	0	0	108.9
855	M	24.9	Very low	26.8	Very low	182 Å²	182	160.2 Å²	160.2	90%	0.897	83%	0.829	S	S	*	*	S	Bend	trans	-147	69.6	153.4	-80.7	-162.3	179	0	0	107.6
856	N	25.6	Very low	26.8	Very low	156 Å²	156	162.8 Å²	162.8	83%	0.834	84%	0.835	S	S	*	*			trans	-173.2	69.9	159.2	-96.2	-17.3	0	0	0	110.1
857	T	30	Very low	26.9	Very low	130 Å²	130	159.5 Å²	159.5	80%	0.798	83%	0.833	S	S	*	*			trans	-110.6	88.8	158.5	41.5	0	0	0	0	108.9	K859	T857-K859 PolarHBondContact O-N 2.97Å
858	N	25.8	Very low	27.1	Very low	145 Å²	145	157.8 Å²	157.8	78%	0.775	83%	0.83	S	S	*	*			trans	-45.9	128.3	149	-80.3	-32.6	0	0	0	110
859	K	28.6	Very low	26.9	Very low	194 Å²	194	161.1 Å²	161.1	84%	0.843	84%	0.837	S	S	*	*				170.9	115.4	122.9	-95.3	170.2	179.9	-180	0	110.9	T857	T857-K859 PolarHBondContact O-N 2.97Å
860	N	26.9	Very low	26.9	Very low	145 Å²	145	159.8 Å²	159.8	78%	0.775	84%	0.836	S	S	*	*				30.9	132.8	125.8	-72.8	-1.4	0	0	0	120.1
861	N	29.6	Very low	27.1	Very low	139 Å²	139	162.4 Å²	162.4	74%	0.743	84%	0.842	S	S	*	*			trans	102.9	102	148.5	-65.8	-8.4	0	0	0	117
862	N	25.6	Very low	27.2	Very low	139 Å²	139	161.9 Å²	161.9	74%	0.743	84%	0.84	S	S	*	*				28.4	108.7	112.5	-68.8	-1.7	0	0	0	116.1
863	N	29.6	Very low	27.2	Very low	150 Å²	150	163.8 Å²	163.8	80%	0.802	84%	0.841	S	S	*	*				177.4	142.9	103.7	-91.5	-19.4	0	0	0	111.3
864	F	23.7	Very low	27.5	Very low	197 Å²	197	161.4 Å²	161.4	86%	0.864	84%	0.836	S	S	*	*			trans	-27.8	146.8	157.1	-74.4	-98.6	0	0	0	113.6
865	I	32.3	Very low	27.5	Very low	236 Å²	236	164.8 Å²	164.8	100%	1.21	84%	0.844	S	S	*	*				-146.3	0	56.6	-75	163.2	0	0	0	110.2

Retrieved 865 of 865 residues in 673 ms (Link to these results)

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