A0A077ZAT4_TRITR Loading...

HEGF and CUB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 901 aa.

						>A0A077ZAT4_TRITR|A0A077ZAT4
MHTFQAHEKCLDKRCPTNSACVVTPRDELQCICDSNSVGPNCEVINLCKHVKCDNGGLCQMKMGGFSCICPPEFTGNSFIDVNECLSSPCNNNGLCVNGNEGSTVHHEIIDTEAVIRANSSMKIAQWSLLSKDATLTHVTVEIVFLNLSRNQTIRISEGNKNYCMESEDLAVLRFGAKHPQKVTSYGSSLVITFLNNENILSEPAEVFMFSIRWNRCPPGLYGPSCAYKSADEFANCTRTEVSAEQSVHSLNFPQKYPANIQCTWTFETPDQDQVFLITMKTADIDCPADYLQLDLGMNESVKICEESQTTYFSRGKQVSFTFSSDGFNERRGFDAHIKAVMDKCKNFPCPNNSVCKNVNNGVAECTCPHGYTGQNCETMDASFDEDYLEILGSNGSQLMLFELSKYSGNTMETSFFLKDSKVSILLHSGYNGNGARRFRFKFYNSFDYCSAYPCMNDGVCQNNLHTSSVHVLILTGIAIIVVIMPVMFKLRMRETILMQKGDNYFAFSPVPVRLAFQIFGVKNLLVPIKGNVYMMQMARSVTVILDLPEQPVNKGASCSWNFTVSSDSCVHLLLDFVDLKSNYADYKLCDPERLDIYYLDTSNGEKHLIRSLCDEDVQIEIVSPSNNLIIDYKTIEDADYEHLGFLARYQIDINDCTADKCGGNTVCVDAFNSSYKCVCKPGFTGSKCETKYSACSHFKPCKFGECIDVSDTFNCICEAGYTVPSICNTYACNTGTCQVLSSGDPICQCPEGVFGEHCEIKPEIKCNGRLTNPTDSFVLSTGNSSEDTVCGLEISPDAIDRLGKKKIYLRILFSTLQPSECNENYLEINAVSFHSLIYPCHDRTLPGETGWFSSPNYPNDYPHDINCSWTISTPGKPAEVVFDFIDLEGKYPQCTSDYIE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	51.5	Low	235 Å²	235	136.8 Å²	136.8	100%	1.158	69%	0.687	S	S	*	*				0	-7.5	0	-81.8	179.7	167.6	0	0	114.7
2	H	40.2	Very low	52.9	Low	173 Å²	173	138.6 Å²	138.6	80%	0.801	70%	0.7	S	S	*	*			trans	-91.6	-9.3	-176.9	-75.7	-76.4	0	0	0	116.4	F4	H2-F4 PolarHBondContact O-N 2.74Å
3	T	40.7	Very low	53.8	Low	130 Å²	130	131.9 Å²	131.9	80%	0.798	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-6.7	-168.6	33.5	0	0	0	0	116.3
4	F	42.2	Very low	54.7	Low	192 Å²	192	139.2 Å²	139.2	84%	0.842	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-9.7	-174	-100.9	-92.2	0	0	0	115.9	H2	H2-F4 PolarHBondContact O-N 2.74Å
5	Q	46.7	Very low	55.8	Low	143 Å²	143	131.9 Å²	131.9	67%	0.668	65%	0.648	S	S	*	*	S	Bend	trans	-93.2	-11.9	-175.6	-83.2	-175.3	-50	0	0	115.5	H7	Q5-H7 VanDerWaalsContact C-N 3.33Å; Q5-H7 PolarHBondContact O-N 2.63Å
6	A	47.5	Very low	56.6	Low	62 Å²	62	127.2 Å²	127.2	51%	0.512	63%	0.63	S	S	.	*	H	α-helix	trans	-70.3	-29.1	-177.1	0	0	0	0	0	113.3
7	H	52.1	Low	56.7	Low	162 Å²	162	127.1 Å²	127.1	75%	0.75	64%	0.638	S	S	*	*	H	α-helix	trans	-78.1	-26.3	-167.2	-152	-38.2	0	0	0	114.2	Q5	Q5-H7 VanDerWaalsContact C-N 3.33Å; Q5-H7 PolarHBondContact O-N 2.63Å
8	E	62.9	Low	57	Low	147 Å²	147	122.6 Å²	122.6	69%	0.687	62%	0.617	S	S	*	*	H	α-helix	trans	-72	-36.7	178.9	-72.4	-174	126	0	0	112.5	C10 L11	E8-C10 VanDerWaalsContact C-N 3.33Å; E8-C10 PolarHBondContact O-N 2.89Å; E8-L11 PolarHBondContact O-N 2.84Å
9	K	63.9	Low	57.5	Low	84 Å²	84	116.8 Å²	116.8	37%	0.365	59%	0.589	S	S	.	*	H	α-helix	trans	-70.6	-25.7	-170.6	-62.5	-168.9	176.8	-171.6	0	114.3	L11 V23 D27 L29	K9-L11 VanDerWaalsContact C-N 3.34Å; K9-V23 HydrophobicContact CB-CG2 4.08Å; K9-V23 HydrophobicContact CD-CG2 4.39Å; K9-D27 IonicContact NZ-OD1 2.72Å; K9-D27 PolarHBondContact NZ-OD1 2.99Å; K9-D27 IonicContact NZ-OD2 2.64Å; K9-D27 PolarHBondContact NZ-OD2 2.89Å; K9-L29 HydrophobicContact CB-CD2 4.02Å; K9-L29 WeakPolarHBondContact O-CD1 3.31Å; K9-L29 WeakPolarHBondContact O-CD2 3.49Å
10	C	68.2	Low	58.5	Low	35 Å²	35	113.7 Å²	113.7	24%	0.236	58%	0.581	C	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	0.3	179.5	-82.9	0	0	0	0	114.6	E8 D12 C21	E8-C10 VanDerWaalsContact C-N 3.33Å; E8-C10 PolarHBondContact O-N 2.89Å; C10-D12 VanDerWaalsContact C-N 3.35Å; C10-D12 PolarHBondContact O-N 2.84Å; C10-C21 VanDerWaalsContact CA-SG 3.58Å; C10-C21 HydrophobicContact CB-CB 3.73Å; C10-C21 WeakPolarHBondContact CB-SG 3.13Å; C10-C21 VanDerWaalsContact SG-C 3.5Å; C10-C21 WeakPolarHBondContact SG-CB 3.09Å; C10-C21 CovalentContact SG-SG 2.05Å; C10-C21 PolarHBondContact SG-SG 2.99Å
11	L	66.1	Low	59.6	Low	142 Å²	142	110 Å²	110	74%	0.743	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-29.8	-178.4	-82.7	161.5	0	0	0	114.3	E8 K9	E8-L11 PolarHBondContact O-N 2.84Å; K9-L11 VanDerWaalsContact C-N 3.34Å
12	D	67.3	Low	61.7	Low	158 Å²	158	101.4 Å²	101.4	85%	0.845	53%	0.526	S	S	*	.	S	Bend	trans	-96.6	-18.5	-177.2	-103.9	-32	0	0	0	114.4	C10 R14	C10-D12 VanDerWaalsContact C-N 3.35Å; C10-D12 PolarHBondContact O-N 2.84Å; D12-R14 PolarHBondContact O-N 3.34Å
13	K	65.1	Low	63.4	Low	52 Å²	52	95.1 Å²	95.1	23%	0.226	50%	0.5	C	S	.	.			trans	-87.7	103.6	-172.7	-171.7	162	178.6	167.1	0	112.4	C15 L29 C31 P40 N41	K13-C15 PolarHBondContact O-N 3.37Å; K13-L29 HydrophobicContact CD-CB 3.81Å; K13-L29 PolarHBondContact NZ-O 2.84Å; K13-C31 VanDerWaalsContact CE-SG 3.56Å; K13-P40 PolarHBondContact NZ-O 3.29Å; K13-N41 WeakPolarHBondContact CE-OD1 3.5Å; K13-N41 PolarHBondContact NZ-OD1 3.18Å
14	R	66.9	Low	64.6	Low	234 Å²	234	90 Å²	90	88%	0.883	47%	0.469	S	S	*	.			trans	-73.3	88.2	173.5	-63.6	-173.9	-175.6	-165.8	0.9	112.3	D12	D12-R14 PolarHBondContact O-N 3.34Å
15	C	70.8	Confident	66	Low	30 Å²	30	87.9 Å²	87.9	20%	0.203	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-75	146.4	159.7	-54.7	0	0	0	0	110	K13 S19 C31	K13-C15 PolarHBondContact O-N 3.37Å; C15-S19 WeakPolarHBondContact CB-OG 3.28Å; C15-C31 VanDerWaalsContact CA-SG 3.52Å; C15-C31 HydrophobicContact CB-CB 3.76Å; C15-C31 WeakPolarHBondContact CB-SG 3.39Å; C15-C31 WeakPolarHBondContact SG-CB 3.42Å; C15-C31 CovalentContact SG-SG 2.04Å; C15-C31 PolarHBondContact SG-SG 3.12Å
16	P	68.5	Low	67.4	Low	56 Å²	56	90.8 Å²	90.8	36%	0.364	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-68.3	170	179.7	26.9	-34.3	0	0	0	113.3	N18 S19 N41 C42	P16-N18 PolarHBondContact O-N 3.38Å; P16-S19 VanDerWaalsContact CD-OG 3.23Å; P16-S19 WeakPolarHBondContact CD-OG 3.46Å; P16-S19 PolarHBondContact O-N 3.17Å; P16-S19 PolarHBondContact O-OG 2.92Å; P16-N41 WeakPolarHBondContact CD-O 3.31Å; P16-C42 HydrophobicContact CG-CB 3.66Å
17	T	58.6	Low	68.5	Low	125 Å²	125	92.8 Å²	92.8	77%	0.767	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	141	175.3	36.8	0	0	0	0	111.9	S19	T17-S19 PolarHBondContact O-N 3.42Å
18	N	61.4	Low	69.5	Low	47 Å²	47	90.3 Å²	90.3	25%	0.251	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	1.8	-176	-66.5	4.2	0	0	0	118.1	P16 D34 S687 E690	P16-N18 PolarHBondContact O-N 3.38Å; N18-D34 HydrophobicContact CB-CB 4.15Å; N18-S687 WeakPolarHBondContact CB-OG 3.46Å; N18-S687 PolarHBondContact O-OG 3.09Å; N18-E690 PolarHBondContact ND2-OE1 3.35Å
19	S	67	Low	70	Confident	13 Å²	13	86.4 Å²	86.4	9%	0.091	45%	0.453	C	S	.	.			trans	-101.1	161.7	168.6	68.8	0	0	0	0	112.9	C15 P16 T17 I32	C15-S19 WeakPolarHBondContact CB-OG 3.28Å; P16-S19 VanDerWaalsContact CD-OG 3.23Å; P16-S19 WeakPolarHBondContact CD-OG 3.46Å; P16-S19 PolarHBondContact O-N 3.17Å; P16-S19 PolarHBondContact O-OG 2.92Å; T17-S19 PolarHBondContact O-N 3.42Å; S19-I32 CarbonylContact C-O 3.43Å; S19-I32 WeakPolarHBondContact CA-O 3.44Å; S19-I32 WeakPolarHBondContact CB-O 3.31Å
20	A	77.1	Confident	70.6	Confident	53 Å²	53	87.1 Å²	87.1	44%	0.438	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.7	-175.3	0	0	0	0	0	113	C31 I32	A20-C31 CarbonylContact O-C 3.56Å; A20-C31 WeakPolarHBondContact O-CA 3.36Å; A20-I32 PolarHBondContact N-O 3.46Å; A20-I32 PolarHBondContact O-N 2.79Å
21	C	81.4	Confident	71.2	Confident	37 Å²	37	85.6 Å²	85.6	25%	0.25	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.7	178.1	178.2	0	0	0	0	111.8	C10	C10-C21 VanDerWaalsContact CA-SG 3.58Å; C10-C21 HydrophobicContact CB-CB 3.73Å; C10-C21 WeakPolarHBondContact CB-SG 3.13Å; C10-C21 VanDerWaalsContact SG-C 3.5Å; C10-C21 WeakPolarHBondContact SG-CB 3.09Å; C10-C21 CovalentContact SG-SG 2.05Å; C10-C21 PolarHBondContact SG-SG 2.99Å
22	V	80.7	Confident	71.7	Confident	54 Å²	54	83.5 Å²	83.5	33%	0.327	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.3	171.7	-66.5	0	0	0	0	112	Q30 I32	V22-Q30 HydrophobicContact CG2-CB 4.42Å; V22-Q30 PolarHBondContact N-O 2.86Å; V22-Q30 PolarHBondContact O-N 3.26Å; V22-I32 HydrophobicContact CB-CD1 4.47Å; V22-I32 HydrophobicContact CG1-CD1 3.55Å; V22-I32 HydrophobicContact CG1-CG1 4.14Å; V22-I32 HydrophobicContact CG2-CD1 4.07Å; V22-I32 HydrophobicContact CG2-CG1 3.89Å
23	V	75.6	Confident	72.1	Confident	42 Å²	42	77.7 Å²	77.7	26%	0.255	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.1	170	-176.3	0	0	0	0	108.4	K9 E28 L29	K9-V23 HydrophobicContact CB-CG2 4.08Å; K9-V23 HydrophobicContact CD-CG2 4.39Å; V23-E28 CarbonylContact C-O 3.54Å; V23-E28 WeakPolarHBondContact CA-O 3.01Å; V23-L29 HydrophobicContact CG2-CD2 3.92Å
24	T	66.5	Low	72.3	Confident	23 Å²	23	77.1 Å²	77.1	14%	0.141	41%	0.407	C	S	.	.			trans	-75.5	165	179.7	75	0	0	0	0	111.5	R26 D27 E28 Q30	T24-R26 PolarHBondContact O-N 2.63Å; T24-R26 PolarHBondContact OG1-N 2.91Å; T24-R26 VanDerWaalsContact OG1-N 3.16Å; T24-D27 PolarHBondContact O-N 3.09Å; T24-E28 HydrophobicContact CG2-CB 4.22Å; T24-E28 PolarHBondContact N-O 2.82Å; T24-E28 WeakPolarHBondContact OG1-CB 3.35Å; T24-E28 PolarHBondContact OG1-N 3.22Å; T24-Q30 HydrophobicContact CG2-CB 4.16Å
25	P	71.2	Confident	72.1	Confident	146 Å²	146	69.8 Å²	69.8	95%	0.948	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-4.6	169.4	-24.6	35.5	0	0	0	115.2
26	R	76.5	Confident	71.8	Confident	205 Å²	205	72.1 Å²	72.1	77%	0.774	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	9.5	172.9	-61.7	-175.7	-179.9	-173.5	0.9	113.2	T24 E28	T24-R26 PolarHBondContact O-N 2.63Å; T24-R26 PolarHBondContact OG1-N 2.91Å; T24-R26 VanDerWaalsContact OG1-N 3.16Å; R26-E28 HydrophobicContact CB-CG 4.13Å; R26-E28 PolarHBondContact O-N 2.86Å
27	D	71.4	Confident	71.9	Confident	104 Å²	104	70.1 Å²	70.1	56%	0.556	39%	0.389	S	S	*	.	S	Bend	trans	68.9	18.8	180	-143.2	23	0	0	0	114.3	K9 T24	K9-D27 IonicContact NZ-OD1 2.72Å; K9-D27 PolarHBondContact NZ-OD1 2.99Å; K9-D27 IonicContact NZ-OD2 2.64Å; K9-D27 PolarHBondContact NZ-OD2 2.89Å; T24-D27 PolarHBondContact O-N 3.09Å
28	E	72.6	Confident	72.4	Confident	110 Å²	110	66.8 Å²	66.8	51%	0.514	37%	0.369	S	S	.	.			trans	-90.9	153.7	178	-56.4	164.5	149.2	0	0	111.2	V23 T24 R26	V23-E28 CarbonylContact C-O 3.54Å; V23-E28 WeakPolarHBondContact CA-O 3.01Å; T24-E28 HydrophobicContact CG2-CB 4.22Å; T24-E28 PolarHBondContact N-O 2.82Å; T24-E28 WeakPolarHBondContact OG1-CB 3.35Å; T24-E28 PolarHBondContact OG1-N 3.22Å; R26-E28 HydrophobicContact CB-CG 4.13Å; R26-E28 PolarHBondContact O-N 2.86Å
29	L	73.3	Confident	72.7	Confident	64 Å²	64	66 Å²	66	34%	0.335	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.8	-179.3	-74.8	162.8	0	0	0	112.4	K9 K13 V23	K9-L29 HydrophobicContact CB-CD2 4.02Å; K9-L29 WeakPolarHBondContact O-CD1 3.31Å; K9-L29 WeakPolarHBondContact O-CD2 3.49Å; K13-L29 HydrophobicContact CD-CB 3.81Å; K13-L29 PolarHBondContact NZ-O 2.84Å; V23-L29 HydrophobicContact CG2-CD2 3.92Å
30	Q	76	Confident	72.8	Confident	99 Å²	99	69 Å²	69	46%	0.463	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147	-176.7	-170.4	172	-1	0	0	112.1	V22 T24	V22-Q30 HydrophobicContact CG2-CB 4.42Å; V22-Q30 PolarHBondContact N-O 2.86Å; V22-Q30 PolarHBondContact O-N 3.26Å; T24-Q30 HydrophobicContact CG2-CB 4.16Å
31	C	80.8	Confident	72.7	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.02	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.6	171	-57.5	0	0	0	0	110.4	K13 C15 A20 P40	K13-C31 VanDerWaalsContact CE-SG 3.56Å; C15-C31 VanDerWaalsContact CA-SG 3.52Å; C15-C31 HydrophobicContact CB-CB 3.76Å; C15-C31 WeakPolarHBondContact CB-SG 3.39Å; C15-C31 WeakPolarHBondContact SG-CB 3.42Å; C15-C31 CovalentContact SG-SG 2.04Å; C15-C31 PolarHBondContact SG-SG 3.12Å; A20-C31 CarbonylContact O-C 3.56Å; A20-C31 WeakPolarHBondContact O-CA 3.36Å; C31-P40 PolarHBondContact N-O 3.03Å
32	I	77.8	Confident	72.4	Confident	98 Å²	98	68.4 Å²	68.4	50%	0.503	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.8	165.6	-60.5	179.5	0	0	0	107.3	S19 A20 V22	S19-I32 CarbonylContact C-O 3.43Å; S19-I32 WeakPolarHBondContact CA-O 3.44Å; S19-I32 WeakPolarHBondContact CB-O 3.31Å; A20-I32 PolarHBondContact N-O 3.46Å; A20-I32 PolarHBondContact O-N 2.79Å; V22-I32 HydrophobicContact CB-CD1 4.47Å; V22-I32 HydrophobicContact CG1-CD1 3.55Å; V22-I32 HydrophobicContact CG1-CG1 4.14Å; V22-I32 HydrophobicContact CG2-CD1 4.07Å; V22-I32 HydrophobicContact CG2-CG1 3.89Å
33	C	74.4	Confident	72.2	Confident	37 Å²	37	70.9 Å²	70.9	25%	0.25	39%	0.386	C	S	.	.			trans	-83.4	153.5	-174	-53.9	0	0	0	0	113.2	S37 G39 C42	C33-S37 WeakPolarHBondContact CB-O 3.39Å; C33-S37 WeakPolarHBondContact CB-OG 3.33Å; C33-G39 PolarHBondContact SG-O 3.41Å; C33-G39 VanDerWaalsContact SG-O 3.34Å; C33-C42 WeakPolarHBondContact CA-SG 3.42Å; C33-C42 HydrophobicContact CB-CB 3.8Å; C33-C42 WeakPolarHBondContact CB-SG 3.42Å; C33-C42 WeakPolarHBondContact SG-CA 3.49Å; C33-C42 WeakPolarHBondContact SG-CB 3.37Å; C33-C42 CovalentContact SG-SG 2.04Å; C33-C42 PolarHBondContact SG-SG 3.37Å
34	D	69.2	Low	71.8	Confident	40 Å²	40	72 Å²	72	21%	0.214	39%	0.393	C	S	.	.			trans	-73.7	159.2	168.3	73	-45.2	0	0	0	110.3	N18 N36 S37	N18-D34 HydrophobicContact CB-CB 4.15Å; D34-N36 PolarHBondContact O-N 3.04Å; D34-S37 PolarHBondContact O-N 2.63Å; D34-S37 VanDerWaalsContact O-O 3.09Å; D34-S37 PolarHBondContact OD1-OG 3.23Å
35	S	63.7	Low	71.9	Confident	79 Å²	79	77 Å²	77	55%	0.552	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-15.4	-171	61.3	0	0	0	0	116.1	N46 K49	S35-N46 PolarHBondContact O-ND2 3.11Å; S35-N46 VanDerWaalsContact O-ND2 3.14Å; S35-K49 PolarHBondContact OG-NZ 2.7Å
36	N	64.3	Low	71.7	Confident	79 Å²	79	71.8 Å²	71.8	42%	0.422	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.4	177.6	-61.2	-30.3	0	0	0	113.9	D34 N46 K49	D34-N36 PolarHBondContact O-N 3.04Å; N36-N46 WeakPolarHBondContact O-CB 3.14Å; N36-N46 PolarHBondContact O-N 3.49Å; N36-K49 WeakPolarHBondContact OD1-CD 3.15Å; N36-K49 PolarHBondContact OD1-NZ 2.89Å
37	S	70.1	Confident	71.4	Confident	15 Å²	15	65.4 Å²	65.4	11%	0.105	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157	-171.2	70	0	0	0	0	113.3	C33 D34 C42 V44	C33-S37 WeakPolarHBondContact CB-O 3.39Å; C33-S37 WeakPolarHBondContact CB-OG 3.33Å; D34-S37 PolarHBondContact O-N 2.63Å; D34-S37 VanDerWaalsContact O-O 3.09Å; D34-S37 PolarHBondContact OD1-OG 3.23Å; S37-C42 WeakPolarHBondContact OG-CB 3.42Å; S37-V44 CarbonylContact C-O 3.53Å; S37-V44 WeakPolarHBondContact CA-O 3.48Å
38	V	68.7	Low	71.3	Confident	55 Å²	55	61.7 Å²	61.7	33%	0.333	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.1	177.6	-70.9	0	0	0	0	110.8	C42 E43 V44 N46	V38-C42 CarbonylContact O-C 3.59Å; V38-E43 PolarHBondContact O-N 3.25Å; V38-V44 HydrophobicContact CG2-CB 4.03Å; V38-V44 HydrophobicContact CG2-CG1 4.2Å; V38-V44 PolarHBondContact N-O 3.41Å; V38-V44 WeakPolarHBondContact O-CB 3.49Å; V38-V44 PolarHBondContact O-N 2.82Å; V38-N46 HydrophobicContact CG1-CB 4.49Å
39	G	67.5	Low	70.9	Confident	30 Å²	30	61.2 Å²	61.2	31%	0.309	34%	0.341	S	S	.	.	S	Bend	trans	118.8	164.2	-179.8	0	0	0	0	0	113.2	C33 N41 C42 E43	C33-G39 PolarHBondContact SG-O 3.41Å; C33-G39 VanDerWaalsContact SG-O 3.34Å; G39-N41 PolarHBondContact O-N 3.25Å; G39-N41 VanDerWaalsContact O-N 3.14Å; G39-C42 PolarHBondContact O-N 3.45Å; G39-E43 VanDerWaalsContact CA-OE2 3.27Å; G39-E43 WeakPolarHBondContact CA-OE2 3.43Å
40	P	69.6	Low	70.4	Confident	75 Å²	75	66 Å²	66	49%	0.487	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.3	-175.3	28.4	-36.5	0	0	0	114.6	K13 C31 E43	K13-P40 PolarHBondContact NZ-O 3.29Å; C31-P40 PolarHBondContact N-O 3.03Å; P40-E43 VanDerWaalsContact CD-OE2 3.28Å; P40-E43 WeakPolarHBondContact CD-OE2 3.1Å
41	N	76.1	Confident	69.8	Low	67 Å²	67	62.9 Å²	62.9	36%	0.358	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	17.5	171.2	-43.5	-74.1	0	0	0	111.5	K13 P16 G39 E43	K13-N41 WeakPolarHBondContact CE-OD1 3.5Å; K13-N41 PolarHBondContact NZ-OD1 3.18Å; P16-N41 WeakPolarHBondContact CD-O 3.31Å; G39-N41 PolarHBondContact O-N 3.25Å; G39-N41 VanDerWaalsContact O-N 3.14Å; N41-E43 VanDerWaalsContact C-N 3.29Å; N41-E43 VanDerWaalsContact C-OE2 3.31Å; N41-E43 WeakPolarHBondContact CA-OE2 3.22Å; N41-E43 PolarHBondContact N-OE2 3.27Å; N41-E43 PolarHBondContact ND2-OE1 2.88Å; N41-E43 PolarHBondContact O-N 2.92Å
42	C	75.2	Confident	69	Low	11 Å²	11	72.3 Å²	72.3	7%	0.074	39%	0.389	C	S	.	.	S	Bend	trans	57.5	37.5	-177.7	-48.8	0	0	0	0	114	P16 C33 S37 V38 G39	P16-C42 HydrophobicContact CG-CB 3.66Å; C33-C42 WeakPolarHBondContact CA-SG 3.42Å; C33-C42 HydrophobicContact CB-CB 3.8Å; C33-C42 WeakPolarHBondContact CB-SG 3.42Å; C33-C42 WeakPolarHBondContact SG-CA 3.49Å; C33-C42 WeakPolarHBondContact SG-CB 3.37Å; C33-C42 CovalentContact SG-SG 2.04Å; C33-C42 PolarHBondContact SG-SG 3.37Å; S37-C42 WeakPolarHBondContact OG-CB 3.42Å; V38-C42 CarbonylContact O-C 3.59Å; G39-C42 PolarHBondContact O-N 3.45Å
43	E	76.3	Confident	68.3	Low	107 Å²	107	68.4 Å²	68.4	50%	0.5	37%	0.371	S	S	.	.			trans	-86.4	-6.5	-172.7	60.7	-90.2	-104.7	0	0	115	V38 G39 P40 N41	V38-E43 PolarHBondContact O-N 3.25Å; G39-E43 VanDerWaalsContact CA-OE2 3.27Å; G39-E43 WeakPolarHBondContact CA-OE2 3.43Å; P40-E43 VanDerWaalsContact CD-OE2 3.28Å; P40-E43 WeakPolarHBondContact CD-OE2 3.1Å; N41-E43 VanDerWaalsContact C-N 3.29Å; N41-E43 VanDerWaalsContact C-OE2 3.31Å; N41-E43 WeakPolarHBondContact CA-OE2 3.22Å; N41-E43 PolarHBondContact N-OE2 3.27Å; N41-E43 PolarHBondContact ND2-OE1 2.88Å; N41-E43 PolarHBondContact O-N 2.92Å
44	V	67.4	Low	67.3	Low	66 Å²	66	72 Å²	72	40%	0.4	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.3	-178.8	-176.1	0	0	0	0	110.5	S37 V38 M61	S37-V44 CarbonylContact C-O 3.53Å; S37-V44 WeakPolarHBondContact CA-O 3.48Å; V38-V44 HydrophobicContact CG2-CB 4.03Å; V38-V44 HydrophobicContact CG2-CG1 4.2Å; V38-V44 PolarHBondContact N-O 3.41Å; V38-V44 WeakPolarHBondContact O-CB 3.49Å; V38-V44 PolarHBondContact O-N 2.82Å; V44-M61 HydrophobicContact CG1-CE 3.88Å
45	I	67.7	Low	66.3	Low	126 Å²	126	74.7 Å²	74.7	65%	0.646	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	132	174.9	-60.2	173.5	0	0	0	109.8	L47 M61	I45-L47 PolarHBondContact O-N 2.77Å; I45-M61 WeakPolarHBondContact O-CE 3.47Å
46	N	66.7	Low	66	Low	38 Å²	38	74.3 Å²	74.3	20%	0.203	41%	0.41	C	S	.	.			trans	-77.8	80.5	178.7	-175.7	11.8	0	0	0	111.6	S35 N36 V38 C48 K49	S35-N46 PolarHBondContact O-ND2 3.11Å; S35-N46 VanDerWaalsContact O-ND2 3.14Å; N36-N46 WeakPolarHBondContact O-CB 3.14Å; N36-N46 PolarHBondContact O-N 3.49Å; V38-N46 HydrophobicContact CG1-CB 4.49Å; N46-C48 PolarHBondContact O-N 2.82Å; N46-C48 VanDerWaalsContact O-N 3.14Å; N46-C48 PolarHBondContact OD1-N 2.66Å; N46-K49 WeakPolarHBondContact O-CB 3.05Å; N46-K49 PolarHBondContact O-N 2.92Å; N46-K49 VanDerWaalsContact O-N 3.08Å
47	L	69.7	Low	65.6	Low	71 Å²	71	71.2 Å²	71.2	37%	0.372	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-56.8	-28.9	178.7	-63.2	174	0	0	0	112.8	I45 K49 H50 M61 F66	I45-L47 PolarHBondContact O-N 2.77Å; L47-K49 PolarHBondContact O-N 3.33Å; L47-K49 VanDerWaalsContact O-N 3.13Å; L47-H50 PolarHBondContact O-N 2.77Å; L47-M61 HydrophobicContact CB-CE 4.28Å; L47-M61 HydrophobicContact CB-SD 3.74Å; L47-M61 HydrophobicContact CD1-CE 3.98Å; L47-M61 HydrophobicContact CD1-SD 4.44Å; L47-M61 HydrophobicContact CG-CE 4.04Å; L47-M61 HydrophobicContact CG-SD 4.18Å; L47-M61 PolarHBondContact N-SD 2.86Å; L47-F66 HydrophobicContact CB-CB 4.45Å
48	C	70.2	Confident	65.3	Low	25 Å²	25	76.4 Å²	76.4	17%	0.169	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-65	-13	178.4	-70.6	0	0	0	0	114.4	N46 H50 C59	N46-C48 PolarHBondContact O-N 2.82Å; N46-C48 VanDerWaalsContact O-N 3.14Å; N46-C48 PolarHBondContact OD1-N 2.66Å; C48-H50 PolarHBondContact O-N 2.82Å; C48-C59 WeakPolarHBondContact CA-SG 3.08Å; C48-C59 HydrophobicContact CB-CB 3.54Å; C48-C59 WeakPolarHBondContact CB-SG 3Å; C48-C59 WeakPolarHBondContact SG-CB 3.09Å; C48-C59 PolarHBondContact SG-O 3.34Å; C48-C59 VanDerWaalsContact SG-O 3.41Å; C48-C59 CovalentContact SG-SG 2.04Å; C48-C59 PolarHBondContact SG-SG 3.42Å
49	K	63.9	Low	65.3	Low	101 Å²	101	75.2 Å²	75.2	44%	0.439	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-71.2	-17.4	170.8	-165.7	172.3	176.9	-177.2	0	113.5	S35 N36 N46 L47	S35-K49 PolarHBondContact OG-NZ 2.7Å; N36-K49 WeakPolarHBondContact OD1-CD 3.15Å; N36-K49 PolarHBondContact OD1-NZ 2.89Å; N46-K49 WeakPolarHBondContact O-CB 3.05Å; N46-K49 PolarHBondContact O-N 2.92Å; N46-K49 VanDerWaalsContact O-N 3.08Å; L47-K49 PolarHBondContact O-N 3.33Å; L47-K49 VanDerWaalsContact O-N 3.13Å
50	H	63.3	Low	65.6	Low	164 Å²	164	78.3 Å²	78.3	76%	0.759	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-112.4	4.7	178.7	-63.8	-69.8	0	0	0	113.8	L47 C48	L47-H50 PolarHBondContact O-N 2.77Å; C48-H50 PolarHBondContact O-N 2.82Å
51	V	64.3	Low	65.2	Low	34 Å²	34	77.3 Å²	77.3	21%	0.206	41%	0.412	C	S	.	.			trans	-115.5	105.7	-179.1	176.2	0	0	0	0	109.2	F66	V51-F66 HydrophobicContact CB-CD2 4.39Å; V51-F66 HydrophobicContact CB-CE2 4.43Å; V51-F66 HydrophobicContact CG1-CD2 3.79Å; V51-F66 HydrophobicContact CG1-CE2 3.6Å; V51-F66 HydrophobicContact CG1-CZ 4.2Å; V51-F66 HydrophobicContact CG2-CD1 3.84Å; V51-F66 HydrophobicContact CG2-CD2 3.98Å; V51-F66 HydrophobicContact CG2-CE1 3.83Å; V51-F66 HydrophobicContact CG2-CE2 3.97Å; V51-F66 HydrophobicContact CG2-CG 3.92Å; V51-F66 HydrophobicContact CG2-CZ 3.89Å
52	K	63.2	Low	64.7	Low	201 Å²	201	79.8 Å²	79.8	87%	0.874	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-74.5	123.3	150.2	-82.4	-168.1	171.7	-171.1	0	107.2
53	C	62.4	Low	63.6	Low	16 Å²	16	89 Å²	89	11%	0.108	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-80.5	140.6	158.9	-59.7	0	0	0	0	107.7	G57 C68	C53-G57 WeakPolarHBondContact CB-O 3.33Å; C53-C68 HydrophobicContact CB-CB 3.76Å; C53-C68 WeakPolarHBondContact CB-SG 3.01Å; C53-C68 VanDerWaalsContact SG-CA 3.51Å; C53-C68 WeakPolarHBondContact SG-CB 3.29Å; C53-C68 CovalentContact SG-SG 2.03Å; C53-C68 PolarHBondContact SG-SG 2.79Å
54	D	53.3	Low	62.5	Low	111 Å²	111	88.3 Å²	88.3	59%	0.594	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-65.5	164	174.8	-53.9	-59.4	0	0	0	111.1	G56 G57 F79	D54-G56 PolarHBondContact O-N 3.11Å; D54-G57 PolarHBondContact O-N 3.04Å; D54-G57 VanDerWaalsContact O-N 3.11Å; D54-F79 HydrophobicContact CB-CE2 3.74Å; D54-F79 HydrophobicContact CB-CZ 3.79Å; D54-F79 VanDerWaalsContact O-CE1 3.26Å; D54-F79 WeakPolarHBondContact O-CE1 3.5Å; D54-F79 VanDerWaalsContact O-CZ 3.28Å; D54-F79 WeakPolarHBondContact O-CZ 3.34Å
55	N	48.6	Very low	62.5	Low	98 Å²	98	86.1 Å²	86.1	52%	0.524	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	48.9	37.8	175.5	-55	-17.1	0	0	0	114.6	G57 F79	N55-G57 VanDerWaalsContact C-N 3.33Å; N55-G57 PolarHBondContact O-N 3.06Å; N55-F79 HydrophobicContact CB-CD1 3.86Å; N55-F79 HydrophobicContact CB-CE1 3.91Å; N55-F79 WeakPolarHBondContact ND2-CG 3.04Å
56	G	56.5	Low	62.6	Low	70 Å²	70	85.3 Å²	85.3	72%	0.722	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	75.1	12.7	175.3	0	0	0	0	0	115.7	D54	D54-G56 PolarHBondContact O-N 3.11Å
57	G	57.7	Low	62.6	Low	14 Å²	14	84.8 Å²	84.8	14%	0.144	47%	0.468	C	S	.	.			trans	-58.7	143.6	-179.5	0	0	0	0	0	114.5	C53 D54 N55 I69	C53-G57 WeakPolarHBondContact CB-O 3.33Å; D54-G57 PolarHBondContact O-N 3.04Å; D54-G57 VanDerWaalsContact O-N 3.11Å; N55-G57 VanDerWaalsContact C-N 3.33Å; N55-G57 PolarHBondContact O-N 3.06Å; G57-I69 CarbonylContact C-O 3.51Å; G57-I69 WeakPolarHBondContact CA-O 3.38Å
58	L	62.2	Low	62.5	Low	125 Å²	125	83.4 Å²	83.4	65%	0.654	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.6	177.7	-165.9	80	0	0	0	110.3	Q60 I69	L58-Q60 PolarHBondContact O-N 3.05Å; L58-I69 HydrophobicContact CB-CB 4.45Å; L58-I69 PolarHBondContact N-O 3.36Å; L58-I69 WeakPolarHBondContact O-CB 3.29Å; L58-I69 PolarHBondContact O-N 2.82Å
59	C	69.4	Low	62.1	Low	30 Å²	30	85.7 Å²	85.7	20%	0.203	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.5	177.4	-175.8	0	0	0	0	112	C48	C48-C59 WeakPolarHBondContact CA-SG 3.08Å; C48-C59 HydrophobicContact CB-CB 3.54Å; C48-C59 WeakPolarHBondContact CB-SG 3Å; C48-C59 WeakPolarHBondContact SG-CB 3.09Å; C48-C59 PolarHBondContact SG-O 3.34Å; C48-C59 VanDerWaalsContact SG-O 3.41Å; C48-C59 CovalentContact SG-SG 2.04Å; C48-C59 PolarHBondContact SG-SG 3.42Å
60	Q	73.2	Confident	61.7	Low	95 Å²	95	82.2 Å²	82.2	44%	0.444	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.2	174.4	-175.6	-173.2	62.4	0	0	111	L58 F66 S67 I69	L58-Q60 PolarHBondContact O-N 3.05Å; Q60-F66 CarbonylContact O-C 3.53Å; Q60-F66 WeakPolarHBondContact O-CA 3.33Å; Q60-S67 PolarHBondContact N-O 2.03Å; Q60-S67 PolarHBondContact O-N 3.31Å; Q60-I69 HydrophobicContact CB-CD1 3.74Å; Q60-I69 HydrophobicContact CB-CG1 3.96Å; Q60-I69 HydrophobicContact CG-CD1 4.24Å
61	M	62.3	Low	61.1	Low	53 Å²	53	75.9 Å²	75.9	26%	0.261	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.4	170.4	-70.8	-61.6	-58.8	0	0	111.7	V44 I45 L47	V44-M61 HydrophobicContact CG1-CE 3.88Å; I45-M61 WeakPolarHBondContact O-CE 3.47Å; L47-M61 HydrophobicContact CB-CE 4.28Å; L47-M61 HydrophobicContact CB-SD 3.74Å; L47-M61 HydrophobicContact CD1-CE 3.98Å; L47-M61 HydrophobicContact CD1-SD 4.44Å; L47-M61 HydrophobicContact CG-CE 4.04Å; L47-M61 HydrophobicContact CG-SD 4.18Å; L47-M61 PolarHBondContact N-SD 2.86Å
62	K	66	Low	60.5	Low	120 Å²	120	79.3 Å²	79.3	52%	0.522	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	160.8	168.2	-83.8	-174.1	-179	152.1	0	110.3	G64 G65 S67	K62-G64 PolarHBondContact O-N 3.49Å; K62-G65 PolarHBondContact N-O 3.01Å; K62-G65 PolarHBondContact O-N 2.03Å; K62-S67 WeakPolarHBondContact CE-OG 3.19Å; K62-S67 PolarHBondContact NZ-OG 3.22Å
63	M	51	Low	59.8	Low	203 Å²	203	70.7 Å²	70.7	100%	1	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	114.2	170.7	-71.7	-158.3	-68.4	0	0	109.8
64	G	53.8	Low	59.1	Low	93 Å²	93	71.6 Å²	71.6	96%	0.959	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	3.5	-177.9	0	0	0	0	0	116.3	K62	K62-G64 PolarHBondContact O-N 3.49Å
65	G	67.8	Low	59	Low	20 Å²	20	69.7 Å²	69.7	21%	0.206	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-151.1	177	0	0	0	0	0	115.3	K62	K62-G65 PolarHBondContact N-O 3.01Å; K62-G65 PolarHBondContact O-N 2.03Å
66	F	69.3	Low	59	Low	109 Å²	109	67.2 Å²	67.2	48%	0.478	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	166.6	174.2	70.6	-89.4	0	0	0	111.1	L47 V51 Q60	L47-F66 HydrophobicContact CB-CB 4.45Å; V51-F66 HydrophobicContact CB-CD2 4.39Å; V51-F66 HydrophobicContact CB-CE2 4.43Å; V51-F66 HydrophobicContact CG1-CD2 3.79Å; V51-F66 HydrophobicContact CG1-CE2 3.6Å; V51-F66 HydrophobicContact CG1-CZ 4.2Å; V51-F66 HydrophobicContact CG2-CD1 3.84Å; V51-F66 HydrophobicContact CG2-CD2 3.98Å; V51-F66 HydrophobicContact CG2-CE1 3.83Å; V51-F66 HydrophobicContact CG2-CE2 3.97Å; V51-F66 HydrophobicContact CG2-CG 3.92Å; V51-F66 HydrophobicContact CG2-CZ 3.89Å; Q60-F66 CarbonylContact O-C 3.53Å; Q60-F66 WeakPolarHBondContact O-CA 3.33Å
67	S	66.8	Low	58.6	Low	27 Å²	27	72 Å²	72	19%	0.189	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	118	178	-170.7	0	0	0	0	108.2	Q60 K62 I69	Q60-S67 PolarHBondContact N-O 2.03Å; Q60-S67 PolarHBondContact O-N 3.31Å; K62-S67 WeakPolarHBondContact CE-OG 3.19Å; K62-S67 PolarHBondContact NZ-OG 3.22Å; S67-I69 PolarHBondContact O-N 3.11Å
68	C	66.4	Low	58.1	Low	43 Å²	43	76 Å²	76	29%	0.291	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119.8	167.7	-67.1	0	0	0	0	108.8	C53	C53-C68 HydrophobicContact CB-CB 3.76Å; C53-C68 WeakPolarHBondContact CB-SG 3.01Å; C53-C68 VanDerWaalsContact SG-CA 3.51Å; C53-C68 WeakPolarHBondContact SG-CB 3.29Å; C53-C68 CovalentContact SG-SG 2.03Å; C53-C68 PolarHBondContact SG-SG 2.79Å
69	I	63.2	Low	57.5	Low	72 Å²	72	72.2 Å²	72.2	37%	0.369	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	108.7	160.4	-55.5	173.8	0	0	0	104.7	G57 L58 Q60 S67	G57-I69 CarbonylContact C-O 3.51Å; G57-I69 WeakPolarHBondContact CA-O 3.38Å; L58-I69 HydrophobicContact CB-CB 4.45Å; L58-I69 PolarHBondContact N-O 3.36Å; L58-I69 WeakPolarHBondContact O-CB 3.29Å; L58-I69 PolarHBondContact O-N 2.82Å; Q60-I69 HydrophobicContact CB-CD1 3.74Å; Q60-I69 HydrophobicContact CB-CG1 3.96Å; Q60-I69 HydrophobicContact CG-CD1 4.24Å; S67-I69 PolarHBondContact O-N 3.11Å
70	C	55.2	Low	56.8	Low	28 Å²	28	76 Å²	76	19%	0.189	44%	0.444	C	S	.	.			trans	-66.5	159.5	172.9	-53.8	0	0	0	0	109.8	F74 F79	C70-F74 HydrophobicContact CB-CB 3.83Å; C70-F74 WeakPolarHBondContact CB-O 2.99Å; C70-F79 HydrophobicContact CB-CE1 4.38Å
71	P	49.6	Very low	55.8	Low	32 Å²	32	74.4 Å²	74.4	21%	0.208	44%	0.438	C	S	.	.			trans	-52.3	156.5	165.6	-21.2	33.3	0	0	0	110.2	E73 F74	P71-E73 PolarHBondContact O-N 2.75Å; P71-F74 HydrophobicContact CB-CD2 4.23Å; P71-F74 HydrophobicContact CG-CD2 4.14Å; P71-F74 PolarHBondContact O-N 3.3Å
72	P	51.5	Low	55.6	Low	106 Å²	106	73.8 Å²	73.8	69%	0.688	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.6	-179.2	24	-34.3	0	0	0	113.6	F74 V82	P72-F74 VanDerWaalsContact C-N 3.32Å; P72-F74 PolarHBondContact O-N 3.27Å; P72-V82 WeakPolarHBondContact O-CG2 3.01Å
73	E	49.5	Very low	55.3	Low	20 Å²	20	71.3 Å²	71.3	9%	0.093	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.6	-179.7	-62.3	144.8	-152.9	0	0	113.7	P71 D81 V82 E101 G102 K123	P71-E73 PolarHBondContact O-N 2.75Å; E73-D81 CarbonylContact O-C 3.57Å; E73-D81 WeakPolarHBondContact O-CA 3.21Å; E73-V82 PolarHBondContact O-N 2.6Å; E73-E101 VanDerWaalsContact OE2-C 3.24Å; E73-G102 PolarHBondContact OE2-N 3.43Å; E73-K123 WeakPolarHBondContact OE1-CD 3.49Å; E73-K123 WeakPolarHBondContact OE1-CE 3.39Å; E73-K123 IonicContact OE1-NZ 2.71Å; E73-K123 PolarHBondContact OE1-NZ 2.9Å; E73-K123 IonicContact OE2-NZ 2.65Å; E73-K123 PolarHBondContact OE2-NZ 3.37Å
74	F	47.5	Very low	55.8	Low	34 Å²	34	63.7 Å²	63.7	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.7	-176.9	-67.9	-84.1	0	0	0	114	C70 P71 P72 F79 I80 N100	C70-F74 HydrophobicContact CB-CB 3.83Å; C70-F74 WeakPolarHBondContact CB-O 2.99Å; P71-F74 HydrophobicContact CB-CD2 4.23Å; P71-F74 HydrophobicContact CG-CD2 4.14Å; P71-F74 PolarHBondContact O-N 3.3Å; P72-F74 VanDerWaalsContact C-N 3.32Å; P72-F74 PolarHBondContact O-N 3.27Å; F74-F79 HydrophobicContact CB-CD1 4.18Å; F74-F79 HydrophobicContact CD1-CB 3.92Å; F74-F79 HydrophobicContact CD1-CD1 4.23Å; F74-F79 HydrophobicContact CE1-CB 4.46Å; F74-F79 HydrophobicContact CG-CD1 4.19Å; F74-I80 CarbonylContact C-O 3.57Å; F74-N100 WeakPolarHBondContact CZ-O 3.48Å
75	T	51.6	Low	56.2	Low	71 Å²	71	60.5 Å²	60.5	44%	0.436	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.4	176.2	81	0	0	0	0	114.3	I80 V82	T75-I80 PolarHBondContact N-O 2.66Å; T75-I80 PolarHBondContact O-N 3.33Å; T75-V82 HydrophobicContact CG2-CG2 3.34Å
76	G	48.8	Very low	55.8	Low	46 Å²	46	66.4 Å²	66.4	47%	0.474	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	70.9	174.3	168.5	0	0	0	0	0	115.4	S78 F79	G76-S78 PolarHBondContact O-N 2.89Å; G76-F79 PolarHBondContact O-N 2.82Å
77	N	46.9	Very low	55.3	Low	170 Å²	170	65.3 Å²	65.3	91%	0.909	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-73.3	15.8	179.9	-61.6	17.1	0	0	0	113.5
78	S	48	Very low	54.8	Low	98 Å²	98	68.8 Å²	68.8	69%	0.685	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-138.9	14.6	-173.8	-57.4	0	0	0	0	112.8	G76 I80	G76-S78 PolarHBondContact O-N 2.89Å; S78-I80 PolarHBondContact O-N 3.11Å
79	F	50.3	Low	54	Low	47 Å²	47	69.4 Å²	69.4	21%	0.206	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	57.4	175.8	-63.9	-86.9	0	0	0	113.6	D54 N55 C70 F74 G76 D81	D54-F79 HydrophobicContact CB-CE2 3.74Å; D54-F79 HydrophobicContact CB-CZ 3.79Å; D54-F79 VanDerWaalsContact O-CE1 3.26Å; D54-F79 WeakPolarHBondContact O-CE1 3.5Å; D54-F79 VanDerWaalsContact O-CZ 3.28Å; D54-F79 WeakPolarHBondContact O-CZ 3.34Å; N55-F79 HydrophobicContact CB-CD1 3.86Å; N55-F79 HydrophobicContact CB-CE1 3.91Å; N55-F79 WeakPolarHBondContact ND2-CG 3.04Å; C70-F79 HydrophobicContact CB-CE1 4.38Å; F74-F79 HydrophobicContact CB-CD1 4.18Å; F74-F79 HydrophobicContact CD1-CB 3.92Å; F74-F79 HydrophobicContact CD1-CD1 4.23Å; F74-F79 HydrophobicContact CE1-CB 4.46Å; F74-F79 HydrophobicContact CG-CD1 4.19Å; G76-F79 PolarHBondContact O-N 2.82Å; F79-D81 PolarHBondContact O-N 3.18Å
80	I	54.8	Low	53.2	Low	109 Å²	109	67.4 Å²	67.4	56%	0.559	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	109.5	172.7	-56.1	174	0	0	0	108	F74 T75 S78 V82	F74-I80 CarbonylContact C-O 3.57Å; T75-I80 PolarHBondContact N-O 2.66Å; T75-I80 PolarHBondContact O-N 3.33Å; S78-I80 PolarHBondContact O-N 3.11Å; I80-V82 PolarHBondContact O-N 3.38Å
81	D	52.5	Low	52.9	Low	62 Å²	62	71.9 Å²	71.9	33%	0.332	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-39.3	128.2	170	173.9	39.5	0	0	0	112.5	E73 F79 N98	E73-D81 CarbonylContact O-C 3.57Å; E73-D81 WeakPolarHBondContact O-CA 3.21Å; F79-D81 PolarHBondContact O-N 3.18Å; D81-N98 VanDerWaalsContact CG-ND2 3.26Å; D81-N98 PolarHBondContact OD1-ND2 2.85Å; D81-N98 PolarHBondContact OD2-ND2 2.82Å
82	V	57.4	Low	52.6	Low	39 Å²	39	76.4 Å²	76.4	24%	0.236	45%	0.451	C	S	.	.			trans	-85.3	113.3	175.7	174.1	0	0	0	0	108.3	P72 E73 T75 I80 E84 N98	P72-V82 WeakPolarHBondContact O-CG2 3.01Å; E73-V82 PolarHBondContact O-N 2.6Å; T75-V82 HydrophobicContact CG2-CG2 3.34Å; I80-V82 PolarHBondContact O-N 3.38Å; V82-E84 VanDerWaalsContact C-N 3.33Å; V82-E84 HydrophobicContact CG1-CG 4.04Å; V82-E84 PolarHBondContact O-N 3.12Å; V82-N98 PolarHBondContact O-ND2 3.41Å; V82-N98 VanDerWaalsContact O-ND2 3.09Å; V82-N98 PolarHBondContact O-OD1 2.78Å
83	N	60.3	Low	52.7	Low	69 Å²	69	77.9 Å²	77.9	37%	0.369	45%	0.453	S	S	.	.			trans	-77.7	83.7	172.9	-168.2	-47.7	0	0	0	110.5	C85 L86 N98	N83-C85 PolarHBondContact O-N 3.38Å; N83-C85 VanDerWaalsContact OD1-CB 3.31Å; N83-C85 WeakPolarHBondContact OD1-CB 3.4Å; N83-C85 PolarHBondContact OD1-N 2.69Å; N83-L86 HydrophobicContact CB-CD1 3.92Å; N83-L86 HydrophobicContact CB-CG 3.94Å; N83-L86 VanDerWaalsContact O-CB 3.25Å; N83-L86 WeakPolarHBondContact O-CB 3.44Å; N83-L86 VanDerWaalsContact O-CG 3.28Å; N83-L86 WeakPolarHBondContact O-CG 3.33Å; N83-L86 PolarHBondContact O-N 2.7Å; N83-L86 VanDerWaalsContact O-N 3.13Å; N83-L86 PolarHBondContact OD1-N 2.76Å; N83-N98 WeakPolarHBondContact CA-OD1 3.3Å
84	E	61	Low	52.5	Low	42 Å²	42	77.6 Å²	77.6	20%	0.196	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-63.7	-24	177.6	-65.3	103.4	-153.2	0	0	112.2	V82 L86 S87 N98 S103	V82-E84 VanDerWaalsContact C-N 3.33Å; V82-E84 HydrophobicContact CG1-CG 4.04Å; V82-E84 PolarHBondContact O-N 3.12Å; E84-L86 PolarHBondContact O-N 2.91Å; E84-L86 VanDerWaalsContact O-N 3.11Å; E84-S87 WeakPolarHBondContact O-CB 3.25Å; E84-S87 PolarHBondContact O-N 3.09Å; E84-S87 PolarHBondContact O-OG 2.96Å; E84-N98 PolarHBondContact N-OD1 2.88Å; E84-S103 WeakPolarHBondContact CB-OG 3.21Å; E84-S103 WeakPolarHBondContact OE2-CB 3.25Å; E84-S103 PolarHBondContact OE2-N 3.43Å; E84-S103 PolarHBondContact OE2-OG 2.67Å
85	C	61.3	Low	53	Low	27 Å²	27	81.7 Å²	81.7	18%	0.182	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-59.9	-20.1	174.4	-58.2	0	0	0	0	113	N83 S87 S88 C96	N83-C85 PolarHBondContact O-N 3.38Å; N83-C85 VanDerWaalsContact OD1-CB 3.31Å; N83-C85 WeakPolarHBondContact OD1-CB 3.4Å; N83-C85 PolarHBondContact OD1-N 2.69Å; C85-S87 PolarHBondContact O-N 3.33Å; C85-S88 PolarHBondContact O-N 3.41Å; C85-C96 WeakPolarHBondContact CA-SG 3.24Å; C85-C96 HydrophobicContact CB-CB 3.69Å; C85-C96 WeakPolarHBondContact CB-SG 3.41Å; C85-C96 WeakPolarHBondContact SG-CB 3.45Å; C85-C96 CovalentContact SG-SG 2.03Å; C85-C96 PolarHBondContact SG-SG 3.05Å
86	L	60.2	Low	53.3	Low	144 Å²	144	79.8 Å²	79.8	75%	0.754	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-58.6	-22.8	168.5	-65.7	173.5	0	0	0	113.6	N83 E84 S88	N83-L86 HydrophobicContact CB-CD1 3.92Å; N83-L86 HydrophobicContact CB-CG 3.94Å; N83-L86 VanDerWaalsContact O-CB 3.25Å; N83-L86 WeakPolarHBondContact O-CB 3.44Å; N83-L86 VanDerWaalsContact O-CG 3.28Å; N83-L86 WeakPolarHBondContact O-CG 3.33Å; N83-L86 PolarHBondContact O-N 2.7Å; N83-L86 VanDerWaalsContact O-N 3.13Å; N83-L86 PolarHBondContact OD1-N 2.76Å; E84-L86 PolarHBondContact O-N 2.91Å; E84-L86 VanDerWaalsContact O-N 3.11Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.87Å
87	S	59.1	Low	53.9	Low	86 Å²	86	80.6 Å²	80.6	60%	0.601	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-78.5	-7.1	175.7	69.7	0	0	0	0	114.1	E84 C85 P89	E84-S87 WeakPolarHBondContact O-CB 3.25Å; E84-S87 PolarHBondContact O-N 3.09Å; E84-S87 PolarHBondContact O-OG 2.96Å; C85-S87 PolarHBondContact O-N 3.33Å; S87-P89 WeakPolarHBondContact OG-CD 3.45Å
88	S	54.9	Low	54.2	Low	100 Å²	100	74.4 Å²	74.4	70%	0.699	43%	0.43	S	S	*	.			trans	52.4	55.3	-173	-55.6	0	0	0	0	113.9	C85 L86 C90	C85-S88 PolarHBondContact O-N 3.41Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.87Å; S88-C90 VanDerWaalsContact C-N 3.27Å; S88-C90 PolarHBondContact O-N 3.35Å
89	P	51.2	Low	54.5	Low	55 Å²	55	70.7 Å²	70.7	36%	0.357	41%	0.407	S	S	.	.			trans	-75	-13.8	-173.4	32.4	-36	0	0	0	114	S87	S87-P89 WeakPolarHBondContact OG-CD 3.45Å
90	C	46.5	Very low	54.4	Low	30 Å²	30	74.8 Å²	74.8	20%	0.203	43%	0.431	C	S	.	.			trans	-84.3	115.7	-178	-67.1	0	0	0	0	111.6	S88 G94	S88-C90 VanDerWaalsContact C-N 3.27Å; S88-C90 PolarHBondContact O-N 3.35Å; C90-G94 VanDerWaalsContact CB-O 3.23Å; C90-G94 WeakPolarHBondContact CB-O 3.45Å
91	N	48.1	Very low	54.3	Low	123 Å²	123	77 Å²	77	66%	0.658	44%	0.439	S	S	*	.			trans	-89.9	165.8	161.3	-73.8	-72.2	0	0	0	109.9	G94	N91-G94 PolarHBondContact O-N 2.58Å
92	N	42.4	Very low	54	Low	127 Å²	127	74.4 Å²	74.4	68%	0.679	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	65.1	177.7	-55.1	-14.5	0	0	0	112.5	G94 E108	N92-G94 PolarHBondContact O-N 3Å; N92-E108 VanDerWaalsContact O-CB 3.3Å; N92-E108 WeakPolarHBondContact O-CB 3.5Å; N92-E108 VanDerWaalsContact O-OE2 3.14Å
93	N	53.3	Low	53.5	Low	137 Å²	137	73.9 Å²	73.9	73%	0.733	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	13	175.1	-49.7	-34	0	0	0	117.3	E108	N93-E108 WeakPolarHBondContact CB-OE1 3.45Å; N93-E108 PolarHBondContact ND2-OE1 3.03Å
94	G	47.3	Very low	52.8	Low	14 Å²	14	73.1 Å²	73.1	14%	0.144	42%	0.423	C	S	.	.			trans	-57.1	139.7	-177.7	0	0	0	0	0	112.8	C90 N91 N92 C96 H106	C90-G94 VanDerWaalsContact CB-O 3.23Å; C90-G94 WeakPolarHBondContact CB-O 3.45Å; N91-G94 PolarHBondContact O-N 2.58Å; N92-G94 PolarHBondContact O-N 3Å; G94-C96 PolarHBondContact O-N 3.37Å; G94-H106 CarbonylContact C-O 3.53Å; G94-H106 WeakPolarHBondContact CA-O 3.48Å
95	L	58	Low	52.1	Low	120 Å²	120	71.9 Å²	71.9	63%	0.628	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	104.3	178.5	-173.8	70	0	0	0	109	V97 H106	L95-V97 HydrophobicContact CD2-CG2 4.12Å; L95-V97 HydrophobicContact CG-CG2 4.08Å; L95-V97 PolarHBondContact O-N 3.1Å; L95-H106 PolarHBondContact N-O 2.87Å; L95-H106 PolarHBondContact O-N 2.81Å
96	C	57.6	Low	51.5	Low	31 Å²	31	72.8 Å²	72.8	21%	0.209	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	120.6	169.6	-165.3	0	0	0	0	109.5	C85 G94	C85-C96 WeakPolarHBondContact CA-SG 3.24Å; C85-C96 HydrophobicContact CB-CB 3.69Å; C85-C96 WeakPolarHBondContact CB-SG 3.41Å; C85-C96 WeakPolarHBondContact SG-CB 3.45Å; C85-C96 CovalentContact SG-SG 2.03Å; C85-C96 PolarHBondContact SG-SG 3.05Å; G94-C96 PolarHBondContact O-N 3.37Å
97	V	60.1	Low	51	Low	63 Å²	63	67.6 Å²	67.6	38%	0.382	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	174.3	-168.3	0	0	0	0	108.3	L95 S103 T104	L95-V97 HydrophobicContact CD2-CG2 4.12Å; L95-V97 HydrophobicContact CG-CG2 4.08Å; L95-V97 PolarHBondContact O-N 3.1Å; V97-S103 WeakPolarHBondContact O-CA 3.42Å; V97-T104 PolarHBondContact N-O 3.24Å; V97-T104 PolarHBondContact O-N 2.77Å
98	N	54.9	Low	50.9	Low	39 Å²	39	67.4 Å²	67.4	21%	0.209	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119.2	172.9	-135	69.9	0	0	0	108.9	D81 V82 N83 E84	D81-N98 VanDerWaalsContact CG-ND2 3.26Å; D81-N98 PolarHBondContact OD1-ND2 2.85Å; D81-N98 PolarHBondContact OD2-ND2 2.82Å; V82-N98 PolarHBondContact O-ND2 3.41Å; V82-N98 VanDerWaalsContact O-ND2 3.09Å; V82-N98 PolarHBondContact O-OD1 2.78Å; N83-N98 WeakPolarHBondContact CA-OD1 3.3Å; E84-N98 PolarHBondContact N-OD1 2.88Å
99	G	52.7	Low	50.8	Low	21 Å²	21	66.2 Å²	66.2	22%	0.216	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	157	175	0	0	0	0	0	111	E101 G102	G99-E101 PolarHBondContact O-N 2.92Å; G99-G102 PolarHBondContact N-O 3.21Å; G99-G102 PolarHBondContact O-N 2.04Å
100	N	49.9	Very low	51.1	Low	133 Å²	133	65 Å²	65	71%	0.711	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	1.2	-179.1	-58.4	-14.2	0	0	0	114.5	F74	F74-N100 WeakPolarHBondContact CZ-O 3.48Å
101	E	51.2	Low	51.7	Low	155 Å²	155	65.9 Å²	65.9	72%	0.724	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	28.2	175.6	-58	-174.2	169	0	0	110.6	E73 G99 K123	E73-E101 VanDerWaalsContact OE2-C 3.24Å; G99-E101 PolarHBondContact O-N 2.92Å; E101-K123 PolarHBondContact O-NZ 3.47Å
102	G	46.9	Very low	52.5	Low	7 Å²	7	63.9 Å²	63.9	7%	0.072	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.4	168.2	178.8	0	0	0	0	0	115.5	E73 G99 T104	E73-G102 PolarHBondContact OE2-N 3.43Å; G99-G102 PolarHBondContact N-O 3.21Å; G99-G102 PolarHBondContact O-N 2.04Å; G102-T104 PolarHBondContact O-N 2.68Å
103	S	46.7	Very low	53.8	Low	29 Å²	29	64.4 Å²	64.4	20%	0.203	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	116.7	-176.4	36.4	0	0	0	0	113.2	E84 V97 V105	E84-S103 WeakPolarHBondContact CB-OG 3.21Å; E84-S103 WeakPolarHBondContact OE2-CB 3.25Å; E84-S103 PolarHBondContact OE2-N 3.43Å; E84-S103 PolarHBondContact OE2-OG 2.67Å; V97-S103 WeakPolarHBondContact O-CA 3.42Å; S103-V105 PolarHBondContact O-N 3.22Å
104	T	45.4	Very low	54.8	Low	52 Å²	52	59.2 Å²	59.2	32%	0.319	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	110.4	173.5	-17	0	0	0	0	108.6	V97 G102 H106	V97-T104 PolarHBondContact N-O 3.24Å; V97-T104 PolarHBondContact O-N 2.77Å; G102-T104 PolarHBondContact O-N 2.68Å; T104-H106 PolarHBondContact O-N 3.43Å
105	V	46.8	Very low	56.5	Low	17 Å²	17	62.2 Å²	62.2	10%	0.103	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	95.2	-177.9	-173.4	0	0	0	0	109.9	S103 H107 Q126	S103-V105 PolarHBondContact O-N 3.22Å; V105-H107 WeakPolarHBondContact CG1-CE1 3.38Å; V105-H107 PolarHBondContact O-N 2.83Å; V105-Q126 PolarHBondContact O-N 2.75Å
106	H	47.8	Very low	57.7	Low	46 Å²	46	56.7 Å²	56.7	21%	0.213	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	101.5	169.7	-109.3	-45.5	0	0	0	109.6	G94 L95 T104	G94-H106 CarbonylContact C-O 3.53Å; G94-H106 WeakPolarHBondContact CA-O 3.48Å; L95-H106 PolarHBondContact N-O 2.87Å; L95-H106 PolarHBondContact O-N 2.81Å; T104-H106 PolarHBondContact O-N 3.43Å
107	H	50.9	Low	59	Low	35 Å²	35	61.1 Å²	61.1	16%	0.162	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149.7	173.1	-83.2	110.9	0	0	0	112	V105 Q126 W127	V105-H107 WeakPolarHBondContact CG1-CE1 3.38Å; V105-H107 PolarHBondContact O-N 2.83Å; H107-Q126 PolarHBondContact N-O 2.81Å; H107-Q126 VanDerWaalsContact N-O 3.07Å; H107-W127 HydrophobicContact CB-CG 4.11Å; H107-W127 AromaticContact CG-CD1 3.95Å; H107-W127 AromaticContact CG-NE1 3.52Å; H107-W127 AromaticContact ND1-CE2 3.75Å; H107-W127 AromaticContact ND1-CZ2 3.97Å; H107-W127 AromaticContact ND1-NE1 3.39Å; H107-W127 PolarHBondContact ND1-NE1 3.43Å
108	E	55.7	Low	60.2	Low	81 Å²	81	58.2 Å²	58.2	38%	0.379	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	155.8	-167.7	-179.4	173.3	-137.9	0	0	115.1	N92 N93 I110	N92-E108 VanDerWaalsContact O-CB 3.3Å; N92-E108 WeakPolarHBondContact O-CB 3.5Å; N92-E108 VanDerWaalsContact O-OE2 3.14Å; N93-E108 WeakPolarHBondContact CB-OE1 3.45Å; N93-E108 PolarHBondContact ND2-OE1 3.03Å; E108-I110 WeakPolarHBondContact O-CG1 3.25Å; E108-I110 PolarHBondContact O-N 2.88Å
109	I	53.1	Low	61.4	Low	76 Å²	76	58.7 Å²	58.7	39%	0.39	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	101.7	169.2	-67	166.2	0	0	0	109.6	D111 S128 L130	I109-D111 PolarHBondContact O-N 3.07Å; I109-S128 WeakPolarHBondContact CA-O 3.44Å; I109-L130 HydrophobicContact CD1-CD2 4.46Å; I109-L130 HydrophobicContact CG2-CB 3.92Å; I109-L130 WeakPolarHBondContact CG2-O 3.27Å
110	I	58.3	Low	62.6	Low	28 Å²	28	58.5 Å²	58.5	14%	0.144	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	111.9	173.6	-50.7	-173.1	0	0	0	108.3	E108 T112 A114 I116 L129 L130 W214	E108-I110 WeakPolarHBondContact O-CG1 3.25Å; E108-I110 PolarHBondContact O-N 2.88Å; I110-T112 WeakPolarHBondContact CG2-O 3.48Å; I110-A114 HydrophobicContact CD1-CB 4.06Å; I110-A114 HydrophobicContact CG2-CB 3.49Å; I110-A114 VanDerWaalsContact CG2-CB 3.49Å; I110-I116 HydrophobicContact CD1-CD1 4.01Å; I110-I116 HydrophobicContact CD1-CG1 3.92Å; I110-L129 HydrophobicContact CB-CD2 3.66Å; I110-L129 HydrophobicContact CD1-CD2 3.84Å; I110-L129 HydrophobicContact CG1-CD2 3.97Å; I110-L129 HydrophobicContact CG2-CD2 4.36Å; I110-L130 PolarHBondContact O-N 3.5Å; I110-W214 WeakPolarHBondContact O-CZ2 3.43Å
111	D	57.9	Low	63.8	Low	49 Å²	49	55 Å²	55	26%	0.262	29%	0.292	S	S	.	.			trans	-107.7	5.6	179.4	62.9	-5.5	0	0	0	113.2	I109 K132	I109-D111 PolarHBondContact O-N 3.07Å; D111-K132 HydrophobicContact CB-CB 4.42Å; D111-K132 HydrophobicContact CB-CD 4.13Å; D111-K132 HydrophobicContact CB-CG 3.99Å; D111-K132 VanDerWaalsContact OD2-CD 3.24Å; D111-K132 WeakPolarHBondContact OD2-CD 3.44Å; D111-K132 VanDerWaalsContact OD2-CE 3.27Å; D111-K132 WeakPolarHBondContact OD2-CE 3.43Å; D111-K132 IonicContact OD2-NZ 3.8Å; D111-K132 PolarHBondContact OD2-NZ 3.2Å
112	T	65.6	Low	64.9	Low	82 Å²	82	50 Å²	50	50%	0.503	27%	0.269	S	S	.	.	S	Bend	trans	-135.2	173.8	-168.9	32.1	0	0	0	0	110.6	I110 W214	I110-T112 WeakPolarHBondContact CG2-O 3.48Å; T112-W214 PolarHBondContact O-NE1 3.26Å
113	E	69.1	Low	66.1	Low	138 Å²	138	53.5 Å²	53.5	65%	0.645	28%	0.282	S	S	*	.	S	Bend	trans	-68.9	129.7	170	-65.4	-166.3	136.1	0	0	110	I212 R213	E113-I212 WeakPolarHBondContact CA-O 3.41Å; E113-R213 HydrophobicContact CG-CG 4.5Å; E113-R213 VanDerWaalsContact OE1-CD 3.27Å; E113-R213 WeakPolarHBondContact OE1-CD 3.25Å; E113-R213 WeakPolarHBondContact OE1-CG 3.31Å
114	A	75.6	Confident	67.4	Low	27 Å²	27	54.9 Å²	54.9	22%	0.223	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	168.8	-173.3	0	0	0	0	0	112.9	I110 I212	I110-A114 HydrophobicContact CD1-CB 4.06Å; I110-A114 HydrophobicContact CG2-CB 3.49Å; I110-A114 VanDerWaalsContact CG2-CB 3.49Å; A114-I212 PolarHBondContact N-O 3.2Å; A114-I212 PolarHBondContact O-N 3.1Å
115	V	82.1	Confident	68.8	Low	78 Å²	78	52.4 Å²	52.4	47%	0.473	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.3	175	-179.4	0	0	0	0	109.6	R117 M209 F210	V115-R117 HydrophobicContact CG1-CG 4.35Å; V115-M209 HydrophobicContact CG1-CG 3.45Å; V115-M209 VanDerWaalsContact CG1-CG 3.45Å; V115-M209 HydrophobicContact CG1-SD 3.81Å; V115-F210 CarbonylContact C-O 3.55Å; V115-F210 VanDerWaalsContact CA-O 3.29Å; V115-F210 WeakPolarHBondContact CA-O 3.03Å
116	I	84.3	Confident	70.4	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.4	175.5	-65.4	176.2	0	0	0	109.3	I110 W127 L129 I192 F208 M209 F210 I212	I110-I116 HydrophobicContact CD1-CD1 4.01Å; I110-I116 HydrophobicContact CD1-CG1 3.92Å; I116-W127 HydrophobicContact CD1-CB 3.9Å; I116-W127 HydrophobicContact CD1-CD2 4.46Å; I116-W127 HydrophobicContact CD1-CG 3.83Å; I116-W127 HydrophobicContact CG1-CG 4.34Å; I116-W127 HydrophobicContact CG2-CD2 3.65Å; I116-W127 VanDerWaalsContact CG2-CE2 3.49Å; I116-W127 HydrophobicContact CG2-CE3 4.12Å; I116-W127 HydrophobicContact CG2-CG 4.03Å; I116-W127 HydrophobicContact CG2-CH2 4.33Å; I116-W127 HydrophobicContact CG2-CZ2 3.87Å; I116-W127 HydrophobicContact CG2-CZ3 4.45Å; I116-L129 HydrophobicContact CD1-CD2 4.09Å; I116-I192 HydrophobicContact CD1-CD1 3.99Å; I116-F208 HydrophobicContact CG2-CE2 3.81Å; I116-F208 HydrophobicContact CG2-CZ 4.31Å; I116-M209 CarbonylContact O-C 3.57Å; I116-M209 VanDerWaalsContact O-CA 3.31Å; I116-M209 WeakPolarHBondContact O-CA 3.36Å; I116-F210 PolarHBondContact N-O 2.98Å; I116-F210 PolarHBondContact O-N 2.86Å; I116-I212 HydrophobicContact CD1-CD1 4.05Å; I116-I212 HydrophobicContact CD1-CG1 3.97Å; I116-I212 HydrophobicContact CG1-CG1 4.21Å
117	R	84.5	Confident	72	Confident	123 Å²	123	52.5 Å²	52.5	46%	0.464	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.7	177.9	-58.3	169.7	-171.4	-89.7	-5.3	110.4	V115 W127 E206 F208 M209	V115-R117 HydrophobicContact CG1-CG 4.35Å; R117-W127 WeakPolarHBondContact O-CZ2 3.49Å; R117-E206 VanDerWaalsContact CD-OE1 3.28Å; R117-E206 WeakPolarHBondContact CD-OE1 3.23Å; R117-E206 WeakPolarHBondContact CG-OE1 3.45Å; R117-E206 IonicContact CZ-OE1 2.81Å; R117-E206 IonicContact NE-OE1 2.68Å; R117-E206 IonicContact NH1-OE1 3.27Å; R117-E206 PolarHBondContact NH1-OE1 2.89Å; R117-E206 IonicContact NH1-OE2 2.66Å; R117-F208 WeakPolarHBondContact CA-O 3.28Å; R117-M209 HydrophobicContact CG-CB 4.5Å; R117-M209 HydrophobicContact CG-CG 4.28Å; R117-M209 PolarHBondContact NH1-SD 2.86Å; R117-M209 PolarHBondContact NH2-SD 2.74Å; R117-M209 VanDerWaalsContact NH2-SD 3.37Å
118	A	84.3	Confident	73.2	Confident	3 Å²	3	52.4 Å²	52.4	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.8	163.7	0	0	0	0	0	111.1	M122 W127 F194 V207 F208	A118-M122 HydrophobicContact CB-SD 3.79Å; A118-W127 HydrophobicContact CB-CH2 4.03Å; A118-F194 HydrophobicContact CB-CD1 3.8Å; A118-F194 HydrophobicContact CB-CE1 4.01Å; A118-F194 HydrophobicContact CB-CG 4.33Å; A118-V207 PolarHBondContact O-N 3.35Å; A118-F208 HydrophobicContact CB-CD1 3.71Å; A118-F208 HydrophobicContact CB-CE1 3.2Å; A118-F208 HydrophobicContact CB-CZ 3.75Å; A118-F208 PolarHBondContact N-O 2.89Å
119	N	81	Confident	74.3	Confident	48 Å²	48	48.6 Å²	48.6	26%	0.257	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	167.1	174.6	71.7	15.3	0	0	0	111.5	S121 M122 P204 A205	N119-S121 VanDerWaalsContact CG-OG 3.23Å; N119-S121 PolarHBondContact ND2-OG 2.83Å; N119-S121 PolarHBondContact O-N 2.88Å; N119-S121 PolarHBondContact OD1-N 3.08Å; N119-S121 VanDerWaalsContact OD1-N 3.17Å; N119-S121 PolarHBondContact OD1-OG 2.94Å; N119-M122 PolarHBondContact O-N 2.87Å; N119-M122 VanDerWaalsContact O-N 3.14Å; N119-M122 PolarHBondContact OD1-N 2.83Å; N119-P204 HydrophobicContact CB-CB 4.48Å; N119-A205 CarbonylContact C-O 3.47Å; N119-A205 WeakPolarHBondContact CA-O 3.37Å; N119-A205 VanDerWaalsContact CB-O 3.25Å; N119-A205 WeakPolarHBondContact CB-O 3.28Å
120	S	77.6	Confident	75.2	Confident	18 Å²	18	47.7 Å²	47.7	13%	0.126	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-3.4	-177.6	59	0	0	0	0	115	N196 A205	S120-N196 PolarHBondContact O-ND2 2.68Å; S120-A205 PolarHBondContact N-O 3.39Å; S120-A205 PolarHBondContact OG-N 3.21Å
121	S	74.3	Confident	75.7	Confident	60 Å²	60	47.2 Å²	47.2	42%	0.42	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.4	172.7	55.6	0	0	0	0	114.4	N119	N119-S121 VanDerWaalsContact CG-OG 3.23Å; N119-S121 PolarHBondContact ND2-OG 2.83Å; N119-S121 PolarHBondContact O-N 2.88Å; N119-S121 PolarHBondContact OD1-N 3.08Å; N119-S121 VanDerWaalsContact OD1-N 3.17Å; N119-S121 PolarHBondContact OD1-OG 2.94Å
122	M	75.2	Confident	75.9	Confident	49 Å²	49	51.7 Å²	51.7	24%	0.241	27%	0.268	C	S	.	.			trans	-79.7	127.5	170.9	-67.8	172.7	177	0	0	109.7	A118 N119 A125 F194 N196	A118-M122 HydrophobicContact CB-SD 3.79Å; N119-M122 PolarHBondContact O-N 2.87Å; N119-M122 VanDerWaalsContact O-N 3.14Å; N119-M122 PolarHBondContact OD1-N 2.83Å; M122-A125 HydrophobicContact CB-CB 4.41Å; M122-A125 HydrophobicContact SD-CB 4Å; M122-F194 HydrophobicContact CB-CD1 4.19Å; M122-F194 HydrophobicContact CB-CE1 4.08Å; M122-N196 WeakPolarHBondContact O-CB 3.26Å; M122-N196 PolarHBondContact O-ND2 2.89Å
123	K	72	Confident	75.7	Confident	80 Å²	80	51.2 Å²	51.2	35%	0.348	26%	0.262	S	S	.	.	S	Bend	trans	-84	-53.1	176	-175	-172.4	179.6	-171.4	0	111.5	E73 E101 N196	E73-K123 WeakPolarHBondContact OE1-CD 3.49Å; E73-K123 WeakPolarHBondContact OE1-CE 3.39Å; E73-K123 IonicContact OE1-NZ 2.71Å; E73-K123 PolarHBondContact OE1-NZ 2.9Å; E73-K123 IonicContact OE2-NZ 2.65Å; E73-K123 PolarHBondContact OE2-NZ 3.37Å; E101-K123 PolarHBondContact O-NZ 3.47Å; K123-N196 PolarHBondContact O-N 2.84Å
124	I	74.7	Confident	75	Confident	59 Å²	59	49 Å²	49	30%	0.303	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.3	170.9	-51	-176.6	0	0	0	107.6	F194 L195	I124-F194 WeakPolarHBondContact CA-O 3.45Å; I124-L195 HydrophobicContact CD1-CD2 4.35Å; I124-L195 HydrophobicContact CG1-CD2 4.17Å; I124-L195 HydrophobicContact CG2-CD2 4.29Å
125	A	74.6	Confident	74.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	134.9	173.4	0	0	0	0	0	110.4	M122 W127 F194	M122-A125 HydrophobicContact CB-CB 4.41Å; M122-A125 HydrophobicContact SD-CB 4Å; A125-W127 HydrophobicContact CB-CH2 3.41Å; A125-W127 VanDerWaalsContact CB-CH2 3.41Å; A125-W127 HydrophobicContact CB-CZ2 4.12Å; A125-W127 HydrophobicContact CB-CZ3 3.73Å; A125-W127 WeakPolarHBondContact O-CZ3 3.44Å; A125-F194 PolarHBondContact N-O 2.89Å; A125-F194 VanDerWaalsContact N-O 3.09Å; A125-F194 PolarHBondContact O-N 2.89Å
126	Q	80.3	Confident	72.9	Confident	52 Å²	52	49 Å²	49	24%	0.243	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131	-175.2	-171.3	174.7	-24.1	0	0	111.6	V105 H107 V191 I192	V105-Q126 PolarHBondContact O-N 2.75Å; H107-Q126 PolarHBondContact N-O 2.81Å; H107-Q126 VanDerWaalsContact N-O 3.07Å; Q126-V191 HydrophobicContact CG-CG1 3.85Å; Q126-I192 WeakPolarHBondContact CA-O 3.49Å
127	W	82	Confident	71.9	Confident	12 Å²	12	49 Å²	49	5%	0.045	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134	175.4	-61.6	-96.9	0	0	0	109.3	H107 I116 R117 A118 A125 V191 I192 F194 F208	H107-W127 HydrophobicContact CB-CG 4.11Å; H107-W127 AromaticContact CG-CD1 3.95Å; H107-W127 AromaticContact CG-NE1 3.52Å; H107-W127 AromaticContact ND1-CE2 3.75Å; H107-W127 AromaticContact ND1-CZ2 3.97Å; H107-W127 AromaticContact ND1-NE1 3.39Å; H107-W127 PolarHBondContact ND1-NE1 3.43Å; I116-W127 HydrophobicContact CD1-CB 3.9Å; I116-W127 HydrophobicContact CD1-CD2 4.46Å; I116-W127 HydrophobicContact CD1-CG 3.83Å; I116-W127 HydrophobicContact CG1-CG 4.34Å; I116-W127 HydrophobicContact CG2-CD2 3.65Å; I116-W127 VanDerWaalsContact CG2-CE2 3.49Å; I116-W127 HydrophobicContact CG2-CE3 4.12Å; I116-W127 HydrophobicContact CG2-CG 4.03Å; I116-W127 HydrophobicContact CG2-CH2 4.33Å; I116-W127 HydrophobicContact CG2-CZ2 3.87Å; I116-W127 HydrophobicContact CG2-CZ3 4.45Å; R117-W127 WeakPolarHBondContact O-CZ2 3.49Å; A118-W127 HydrophobicContact CB-CH2 4.03Å; A125-W127 HydrophobicContact CB-CH2 3.41Å; A125-W127 VanDerWaalsContact CB-CH2 3.41Å; A125-W127 HydrophobicContact CB-CZ2 4.12Å; A125-W127 HydrophobicContact CB-CZ3 3.73Å; A125-W127 WeakPolarHBondContact O-CZ3 3.44Å; W127-V191 WeakPolarHBondContact O-CA 3.34Å; W127-I192 HydrophobicContact CB-CB 4.45Å; W127-I192 HydrophobicContact CE3-CB 4.34Å; W127-I192 HydrophobicContact CE3-CG2 4.24Å; W127-I192 PolarHBondContact N-O 3.01Å; W127-I192 PolarHBondContact O-N 2.92Å; W127-F194 HydrophobicContact CZ3-CB 4.05Å; W127-F208 AromaticContact CH2-CZ 3.94Å; W127-F208 HydrophobicContact CH2-CZ 3.94Å; W127-F208 AromaticContact CZ3-CZ 3.84Å; W127-F208 HydrophobicContact CZ3-CZ 3.84Å
128	S	75.7	Confident	71.1	Confident	34 Å²	34	44.6 Å²	44.6	24%	0.238	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	105.6	176.5	-60.3	0	0	0	0	109.4	I109	I109-S128 WeakPolarHBondContact CA-O 3.44Å
129	L	77.3	Confident	70.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.7	176	-50.2	-180	0	0	0	107.6	I110 I116 V139 S189 L190 I192 I212	I110-L129 HydrophobicContact CB-CD2 3.66Å; I110-L129 HydrophobicContact CD1-CD2 3.84Å; I110-L129 HydrophobicContact CG1-CD2 3.97Å; I110-L129 HydrophobicContact CG2-CD2 4.36Å; I116-L129 HydrophobicContact CD1-CD2 4.09Å; L129-V139 HydrophobicContact CB-CG2 4.38Å; L129-V139 HydrophobicContact CD1-CG1 3.71Å; L129-S189 CarbonylContact O-C 3.54Å; L129-S189 VanDerWaalsContact O-CA 3.22Å; L129-S189 WeakPolarHBondContact O-CA 2.99Å; L129-S189 PolarHBondContact O-OG 3.01Å; L129-L190 HydrophobicContact CB-CB 4.29Å; L129-L190 WeakPolarHBondContact CB-O 3.42Å; L129-L190 HydrophobicContact CD1-CB 4.33Å; L129-L190 HydrophobicContact CD1-CD2 3.65Å; L129-L190 HydrophobicContact CG-CD2 4.31Å; L129-L190 PolarHBondContact N-O 3.13Å; L129-L190 PolarHBondContact O-N 3.28Å; L129-I192 HydrophobicContact CD1-CD1 4.32Å; L129-I212 HydrophobicContact CD1-CD1 3.83Å; L129-I212 HydrophobicContact CD1-CG1 4.31Å; L129-I212 HydrophobicContact CD1-CG2 4.06Å; L129-I212 HydrophobicContact CD2-CG1 4.46Å; L129-I212 HydrophobicContact CD2-CG2 4.39Å
130	L	72.4	Confident	71	Confident	58 Å²	58	42.9 Å²	42.9	30%	0.304	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	125.4	-179.9	174.8	68.8	0	0	0	109.8	I109 I110	I109-L130 HydrophobicContact CD1-CD2 4.46Å; I109-L130 HydrophobicContact CG2-CB 3.92Å; I109-L130 WeakPolarHBondContact CG2-O 3.27Å; I110-L130 PolarHBondContact O-N 3.5Å
131	S	68.8	Low	71.5	Confident	18 Å²	18	42 Å²	42	13%	0.126	23%	0.233	C	C	.	.			trans	-76.8	140.1	-178	-148.7	0	0	0	0	112.5	D133 S188 W214	S131-D133 PolarHBondContact OG-N 2.82Å; S131-D133 PolarHBondContact OG-O 2.71Å; S131-S188 PolarHBondContact N-O 3.26Å; S131-W214 VanDerWaalsContact CB-CZ3 3.43Å
132	K	61.9	Low	72.1	Confident	143 Å²	143	41 Å²	41	62%	0.622	22%	0.222	S	C	*	.	S	Bend	trans	-94.2	-9	165.7	-58.9	-179.9	-162	142.8	0	112.3	D111	D111-K132 HydrophobicContact CB-CB 4.42Å; D111-K132 HydrophobicContact CB-CD 4.13Å; D111-K132 HydrophobicContact CB-CG 3.99Å; D111-K132 VanDerWaalsContact OD2-CD 3.24Å; D111-K132 WeakPolarHBondContact OD2-CD 3.44Å; D111-K132 VanDerWaalsContact OD2-CE 3.27Å; D111-K132 WeakPolarHBondContact OD2-CE 3.43Å; D111-K132 IonicContact OD2-NZ 3.8Å; D111-K132 PolarHBondContact OD2-NZ 3.2Å
133	D	62.5	Low	72.8	Confident	71 Å²	71	40 Å²	40	38%	0.38	22%	0.218	S	C	.	.			trans	-103.8	113.5	176.5	-176.7	-14.9	0	0	0	110.1	S131 T135 L136	S131-D133 PolarHBondContact OG-N 2.82Å; S131-D133 PolarHBondContact OG-O 2.71Å; D133-T135 VanDerWaalsContact CG-OG1 3.23Å; D133-T135 PolarHBondContact O-N 3.31Å; D133-T135 WeakPolarHBondContact OD1-CA 3.38Å; D133-T135 VanDerWaalsContact OD1-CB 3.31Å; D133-T135 WeakPolarHBondContact OD1-CB 3.46Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.44Å; D133-T135 PolarHBondContact OD1-N 3.46Å; D133-T135 PolarHBondContact OD1-OG1 3.26Å; D133-T135 PolarHBondContact OD2-OG1 3.42Å; D133-L136 HydrophobicContact CB-CB 4.44Å; D133-L136 HydrophobicContact CB-CD1 3.92Å; D133-L136 HydrophobicContact CB-CG 3.96Å; D133-L136 PolarHBondContact O-N 2.62Å
134	A	54.8	Low	73.6	Confident	91 Å²	91	40.3 Å²	40.3	75%	0.752	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-1.2	179.3	0	0	0	0	0	114.5
135	T	55.2	Low	74.2	Confident	76 Å²	76	41.5 Å²	41.5	47%	0.466	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.8	171.1	75.5	0	0	0	0	113.6	D133	D133-T135 VanDerWaalsContact CG-OG1 3.23Å; D133-T135 PolarHBondContact O-N 3.31Å; D133-T135 WeakPolarHBondContact OD1-CA 3.38Å; D133-T135 VanDerWaalsContact OD1-CB 3.31Å; D133-T135 WeakPolarHBondContact OD1-CB 3.46Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.44Å; D133-T135 PolarHBondContact OD1-N 3.46Å; D133-T135 PolarHBondContact OD1-OG1 3.26Å; D133-T135 PolarHBondContact OD2-OG1 3.42Å
136	L	57.7	Low	74.9	Confident	30 Å²	30	43.7 Å²	43.7	16%	0.157	24%	0.24	C	C	.	.			trans	-97	113.8	172.9	-60.8	178.7	0	0	0	108.7	D133 S188 W214 R216	D133-L136 HydrophobicContact CB-CB 4.44Å; D133-L136 HydrophobicContact CB-CD1 3.92Å; D133-L136 HydrophobicContact CB-CG 3.96Å; D133-L136 PolarHBondContact O-N 2.62Å; L136-S188 WeakPolarHBondContact O-CB 3.38Å; L136-W214 HydrophobicContact CB-CB 4.45Å; L136-W214 HydrophobicContact CB-CE3 3.93Å; L136-W214 HydrophobicContact CD1-CB 3.87Å; L136-W214 HydrophobicContact CD1-CD2 4.33Å; L136-W214 HydrophobicContact CD1-CG 4.06Å; L136-W214 HydrophobicContact CD2-CB 4.14Å; L136-W214 HydrophobicContact CG-CB 4.37Å; L136-R216 HydrophobicContact CD2-CG 4.23Å
137	T	63.5	Low	75.2	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.025	26%	0.255	C	S	.	.			trans	-110.4	-23.6	-161.5	57.8	0	0	0	0	113.3	G187 S188 N215 C217 G223 C226	T137-G187 CarbonylContact O-C 3.57Å; T137-G187 WeakPolarHBondContact O-CA 3.27Å; T137-S188 PolarHBondContact O-N 2.9Å; T137-N215 PolarHBondContact N-O 3.44Å; T137-C217 PolarHBondContact OG1-N 2.68Å; T137-G223 WeakPolarHBondContact CG2-O 3.39Å; T137-C226 WeakPolarHBondContact CB-SG 3.39Å; T137-C226 PolarHBondContact OG1-SG 3.34Å
138	H	68.2	Low	75.4	Confident	30 Å²	30	46.3 Å²	46.3	14%	0.139	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.3	177	-51.5	130.3	0	0	0	111.2	T184 S185 N215 C226	H138-T184 HydrophobicContact CB-CG2 3.94Å; H138-S185 PolarHBondContact CD2-O 2.94Å; H138-N215 HydrophobicContact CB-CB 4.39Å; H138-N215 PolarHBondContact O-N 3.03Å; H138-C226 PolarHBondContact CE1-SG 2.94Å
139	V	78.4	Confident	75.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.3	169.6	179.5	0	0	0	0	108.5	L129 V141 T184 S185 I212 R213 W214	L129-V139 HydrophobicContact CB-CG2 4.38Å; L129-V139 HydrophobicContact CD1-CG1 3.71Å; V139-V141 HydrophobicContact CG1-CG2 4.48Å; V139-T184 CarbonylContact O-C 3.56Å; V139-T184 WeakPolarHBondContact O-CA 3.4Å; V139-T184 WeakPolarHBondContact O-CG2 3.37Å; V139-S185 PolarHBondContact N-OG 3.15Å; V139-S185 PolarHBondContact O-N 2.94Å; V139-I212 HydrophobicContact CG1-CG2 3.85Å; V139-R213 CarbonylContact C-O 3.45Å; V139-W214 HydrophobicContact CG2-CD2 4.15Å; V139-W214 HydrophobicContact CG2-CE3 3.7Å; V139-W214 HydrophobicContact CG2-CH2 3.24Å; V139-W214 HydrophobicContact CG2-CZ2 3.75Å; V139-W214 HydrophobicContact CG2-CZ3 3.22Å
140	T	83.4	Confident	76	Confident	15 Å²	15	56.3 Å²	56.3	9%	0.092	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.2	162.4	-63	0	0	0	0	110.2	K182 V183 T184 R213 N215	T140-K182 HydrophobicContact CG2-CB 4.04Å; T140-K182 HydrophobicContact CG2-CD 4.31Å; T140-V183 CarbonylContact C-O 3.49Å; T140-V183 WeakPolarHBondContact CA-O 3.27Å; T140-T184 PolarHBondContact OG1-OG1 3.27Å; T140-R213 PolarHBondContact N-O 3.46Å; T140-R213 PolarHBondContact O-N 3.26Å; T140-N215 PolarHBondContact OG1-ND2 3.27Å
141	V	88.1	Confident	76.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	166.6	-171.1	0	0	0	0	107.9	V139 I156 K182 V183 L190 I192 F210 I212	V139-V141 HydrophobicContact CG1-CG2 4.48Å; V141-I156 HydrophobicContact CG1-CD1 4.28Å; V141-I156 HydrophobicContact CG2-CG2 4.42Å; V141-K182 CarbonylContact O-C 3.56Å; V141-K182 VanDerWaalsContact O-CA 3.27Å; V141-K182 WeakPolarHBondContact O-CA 3.38Å; V141-V183 HydrophobicContact CB-CB 4.48Å; V141-V183 PolarHBondContact N-O 2.74Å; V141-V183 PolarHBondContact O-N 3.13Å; V141-L190 HydrophobicContact CG2-CD1 3.97Å; V141-L190 HydrophobicContact CG2-CD2 4.07Å; V141-I192 HydrophobicContact CG1-CD1 4.09Å; V141-I192 HydrophobicContact CG2-CD1 4.02Å; V141-F210 HydrophobicContact CG1-CB 3.82Å; V141-F210 HydrophobicContact CG1-CD2 3.8Å; V141-F210 HydrophobicContact CG1-CG 3.84Å; V141-I212 HydrophobicContact CB-CD1 4.28Å; V141-I212 HydrophobicContact CG1-CD1 4.02Å; V141-I212 HydrophobicContact CG2-CD1 3.97Å
142	E	88.1	Confident	77.3	Confident	38 Å²	38	57 Å²	57	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.4	179	-179.9	165.3	-141.8	0	0	109.7	V144 K182 F210 S211 R213	E142-V144 PolarHBondContact O-N 2.83Å; E142-K182 HydrophobicContact CB-CG 4.47Å; E142-K182 HydrophobicContact CG-CD 4.44Å; E142-K182 HydrophobicContact CG-CG 4.27Å; E142-K182 WeakPolarHBondContact OE1-CE 3.23Å; E142-K182 IonicContact OE1-NZ 2.78Å; E142-K182 PolarHBondContact OE1-NZ 3.38Å; E142-F210 WeakPolarHBondContact O-CA 3.33Å; E142-S211 PolarHBondContact N-O 2.81Å; E142-S211 PolarHBondContact O-N 2.96Å; E142-R213 IonicContact OE1-NH2 3.54Å; E142-R213 IonicContact OE2-CZ 3.52Å; E142-R213 IonicContact OE2-NE 3.67Å; E142-R213 PolarHBondContact OE2-NE 2.8Å; E142-R213 IonicContact OE2-NH2 2.73Å; E142-R213 PolarHBondContact OE2-NH2 2.82Å
143	I	89	Confident	78.6	Confident	30 Å²	30	51.4 Å²	51.4	15%	0.154	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	114.3	-175	-56.2	-173.9	0	0	0	109.3	L146 L173 P180 Q181 F210	I143-L146 HydrophobicContact CG2-CB 3.96Å; I143-L173 HydrophobicContact CD1-CD1 3.85Å; I143-L173 HydrophobicContact CD1-CD2 4.2Å; I143-P180 VanDerWaalsContact CD1-O 3.29Å; I143-P180 WeakPolarHBondContact CD1-O 3.48Å; I143-Q181 PolarHBondContact N-O 2.84Å; I143-F210 HydrophobicContact CB-CD1 4.38Å; I143-F210 HydrophobicContact CB-CE1 4.43Å; I143-F210 HydrophobicContact CD1-CE1 4.35Å; I143-F210 HydrophobicContact CG1-CD1 4.11Å; I143-F210 HydrophobicContact CG1-CE1 3.94Å; I143-F210 HydrophobicContact CG2-CD1 4.29Å; I143-F210 HydrophobicContact CG2-CE1 4.09Å
144	V	88.5	Confident	79.9	Confident	85 Å²	85	48 Å²	48	52%	0.515	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-37.9	-179	-165.6	0	0	0	0	111.3	E142 M209	E142-V144 PolarHBondContact O-N 2.83Å; V144-M209 HydrophobicContact CB-CE 4.07Å; V144-M209 HydrophobicContact CB-CG 4.4Å; V144-M209 WeakPolarHBondContact CB-O 3.35Å; V144-M209 HydrophobicContact CG1-CE 3.75Å; V144-M209 PolarHBondContact N-O 2.88Å
145	F	87.1	Confident	81.5	Confident	84 Å²	84	48.9 Å²	48.9	37%	0.368	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.3	173.9	174.2	-98.6	0	0	0	110.2	N147 E206 F208 M209	F145-N147 HydrophobicContact CE1-CB 3.86Å; F145-N147 HydrophobicContact CE2-CB 4.32Å; F145-N147 HydrophobicContact CZ-CB 3.53Å; F145-E206 WeakPolarHBondContact CE1-O 3.49Å; F145-F208 CarbonylContact O-C 3.51Å; F145-F208 VanDerWaalsContact O-CA 3.32Å; F145-F208 WeakPolarHBondContact O-CA 3.41Å; F145-M209 HydrophobicContact CB-CB 4.06Å; F145-M209 HydrophobicContact CB-CE 4.24Å; F145-M209 PolarHBondContact N-O 2.85Å; F145-M209 VanDerWaalsContact N-O 3.07Å; F145-M209 PolarHBondContact O-N 2.89Å
146	L	89.4	Confident	83	Confident	46 Å²	46	45.2 Å²	45.2	24%	0.241	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	126.3	179.5	-176.1	66.1	0	0	0	109.9	I143 L148 I154 L173 H179 F208	I143-L146 HydrophobicContact CG2-CB 3.96Å; L146-L148 HydrophobicContact CD1-CD1 3.95Å; L146-L148 HydrophobicContact CD1-CD2 4.29Å; L146-L148 HydrophobicContact CD1-CG 3.78Å; L146-L148 HydrophobicContact CG-CD1 4.4Å; L146-L148 HydrophobicContact CG-CG 4.31Å; L146-I154 HydrophobicContact CD1-CD1 3.75Å; L146-L173 HydrophobicContact CD1-CD1 4.4Å; L146-L173 HydrophobicContact CD2-CB 4.49Å; L146-L173 HydrophobicContact CD2-CD1 4.15Å; L146-H179 VanDerWaalsContact CD2-CD2 3.42Å; L146-H179 WeakPolarHBondContact CD2-CD2 3.15Å; L146-F208 HydrophobicContact CD1-CB 3.77Å
147	N	87.1	Confident	84.2	Confident	104 Å²	104	44 Å²	44	56%	0.556	21%	0.213	S	C	*	.			trans	-149.4	75	-178.1	-178.1	50.5	0	0	0	109.8	F145 V207	F145-N147 HydrophobicContact CE1-CB 3.86Å; F145-N147 HydrophobicContact CE2-CB 4.32Å; F145-N147 HydrophobicContact CZ-CB 3.53Å; N147-V207 PolarHBondContact N-O 2.83Å
148	L	85.6	Confident	84.9	Confident	15 Å²	15	45.3 Å²	45.3	8%	0.079	22%	0.219	C	C	.	.			trans	-83.4	141.8	-177.7	-66.8	168.4	0	0	0	112.3	L146 Q152 I154 L173 F175 F194 V207	L146-L148 HydrophobicContact CD1-CD1 3.95Å; L146-L148 HydrophobicContact CD1-CD2 4.29Å; L146-L148 HydrophobicContact CD1-CG 3.78Å; L146-L148 HydrophobicContact CG-CD1 4.4Å; L146-L148 HydrophobicContact CG-CG 4.31Å; L148-Q152 HydrophobicContact CB-CB 4.32Å; L148-Q152 HydrophobicContact CD2-CB 3.76Å; L148-I154 HydrophobicContact CD2-CD1 3.98Å; L148-I154 HydrophobicContact CD2-CG1 4.07Å; L148-L173 HydrophobicContact CD1-CB 3.96Å; L148-F175 VanDerWaalsContact O-CD2 3.25Å; L148-F175 WeakPolarHBondContact O-CD2 3.46Å; L148-F194 HydrophobicContact CD2-CE2 4.27Å; L148-V207 HydrophobicContact CD2-CG1 3.85Å
149	S	85	Confident	84.8	Confident	38 Å²	38	44.3 Å²	44.3	27%	0.266	22%	0.216	S	C	.	.			trans	-76.7	166.8	161.3	-67.3	0	0	0	0	112.5	N151 Q152 E198	S149-N151 PolarHBondContact O-N 2.89Å; S149-Q152 PolarHBondContact O-N 3.17Å; S149-E198 WeakPolarHBondContact CB-OE1 3.18Å; S149-E198 WeakPolarHBondContact CB-OE2 3.36Å; S149-E198 VanDerWaalsContact OG-CD 3.24Å; S149-E198 PolarHBondContact OG-OE1 2.98Å; S149-E198 PolarHBondContact OG-OE2 3.29Å
150	R	81.7	Confident	83.8	Confident	206 Å²	206	48.4 Å²	48.4	78%	0.777	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.9	175.6	-72.9	-173.5	179.5	-157.5	-0.2	114.1	F175	R150-F175 HydrophobicContact CG-CD1 3.63Å; R150-F175 HydrophobicContact CG-CE1 3.98Å; R150-F175 HydrophobicContact CG-CG 4.17Å
151	N	82.8	Confident	82	Confident	88 Å²	88	56 Å²	56	47%	0.471	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	11.5	-178.6	-71.5	24.5	0	0	0	113.1	S149 N197 E198	S149-N151 PolarHBondContact O-N 2.89Å; N151-N197 HydrophobicContact CB-CB 4.13Å; N151-N197 WeakPolarHBondContact CB-O 3.44Å; N151-N197 PolarHBondContact ND2-O 3.26Å; N151-N197 PolarHBondContact O-N 2.99Å; N151-E198 HydrophobicContact CB-CG 3.81Å
152	Q	85.5	Confident	79.4	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.6	178.5	-73.9	166.9	2.6	0	0	110.7	L148 S149 F194 L195 N196 E198	L148-Q152 HydrophobicContact CB-CB 4.32Å; L148-Q152 HydrophobicContact CD2-CB 3.76Å; S149-Q152 PolarHBondContact O-N 3.17Å; Q152-F194 HydrophobicContact CB-CE2 4.15Å; Q152-F194 HydrophobicContact CG-CE2 4.15Å; Q152-F194 HydrophobicContact CG-CZ 4.23Å; Q152-L195 WeakPolarHBondContact CA-O 3.36Å; Q152-N196 HydrophobicContact CG-CB 4.14Å; Q152-N196 WeakPolarHBondContact CG-OD1 3.29Å; Q152-N196 PolarHBondContact NE2-OD1 3.28Å; Q152-E198 PolarHBondContact NE2-OE2 3.04Å; Q152-E198 VanDerWaalsContact NE2-OE2 3.11Å
153	T	88.6	Confident	76.7	Confident	27 Å²	27	69.3 Å²	69.3	17%	0.166	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.7	178.8	-66	0	0	0	0	109.6	V172 L173 R174 L195	T153-V172 HydrophobicContact CG2-CG1 3.78Å; T153-L173 WeakPolarHBondContact CA-O 3.27Å; T153-R174 HydrophobicContact CG2-CG 4.12Å; T153-L195 PolarHBondContact N-O 2.81Å; T153-L195 PolarHBondContact O-N 2.03Å
154	I	89.8	Confident	73.8	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.9	168.5	-56.6	166.1	0	0	0	107.7	L146 L148 I156 V172 L173 I192 T193 F194 F208 F210	L146-I154 HydrophobicContact CD1-CD1 3.75Å; L148-I154 HydrophobicContact CD2-CD1 3.98Å; L148-I154 HydrophobicContact CD2-CG1 4.07Å; I154-I156 HydrophobicContact CG2-CG1 4.29Å; I154-V172 CarbonylContact O-C 2.97Å; I154-V172 WeakPolarHBondContact O-CA 3.19Å; I154-L173 HydrophobicContact CB-CB 4.16Å; I154-L173 HydrophobicContact CB-CD1 4.22Å; I154-L173 HydrophobicContact CB-CG 4.42Å; I154-L173 HydrophobicContact CD1-CD1 4.24Å; I154-L173 HydrophobicContact CG2-CD1 4.41Å; I154-L173 PolarHBondContact N-O 2.95Å; I154-L173 PolarHBondContact O-N 3.5Å; I154-I192 HydrophobicContact CG2-CG2 3.86Å; I154-T193 CarbonylContact C-O 3.53Å; I154-T193 WeakPolarHBondContact CA-O 3.32Å; I154-F194 HydrophobicContact CG1-CD2 3.79Å; I154-F208 HydrophobicContact CD1-CB 4.07Å; I154-F208 HydrophobicContact CD1-CD1 3.33Å; I154-F208 HydrophobicContact CD1-CD2 4.27Å; I154-F208 HydrophobicContact CD1-CE1 3.65Å; I154-F208 HydrophobicContact CD1-CG 3.66Å; I154-F208 HydrophobicContact CD1-CZ 4.26Å; I154-F208 HydrophobicContact CG1-CD1 4.19Å; I154-F208 HydrophobicContact CG1-CE1 4.09Å; I154-F210 HydrophobicContact CD1-CE2 4.36Å; I154-F210 HydrophobicContact CD1-CZ 3.72Å; I154-F210 HydrophobicContact CG2-CE2 4.1Å; I154-F210 HydrophobicContact CG2-CZ 4.23Å
155	R	88.7	Confident	71.1	Confident	108 Å²	108	76 Å²	76	41%	0.408	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.7	165.2	-77.1	177.5	150.3	147.6	-7.6	109.5	D169 V172 I192 T193	R155-D169 WeakPolarHBondContact CD-OD2 3.46Å; R155-D169 IonicContact CZ-OD2 3.89Å; R155-D169 IonicContact NE-OD1 3.8Å; R155-D169 IonicContact NE-OD2 2.66Å; R155-D169 PolarHBondContact NE-OD2 3.16Å; R155-D169 IonicContact NH2-OD2 3.67Å; R155-V172 HydrophobicContact CG-CG1 4.33Å; R155-V172 HydrophobicContact CG-CG2 4.38Å; R155-I192 WeakPolarHBondContact O-CA 3.49Å; R155-T193 PolarHBondContact N-O 2.81Å; R155-T193 PolarHBondContact O-N 3.09Å
156	I	88	Confident	69.1	Low	0 Å²	0	81.3 Å²	81.3	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.1	170.1	-59.1	178.7	0	0	0	104.4	V141 I154 D169 L170 A171 L173 V183 L190 V191 I192 F210	V141-I156 HydrophobicContact CG1-CD1 4.28Å; V141-I156 HydrophobicContact CG2-CG2 4.42Å; I154-I156 HydrophobicContact CG2-CG1 4.29Å; I156-D169 CarbonylContact O-C 3.31Å; I156-L170 HydrophobicContact CG2-CB 4.44Å; I156-L170 WeakPolarHBondContact O-CA 3.47Å; I156-L170 WeakPolarHBondContact O-CB 3.34Å; I156-L170 PolarHBondContact O-N 3.13Å; I156-A171 HydrophobicContact CB-CB 4.37Å; I156-A171 PolarHBondContact N-O 2.96Å; I156-A171 PolarHBondContact O-N 2.96Å; I156-L173 HydrophobicContact CD1-CD1 4.38Å; I156-V183 HydrophobicContact CD1-CB 4.49Å; I156-V183 HydrophobicContact CD1-CG2 4.14Å; I156-V183 HydrophobicContact CG2-CB 4.42Å; I156-V183 HydrophobicContact CG2-CG1 3.88Å; I156-L190 HydrophobicContact CG2-CD1 3.83Å; I156-L190 HydrophobicContact CG2-CD2 3.87Å; I156-L190 HydrophobicContact CG2-CG 4.16Å; I156-V191 CarbonylContact C-O 3.54Å; I156-V191 WeakPolarHBondContact CA-O 3.44Å; I156-I192 HydrophobicContact CG1-CG1 4.41Å; I156-I192 HydrophobicContact CG1-CG2 4.42Å; I156-F210 HydrophobicContact CD1-CE2 4.38Å
157	S	82.6	Confident	67.4	Low	4 Å²	4	81.5 Å²	81.5	3%	0.028	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.6	-164.1	-32.6	0	0	0	0	111.1	S167 E168 D169 V191	S157-S167 WeakPolarHBondContact CB-OG 3.35Å; S157-E168 CarbonylContact C-O 3.29Å; S157-E168 WeakPolarHBondContact CA-O 3.5Å; S157-E168 WeakPolarHBondContact CB-O 3.46Å; S157-D169 PolarHBondContact OG-OD1 3.49Å; S157-V191 PolarHBondContact N-O 2.61Å; S157-V191 PolarHBondContact O-N 3.1Å
158	E	77.6	Confident	66.2	Low	32 Å²	32	81.5 Å²	81.5	15%	0.15	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	143.9	-178.1	-101.1	-54.4	139.8	0	0	114.1	N160 S167 E168 L170 S185 Y186	E158-N160 PolarHBondContact O-N 2.79Å; E158-S167 VanDerWaalsContact O-CB 3.27Å; E158-S167 WeakPolarHBondContact O-CB 3.43Å; E158-E168 PolarHBondContact N-O 2.84Å; E158-L170 HydrophobicContact CG-CD1 4.33Å; E158-L170 HydrophobicContact CG-CD2 4.12Å; E158-L170 HydrophobicContact CG-CG 4.32Å; E158-S185 VanDerWaalsContact OE1-CA 3.26Å; E158-S185 WeakPolarHBondContact OE1-CA 3Å; E158-S185 WeakPolarHBondContact OE1-CB 3.02Å; E158-Y186 HydrophobicContact CG-CD2 3.89Å; E158-Y186 HydrophobicContact CG-CE2 4.48Å; E158-Y186 HydrophobicContact CG-CG 4.28Å; E158-Y186 PolarHBondContact OE1-N 3.05Å
159	G	66	Low	65.6	Low	8 Å²	8	83.3 Å²	83.3	8%	0.082	41%	0.405	C	S	.	.			trans	-87.1	65.6	-169.2	0	0	0	0	0	114.1	S189	G159-S189 WeakPolarHBondContact CA-OG 3.42Å; G159-S189 PolarHBondContact N-O 3.23Å; G159-S189 WeakPolarHBondContact O-CB 3.22Å; G159-S189 PolarHBondContact O-OG 3.07Å
160	N	57.3	Low	65	Low	86 Å²	86	83 Å²	83	46%	0.46	40%	0.4	S	S	.	.			trans	-62.4	139.1	-175.7	-158.4	-17.5	0	0	0	112.8	E158	E158-N160 PolarHBondContact O-N 2.79Å
161	K	45.3	Very low	65.1	Low	175 Å²	175	73.8 Å²	73.8	76%	0.761	37%	0.367	S	S	*	.	S	Bend	trans	-79.7	-16.2	-176.6	-75.4	-178.3	178.2	172.6	0	114.1
162	N	34.2	Very low	65.3	Low	111 Å²	111	71.9 Å²	71.9	59%	0.594	36%	0.359	S	S	*	.	S	Bend	trans	-108.1	125.4	178.7	-68.2	-16.2	0	0	0	109.8	C164	N162-C164 PolarHBondContact O-N 2.77Å
163	Y	31.6	Very low	65.5	Low	206 Å²	206	71.8 Å²	71.8	81%	0.808	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	9.8	-173.2	-110.6	-95.8	0	0	0	115.9
164	C	28.2	Very low	65.5	Low	121 Å²	121	77 Å²	77	82%	0.818	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	15.5	-161.4	-57.3	0	0	0	0	114.9	N162	N162-C164 PolarHBondContact O-N 2.77Å
165	M	31.5	Very low	65.3	Low	135 Å²	135	82.9 Å²	82.9	67%	0.665	40%	0.401	S	S	*	.	S	Bend	trans	-127.5	145.4	172.9	-65.6	-177.2	76.1	0	0	109.6	S167	M165-S167 PolarHBondContact O-N 2.87Å
166	E	43.9	Very low	64.5	Low	195 Å²	195	81.3 Å²	81.3	91%	0.911	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.6	127.1	176.6	-59.5	-169.1	152.3	0	0	110
167	S	54.5	Low	63.8	Low	50 Å²	50	84 Å²	84	35%	0.35	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-84.9	126.9	175.6	54	0	0	0	0	110	S157 E158 M165 D169	S157-S167 WeakPolarHBondContact CB-OG 3.35Å; E158-S167 VanDerWaalsContact O-CB 3.27Å; E158-S167 WeakPolarHBondContact O-CB 3.43Å; M165-S167 PolarHBondContact O-N 2.87Å; S167-D169 PolarHBondContact O-N 2.78Å
168	E	62.5	Low	63.3	Low	105 Å²	105	93.6 Å²	93.6	49%	0.491	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-55	128	173.4	-69.2	-175.8	-170.4	0	0	111.2	S157 E158 L170	S157-E168 CarbonylContact C-O 3.29Å; S157-E168 WeakPolarHBondContact CA-O 3.5Å; S157-E168 WeakPolarHBondContact CB-O 3.46Å; E158-E168 PolarHBondContact N-O 2.84Å; E168-L170 PolarHBondContact O-N 2.86Å
169	D	71.5	Confident	63.1	Low	53 Å²	53	95.2 Å²	95.2	28%	0.283	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	100.6	173	-85.1	-22.4	0	0	0	109.8	R155 I156 S157 S167 A171 V172	R155-D169 WeakPolarHBondContact CD-OD2 3.46Å; R155-D169 IonicContact CZ-OD2 3.89Å; R155-D169 IonicContact NE-OD1 3.8Å; R155-D169 IonicContact NE-OD2 2.66Å; R155-D169 PolarHBondContact NE-OD2 3.16Å; R155-D169 IonicContact NH2-OD2 3.67Å; I156-D169 CarbonylContact O-C 3.31Å; S157-D169 PolarHBondContact OG-OD1 3.49Å; S167-D169 PolarHBondContact O-N 2.78Å; D169-A171 PolarHBondContact O-N 3.03Å; D169-V172 HydrophobicContact CB-CG2 3.76Å; D169-V172 WeakPolarHBondContact OD2-CG2 3.23Å
170	L	73.9	Confident	63.6	Low	32 Å²	32	97.6 Å²	97.6	17%	0.168	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	-33.9	170.8	-62.2	171.9	0	0	0	112.5	I156 E158 E168 V183 Y186 L190	I156-L170 HydrophobicContact CG2-CB 4.44Å; I156-L170 WeakPolarHBondContact O-CA 3.47Å; I156-L170 WeakPolarHBondContact O-CB 3.34Å; I156-L170 PolarHBondContact O-N 3.13Å; E158-L170 HydrophobicContact CG-CD1 4.33Å; E158-L170 HydrophobicContact CG-CD2 4.12Å; E158-L170 HydrophobicContact CG-CG 4.32Å; E168-L170 PolarHBondContact O-N 2.86Å; L170-V183 HydrophobicContact CB-CG1 3.73Å; L170-V183 HydrophobicContact CD1-CG1 4.44Å; L170-Y186 HydrophobicContact CD2-CD1 3.87Å; L170-Y186 HydrophobicContact CD2-CD2 4.13Å; L170-Y186 HydrophobicContact CD2-CE1 3.33Å; L170-Y186 HydrophobicContact CD2-CE2 3.66Å; L170-Y186 HydrophobicContact CD2-CG 4.24Å; L170-L190 HydrophobicContact CD1-CD1 3.7Å; L170-L190 HydrophobicContact CD1-CG 4.31Å
171	A	83.4	Confident	64.9	Low	11 Å²	11	100.5 Å²	100.5	9%	0.091	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	144.4	171.4	0	0	0	0	0	112.1	I156 D169 P180 V183	I156-A171 HydrophobicContact CB-CB 4.37Å; I156-A171 PolarHBondContact N-O 2.96Å; I156-A171 PolarHBondContact O-N 2.96Å; D169-A171 PolarHBondContact O-N 3.03Å; A171-P180 HydrophobicContact CB-CG 4.22Å; A171-V183 HydrophobicContact CB-CG1 4.23Å; A171-V183 HydrophobicContact CB-CG2 3.7Å
172	V	87.3	Confident	66.8	Low	49 Å²	49	97.1 Å²	97.1	30%	0.297	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.9	171.6	-168.5	0	0	0	0	109.7	T153 I154 R155 D169 R174	T153-V172 HydrophobicContact CG2-CG1 3.78Å; I154-V172 CarbonylContact O-C 2.97Å; I154-V172 WeakPolarHBondContact O-CA 3.19Å; R155-V172 HydrophobicContact CG-CG1 4.33Å; R155-V172 HydrophobicContact CG-CG2 4.38Å; D169-V172 HydrophobicContact CB-CG2 3.76Å; D169-V172 WeakPolarHBondContact OD2-CG2 3.23Å; V172-R174 HydrophobicContact CG1-CG 4.12Å
173	L	90.1	Very high	69.1	Low	0 Å²	0	92.3 Å²	92.3	0%	0	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.5	-179.4	-45.9	175.3	0	0	0	109.4	I143 L146 L148 T153 I154 I156 H179 F210	I143-L173 HydrophobicContact CD1-CD1 3.85Å; I143-L173 HydrophobicContact CD1-CD2 4.2Å; L146-L173 HydrophobicContact CD1-CD1 4.4Å; L146-L173 HydrophobicContact CD2-CB 4.49Å; L146-L173 HydrophobicContact CD2-CD1 4.15Å; L148-L173 HydrophobicContact CD1-CB 3.96Å; T153-L173 WeakPolarHBondContact CA-O 3.27Å; I154-L173 HydrophobicContact CB-CB 4.16Å; I154-L173 HydrophobicContact CB-CD1 4.22Å; I154-L173 HydrophobicContact CB-CG 4.42Å; I154-L173 HydrophobicContact CD1-CD1 4.24Å; I154-L173 HydrophobicContact CG2-CD1 4.41Å; I154-L173 PolarHBondContact N-O 2.95Å; I154-L173 PolarHBondContact O-N 3.5Å; I156-L173 HydrophobicContact CD1-CD1 4.38Å; L173-H179 HydrophobicContact CD2-CB 3.86Å; L173-F210 HydrophobicContact CD1-CE1 4.27Å; L173-F210 HydrophobicContact CD1-CZ 3.75Å
174	R	88.5	Confident	71.3	Confident	137 Å²	137	85.3 Å²	85.3	52%	0.517	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.6	-176.5	-56.9	-173	-172.3	-144.5	7.9	109.8	T153 V172 G176 A177 H179	T153-R174 HydrophobicContact CG2-CG 4.12Å; V172-R174 HydrophobicContact CG1-CG 4.12Å; R174-G176 PolarHBondContact O-N 3.48Å; R174-A177 PolarHBondContact O-N 3.11Å; R174-H179 PolarHBondContact N-CE1 2.99Å; R174-H179 PolarHBondContact O-CE1 2.89Å; R174-H179 PolarHBondContact O-NE2 3.34Å
175	F	84.3	Confident	73.7	Confident	122 Å²	122	79.7 Å²	79.7	54%	0.535	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	126.7	178.5	176	-96.9	0	0	0	113.1	L148 R150 A177	L148-F175 VanDerWaalsContact O-CD2 3.25Å; L148-F175 WeakPolarHBondContact O-CD2 3.46Å; R150-F175 HydrophobicContact CG-CD1 3.63Å; R150-F175 HydrophobicContact CG-CE1 3.98Å; R150-F175 HydrophobicContact CG-CG 4.17Å; F175-A177 PolarHBondContact O-N 2.91Å
176	G	71.7	Confident	75.3	Confident	75 Å²	75	75 Å²	75	77%	0.773	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-10.8	173.2	0	0	0	0	0	116.4	R174	R174-G176 PolarHBondContact O-N 3.48Å
177	A	73.5	Confident	76.4	Confident	58 Å²	58	66.4 Å²	66.4	48%	0.479	35%	0.353	S	S	.	.	S	Bend	trans	-80.9	159.2	175.2	0	0	0	0	0	112.3	R174 F175 H179	R174-A177 PolarHBondContact O-N 3.11Å; F175-A177 PolarHBondContact O-N 2.91Å; A177-H179 PolarHBondContact O-CE1 2.81Å
178	K	72	Confident	77.1	Confident	205 Å²	205	65.3 Å²	65.3	89%	0.891	35%	0.346	S	S	*	.			trans	-71.1	146.8	166.8	-73.4	-179.3	179.9	173.4	0	109.6
179	H	74.8	Confident	77.7	Confident	66 Å²	66	61.3 Å²	61.3	31%	0.306	33%	0.329	S	S	.	.			trans	-132.7	145.3	-176.8	-61.1	-27.9	0	0	0	111.8	L146 L173 R174 A177	L146-H179 VanDerWaalsContact CD2-CD2 3.42Å; L146-H179 WeakPolarHBondContact CD2-CD2 3.15Å; L173-H179 HydrophobicContact CD2-CB 3.86Å; R174-H179 PolarHBondContact N-CE1 2.99Å; R174-H179 PolarHBondContact O-CE1 2.89Å; R174-H179 PolarHBondContact O-NE2 3.34Å; A177-H179 PolarHBondContact O-CE1 2.81Å
180	P	76	Confident	78.1	Confident	57 Å²	57	58.8 Å²	58.8	37%	0.37	32%	0.316	S	S	.	.			trans	-70.3	137.4	170.5	31	-34.7	0	0	0	110.2	I143 A171 K182 V183	I143-P180 VanDerWaalsContact CD1-O 3.29Å; I143-P180 WeakPolarHBondContact CD1-O 3.48Å; A171-P180 HydrophobicContact CB-CG 4.22Å; P180-K182 PolarHBondContact O-N 2.9Å; P180-V183 HydrophobicContact CB-CG2 4.35Å; P180-V183 HydrophobicContact CG-CG2 3.63Å
181	Q	83.8	Confident	78.5	Confident	147 Å²	147	58.4 Å²	58.4	69%	0.687	32%	0.315	S	S	*	.	S	Bend	trans	-71.3	-23.2	177	-165.3	175.7	22	0	0	112.5	I143	I143-Q181 PolarHBondContact N-O 2.84Å
182	K	84.5	Confident	78.7	Confident	105 Å²	105	57.9 Å²	57.9	46%	0.457	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139	176	-50.6	-167.9	-166.9	-150.5	0	109.9	T140 V141 E142 P180	T140-K182 HydrophobicContact CG2-CB 4.04Å; T140-K182 HydrophobicContact CG2-CD 4.31Å; V141-K182 CarbonylContact O-C 3.56Å; V141-K182 VanDerWaalsContact O-CA 3.27Å; V141-K182 WeakPolarHBondContact O-CA 3.38Å; E142-K182 HydrophobicContact CB-CG 4.47Å; E142-K182 HydrophobicContact CG-CD 4.44Å; E142-K182 HydrophobicContact CG-CG 4.27Å; E142-K182 WeakPolarHBondContact OE1-CE 3.23Å; E142-K182 IonicContact OE1-NZ 2.78Å; E142-K182 PolarHBondContact OE1-NZ 3.38Å; P180-K182 PolarHBondContact O-N 2.9Å
183	V	83.2	Confident	78.7	Confident	9 Å²	9	56.7 Å²	56.7	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.7	172.2	-175.1	0	0	0	0	107.3	T140 V141 I156 L170 A171 P180	T140-V183 CarbonylContact C-O 3.49Å; T140-V183 WeakPolarHBondContact CA-O 3.27Å; V141-V183 HydrophobicContact CB-CB 4.48Å; V141-V183 PolarHBondContact N-O 2.74Å; V141-V183 PolarHBondContact O-N 3.13Å; I156-V183 HydrophobicContact CD1-CB 4.49Å; I156-V183 HydrophobicContact CD1-CG2 4.14Å; I156-V183 HydrophobicContact CG2-CB 4.42Å; I156-V183 HydrophobicContact CG2-CG1 3.88Å; L170-V183 HydrophobicContact CB-CG1 3.73Å; L170-V183 HydrophobicContact CD1-CG1 4.44Å; A171-V183 HydrophobicContact CB-CG1 4.23Å; A171-V183 HydrophobicContact CB-CG2 3.7Å; P180-V183 HydrophobicContact CB-CG2 4.35Å; P180-V183 HydrophobicContact CG-CG2 3.63Å
184	T	79	Confident	78.5	Confident	59 Å²	59	56.7 Å²	56.7	36%	0.362	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.6	-178.8	-57.9	0	0	0	0	110.2	H138 V139 T140	H138-T184 HydrophobicContact CB-CG2 3.94Å; V139-T184 CarbonylContact O-C 3.56Å; V139-T184 WeakPolarHBondContact O-CA 3.4Å; V139-T184 WeakPolarHBondContact O-CG2 3.37Å; T140-T184 PolarHBondContact OG1-OG1 3.27Å
185	S	76.8	Confident	78.4	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.028	29%	0.29	C	S	.	.			trans	-71.8	156.9	179	66	0	0	0	0	112.5	H138 V139 E158 G187	H138-S185 PolarHBondContact CD2-O 2.94Å; V139-S185 PolarHBondContact N-OG 3.15Å; V139-S185 PolarHBondContact O-N 2.94Å; E158-S185 VanDerWaalsContact OE1-CA 3.26Å; E158-S185 WeakPolarHBondContact OE1-CA 3Å; E158-S185 WeakPolarHBondContact OE1-CB 3.02Å; S185-G187 WeakPolarHBondContact CB-O 3.43Å; S185-G187 PolarHBondContact OG-O 3.39Å
186	Y	66.6	Low	78.3	Confident	37 Å²	37	46.9 Å²	46.9	15%	0.145	27%	0.266	C	S	.	.	S	Bend	trans	-85.3	-17.6	175	-51.3	-18.1	0	0	0	111.7	E158 L170 P254 Q255	E158-Y186 HydrophobicContact CG-CD2 3.89Å; E158-Y186 HydrophobicContact CG-CE2 4.48Å; E158-Y186 HydrophobicContact CG-CG 4.28Å; E158-Y186 PolarHBondContact OE1-N 3.05Å; L170-Y186 HydrophobicContact CD2-CD1 3.87Å; L170-Y186 HydrophobicContact CD2-CD2 4.13Å; L170-Y186 HydrophobicContact CD2-CE1 3.33Å; L170-Y186 HydrophobicContact CD2-CE2 3.66Å; L170-Y186 HydrophobicContact CD2-CG 4.24Å; Y186-P254 HydrophobicContact CD1-CB 3.7Å; Y186-P254 HydrophobicContact CD1-CG 3.62Å; Y186-P254 HydrophobicContact CE1-CB 3.4Å; Y186-P254 HydrophobicContact CE1-CG 3.62Å; Y186-P254 HydrophobicContact CG-CB 4.41Å; Y186-Q255 PolarHBondContact O-NE2 2.87Å
187	G	66.2	Low	78.6	Confident	13 Å²	13	48.9 Å²	48.9	13%	0.134	26%	0.259	C	S	.	.	S	Bend	trans	-144.5	-171.7	176.1	0	0	0	0	0	113.8	T137 S185 S189	T137-G187 CarbonylContact O-C 3.57Å; T137-G187 WeakPolarHBondContact O-CA 3.27Å; S185-G187 WeakPolarHBondContact CB-O 3.43Å; S185-G187 PolarHBondContact OG-O 3.39Å; G187-S189 PolarHBondContact O-N 2.04Å
188	S	69.7	Low	78.4	Confident	27 Å²	27	49.6 Å²	49.6	19%	0.189	25%	0.253	C	S	.	.	S	Bend	trans	-77.9	21.9	-173.2	66.1	0	0	0	0	115.4	S131 L136 T137	S131-S188 PolarHBondContact N-O 3.26Å; L136-S188 WeakPolarHBondContact O-CB 3.38Å; T137-S188 PolarHBondContact O-N 2.9Å
189	S	74.8	Confident	77.9	Confident	21 Å²	21	47.6 Å²	47.6	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145.1	-173	-165.2	0	0	0	0	109.9	L129 G159 G187	L129-S189 CarbonylContact O-C 3.54Å; L129-S189 VanDerWaalsContact O-CA 3.22Å; L129-S189 WeakPolarHBondContact O-CA 2.99Å; L129-S189 PolarHBondContact O-OG 3.01Å; G159-S189 WeakPolarHBondContact CA-OG 3.42Å; G159-S189 PolarHBondContact N-O 3.23Å; G159-S189 WeakPolarHBondContact O-CB 3.22Å; G159-S189 PolarHBondContact O-OG 3.07Å; G187-S189 PolarHBondContact O-N 2.04Å
190	L	80.5	Confident	77	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	142.8	178.1	179.5	152.8	0	0	0	110.4	L129 V141 I156 L170 I192	L129-L190 HydrophobicContact CB-CB 4.29Å; L129-L190 WeakPolarHBondContact CB-O 3.42Å; L129-L190 HydrophobicContact CD1-CB 4.33Å; L129-L190 HydrophobicContact CD1-CD2 3.65Å; L129-L190 HydrophobicContact CG-CD2 4.31Å; L129-L190 PolarHBondContact N-O 3.13Å; L129-L190 PolarHBondContact O-N 3.28Å; V141-L190 HydrophobicContact CG2-CD1 3.97Å; V141-L190 HydrophobicContact CG2-CD2 4.07Å; I156-L190 HydrophobicContact CG2-CD1 3.83Å; I156-L190 HydrophobicContact CG2-CD2 3.87Å; I156-L190 HydrophobicContact CG2-CG 4.16Å; L170-L190 HydrophobicContact CD1-CD1 3.7Å; L170-L190 HydrophobicContact CD1-CG 4.31Å; L190-I192 HydrophobicContact CD2-CD1 4.05Å; L190-I192 HydrophobicContact CD2-CG1 3.42Å; L190-I192 VanDerWaalsContact CD2-CG1 3.42Å
191	V	82.6	Confident	75.7	Confident	24 Å²	24	54.5 Å²	54.5	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.1	176.1	178.2	0	0	0	0	110.4	Q126 W127 I156 S157	Q126-V191 HydrophobicContact CG-CG1 3.85Å; W127-V191 WeakPolarHBondContact O-CA 3.34Å; I156-V191 CarbonylContact C-O 3.54Å; I156-V191 WeakPolarHBondContact CA-O 3.44Å; S157-V191 PolarHBondContact N-O 2.61Å; S157-V191 PolarHBondContact O-N 3.1Å
192	I	87.1	Confident	74.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.5	169.8	-54.5	-175.9	0	0	0	108.3	I116 Q126 W127 L129 V141 I154 R155 I156 L190 F210 I212	I116-I192 HydrophobicContact CD1-CD1 3.99Å; Q126-I192 WeakPolarHBondContact CA-O 3.49Å; W127-I192 HydrophobicContact CB-CB 4.45Å; W127-I192 HydrophobicContact CE3-CB 4.34Å; W127-I192 HydrophobicContact CE3-CG2 4.24Å; W127-I192 PolarHBondContact N-O 3.01Å; W127-I192 PolarHBondContact O-N 2.92Å; L129-I192 HydrophobicContact CD1-CD1 4.32Å; V141-I192 HydrophobicContact CG1-CD1 4.09Å; V141-I192 HydrophobicContact CG2-CD1 4.02Å; I154-I192 HydrophobicContact CG2-CG2 3.86Å; R155-I192 WeakPolarHBondContact O-CA 3.49Å; I156-I192 HydrophobicContact CG1-CG1 4.41Å; I156-I192 HydrophobicContact CG1-CG2 4.42Å; L190-I192 HydrophobicContact CD2-CD1 4.05Å; L190-I192 HydrophobicContact CD2-CG1 3.42Å; L190-I192 VanDerWaalsContact CD2-CG1 3.42Å; I192-F210 HydrophobicContact CD1-CD2 3.97Å; I192-F210 HydrophobicContact CD1-CE2 4.4Å; I192-F210 HydrophobicContact CG2-CD2 4.48Å; I192-F210 HydrophobicContact CG2-CE2 4.06Å; I192-I212 HydrophobicContact CD1-CD1 4.36Å
193	T	86.1	Confident	73.1	Confident	24 Å²	24	55.1 Å²	55.1	15%	0.147	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.1	-177.9	-57.6	0	0	0	0	110.1	I154 R155 L195	I154-T193 CarbonylContact C-O 3.53Å; I154-T193 WeakPolarHBondContact CA-O 3.32Å; R155-T193 PolarHBondContact N-O 2.81Å; R155-T193 PolarHBondContact O-N 3.09Å; T193-L195 HydrophobicContact CG2-CG 4.34Å
194	F	87.6	Confident	72.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.9	172.9	175.1	-125	0	0	0	110.4	A118 M122 I124 A125 W127 L148 Q152 I154 N196 V207 F208	A118-F194 HydrophobicContact CB-CD1 3.8Å; A118-F194 HydrophobicContact CB-CE1 4.01Å; A118-F194 HydrophobicContact CB-CG 4.33Å; M122-F194 HydrophobicContact CB-CD1 4.19Å; M122-F194 HydrophobicContact CB-CE1 4.08Å; I124-F194 WeakPolarHBondContact CA-O 3.45Å; A125-F194 PolarHBondContact N-O 2.89Å; A125-F194 VanDerWaalsContact N-O 3.09Å; A125-F194 PolarHBondContact O-N 2.89Å; W127-F194 HydrophobicContact CZ3-CB 4.05Å; L148-F194 HydrophobicContact CD2-CE2 4.27Å; Q152-F194 HydrophobicContact CB-CE2 4.15Å; Q152-F194 HydrophobicContact CG-CE2 4.15Å; Q152-F194 HydrophobicContact CG-CZ 4.23Å; I154-F194 HydrophobicContact CG1-CD2 3.79Å; F194-N196 HydrophobicContact CE1-CB 3.93Å; F194-N196 HydrophobicContact CE2-CB 4.43Å; F194-N196 HydrophobicContact CZ-CB 3.78Å; F194-V207 HydrophobicContact CE2-CG1 3.94Å; F194-V207 HydrophobicContact CZ-CB 4.38Å; F194-V207 HydrophobicContact CZ-CG1 3.98Å; F194-V207 HydrophobicContact CZ-CG2 4.34Å; F194-F208 HydrophobicContact CB-CE1 3.96Å; F194-F208 HydrophobicContact CB-CZ 4.4Å; F194-F208 HydrophobicContact CD1-CE1 4.45Å; F194-F208 HydrophobicContact CD2-CD1 4.48Å; F194-F208 AromaticContact CD2-CE1 4Å; F194-F208 HydrophobicContact CD2-CE1 4Å; F194-F208 AromaticContact CG-CE1 3.89Å; F194-F208 HydrophobicContact CG-CE1 3.89Å
195	L	85.3	Confident	72.2	Confident	47 Å²	47	58.6 Å²	58.6	25%	0.246	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.4	179.2	-68.7	160	0	0	0	108.9	I124 Q152 T153 T193	I124-L195 HydrophobicContact CD1-CD2 4.35Å; I124-L195 HydrophobicContact CG1-CD2 4.17Å; I124-L195 HydrophobicContact CG2-CD2 4.29Å; Q152-L195 WeakPolarHBondContact CA-O 3.36Å; T153-L195 PolarHBondContact N-O 2.81Å; T153-L195 PolarHBondContact O-N 2.03Å; T193-L195 HydrophobicContact CG2-CG 4.34Å
196	N	81.6	Confident	72.4	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.032	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	96.6	-174.8	-179.2	21.1	0	0	0	111	S120 M122 K123 Q152 F194 E198	S120-N196 PolarHBondContact O-ND2 2.68Å; M122-N196 WeakPolarHBondContact O-CB 3.26Å; M122-N196 PolarHBondContact O-ND2 2.89Å; K123-N196 PolarHBondContact O-N 2.84Å; Q152-N196 HydrophobicContact CG-CB 4.14Å; Q152-N196 WeakPolarHBondContact CG-OD1 3.29Å; Q152-N196 PolarHBondContact NE2-OD1 3.28Å; F194-N196 HydrophobicContact CE1-CB 3.93Å; F194-N196 HydrophobicContact CE2-CB 4.43Å; F194-N196 HydrophobicContact CZ-CB 3.78Å; N196-E198 VanDerWaalsContact C-N 3.29Å; N196-E198 PolarHBondContact O-N 2.78Å
197	N	78.8	Confident	73.3	Confident	117 Å²	117	60.9 Å²	60.9	63%	0.626	34%	0.341	S	S	*	.			trans	-94.6	38.1	-177.4	-63.3	-10.1	0	0	0	111.9	N151	N151-N197 HydrophobicContact CB-CB 4.13Å; N151-N197 WeakPolarHBondContact CB-O 3.44Å; N151-N197 PolarHBondContact ND2-O 3.26Å; N151-N197 PolarHBondContact O-N 2.99Å
198	E	70.5	Confident	74.5	Confident	74 Å²	74	60.3 Å²	60.3	35%	0.346	34%	0.335	S	S	.	.			trans	-99.2	135.8	173.8	-66.2	-161.8	128	0	0	111.8	S149 N151 Q152 N196 I200	S149-E198 WeakPolarHBondContact CB-OE1 3.18Å; S149-E198 WeakPolarHBondContact CB-OE2 3.36Å; S149-E198 VanDerWaalsContact OG-CD 3.24Å; S149-E198 PolarHBondContact OG-OE1 2.98Å; S149-E198 PolarHBondContact OG-OE2 3.29Å; N151-E198 HydrophobicContact CB-CG 3.81Å; Q152-E198 PolarHBondContact NE2-OE2 3.04Å; Q152-E198 VanDerWaalsContact NE2-OE2 3.11Å; N196-E198 VanDerWaalsContact C-N 3.29Å; N196-E198 PolarHBondContact O-N 2.78Å; E198-I200 PolarHBondContact O-N 2.03Å; E198-I200 VanDerWaalsContact O-N 3.14Å
199	N	59.8	Low	75.4	Confident	162 Å²	162	60.9 Å²	60.9	87%	0.866	34%	0.335	S	S	*	.			trans	-75.3	102.5	172.6	-78	-34.8	0	0	0	109.8	L201	N199-L201 PolarHBondContact O-N 2.83Å
200	I	55.9	Low	76.2	Confident	94 Å²	94	59.9 Å²	59.9	48%	0.482	33%	0.328	S	S	.	.			trans	-59.6	117.6	-171	-57.1	169.8	0	0	0	111.9	E198	E198-I200 PolarHBondContact O-N 2.03Å; E198-I200 VanDerWaalsContact O-N 3.14Å
201	L	48.7	Very low	76.5	Confident	174 Å²	174	61.4 Å²	61.4	91%	0.911	34%	0.338	S	S	*	.			trans	-140.8	9.4	174.8	-86.2	174.4	0	0	0	114	N199	N199-L201 PolarHBondContact O-N 2.83Å
202	S	53.4	Low	76.7	Confident	92 Å²	92	60.2 Å²	60.2	64%	0.643	33%	0.331	S	S	*	.	S	Bend	trans	-129.1	166.7	-177.1	60.3	0	0	0	0	112.8
203	E	62	Low	76.5	Confident	173 Å²	173	65.3 Å²	65.3	81%	0.808	35%	0.351	S	S	*	.			trans	-60.7	150.8	171.7	-66.5	-174.9	152.5	0	0	111.7	A205	E203-A205 PolarHBondContact O-N 3.31Å
204	P	66.4	Low	76.1	Confident	86 Å²	86	65.6 Å²	65.6	56%	0.558	35%	0.349	S	S	*	.			trans	-70.6	115.4	-178.7	27.8	-34.6	0	0	0	111.9	N119	N119-P204 HydrophobicContact CB-CB 4.48Å
205	A	76.2	Confident	75.2	Confident	55 Å²	55	68.6 Å²	68.6	46%	0.455	37%	0.365	S	S	.	.			trans	-101.6	147.5	173.4	0	0	0	0	0	110.9	N119 S120 E203 V207	N119-A205 CarbonylContact C-O 3.47Å; N119-A205 WeakPolarHBondContact CA-O 3.37Å; N119-A205 VanDerWaalsContact CB-O 3.25Å; N119-A205 WeakPolarHBondContact CB-O 3.28Å; S120-A205 PolarHBondContact N-O 3.39Å; S120-A205 PolarHBondContact OG-N 3.21Å; E203-A205 PolarHBondContact O-N 3.31Å; A205-V207 PolarHBondContact O-N 2.87Å
206	E	81.3	Confident	74.4	Confident	86 Å²	86	74.7 Å²	74.7	40%	0.402	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.7	174	-168.1	166.6	-150.9	0	0	109.9	R117 F145	R117-E206 VanDerWaalsContact CD-OE1 3.28Å; R117-E206 WeakPolarHBondContact CD-OE1 3.23Å; R117-E206 WeakPolarHBondContact CG-OE1 3.45Å; R117-E206 IonicContact CZ-OE1 2.81Å; R117-E206 IonicContact NE-OE1 2.68Å; R117-E206 IonicContact NH1-OE1 3.27Å; R117-E206 PolarHBondContact NH1-OE1 2.89Å; R117-E206 IonicContact NH1-OE2 2.66Å; F145-E206 WeakPolarHBondContact CE1-O 3.49Å
207	V	85.8	Confident	73.2	Confident	4 Å²	4	76 Å²	76	2%	0.024	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-40.5	-172.6	174.6	0	0	0	0	111.4	A118 N147 L148 F194 A205	A118-V207 PolarHBondContact O-N 3.35Å; N147-V207 PolarHBondContact N-O 2.83Å; L148-V207 HydrophobicContact CD2-CG1 3.85Å; F194-V207 HydrophobicContact CE2-CG1 3.94Å; F194-V207 HydrophobicContact CZ-CB 4.38Å; F194-V207 HydrophobicContact CZ-CG1 3.98Å; F194-V207 HydrophobicContact CZ-CG2 4.34Å; A205-V207 PolarHBondContact O-N 2.87Å
208	F	89.6	Confident	72	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158	175.8	71.7	-94.2	0	0	0	112.2	I116 R117 A118 W127 F145 L146 I154 F194 F210	I116-F208 HydrophobicContact CG2-CE2 3.81Å; I116-F208 HydrophobicContact CG2-CZ 4.31Å; R117-F208 WeakPolarHBondContact CA-O 3.28Å; A118-F208 HydrophobicContact CB-CD1 3.71Å; A118-F208 HydrophobicContact CB-CE1 3.2Å; A118-F208 HydrophobicContact CB-CZ 3.75Å; A118-F208 PolarHBondContact N-O 2.89Å; W127-F208 AromaticContact CH2-CZ 3.94Å; W127-F208 HydrophobicContact CH2-CZ 3.94Å; W127-F208 AromaticContact CZ3-CZ 3.84Å; W127-F208 HydrophobicContact CZ3-CZ 3.84Å; F145-F208 CarbonylContact O-C 3.51Å; F145-F208 VanDerWaalsContact O-CA 3.32Å; F145-F208 WeakPolarHBondContact O-CA 3.41Å; L146-F208 HydrophobicContact CD1-CB 3.77Å; I154-F208 HydrophobicContact CD1-CB 4.07Å; I154-F208 HydrophobicContact CD1-CD1 3.33Å; I154-F208 HydrophobicContact CD1-CD2 4.27Å; I154-F208 HydrophobicContact CD1-CE1 3.65Å; I154-F208 HydrophobicContact CD1-CG 3.66Å; I154-F208 HydrophobicContact CD1-CZ 4.26Å; I154-F208 HydrophobicContact CG1-CD1 4.19Å; I154-F208 HydrophobicContact CG1-CE1 4.09Å; F194-F208 HydrophobicContact CB-CE1 3.96Å; F194-F208 HydrophobicContact CB-CZ 4.4Å; F194-F208 HydrophobicContact CD1-CE1 4.45Å; F194-F208 HydrophobicContact CD2-CD1 4.48Å; F194-F208 AromaticContact CD2-CE1 4Å; F194-F208 HydrophobicContact CD2-CE1 4Å; F194-F208 AromaticContact CG-CE1 3.89Å; F194-F208 HydrophobicContact CG-CE1 3.89Å; F208-F210 HydrophobicContact CB-CE1 4.11Å; F208-F210 HydrophobicContact CB-CZ 4.36Å; F208-F210 AromaticContact CD2-CD1 3.84Å; F208-F210 HydrophobicContact CD2-CD1 3.84Å; F208-F210 AromaticContact CD2-CD2 3.65Å; F208-F210 HydrophobicContact CD2-CD2 3.65Å; F208-F210 AromaticContact CD2-CE1 3.67Å; F208-F210 HydrophobicContact CD2-CE1 3.67Å; F208-F210 AromaticContact CD2-CE2 3.5Å; F208-F210 HydrophobicContact CD2-CE2 3.5Å; F208-F210 VanDerWaalsContact CD2-CE2 3.5Å; F208-F210 AromaticContact CD2-CG 3.82Å; F208-F210 HydrophobicContact CD2-CG 3.82Å; F208-F210 AromaticContact CD2-CZ 3.51Å; F208-F210 HydrophobicContact CD2-CZ 3.51Å; F208-F210 AromaticContact CE2-CD2 3.5Å; F208-F210 HydrophobicContact CE2-CD2 3.5Å; F208-F210 VanDerWaalsContact CE2-CD2 3.5Å; F208-F210 HydrophobicContact CE2-CE1 4.42Å; F208-F210 AromaticContact CE2-CE2 3.39Å; F208-F210 HydrophobicContact CE2-CE2 3.39Å; F208-F210 HydrophobicContact CE2-CG 4.09Å; F208-F210 AromaticContact CE2-CZ 3.89Å; F208-F210 HydrophobicContact CE2-CZ 3.89Å; F208-F210 HydrophobicContact CG-CE1 4.19Å; F208-F210 HydrophobicContact CG-CE2 4.39Å; F208-F210 HydrophobicContact CG-CZ 4.04Å; F208-F210 HydrophobicContact CZ-CE2 4.2Å
209	M	89	Confident	71	Confident	40 Å²	40	76.9 Å²	76.9	20%	0.197	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	121.7	170.3	-180	176.7	44.1	0	0	109.5	V115 I116 R117 V144 F145	V115-M209 HydrophobicContact CG1-CG 3.45Å; V115-M209 VanDerWaalsContact CG1-CG 3.45Å; V115-M209 HydrophobicContact CG1-SD 3.81Å; I116-M209 CarbonylContact O-C 3.57Å; I116-M209 VanDerWaalsContact O-CA 3.31Å; I116-M209 WeakPolarHBondContact O-CA 3.36Å; R117-M209 HydrophobicContact CG-CB 4.5Å; R117-M209 HydrophobicContact CG-CG 4.28Å; R117-M209 PolarHBondContact NH1-SD 2.86Å; R117-M209 PolarHBondContact NH2-SD 2.74Å; R117-M209 VanDerWaalsContact NH2-SD 3.37Å; V144-M209 HydrophobicContact CB-CE 4.07Å; V144-M209 HydrophobicContact CB-CG 4.4Å; V144-M209 WeakPolarHBondContact CB-O 3.35Å; V144-M209 HydrophobicContact CG1-CE 3.75Å; V144-M209 PolarHBondContact N-O 2.88Å; F145-M209 HydrophobicContact CB-CB 4.06Å; F145-M209 HydrophobicContact CB-CE 4.24Å; F145-M209 PolarHBondContact N-O 2.85Å; F145-M209 VanDerWaalsContact N-O 3.07Å; F145-M209 PolarHBondContact O-N 2.89Å
210	F	91.4	Very high	70.4	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.8	177.5	-58.1	-26.6	0	0	0	111.1	V115 I116 V141 E142 I143 I154 I156 L173 I192 F208	V115-F210 CarbonylContact C-O 3.55Å; V115-F210 VanDerWaalsContact CA-O 3.29Å; V115-F210 WeakPolarHBondContact CA-O 3.03Å; I116-F210 PolarHBondContact N-O 2.98Å; I116-F210 PolarHBondContact O-N 2.86Å; V141-F210 HydrophobicContact CG1-CB 3.82Å; V141-F210 HydrophobicContact CG1-CD2 3.8Å; V141-F210 HydrophobicContact CG1-CG 3.84Å; E142-F210 WeakPolarHBondContact O-CA 3.33Å; I143-F210 HydrophobicContact CB-CD1 4.38Å; I143-F210 HydrophobicContact CB-CE1 4.43Å; I143-F210 HydrophobicContact CD1-CE1 4.35Å; I143-F210 HydrophobicContact CG1-CD1 4.11Å; I143-F210 HydrophobicContact CG1-CE1 3.94Å; I143-F210 HydrophobicContact CG2-CD1 4.29Å; I143-F210 HydrophobicContact CG2-CE1 4.09Å; I154-F210 HydrophobicContact CD1-CE2 4.36Å; I154-F210 HydrophobicContact CD1-CZ 3.72Å; I154-F210 HydrophobicContact CG2-CE2 4.1Å; I154-F210 HydrophobicContact CG2-CZ 4.23Å; I156-F210 HydrophobicContact CD1-CE2 4.38Å; L173-F210 HydrophobicContact CD1-CE1 4.27Å; L173-F210 HydrophobicContact CD1-CZ 3.75Å; I192-F210 HydrophobicContact CD1-CD2 3.97Å; I192-F210 HydrophobicContact CD1-CE2 4.4Å; I192-F210 HydrophobicContact CG2-CD2 4.48Å; I192-F210 HydrophobicContact CG2-CE2 4.06Å; F208-F210 HydrophobicContact CB-CE1 4.11Å; F208-F210 HydrophobicContact CB-CZ 4.36Å; F208-F210 AromaticContact CD2-CD1 3.84Å; F208-F210 HydrophobicContact CD2-CD1 3.84Å; F208-F210 AromaticContact CD2-CD2 3.65Å; F208-F210 HydrophobicContact CD2-CD2 3.65Å; F208-F210 AromaticContact CD2-CE1 3.67Å; F208-F210 HydrophobicContact CD2-CE1 3.67Å; F208-F210 AromaticContact CD2-CE2 3.5Å; F208-F210 HydrophobicContact CD2-CE2 3.5Å; F208-F210 VanDerWaalsContact CD2-CE2 3.5Å; F208-F210 AromaticContact CD2-CG 3.82Å; F208-F210 HydrophobicContact CD2-CG 3.82Å; F208-F210 AromaticContact CD2-CZ 3.51Å; F208-F210 HydrophobicContact CD2-CZ 3.51Å; F208-F210 AromaticContact CE2-CD2 3.5Å; F208-F210 HydrophobicContact CE2-CD2 3.5Å; F208-F210 VanDerWaalsContact CE2-CD2 3.5Å; F208-F210 HydrophobicContact CE2-CE1 4.42Å; F208-F210 AromaticContact CE2-CE2 3.39Å; F208-F210 HydrophobicContact CE2-CE2 3.39Å; F208-F210 HydrophobicContact CE2-CG 4.09Å; F208-F210 AromaticContact CE2-CZ 3.89Å; F208-F210 HydrophobicContact CE2-CZ 3.89Å; F208-F210 HydrophobicContact CG-CE1 4.19Å; F208-F210 HydrophobicContact CG-CE2 4.39Å; F208-F210 HydrophobicContact CG-CZ 4.04Å; F208-F210 HydrophobicContact CZ-CE2 4.2Å
211	S	88.2	Confident	70.2	Confident	31 Å²	31	67.8 Å²	67.8	22%	0.217	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.6	170.7	-174.7	0	0	0	0	109.6	E142	E142-S211 PolarHBondContact N-O 2.81Å; E142-S211 PolarHBondContact O-N 2.96Å
212	I	86.5	Confident	70.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.9	-178.2	-55.3	-53.7	0	0	0	109.3	E113 A114 I116 L129 V139 V141 I192	E113-I212 WeakPolarHBondContact CA-O 3.41Å; A114-I212 PolarHBondContact N-O 3.2Å; A114-I212 PolarHBondContact O-N 3.1Å; I116-I212 HydrophobicContact CD1-CD1 4.05Å; I116-I212 HydrophobicContact CD1-CG1 3.97Å; I116-I212 HydrophobicContact CG1-CG1 4.21Å; L129-I212 HydrophobicContact CD1-CD1 3.83Å; L129-I212 HydrophobicContact CD1-CG1 4.31Å; L129-I212 HydrophobicContact CD1-CG2 4.06Å; L129-I212 HydrophobicContact CD2-CG1 4.46Å; L129-I212 HydrophobicContact CD2-CG2 4.39Å; V139-I212 HydrophobicContact CG1-CG2 3.85Å; V141-I212 HydrophobicContact CB-CD1 4.28Å; V141-I212 HydrophobicContact CG1-CD1 4.02Å; V141-I212 HydrophobicContact CG2-CD1 3.97Å; I192-I212 HydrophobicContact CD1-CD1 4.36Å
213	R	82.9	Confident	70.4	Confident	107 Å²	107	62.4 Å²	62.4	40%	0.404	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148	176	-66.1	-156.3	-98	-169.7	-6.7	112.2	E113 V139 T140 E142	E113-R213 HydrophobicContact CG-CG 4.5Å; E113-R213 VanDerWaalsContact OE1-CD 3.27Å; E113-R213 WeakPolarHBondContact OE1-CD 3.25Å; E113-R213 WeakPolarHBondContact OE1-CG 3.31Å; V139-R213 CarbonylContact C-O 3.45Å; T140-R213 PolarHBondContact N-O 3.46Å; T140-R213 PolarHBondContact O-N 3.26Å; E142-R213 IonicContact OE1-NH2 3.54Å; E142-R213 IonicContact OE2-CZ 3.52Å; E142-R213 IonicContact OE2-NE 3.67Å; E142-R213 PolarHBondContact OE2-NE 2.8Å; E142-R213 IonicContact OE2-NH2 2.73Å; E142-R213 PolarHBondContact OE2-NH2 2.82Å
214	W	76.7	Confident	69.7	Low	30 Å²	30	57.9 Å²	57.9	11%	0.114	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.9	-177.8	-72.3	95.5	0	0	0	111.7	I110 T112 S131 L136 V139	I110-W214 WeakPolarHBondContact O-CZ2 3.43Å; T112-W214 PolarHBondContact O-NE1 3.26Å; S131-W214 VanDerWaalsContact CB-CZ3 3.43Å; L136-W214 HydrophobicContact CB-CB 4.45Å; L136-W214 HydrophobicContact CB-CE3 3.93Å; L136-W214 HydrophobicContact CD1-CB 3.87Å; L136-W214 HydrophobicContact CD1-CD2 4.33Å; L136-W214 HydrophobicContact CD1-CG 4.06Å; L136-W214 HydrophobicContact CD2-CB 4.14Å; L136-W214 HydrophobicContact CG-CB 4.37Å; V139-W214 HydrophobicContact CG2-CD2 4.15Å; V139-W214 HydrophobicContact CG2-CE3 3.7Å; V139-W214 HydrophobicContact CG2-CH2 3.24Å; V139-W214 HydrophobicContact CG2-CZ2 3.75Å; V139-W214 HydrophobicContact CG2-CZ3 3.22Å
215	N	69.8	Low	68.8	Low	62 Å²	62	56.3 Å²	56.3	33%	0.332	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	161.5	-177.7	-60.5	-33.3	0	0	0	112.2	T137 H138 T140	T137-N215 PolarHBondContact N-O 3.44Å; H138-N215 HydrophobicContact CB-CB 4.39Å; H138-N215 PolarHBondContact O-N 3.03Å; T140-N215 PolarHBondContact OG1-ND2 3.27Å
216	R	68.3	Low	67.7	Low	176 Å²	176	54 Å²	54	66%	0.664	30%	0.296	S	S	*	.			trans	-108.5	161	169.8	-62.1	-177.2	170.2	-179.6	-4.4	109.9	L136	L136-R216 HydrophobicContact CD2-CG 4.23Å
217	C	56.9	Low	66	Low	32 Å²	32	51.5 Å²	51.5	22%	0.216	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-56.7	145.8	174.8	-60.3	0	0	0	0	112.9	T137 L221 C226	T137-C217 PolarHBondContact OG1-N 2.68Å; C217-L221 HydrophobicContact CB-CB 4.04Å; C217-L221 VanDerWaalsContact CB-O 3.32Å; C217-L221 WeakPolarHBondContact CB-O 3.4Å; C217-C226 WeakPolarHBondContact CA-SG 3.35Å; C217-C226 HydrophobicContact CB-CB 3.99Å; C217-C226 WeakPolarHBondContact CB-SG 3.31Å; C217-C226 WeakPolarHBondContact SG-CA 2.99Å; C217-C226 WeakPolarHBondContact SG-CB 2.95Å; C217-C226 CovalentContact SG-SG 2.04Å; C217-C226 PolarHBondContact SG-SG 2.98Å
218	P	52.8	Low	64.4	Low	70 Å²	70	55.4 Å²	55.4	46%	0.455	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-55.1	155.9	161.2	-23.9	34	0	0	0	112.6	G220 L221	P218-G220 PolarHBondContact O-N 2.64Å; P218-L221 HydrophobicContact CB-CD1 4.49Å; P218-L221 HydrophobicContact CG-CD1 4.3Å; P218-L221 PolarHBondContact O-N 3.22Å
219	P	50.2	Low	62.4	Low	141 Å²	141	62.3 Å²	62.3	92%	0.916	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	126.7	174.8	-23.2	34	0	0	0	112.1
220	G	46.8	Very low	60.3	Low	30 Å²	30	62.7 Å²	62.7	31%	0.309	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.9	-15.8	-178.4	0	0	0	0	0	114.8	P218 Y222	P218-G220 PolarHBondContact O-N 2.64Å; G220-Y222 WeakPolarHBondContact O-CD2 3.15Å; G220-Y222 WeakPolarHBondContact O-CE2 3.02Å
221	L	52.4	Low	58	Low	34 Å²	34	66.6 Å²	66.6	18%	0.178	37%	0.373	C	S	.	.			trans	-106	145.4	179.3	-62.4	-179.3	0	0	0	111.6	C217 P218 C226 Y228	C217-L221 HydrophobicContact CB-CB 4.04Å; C217-L221 VanDerWaalsContact CB-O 3.32Å; C217-L221 WeakPolarHBondContact CB-O 3.4Å; P218-L221 HydrophobicContact CB-CD1 4.49Å; P218-L221 HydrophobicContact CG-CD1 4.3Å; P218-L221 PolarHBondContact O-N 3.22Å; L221-C226 HydrophobicContact CB-CB 3.95Å; L221-C226 WeakPolarHBondContact CB-O 3.09Å; L221-C226 HydrophobicContact CD1-CB 4.32Å; L221-C226 WeakPolarHBondContact CD2-O 2.98Å; L221-Y228 HydrophobicContact CD2-CD1 4.16Å; L221-Y228 HydrophobicContact CD2-CD2 3.74Å; L221-Y228 HydrophobicContact CD2-CE1 3.89Å; L221-Y228 HydrophobicContact CD2-CE2 3.43Å; L221-Y228 VanDerWaalsContact CD2-CE2 3.43Å; L221-Y228 HydrophobicContact CD2-CG 4.09Å
222	Y	54.1	Low	55.9	Low	113 Å²	113	71.9 Å²	71.9	44%	0.443	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-143.9	161.3	-169.4	-59.9	-79.1	0	0	0	114.4	G220 C226 A227 K229	G220-Y222 WeakPolarHBondContact O-CD2 3.15Å; G220-Y222 WeakPolarHBondContact O-CE2 3.02Å; Y222-C226 CarbonylContact O-C 3.6Å; Y222-C226 WeakPolarHBondContact O-CA 3.15Å; Y222-A227 PolarHBondContact N-O 3.34Å; Y222-A227 PolarHBondContact O-N 2.9Å; Y222-K229 HydrophobicContact CD1-CD 4.42Å; Y222-K229 HydrophobicContact CD2-CB 4.09Å; Y222-K229 HydrophobicContact CD2-CD 3.81Å; Y222-K229 HydrophobicContact CD2-CG 4.27Å; Y222-K229 HydrophobicContact CG-CD 3.75Å; Y222-K229 HydrophobicContact CG-CG 4.37Å
223	G	51.3	Low	54	Low	40 Å²	40	77.2 Å²	77.2	41%	0.412	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	177.2	177.7	0	0	0	0	0	113.4	T137 S225 C226	T137-G223 WeakPolarHBondContact CG2-O 3.39Å; G223-S225 PolarHBondContact O-N 3.04Å; G223-S225 VanDerWaalsContact O-N 3.1Å; G223-C226 PolarHBondContact O-N 2.9Å; G223-C226 VanDerWaalsContact O-N 3.16Å
224	P	46.8	Very low	52.5	Low	79 Å²	79	74.8 Å²	74.8	51%	0.513	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.7	-174	29.3	-36.7	0	0	0	114
225	S	48.3	Very low	51.2	Low	53 Å²	53	77.5 Å²	77.5	37%	0.371	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	6.7	-179.9	-52.2	0	0	0	0	113	G223 A227 Q255	G223-S225 PolarHBondContact O-N 3.04Å; G223-S225 VanDerWaalsContact O-N 3.1Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 PolarHBondContact O-N 2.6Å; S225-Q255 PolarHBondContact O-NE2 2.85Å
226	C	52.1	Low	50.5	Low	7 Å²	7	81.3 Å²	81.3	5%	0.047	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	46.7	-172.9	-63.5	0	0	0	0	114.5	T137 H138 C217 L221 Y222 G223	T137-C226 WeakPolarHBondContact CB-SG 3.39Å; T137-C226 PolarHBondContact OG1-SG 3.34Å; H138-C226 PolarHBondContact CE1-SG 2.94Å; C217-C226 WeakPolarHBondContact CA-SG 3.35Å; C217-C226 HydrophobicContact CB-CB 3.99Å; C217-C226 WeakPolarHBondContact CB-SG 3.31Å; C217-C226 WeakPolarHBondContact SG-CA 2.99Å; C217-C226 WeakPolarHBondContact SG-CB 2.95Å; C217-C226 CovalentContact SG-SG 2.04Å; C217-C226 PolarHBondContact SG-SG 2.98Å; L221-C226 HydrophobicContact CB-CB 3.95Å; L221-C226 WeakPolarHBondContact CB-O 3.09Å; L221-C226 HydrophobicContact CD1-CB 4.32Å; L221-C226 WeakPolarHBondContact CD2-O 2.98Å; Y222-C226 CarbonylContact O-C 3.6Å; Y222-C226 WeakPolarHBondContact O-CA 3.15Å; G223-C226 PolarHBondContact O-N 2.9Å; G223-C226 VanDerWaalsContact O-N 3.16Å
227	A	46.3	Very low	50.7	Low	33 Å²	33	74 Å²	74	27%	0.273	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-87.4	162.8	175.9	0	0	0	0	0	111.8	Y222 S225	Y222-A227 PolarHBondContact N-O 3.34Å; Y222-A227 PolarHBondContact O-N 2.9Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 PolarHBondContact O-N 2.6Å
228	Y	51.5	Low	51.7	Low	86 Å²	86	76.5 Å²	76.5	34%	0.337	46%	0.456	S	S	.	.			trans	-69.3	149	165.3	-73.5	-82.1	0	0	0	110.9	L221 F234 L251	L221-Y228 HydrophobicContact CD2-CD1 4.16Å; L221-Y228 HydrophobicContact CD2-CD2 3.74Å; L221-Y228 HydrophobicContact CD2-CE1 3.89Å; L221-Y228 HydrophobicContact CD2-CE2 3.43Å; L221-Y228 VanDerWaalsContact CD2-CE2 3.43Å; L221-Y228 HydrophobicContact CD2-CG 4.09Å; Y228-F234 HydrophobicContact CG-CZ 4.5Å; Y228-L251 HydrophobicContact CD2-CD2 4.48Å; Y228-L251 HydrophobicContact CE2-CD2 3.8Å
229	K	48.4	Very low	53.1	Low	144 Å²	144	80 Å²	80	63%	0.626	46%	0.46	S	S	*	.	S	Bend	trans	-96.2	-9.9	-158.5	-133.8	177.1	-167.3	165.4	0	116.2	Y222	Y222-K229 HydrophobicContact CD1-CD 4.42Å; Y222-K229 HydrophobicContact CD2-CB 4.09Å; Y222-K229 HydrophobicContact CD2-CD 3.81Å; Y222-K229 HydrophobicContact CD2-CG 4.27Å; Y222-K229 HydrophobicContact CG-CD 3.75Å; Y222-K229 HydrophobicContact CG-CG 4.37Å
230	S	44.4	Very low	54.7	Low	49 Å²	49	78 Å²	78	34%	0.343	45%	0.445	S	S	.	.			trans	-163.1	140.6	-177.2	43.2	0	0	0	0	110.8	D232 E233 F234	S230-D232 PolarHBondContact O-N 2.85Å; S230-D232 VanDerWaalsContact O-N 3.12Å; S230-E233 PolarHBondContact O-N 2.65Å; S230-E233 VanDerWaalsContact O-N 3.12Å; S230-F234 VanDerWaalsContact O-CD2 3.31Å; S230-F234 WeakPolarHBondContact O-CD2 3.39Å
231	A	42.4	Very low	56.7	Low	81 Å²	81	79 Å²	79	67%	0.669	44%	0.442	S	S	*	.	H	α-helix	trans	-52.2	-32.2	173.4	0	0	0	0	0	112.5	E233 F234	A231-E233 PolarHBondContact O-N 2.03Å; A231-E233 VanDerWaalsContact O-N 3.16Å; A231-F234 WeakPolarHBondContact O-CB 3.34Å; A231-F234 PolarHBondContact O-N 2.86Å
232	D	44	Very low	58.3	Low	143 Å²	143	82.1 Å²	82.1	77%	0.765	46%	0.462	S	S	*	.	H	α-helix	trans	-64.8	-16	-179	-52.4	-70.9	0	0	0	114.9	S230	S230-D232 PolarHBondContact O-N 2.85Å; S230-D232 VanDerWaalsContact O-N 3.12Å
233	E	47.9	Very low	59.8	Low	111 Å²	111	77.8 Å²	77.8	52%	0.519	45%	0.449	S	S	.	.	H	α-helix	trans	-88.2	-21	171.8	-73.2	-170.2	133.7	0	0	113.1	S230 A231 A235 N236	S230-E233 PolarHBondContact O-N 2.65Å; S230-E233 VanDerWaalsContact O-N 3.12Å; A231-E233 PolarHBondContact O-N 2.03Å; A231-E233 VanDerWaalsContact O-N 3.16Å; E233-A235 PolarHBondContact O-N 2.71Å; E233-N236 PolarHBondContact O-N 2.91Å
234	F	51	Low	61.5	Low	57 Å²	57	78.4 Å²	78.4	25%	0.25	45%	0.45	C	S	.	.	H	α-helix	trans	-66.7	-25.7	-179	-70.9	-103.6	0	0	0	112.3	Y228 S230 A231 N236 C237 L251 P258	Y228-F234 HydrophobicContact CG-CZ 4.5Å; S230-F234 VanDerWaalsContact O-CD2 3.31Å; S230-F234 WeakPolarHBondContact O-CD2 3.39Å; A231-F234 WeakPolarHBondContact O-CB 3.34Å; A231-F234 PolarHBondContact O-N 2.86Å; F234-N236 PolarHBondContact O-N 3.03Å; F234-C237 PolarHBondContact O-N 3.12Å; F234-L251 HydrophobicContact CD1-CD1 3.61Å; F234-L251 HydrophobicContact CE1-CD1 3.8Å; F234-P258 HydrophobicContact CD1-CG 4.23Å; F234-P258 HydrophobicContact CE1-CB 4.43Å; F234-P258 HydrophobicContact CE1-CG 3.59Å
235	A	48.8	Very low	63.5	Low	87 Å²	87	79 Å²	79	72%	0.719	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.4	176.6	0	0	0	0	0	114.6	E233	E233-A235 PolarHBondContact O-N 2.71Å
236	N	56.7	Low	65.4	Low	142 Å²	142	80 Å²	80	76%	0.759	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	32	179.8	-85.8	-37.4	0	0	0	113.5	E233 F234 T238	E233-N236 PolarHBondContact O-N 2.91Å; F234-N236 PolarHBondContact O-N 3.03Å; N236-T238 PolarHBondContact O-N 3.16Å; N236-T238 VanDerWaalsContact O-N 3.13Å
237	C	71.4	Confident	66.9	Low	23 Å²	23	81.8 Å²	81.8	16%	0.155	46%	0.457	C	S	.	.			trans	-67.2	-5.7	172.3	64.2	0	0	0	0	114.5	F234 L251 C263	F234-C237 PolarHBondContact O-N 3.12Å; C237-L251 HydrophobicContact CB-CD1 4.23Å; C237-C263 HydrophobicContact CB-CB 3.81Å; C237-C263 WeakPolarHBondContact CB-SG 3.31Å; C237-C263 WeakPolarHBondContact SG-CA 3.06Å; C237-C263 WeakPolarHBondContact SG-CB 3.4Å; C237-C263 CovalentContact SG-SG 2.04Å; C237-C263 PolarHBondContact SG-SG 3.12Å
238	T	78.3	Confident	68.9	Low	83 Å²	83	80.4 Å²	80.4	51%	0.509	45%	0.445	S	S	.	.			trans	-81	122.8	172.2	-70.1	0	0	0	0	111.2	N236 T264	N236-T238 PolarHBondContact O-N 3.16Å; N236-T238 VanDerWaalsContact O-N 3.13Å; T238-T264 CarbonylContact C-O 3.6Å; T238-T264 VanDerWaalsContact CA-O 3.23Å; T238-T264 WeakPolarHBondContact CA-O 3.36Å; T238-T264 PolarHBondContact OG1-N 2.77Å
239	R	81.6	Confident	70.6	Confident	143 Å²	143	80.2 Å²	80.2	54%	0.54	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.3	-174.1	-162.7	174.3	-179.9	-141.3	-7.8	112.2	E241 T264 T266	R239-E241 HydrophobicContact CG-CG 4.23Å; R239-E241 IonicContact CZ-OE1 2.62Å; R239-E241 IonicContact CZ-OE2 3.92Å; R239-E241 IonicContact NE-OE1 2.7Å; R239-E241 IonicContact NE-OE2 2.7Å; R239-E241 IonicContact NH1-OE1 3.72Å; R239-E241 PolarHBondContact NH1-OE1 2.84Å; R239-E241 IonicContact NH1-OE2 2.84Å; R239-E241 PolarHBondContact NH1-OE2 2.75Å; R239-E241 VanDerWaalsContact NH2-CD 3.27Å; R239-E241 IonicContact NH2-OE1 2.75Å; R239-E241 IonicContact NH2-OE2 3.83Å; R239-E241 PolarHBondContact NH2-OE2 2.74Å; R239-T264 PolarHBondContact N-O 2.93Å; R239-T266 PolarHBondContact O-N 3.11Å
240	T	84.7	Confident	72.4	Confident	99 Å²	99	73.4 Å²	73.4	61%	0.607	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.4	174.3	-51.9	0	0	0	0	110.5	T266	T240-T266 CarbonylContact C-O 3.56Å; T240-T266 VanDerWaalsContact CA-O 3.27Å; T240-T266 WeakPolarHBondContact CA-O 3.22Å; T240-T266 HydrophobicContact CG2-CG2 4.09Å
241	E	87.3	Confident	74.1	Confident	51 Å²	51	71.6 Å²	71.6	24%	0.238	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.2	-176.1	-68.5	-176.3	-94.7	0	0	113.1	R239 T266 F267 E268	R239-E241 HydrophobicContact CG-CG 4.23Å; R239-E241 IonicContact CZ-OE1 2.62Å; R239-E241 IonicContact CZ-OE2 3.92Å; R239-E241 IonicContact NE-OE1 2.7Å; R239-E241 IonicContact NE-OE2 2.7Å; R239-E241 IonicContact NH1-OE1 3.72Å; R239-E241 PolarHBondContact NH1-OE1 2.84Å; R239-E241 IonicContact NH1-OE2 2.84Å; R239-E241 PolarHBondContact NH1-OE2 2.75Å; R239-E241 VanDerWaalsContact NH2-CD 3.27Å; R239-E241 IonicContact NH2-OE1 2.75Å; R239-E241 IonicContact NH2-OE2 3.83Å; R239-E241 PolarHBondContact NH2-OE2 2.74Å; E241-T266 PolarHBondContact N-O 3.41Å; E241-F267 HydrophobicContact CB-CD1 4.07Å; E241-F267 HydrophobicContact CB-CE1 4.24Å; E241-F267 CarbonylContact O-C 3.56Å; E241-F267 WeakPolarHBondContact O-CA 3.23Å; E241-E268 PolarHBondContact O-N 3.04Å
242	V	87.5	Confident	75.4	Confident	100 Å²	100	69.6 Å²	69.6	61%	0.606	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.6	163.8	-176.9	0	0	0	0	107.8	E268 P270	V242-E268 CarbonylContact C-O 3.52Å; V242-E268 VanDerWaalsContact CA-O 3.29Å; V242-E268 WeakPolarHBondContact CA-O 3.49Å; V242-E268 HydrophobicContact CG2-CB 4.4Å; V242-P270 HydrophobicContact CG1-CG 4.32Å
243	S	85.2	Confident	76.6	Confident	23 Å²	23	65.3 Å²	65.3	16%	0.161	36%	0.357	C	S	.	.			trans	-148.2	146.2	177.9	-172.5	0	0	0	0	112.9	E245 E268 F276	S243-E245 PolarHBondContact OG-N 2.79Å; S243-E245 PolarHBondContact OG-O 3.4Å; S243-E245 VanDerWaalsContact OG-O 3.07Å; S243-E268 PolarHBondContact N-O 2.89Å; S243-F276 WeakPolarHBondContact O-CE1 3.35Å; S243-F276 WeakPolarHBondContact O-CZ 3.24Å
244	A	86.1	Confident	77.5	Confident	53 Å²	53	61.6 Å²	61.6	44%	0.438	34%	0.342	S	S	.	.	S	Bend	trans	-87.8	-25.6	171.7	0	0	0	0	0	112.9	P270 A340	A244-P270 HydrophobicContact CB-CG 4.11Å; A244-A340 WeakPolarHBondContact O-CB 3.33Å; A244-A340 PolarHBondContact O-N 3.07Å
245	E	90.6	Very high	78.2	Confident	91 Å²	91	61.3 Å²	61.3	43%	0.425	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	129.5	-176.7	-167.6	152.3	-150.2	0	0	109.6	S243 H337 I338 K339	S243-E245 PolarHBondContact OG-N 2.79Å; S243-E245 PolarHBondContact OG-O 3.4Å; S243-E245 VanDerWaalsContact OG-O 3.07Å; E245-H337 IonicContact OE1-CE1 4Å; E245-H337 PolarHBondContact OE1-CE1 2.93Å; E245-H337 VanDerWaalsContact OE1-CE1 3.27Å; E245-H337 IonicContact OE1-NE2 2.7Å; E245-I338 WeakPolarHBondContact CA-O 3.27Å; E245-K339 HydrophobicContact CG-CB 4.42Å; E245-K339 HydrophobicContact CG-CG 4.24Å; E245-K339 WeakPolarHBondContact OE1-CD 3.21Å; E245-K339 IonicContact OE1-NZ 3.73Å; E245-K339 PolarHBondContact OE1-NZ 2.81Å; E245-K339 IonicContact OE2-NZ 3.04Å; E245-K339 PolarHBondContact OE2-NZ 2.53Å
246	Q	86.7	Confident	79.5	Confident	74 Å²	74	62.8 Å²	62.8	35%	0.346	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	146.1	-173.4	-177.7	57.1	43.7	0	0	111.1	V248 F267 I338	Q246-V248 HydrophobicContact CG-CG2 4.38Å; Q246-F267 HydrophobicContact CG-CE1 3.95Å; Q246-F267 HydrophobicContact CG-CZ 4.23Å; Q246-I338 HydrophobicContact CB-CD1 4.13Å; Q246-I338 HydrophobicContact CB-CG1 3.81Å; Q246-I338 PolarHBondContact N-O 2.85Å; Q246-I338 WeakPolarHBondContact O-CG1 3.08Å; Q246-I338 PolarHBondContact O-N 2.93Å
247	S	84.6	Confident	80.6	Confident	44 Å²	44	56.1 Å²	56.1	31%	0.308	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.8	164.5	-61.3	0	0	0	0	110.1	A336 H337	S247-A336 CarbonylContact C-O 3.59Å; S247-A336 WeakPolarHBondContact CA-O 3.25Å; S247-H337 PolarHBondContact OG-CD2 2.92Å
248	V	87.7	Confident	81.1	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.03	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.5	-175.2	-169.4	0	0	0	0	107.3	Q246 W265 F267 F321 F334 A336 I338	Q246-V248 HydrophobicContact CG-CG2 4.38Å; V248-W265 HydrophobicContact CG1-CB 4.34Å; V248-W265 HydrophobicContact CG1-CD2 4.38Å; V248-W265 HydrophobicContact CG1-CG 4.34Å; V248-F267 HydrophobicContact CB-CE2 4.46Å; V248-F267 HydrophobicContact CG1-CE2 4.08Å; V248-F267 HydrophobicContact CG1-CZ 4.43Å; V248-F267 HydrophobicContact CG2-CD2 4.36Å; V248-F267 HydrophobicContact CG2-CE2 3.48Å; V248-F267 VanDerWaalsContact CG2-CE2 3.48Å; V248-F267 HydrophobicContact CG2-CZ 3.72Å; V248-F321 HydrophobicContact CG1-CB 4.46Å; V248-F321 HydrophobicContact CG1-CD1 4.31Å; V248-F321 HydrophobicContact CG1-CD2 4.41Å; V248-F321 HydrophobicContact CG1-CG 4.16Å; V248-F321 HydrophobicContact CG2-CE2 4.46Å; V248-F334 HydrophobicContact CG1-CE2 4.27Å; V248-A336 PolarHBondContact N-O 3.24Å; V248-A336 PolarHBondContact O-N 3.26Å; V248-I338 HydrophobicContact CG2-CD1 4.28Å; V248-I338 HydrophobicContact CG2-CG1 4.29Å; V248-I338 HydrophobicContact CG2-CG2 4.44Å
249	H	86.8	Confident	81.2	Confident	82 Å²	82	53.7 Å²	53.7	38%	0.38	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.4	-173.9	43.1	-98.7	0	0	0	110.9	F253 F334	H249-F253 HydrophobicContact CB-CB 3.89Å; H249-F253 HydrophobicContact CB-CD1 4.28Å; H249-F253 HydrophobicContact CB-CG 4.08Å; H249-F334 WeakPolarHBondContact CA-O 3.45Å; H249-F334 VanDerWaalsContact CB-O 3.24Å; H249-F334 WeakPolarHBondContact CB-O 3.34Å
250	S	86.5	Confident	81.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.29	C	S	.	.			trans	-60.9	156.7	171.8	44.5	0	0	0	0	111.4	F253 G333 F334	S250-F253 WeakPolarHBondContact O-CB 3.47Å; S250-F253 PolarHBondContact O-N 2.9Å; S250-G333 WeakPolarHBondContact OG-CA 3.45Å; S250-F334 PolarHBondContact N-O 3.34Å; S250-F334 PolarHBondContact OG-N 3.04Å
251	L	80.5	Confident	81.2	Confident	12 Å²	12	49 Å²	49	6%	0.063	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	144.1	169.6	-59.7	-173	0	0	0	109.5	Y228 F234 C237 F253 Y257 P258 I261 W265	Y228-L251 HydrophobicContact CD2-CD2 4.48Å; Y228-L251 HydrophobicContact CE2-CD2 3.8Å; F234-L251 HydrophobicContact CD1-CD1 3.61Å; F234-L251 HydrophobicContact CE1-CD1 3.8Å; C237-L251 HydrophobicContact CB-CD1 4.23Å; L251-F253 PolarHBondContact O-N 3.21Å; L251-F253 VanDerWaalsContact O-N 3.16Å; L251-Y257 WeakPolarHBondContact O-CA 3.29Å; L251-P258 HydrophobicContact CB-CG 4.18Å; L251-P258 HydrophobicContact CD1-CG 4.44Å; L251-I261 HydrophobicContact CB-CD1 4.3Å; L251-I261 HydrophobicContact CD1-CD1 3.9Å; L251-I261 HydrophobicContact CG-CD1 4.12Å; L251-W265 HydrophobicContact CD2-CZ2 4.24Å
252	N	69	Low	81.2	Confident	39 Å²	39	53 Å²	53	21%	0.209	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	-4.4	-174.2	-50.9	-20.3	0	0	0	117.3	Q255 K256	N252-Q255 HydrophobicContact CB-CB 4.3Å; N252-Q255 WeakPolarHBondContact O-CA 3.32Å; N252-Q255 WeakPolarHBondContact O-CB 3.16Å; N252-Q255 PolarHBondContact O-N 3.17Å; N252-K256 VanDerWaalsContact CB-O 3.26Å; N252-K256 WeakPolarHBondContact CB-O 3.02Å; N252-K256 PolarHBondContact ND2-O 3.29Å
253	F	69.4	Low	81.2	Confident	52 Å²	52	48.3 Å²	48.3	23%	0.228	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	129.3	-176.1	-175.1	-84.9	0	0	0	112.1	H249 S250 L251 T282 R332 F334 D335	H249-F253 HydrophobicContact CB-CB 3.89Å; H249-F253 HydrophobicContact CB-CD1 4.28Å; H249-F253 HydrophobicContact CB-CG 4.08Å; S250-F253 WeakPolarHBondContact O-CB 3.47Å; S250-F253 PolarHBondContact O-N 2.9Å; L251-F253 PolarHBondContact O-N 3.21Å; L251-F253 VanDerWaalsContact O-N 3.16Å; F253-T282 HydrophobicContact CE2-CG2 3.86Å; F253-T282 HydrophobicContact CZ-CG2 3.84Å; F253-R332 WeakPolarHBondContact CD2-O 3.25Å; F253-F334 VanDerWaalsContact CD2-C 3.5Å; F253-F334 VanDerWaalsContact CD2-O 3.22Å; F253-F334 WeakPolarHBondContact CD2-O 3.46Å; F253-D335 HydrophobicContact CD1-CB 4.14Å; F253-D335 HydrophobicContact CE1-CB 3.58Å; F253-D335 HydrophobicContact CE2-CB 4.04Å; F253-D335 HydrophobicContact CZ-CB 3.53Å
254	P	67.6	Low	81.5	Confident	34 Å²	34	48.7 Å²	48.7	22%	0.221	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.3	7.8	14.1	-2.4	24	0	0	0	115.4	Y186 R332	Y186-P254 HydrophobicContact CD1-CB 3.7Å; Y186-P254 HydrophobicContact CD1-CG 3.62Å; Y186-P254 HydrophobicContact CE1-CB 3.4Å; Y186-P254 HydrophobicContact CE1-CG 3.62Å; Y186-P254 HydrophobicContact CG-CB 4.41Å; P254-R332 WeakPolarHBondContact O-CB 3.21Å; P254-R332 VanDerWaalsContact O-CG 3.29Å; P254-R332 WeakPolarHBondContact O-CG 3.27Å
255	Q	64.6	Low	81.7	Confident	51 Å²	51	47.7 Å²	47.7	24%	0.238	24%	0.242	C	C	.	.	S	Bend	trans	-75.2	169.9	171.7	-61.7	165.3	28	0	0	110.5	Y186 S225 N252 Y257	Y186-Q255 PolarHBondContact O-NE2 2.87Å; S225-Q255 PolarHBondContact O-NE2 2.85Å; N252-Q255 HydrophobicContact CB-CB 4.3Å; N252-Q255 WeakPolarHBondContact O-CA 3.32Å; N252-Q255 WeakPolarHBondContact O-CB 3.16Å; N252-Q255 PolarHBondContact O-N 3.17Å; Q255-Y257 PolarHBondContact O-N 3.37Å
256	K	77	Confident	81.7	Confident	118 Å²	118	44.1 Å²	44.1	51%	0.513	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-51	127.2	177.1	-69.8	-172.5	163.6	-122.4	0	112.2	N252 E330 R331	N252-K256 VanDerWaalsContact CB-O 3.26Å; N252-K256 WeakPolarHBondContact CB-O 3.02Å; N252-K256 PolarHBondContact ND2-O 3.29Å; K256-E330 HydrophobicContact CB-CB 4.28Å; K256-E330 WeakPolarHBondContact CD-O 3.11Å; K256-E330 WeakPolarHBondContact CE-O 3.05Å; K256-E330 VanDerWaalsContact CG-O 3.23Å; K256-E330 WeakPolarHBondContact CG-O 3.42Å; K256-E330 PolarHBondContact NZ-O 2.84Å; K256-E330 IonicContact NZ-OE2 3.76Å; K256-R331 VanDerWaalsContact CA-O 3.27Å; K256-R331 WeakPolarHBondContact CA-O 3.01Å
257	Y	80.1	Confident	82	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.008	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-64.9	157.9	170.6	51.8	-103.7	0	0	0	110.6	L251 Q255 D286 D290 F323 E330 R331 G333	L251-Y257 WeakPolarHBondContact O-CA 3.29Å; Q255-Y257 PolarHBondContact O-N 3.37Å; Y257-D286 PolarHBondContact OH-N 2.94Å; Y257-D290 WeakPolarHBondContact CE2-OD2 3.14Å; Y257-D290 PolarHBondContact OH-OD2 2.94Å; Y257-F323 HydrophobicContact CD1-CE1 4.21Å; Y257-F323 AromaticContact CD1-CZ 3.66Å; Y257-F323 HydrophobicContact CD1-CZ 3.66Å; Y257-F323 AromaticContact CD2-CE1 3.9Å; Y257-F323 HydrophobicContact CD2-CE1 3.9Å; Y257-F323 AromaticContact CD2-CZ 3.81Å; Y257-F323 HydrophobicContact CD2-CZ 3.81Å; Y257-F323 AromaticContact CE1-CZ 3.78Å; Y257-F323 HydrophobicContact CE1-CZ 3.78Å; Y257-F323 HydrophobicContact CE2-CE1 4.41Å; Y257-F323 AromaticContact CE2-CZ 3.93Å; Y257-F323 HydrophobicContact CE2-CZ 3.93Å; Y257-F323 AromaticContact CG-CE1 3.8Å; Y257-F323 HydrophobicContact CG-CE1 3.8Å; Y257-F323 AromaticContact CG-CZ 3.69Å; Y257-F323 HydrophobicContact CG-CZ 3.69Å; Y257-F323 AromaticContact CZ-CZ 3.92Å; Y257-E330 HydrophobicContact CD2-CB 3.98Å; Y257-E330 HydrophobicContact CE2-CB 3.83Å; Y257-E330 HydrophobicContact CE2-CG 4.45Å; Y257-E330 VanDerWaalsContact O-CB 3.25Å; Y257-E330 WeakPolarHBondContact O-CB 3.26Å; Y257-R331 WeakPolarHBondContact CD1-O 3.44Å; Y257-R331 HydrophobicContact CE1-CB 3.95Å; Y257-R331 WeakPolarHBondContact CE1-O 3.4Å; Y257-R331 PolarHBondContact N-O 3.03Å; Y257-R331 VanDerWaalsContact N-O 3.11Å; Y257-R331 PolarHBondContact OH-N 3.42Å; Y257-G333 VanDerWaalsContact CD1-CA 3.49Å
258	P	80.5	Confident	82.4	Confident	25 Å²	25	41.8 Å²	41.8	16%	0.162	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-70.1	146.4	174.8	-6.3	19.7	0	0	0	111.8	F234 L251 I261 S325	F234-P258 HydrophobicContact CD1-CG 4.23Å; F234-P258 HydrophobicContact CE1-CB 4.43Å; F234-P258 HydrophobicContact CE1-CG 3.59Å; L251-P258 HydrophobicContact CB-CG 4.18Å; L251-P258 HydrophobicContact CD1-CG 4.44Å; P258-I261 HydrophobicContact CB-CG2 3.92Å; P258-I261 HydrophobicContact CG-CD1 4.25Å; P258-I261 HydrophobicContact CG-CG2 4.21Å; P258-S325 PolarHBondContact O-OG 2.77Å
259	A	80.5	Confident	82.5	Confident	30 Å²	30	41.7 Å²	41.7	25%	0.248	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	154.2	166.2	0	0	0	0	0	112.4	I261 D326 E330	A259-I261 PolarHBondContact O-N 2.82Å; A259-D326 CarbonylContact C-O 3.5Å; A259-D326 VanDerWaalsContact CA-O 3.28Å; A259-D326 WeakPolarHBondContact CA-O 3.35Å; A259-D326 WeakPolarHBondContact CB-O 3.47Å; A259-E330 HydrophobicContact CB-CG 4.06Å
260	N	82.7	Confident	82.6	Confident	122 Å²	122	41.1 Å²	41.1	65%	0.652	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	37.5	174	-59.7	-83.2	0	0	0	115.2	S325 D326 G327	N260-S325 WeakPolarHBondContact CA-O 3.33Å; N260-S325 PolarHBondContact N-OG 2.62Å; N260-D326 PolarHBondContact N-O 3.36Å; N260-G327 WeakPolarHBondContact ND2-CA 3.31Å
261	I	83.9	Confident	82.6	Confident	22 Å²	22	45.4 Å²	45.4	11%	0.113	24%	0.237	C	C	.	.			trans	-104.3	148.9	175.7	63.2	162.8	0	0	0	112.7	L251 P258 A259 F323 S324 S325	L251-I261 HydrophobicContact CB-CD1 4.3Å; L251-I261 HydrophobicContact CD1-CD1 3.9Å; L251-I261 HydrophobicContact CG-CD1 4.12Å; P258-I261 HydrophobicContact CB-CG2 3.92Å; P258-I261 HydrophobicContact CG-CD1 4.25Å; P258-I261 HydrophobicContact CG-CG2 4.21Å; A259-I261 PolarHBondContact O-N 2.82Å; I261-F323 HydrophobicContact CD1-CD1 3.88Å; I261-F323 HydrophobicContact CD1-CE1 4Å; I261-F323 HydrophobicContact CG1-CD1 4.23Å; I261-F323 HydrophobicContact CG1-CE1 4.22Å; I261-S324 WeakPolarHBondContact O-CA 3.28Å; I261-S325 VanDerWaalsContact CG1-OG 3.22Å; I261-S325 WeakPolarHBondContact CG1-OG 3.24Å; I261-S325 PolarHBondContact N-OG 2.92Å; I261-S325 VanDerWaalsContact N-OG 3.15Å; I261-S325 PolarHBondContact O-N 3.07Å
262	Q	88.1	Confident	82.5	Confident	135 Å²	135	52.3 Å²	52.3	63%	0.631	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	110.6	164.6	-168.7	-178.4	7.4	0	0	109.3	T322 F323	Q262-T322 HydrophobicContact CG-CG2 4.28Å; Q262-F323 CarbonylContact C-O 3.17Å; Q262-F323 WeakPolarHBondContact CA-O 3.35Å
263	C	86.9	Confident	83.1	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.2	-172.7	-65.2	0	0	0	0	111.8	C237 W265 T322 F323	C237-C263 HydrophobicContact CB-CB 3.81Å; C237-C263 WeakPolarHBondContact CB-SG 3.31Å; C237-C263 WeakPolarHBondContact SG-CA 3.06Å; C237-C263 WeakPolarHBondContact SG-CB 3.4Å; C237-C263 CovalentContact SG-SG 2.04Å; C237-C263 PolarHBondContact SG-SG 3.12Å; C263-W265 HydrophobicContact CB-CH2 3.49Å; C263-W265 VanDerWaalsContact CB-CH2 3.49Å; C263-W265 HydrophobicContact CB-CZ2 3.85Å; C263-W265 HydrophobicContact CB-CZ3 3.86Å; C263-W265 WeakPolarHBondContact O-CZ3 3.46Å; C263-T322 CarbonylContact O-C 3.53Å; C263-T322 WeakPolarHBondContact O-CA 3.43Å; C263-F323 PolarHBondContact N-O 2.86Å; C263-F323 PolarHBondContact O-N 2.8Å
264	T	90.5	Very high	83.8	Confident	32 Å²	32	52.8 Å²	52.8	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	110.2	-172.4	-50.7	0	0	0	0	112.1	T238 R239 F321	T238-T264 CarbonylContact C-O 3.6Å; T238-T264 VanDerWaalsContact CA-O 3.23Å; T238-T264 WeakPolarHBondContact CA-O 3.36Å; T238-T264 PolarHBondContact OG1-N 2.77Å; R239-T264 PolarHBondContact N-O 2.93Å; T264-F321 CarbonylContact C-O 3.47Å; T264-F321 VanDerWaalsContact CA-O 3.27Å; T264-F321 WeakPolarHBondContact CA-O 3.47Å
265	W	90.7	Very high	84.8	Confident	31 Å²	31	51.5 Å²	51.5	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.5	174.5	-55.9	-91.4	0	0	0	110.5	V248 L251 C263 F267 S320 F321 F323 F334	V248-W265 HydrophobicContact CG1-CB 4.34Å; V248-W265 HydrophobicContact CG1-CD2 4.38Å; V248-W265 HydrophobicContact CG1-CG 4.34Å; L251-W265 HydrophobicContact CD2-CZ2 4.24Å; C263-W265 HydrophobicContact CB-CH2 3.49Å; C263-W265 VanDerWaalsContact CB-CH2 3.49Å; C263-W265 HydrophobicContact CB-CZ2 3.85Å; C263-W265 HydrophobicContact CB-CZ3 3.86Å; C263-W265 WeakPolarHBondContact O-CZ3 3.46Å; W265-F267 HydrophobicContact CB-CE2 3.6Å; W265-F267 HydrophobicContact CB-CZ 3.89Å; W265-S320 CarbonylContact O-C 3.59Å; W265-S320 WeakPolarHBondContact O-CA 3.46Å; W265-F321 HydrophobicContact CB-CB 4.42Å; W265-F321 HydrophobicContact CE3-CB 4.17Å; W265-F321 PolarHBondContact N-O 2.74Å; W265-F321 PolarHBondContact O-N 2.74Å; W265-F323 HydrophobicContact CH2-CB 4.31Å; W265-F323 HydrophobicContact CZ3-CB 3.81Å; W265-F334 HydrophobicContact CH2-CZ 4.4Å; W265-F334 HydrophobicContact CZ3-CE1 4.45Å; W265-F334 AromaticContact CZ3-CZ 3.92Å; W265-F334 HydrophobicContact CZ3-CZ 3.92Å
266	T	92.2	Very high	86	Confident	17 Å²	17	49 Å²	49	10%	0.104	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.6	179.1	-58.5	0	0	0	0	110.3	R239 T240 E241 Q318 V319 S320	R239-T266 PolarHBondContact O-N 3.11Å; T240-T266 CarbonylContact C-O 3.56Å; T240-T266 VanDerWaalsContact CA-O 3.27Å; T240-T266 WeakPolarHBondContact CA-O 3.22Å; T240-T266 HydrophobicContact CG2-CG2 4.09Å; E241-T266 PolarHBondContact N-O 3.41Å; T266-Q318 HydrophobicContact CG2-CG 4.04Å; T266-V319 WeakPolarHBondContact CA-O 3.28Å; T266-S320 PolarHBondContact OG1-OG 3.37Å
267	F	93	Very high	86.6	Confident	5 Å²	5	45.3 Å²	45.3	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.9	-179.4	-59.4	-79.8	0	0	0	111.7	E241 Q246 V248 W265 F276 Q318 V319 F321 I338	E241-F267 HydrophobicContact CB-CD1 4.07Å; E241-F267 HydrophobicContact CB-CE1 4.24Å; E241-F267 CarbonylContact O-C 3.56Å; E241-F267 WeakPolarHBondContact O-CA 3.23Å; Q246-F267 HydrophobicContact CG-CE1 3.95Å; Q246-F267 HydrophobicContact CG-CZ 4.23Å; V248-F267 HydrophobicContact CB-CE2 4.46Å; V248-F267 HydrophobicContact CG1-CE2 4.08Å; V248-F267 HydrophobicContact CG1-CZ 4.43Å; V248-F267 HydrophobicContact CG2-CD2 4.36Å; V248-F267 HydrophobicContact CG2-CE2 3.48Å; V248-F267 VanDerWaalsContact CG2-CE2 3.48Å; V248-F267 HydrophobicContact CG2-CZ 3.72Å; W265-F267 HydrophobicContact CB-CE2 3.6Å; W265-F267 HydrophobicContact CB-CZ 3.89Å; F267-F276 HydrophobicContact CB-CE2 3.96Å; F267-F276 HydrophobicContact CB-CZ 3.8Å; F267-F276 WeakPolarHBondContact O-CE2 3.06Å; F267-Q318 VanDerWaalsContact O-CA 3.3Å; F267-Q318 WeakPolarHBondContact O-CA 3.28Å; F267-V319 HydrophobicContact CB-CG1 3.99Å; F267-V319 HydrophobicContact CD2-CG1 4.47Å; F267-V319 PolarHBondContact N-O 2.87Å; F267-V319 PolarHBondContact O-N 2.78Å; F267-V319 VanDerWaalsContact O-N 3.07Å; F267-F321 HydrophobicContact CD2-CD2 4.12Å; F267-F321 HydrophobicContact CD2-CE2 4.18Å; F267-F321 HydrophobicContact CE2-CD2 4.13Å; F267-F321 HydrophobicContact CE2-CE2 4.39Å; F267-I338 HydrophobicContact CB-CD1 3.65Å; F267-I338 HydrophobicContact CD1-CD1 3.9Å; F267-I338 HydrophobicContact CD2-CD1 3.46Å; F267-I338 VanDerWaalsContact CD2-CD1 3.46Å; F267-I338 HydrophobicContact CE1-CD1 4.45Å; F267-I338 HydrophobicContact CE2-CD1 4.04Å; F267-I338 HydrophobicContact CG-CD1 3.36Å
268	E	92.3	Very high	87	Confident	63 Å²	63	45.2 Å²	45.2	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.6	174.9	-168.8	177.2	141.8	0	0	111.2	E241 V242 S243 K317	E241-E268 PolarHBondContact O-N 3.04Å; V242-E268 CarbonylContact C-O 3.52Å; V242-E268 VanDerWaalsContact CA-O 3.29Å; V242-E268 WeakPolarHBondContact CA-O 3.49Å; V242-E268 HydrophobicContact CG2-CB 4.4Å; S243-E268 PolarHBondContact N-O 2.89Å; E268-K317 CarbonylContact C-O 3.51Å; E268-K317 VanDerWaalsContact CA-O 3.27Å; E268-K317 WeakPolarHBondContact CA-O 3.42Å; E268-K317 HydrophobicContact CG-CD 3.91Å; E268-K317 HydrophobicContact CG-CG 4.36Å; E268-K317 WeakPolarHBondContact OE1-CE 3.47Å; E268-K317 IonicContact OE1-NZ 3.33Å; E268-K317 PolarHBondContact OE1-NZ 2.79Å; E268-K317 IonicContact OE2-NZ 3.55Å; E268-K317 PolarHBondContact OE2-NZ 3.03Å
269	T	90.1	Very high	87.4	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.018	24%	0.243	C	C	.	.			trans	-74.5	147.2	176.8	59.5	0	0	0	0	111.4	D271 Q274 F276 K317 A340	T269-D271 VanDerWaalsContact C-N 3.33Å; T269-D271 PolarHBondContact O-N 2.68Å; T269-D271 PolarHBondContact OG1-O 3.5Å; T269-Q274 HydrophobicContact CG2-CB 3.88Å; T269-F276 HydrophobicContact CG2-CD1 4.19Å; T269-F276 HydrophobicContact CG2-CD2 3.71Å; T269-F276 HydrophobicContact CG2-CE1 3.94Å; T269-F276 HydrophobicContact CG2-CE2 3.44Å; T269-F276 VanDerWaalsContact CG2-CE2 3.44Å; T269-F276 HydrophobicContact CG2-CG 4.09Å; T269-F276 HydrophobicContact CG2-CZ 3.57Å; T269-K317 PolarHBondContact N-O 2.89Å; T269-K317 WeakPolarHBondContact OG1-CA 3.5Å; T269-K317 VanDerWaalsContact OG1-CB 3.25Å; T269-K317 WeakPolarHBondContact OG1-CB 3.37Å; T269-A340 HydrophobicContact CG2-CB 3.85Å
270	P	89.2	Confident	87.7	Confident	70 Å²	70	44.7 Å²	44.7	46%	0.455	23%	0.231	S	C	.	.	S	Bend	trans	-60.6	-37.1	177.5	-25.6	34.9	0	0	0	114.4	V242 A244	V242-P270 HydrophobicContact CG1-CG 4.32Å; A244-P270 HydrophobicContact CB-CG 4.11Å
271	D	86.1	Confident	87.8	Confident	90 Å²	90	42.8 Å²	42.8	48%	0.481	22%	0.217	S	C	.	.	S	Bend	trans	-109.5	150.6	-179.1	-58.6	-70	0	0	0	112.3	T269 D273 Q274	T269-D271 VanDerWaalsContact C-N 3.33Å; T269-D271 PolarHBondContact O-N 2.68Å; T269-D271 PolarHBondContact OG1-O 3.5Å; D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 2.7Å; D271-Q274 HydrophobicContact CB-CG 4.17Å; D271-Q274 PolarHBondContact O-N 3.3Å; D271-Q274 PolarHBondContact OD2-NE2 2.63Å
272	Q	78.3	Confident	87.7	Confident	158 Å²	158	43.8 Å²	43.8	74%	0.738	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.2	-179.1	-61.4	-166.2	3.2	0	0	114.6	K346	Q272-K346 PolarHBondContact O-NZ 2.93Å
273	D	80.6	Confident	87.6	Confident	73 Å²	73	37.9 Å²	37.9	39%	0.39	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	16.4	176	-63.2	-36.8	0	0	0	112.1	D271 M342 D343 K346	D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 2.7Å; D273-M342 HydrophobicContact CB-CE 3.64Å; D273-M342 WeakPolarHBondContact O-CA 3.24Å; D273-D343 PolarHBondContact O-N 2.86Å; D273-K346 WeakPolarHBondContact OD1-CD 3.46Å; D273-K346 WeakPolarHBondContact OD1-CE 3.24Å; D273-K346 IonicContact OD1-NZ 2.66Å; D273-K346 PolarHBondContact OD1-NZ 3.4Å
274	Q	84.5	Confident	87.5	Confident	28 Å²	28	39.5 Å²	39.5	13%	0.131	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154	177.5	-72.8	162.5	4.5	0	0	112.3	T269 D271 A340 V341 M342	T269-Q274 HydrophobicContact CG2-CB 3.88Å; D271-Q274 HydrophobicContact CB-CG 4.17Å; D271-Q274 PolarHBondContact O-N 3.3Å; D271-Q274 PolarHBondContact OD2-NE2 2.63Å; Q274-A340 HydrophobicContact CB-CB 4.43Å; Q274-V341 CarbonylContact C-O 3.52Å; Q274-V341 VanDerWaalsContact CA-O 3.23Å; Q274-V341 WeakPolarHBondContact CA-O 3.35Å; Q274-M342 HydrophobicContact CG-SD 3.82Å
275	V	88.3	Confident	87.4	Confident	6 Å²	6	38 Å²	38	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159.3	168.2	-70.9	0	0	0	0	108.7	A340 V341 D343	V275-A340 WeakPolarHBondContact O-CA 3.09Å; V275-V341 HydrophobicContact CG2-CG2 4Å; V275-V341 PolarHBondContact N-O 2.86Å; V275-V341 PolarHBondContact O-N 2.91Å; V275-D343 HydrophobicContact CG1-CB 4.15Å; V275-D343 HydrophobicContact CG2-CB 4.21Å
276	F	90.6	Very high	87.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.9	173.1	-72.8	-73.8	0	0	0	110.8	S243 F267 T269 I278 F313 S314 V319 I338 K339 A340	S243-F276 WeakPolarHBondContact O-CE1 3.35Å; S243-F276 WeakPolarHBondContact O-CZ 3.24Å; F267-F276 HydrophobicContact CB-CE2 3.96Å; F267-F276 HydrophobicContact CB-CZ 3.8Å; F267-F276 WeakPolarHBondContact O-CE2 3.06Å; T269-F276 HydrophobicContact CG2-CD1 4.19Å; T269-F276 HydrophobicContact CG2-CD2 3.71Å; T269-F276 HydrophobicContact CG2-CE1 3.94Å; T269-F276 HydrophobicContact CG2-CE2 3.44Å; T269-F276 VanDerWaalsContact CG2-CE2 3.44Å; T269-F276 HydrophobicContact CG2-CG 4.09Å; T269-F276 HydrophobicContact CG2-CZ 3.57Å; F276-I278 HydrophobicContact CB-CD1 4.11Å; F276-I278 HydrophobicContact CB-CG1 4.08Å; F276-I278 WeakPolarHBondContact O-CD1 3.21Å; F276-F313 WeakPolarHBondContact O-CA 3.16Å; F276-S314 PolarHBondContact N-OG 3.16Å; F276-S314 PolarHBondContact O-N 2.91Å; F276-V319 HydrophobicContact CB-CG1 4.23Å; F276-V319 HydrophobicContact CD2-CB 4.09Å; F276-V319 HydrophobicContact CD2-CG1 3.43Å; F276-V319 VanDerWaalsContact CD2-CG1 3.43Å; F276-V319 HydrophobicContact CE2-CG1 3.91Å; F276-V319 HydrophobicContact CG-CG1 3.91Å; F276-I338 HydrophobicContact CD1-CB 3.99Å; F276-I338 HydrophobicContact CD1-CD1 4.06Å; F276-I338 HydrophobicContact CD1-CG1 4.26Å; F276-I338 HydrophobicContact CE1-CD1 3.89Å; F276-I338 HydrophobicContact CE1-CG1 4.36Å; F276-I338 HydrophobicContact CZ-CD1 4.41Å; F276-K339 WeakPolarHBondContact CA-O 2.92Å; F276-A340 HydrophobicContact CE1-CB 4.4Å
277	L	88.7	Confident	86.8	Confident	39 Å²	39	38.4 Å²	38.4	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.5	154.1	-179.4	72.6	0	0	0	107.5	T311 F313 I338 K339 V341	L277-T311 HydrophobicContact CD1-CG2 3.52Å; L277-T311 HydrophobicContact CG-CG2 4.26Å; L277-F313 HydrophobicContact CD1-CD1 4.18Å; L277-F313 HydrophobicContact CD1-CD2 4.28Å; L277-F313 HydrophobicContact CD1-CE1 3.67Å; L277-F313 HydrophobicContact CD1-CE2 3.76Å; L277-F313 HydrophobicContact CD1-CG 4.48Å; L277-F313 HydrophobicContact CD1-CZ 3.44Å; L277-F313 VanDerWaalsContact CD1-CZ 3.44Å; L277-I338 CarbonylContact O-C 3.27Å; L277-I338 VanDerWaalsContact O-CA 3.31Å; L277-I338 WeakPolarHBondContact O-CA 3.38Å; L277-K339 PolarHBondContact N-O 3.23Å; L277-K339 PolarHBondContact O-N 3.26Å; L277-V341 HydrophobicContact CB-CG1 4.2Å; L277-V341 HydrophobicContact CB-CG2 4.18Å
278	I	90.1	Very high	86.2	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.6	-176.8	-58.9	122.1	0	0	0	108.5	F276 L294 L296 T311 Y312 V319 F321 I338	F276-I278 HydrophobicContact CB-CD1 4.11Å; F276-I278 HydrophobicContact CB-CG1 4.08Å; F276-I278 WeakPolarHBondContact O-CD1 3.21Å; I278-L294 HydrophobicContact CG2-CD2 4.09Å; I278-L296 HydrophobicContact CD1-CD2 3.79Å; I278-T311 CarbonylContact O-C 3.48Å; I278-T311 VanDerWaalsContact O-CA 3.26Å; I278-T311 WeakPolarHBondContact O-CA 3.35Å; I278-Y312 PolarHBondContact N-O 3.19Å; I278-Y312 PolarHBondContact O-N 2.67Å; I278-V319 HydrophobicContact CD1-CG2 3.85Å; I278-V319 HydrophobicContact CG1-CG2 4.37Å; I278-F321 HydrophobicContact CG1-CZ 4.32Å; I278-F321 HydrophobicContact CG2-CE1 4.03Å; I278-F321 HydrophobicContact CG2-CZ 3.66Å; I278-I338 HydrophobicContact CB-CG2 4.19Å; I278-I338 HydrophobicContact CG1-CG2 3.66Å; I278-I338 HydrophobicContact CG2-CG2 4.09Å
279	T	88.9	Confident	85.8	Confident	45 Å²	45	42.6 Å²	42.6	28%	0.276	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118	177.1	-64	0	0	0	0	110.3	T311 A336 H337	T279-T311 PolarHBondContact OG1-OG1 2.79Å; T279-A336 CarbonylContact O-C 3.32Å; T279-A336 WeakPolarHBondContact O-CA 3.41Å; T279-H337 PolarHBondContact N-O 2.95Å; T279-H337 PolarHBondContact O-N 2.94Å
280	M	86.6	Confident	85.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	116	169.6	-62.4	-55.4	-62.5	0	0	108.2	A283 L292 I304 Q309 T310 Y312 F334 A336	M280-A283 HydrophobicContact CE-CB 4.45Å; M280-L292 HydrophobicContact CE-CD2 3.63Å; M280-L292 HydrophobicContact SD-CD2 4.29Å; M280-I304 HydrophobicContact CE-CD1 4.42Å; M280-I304 HydrophobicContact CE-CG2 4.47Å; M280-I304 HydrophobicContact CG-CD1 4.12Å; M280-I304 HydrophobicContact SD-CD1 4.16Å; M280-Q309 CarbonylContact O-C 3.58Å; M280-Q309 WeakPolarHBondContact O-CA 3.47Å; M280-Q309 PolarHBondContact O-N 3.43Å; M280-T310 PolarHBondContact N-O 2.72Å; M280-Y312 HydrophobicContact CG-CD2 4.38Å; M280-Y312 HydrophobicContact CG-CE2 4.11Å; M280-F334 HydrophobicContact CE-CB 4.17Å; M280-F334 HydrophobicContact CE-CD2 4.33Å; M280-A336 HydrophobicContact CE-CB 4.16Å; M280-A336 HydrophobicContact SD-CB 3.59Å; M280-A336 VanDerWaalsContact SD-CB 3.59Å
281	K	83.6	Confident	85.9	Confident	81 Å²	81	41.9 Å²	41.9	35%	0.352	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-43.8	174.7	-58.6	150.3	176.8	164.9	0	110	S308 D335	K281-S308 PolarHBondContact O-OG 2.97Å; K281-S308 VanDerWaalsContact O-OG 3.11Å; K281-D335 WeakPolarHBondContact CB-O 3.49Å; K281-D335 HydrophobicContact CD-CB 4.12Å; K281-D335 WeakPolarHBondContact CD-OD2 3.43Å; K281-D335 WeakPolarHBondContact CE-OD2 3.4Å; K281-D335 PolarHBondContact N-O 2.95Å; K281-D335 IonicContact NZ-OD1 2.74Å; K281-D335 PolarHBondContact NZ-OD1 2.85Å; K281-D335 IonicContact NZ-OD2 3.33Å; K281-D335 PolarHBondContact NZ-OD2 2.87Å
282	T	83.2	Confident	86.3	Confident	43 Å²	43	37.6 Å²	37.6	26%	0.264	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	146.5	177.4	-163.1	0	0	0	0	110.3	F253 F334 D335	F253-T282 HydrophobicContact CE2-CG2 3.86Å; F253-T282 HydrophobicContact CZ-CG2 3.84Å; T282-F334 VanDerWaalsContact O-CA 3.27Å; T282-F334 WeakPolarHBondContact O-CA 3.27Å; T282-F334 WeakPolarHBondContact O-CB 3.47Å; T282-D335 HydrophobicContact CG2-CB 4.39Å; T282-D335 PolarHBondContact N-O 2.82Å; T282-D335 PolarHBondContact O-N 2.83Å; T282-D335 VanDerWaalsContact O-N 3.07Å
283	A	84.9	Confident	87	Confident	12 Å²	12	33 Å²	33	10%	0.099	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.4	159.6	0	0	0	0	0	107.5	M280 I285 I304 C305 E307 F334	M280-A283 HydrophobicContact CE-CB 4.45Å; A283-I285 HydrophobicContact CB-CD1 4.02Å; A283-I285 HydrophobicContact CB-CG1 4.49Å; A283-I304 HydrophobicContact CB-CG2 4Å; A283-C305 WeakPolarHBondContact CB-O 3.35Å; A283-E307 WeakPolarHBondContact CB-O 3.22Å; A283-E307 PolarHBondContact N-O 2.81Å; A283-F334 HydrophobicContact CB-CB 4.28Å
284	D	86.1	Confident	87.6	Confident	33 Å²	33	29.6 Å²	29.6	18%	0.176	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	86.7	180	-180	2.8	0	0	0	105.6	R331 R332 G333	D284-R331 WeakPolarHBondContact O-CB 3.14Å; D284-R331 VanDerWaalsContact OD1-CD 3.27Å; D284-R331 WeakPolarHBondContact OD1-CD 3.23Å; D284-R332 HydrophobicContact CB-CB 4.45Å; D284-R332 IonicContact OD2-CZ 2.64Å; D284-R332 IonicContact OD2-NE 3.81Å; D284-R332 PolarHBondContact OD2-NE 2.8Å; D284-R332 IonicContact OD2-NH2 3.98Å; D284-R332 PolarHBondContact OD2-NH2 3.01Å; D284-G333 PolarHBondContact N-O 2.95Å; D284-G333 VanDerWaalsContact O-CA 3.24Å; D284-G333 WeakPolarHBondContact O-CA 3.26Å; D284-G333 PolarHBondContact O-N 2.75Å
285	I	88.3	Confident	88	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.			trans	-138.2	143.1	-163.7	-60.3	169.3	0	0	0	106.9	A283 C287 D290 L292 C305 F323 F334	A283-I285 HydrophobicContact CB-CD1 4.02Å; A283-I285 HydrophobicContact CB-CG1 4.49Å; I285-C287 PolarHBondContact O-N 2.97Å; I285-D290 VanDerWaalsContact CG2-C 3.47Å; I285-D290 HydrophobicContact CG2-CB 3.31Å; I285-D290 WeakPolarHBondContact CG2-O 3.4Å; I285-L292 HydrophobicContact CD1-CB 4.2Å; I285-C305 HydrophobicContact CB-CB 4.13Å; I285-C305 WeakPolarHBondContact CB-O 3.24Å; I285-C305 HydrophobicContact CG2-CB 4.06Å; I285-F323 HydrophobicContact CD1-CD2 4.38Å; I285-F323 HydrophobicContact CD1-CE2 3.89Å; I285-F323 HydrophobicContact CG1-CE2 4.06Å; I285-F323 HydrophobicContact CG2-CE2 4.02Å; I285-F334 HydrophobicContact CD1-CB 4.36Å; I285-F334 HydrophobicContact CD1-CD1 4.38Å
286	D	88.2	Confident	88	Confident	18 Å²	18	31.1 Å²	31.1	10%	0.096	18%	0.175	C	C	.	.			trans	-73.5	87.3	-175.8	-148.2	60.5	0	0	0	112.8	Y257 A289 D290 N329 R331	Y257-D286 PolarHBondContact OH-N 2.94Å; D286-A289 PolarHBondContact O-N 2.85Å; D286-A289 VanDerWaalsContact O-N 3.1Å; D286-D290 HydrophobicContact CB-CB 4.38Å; D286-D290 PolarHBondContact O-N 2.85Å; D286-N329 HydrophobicContact CB-CB 4.03Å; D286-N329 VanDerWaalsContact OD2-CB 3.23Å; D286-N329 WeakPolarHBondContact OD2-CB 3.16Å; D286-N329 PolarHBondContact OD2-ND2 3.12Å; D286-R331 HydrophobicContact CB-CG 4.38Å; D286-R331 IonicContact OD1-CZ 3.58Å; D286-R331 IonicContact OD1-NE 3.65Å; D286-R331 PolarHBondContact OD1-NE 3.04Å; D286-R331 IonicContact OD1-NH2 2.73Å; D286-R331 PolarHBondContact OD1-NH2 3.13Å
287	C	81.8	Confident	87.6	Confident	40 Å²	40	32.1 Å²	32.1	27%	0.27	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	139.9	176	-73.3	0	0	0	0	111.8	I285 C305 E306	I285-C287 PolarHBondContact O-N 2.97Å; C287-C305 VanDerWaalsContact CA-SG 3.55Å; C287-C305 HydrophobicContact CB-CB 4.05Å; C287-C305 WeakPolarHBondContact CB-SG 3.45Å; C287-C305 VanDerWaalsContact SG-C 3.6Å; C287-C305 WeakPolarHBondContact SG-CB 3.46Å; C287-C305 CovalentContact SG-SG 2.03Å; C287-C305 PolarHBondContact SG-SG 2.76Å; C287-E306 VanDerWaalsContact SG-CG 3.52Å; C287-E306 PolarHBondContact SG-N 2.9Å
288	P	79.2	Confident	87	Confident	121 Å²	121	37.7 Å²	37.7	79%	0.786	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	cis	-97.4	7.3	-10	39.8	-35.2	0	0	0	113.1
289	A	83.8	Confident	86.4	Confident	35 Å²	35	45.9 Å²	45.9	29%	0.289	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-50.2	-176	0	0	0	0	0	110.8	D286	D286-A289 PolarHBondContact O-N 2.85Å; D286-A289 VanDerWaalsContact O-N 3.1Å
290	D	90.9	Very high	86.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-94.5	142.2	176.7	-64.2	-10.7	0	0	0	110.3	Y257 I285 D286 C305 S324 S325 D326	Y257-D290 WeakPolarHBondContact CE2-OD2 3.14Å; Y257-D290 PolarHBondContact OH-OD2 2.94Å; I285-D290 VanDerWaalsContact CG2-C 3.47Å; I285-D290 HydrophobicContact CG2-CB 3.31Å; I285-D290 WeakPolarHBondContact CG2-O 3.4Å; D286-D290 HydrophobicContact CB-CB 4.38Å; D286-D290 PolarHBondContact O-N 2.85Å; D290-C305 WeakPolarHBondContact O-CB 3.3Å; D290-S324 WeakPolarHBondContact CA-O 3.29Å; D290-S325 WeakPolarHBondContact OD1-CA 3.31Å; D290-D326 PolarHBondContact OD1-N 2.81Å
291	Y	92.1	Very high	86	Confident	57 Å²	57	49.4 Å²	49.4	22%	0.224	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	149.7	177.6	60	-87.2	0	0	0	113.8	Q293 K303 S324	Y291-Q293 HydrophobicContact CD2-CB 4.12Å; Y291-Q293 HydrophobicContact CE2-CB 4.17Å; Y291-K303 HydrophobicContact CD2-CD 3.79Å; Y291-K303 HydrophobicContact CD2-CG 4.09Å; Y291-K303 HydrophobicContact CE2-CD 4.14Å; Y291-K303 HydrophobicContact CG-CD 4.07Å; Y291-K303 PolarHBondContact OH-NZ 3.23Å; Y291-S324 PolarHBondContact N-O 3.24Å; Y291-S324 PolarHBondContact O-N 2.82Å
292	L	93	Very high	86.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.8	162.5	176.5	64.4	0	0	0	109.4	M280 I285 I304 F321 F323 F334	M280-L292 HydrophobicContact CE-CD2 3.63Å; M280-L292 HydrophobicContact SD-CD2 4.29Å; I285-L292 HydrophobicContact CD1-CB 4.2Å; L292-I304 HydrophobicContact CB-CB 4.36Å; L292-I304 PolarHBondContact N-O 2.83Å; L292-I304 PolarHBondContact O-N 3.19Å; L292-F321 HydrophobicContact CD1-CB 4.13Å; L292-F321 HydrophobicContact CD1-CD1 4.25Å; L292-F321 HydrophobicContact CD2-CD1 4.3Å; L292-F323 HydrophobicContact CB-CD2 4.27Å; L292-F323 HydrophobicContact CD1-CB 4.18Å; L292-F334 HydrophobicContact CD1-CE1 3.94Å; L292-F334 HydrophobicContact CD1-CE2 4.28Å; L292-F334 HydrophobicContact CD1-CZ 3.82Å; L292-F334 HydrophobicContact CD2-CD1 4.13Å; L292-F334 HydrophobicContact CD2-CD2 3.76Å; L292-F334 HydrophobicContact CD2-CE1 4.3Å; L292-F334 HydrophobicContact CD2-CE2 3.93Å; L292-F334 HydrophobicContact CD2-CG 3.87Å; L292-F334 HydrophobicContact CD2-CZ 4.21Å
293	Q	92.7	Very high	86.5	Confident	63 Å²	63	50.6 Å²	50.6	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.2	169.8	-176.9	170.3	-12.4	0	0	110.4	Y291 S301 V302 K303 T322	Y291-Q293 HydrophobicContact CD2-CB 4.12Å; Y291-Q293 HydrophobicContact CE2-CB 4.17Å; Q293-S301 PolarHBondContact NE2-OG 3.14Å; Q293-V302 CarbonylContact C-O 2.96Å; Q293-V302 WeakPolarHBondContact CA-O 3.36Å; Q293-K303 HydrophobicContact CB-CG 4.34Å; Q293-K303 HydrophobicContact CG-CG 4.38Å; Q293-T322 PolarHBondContact N-O 2.92Å; Q293-T322 PolarHBondContact O-N 2.92Å
294	L	93.1	Very high	86.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107	177.5	176.4	58.8	0	0	0	109.6	I278 L296 S301 V302 I304 Y312 V319 F321	I278-L294 HydrophobicContact CG2-CD2 4.09Å; L294-L296 HydrophobicContact CD1-CD2 4.27Å; L294-L296 HydrophobicContact CD2-CD2 3.87Å; L294-L296 HydrophobicContact CG-CD2 3.77Å; L294-L296 HydrophobicContact CG-CG 4.4Å; L294-S301 CarbonylContact O-C 3.6Å; L294-S301 WeakPolarHBondContact O-CA 3.27Å; L294-S301 WeakPolarHBondContact O-CB 3.3Å; L294-V302 PolarHBondContact N-O 3.25Å; L294-V302 PolarHBondContact O-N 2.98Å; L294-I304 HydrophobicContact CB-CD1 4.37Å; L294-I304 HydrophobicContact CD2-CD1 4.33Å; L294-Y312 HydrophobicContact CD2-CD2 3.78Å; L294-Y312 HydrophobicContact CD2-CE2 4.33Å; L294-Y312 HydrophobicContact CD2-CG 3.98Å; L294-V319 HydrophobicContact CD1-CG2 3.56Å; L294-F321 HydrophobicContact CD1-CD1 3.96Å; L294-F321 HydrophobicContact CD1-CD2 4.2Å; L294-F321 HydrophobicContact CD1-CE1 3.74Å; L294-F321 HydrophobicContact CD1-CE2 3.98Å; L294-F321 HydrophobicContact CD1-CG 4.17Å; L294-F321 HydrophobicContact CD1-CZ 3.74Å
295	D	93.2	Very high	86.4	Confident	64 Å²	64	49.8 Å²	49.8	34%	0.342	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.3	170.6	-177.6	4.2	0	0	0	109.5	G297 V319 S320	D295-G297 VanDerWaalsContact C-N 3.32Å; D295-G297 WeakPolarHBondContact OD1-CA 3.44Å; D295-G297 PolarHBondContact OD1-N 3.25Å; D295-V319 WeakPolarHBondContact O-CG2 3.22Å; D295-S320 PolarHBondContact N-O 3.46Å; D295-S320 PolarHBondContact O-N 3Å
296	L	89.6	Confident	85.4	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-7.1	178.3	-59.4	177.4	0	0	0	112	I278 L294 E300 V302 Y312 S314 R315	I278-L296 HydrophobicContact CD1-CD2 3.79Å; L294-L296 HydrophobicContact CD1-CD2 4.27Å; L294-L296 HydrophobicContact CD2-CD2 3.87Å; L294-L296 HydrophobicContact CG-CD2 3.77Å; L294-L296 HydrophobicContact CG-CG 4.4Å; L296-E300 WeakPolarHBondContact CB-O 3.43Å; L296-E300 HydrophobicContact CD1-CG 4.42Å; L296-E300 PolarHBondContact N-O 2.55Å; L296-V302 HydrophobicContact CD1-CG2 4.36Å; L296-Y312 HydrophobicContact CD1-CD1 4.36Å; L296-S314 CarbonylContact O-C 3.53Å; L296-S314 WeakPolarHBondContact O-CA 3.04Å; L296-R315 HydrophobicContact CB-CG 4.33Å; L296-R315 WeakPolarHBondContact O-CB 3.39Å; L296-R315 PolarHBondContact O-N 3.21Å
297	G	82.4	Confident	84.4	Confident	21 Å²	21	57.8 Å²	57.8	22%	0.216	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.1	171.3	-173.1	0	0	0	0	0	113.4	D295 N299 E300	D295-G297 VanDerWaalsContact C-N 3.32Å; D295-G297 WeakPolarHBondContact OD1-CA 3.44Å; D295-G297 PolarHBondContact OD1-N 3.25Å; G297-N299 PolarHBondContact O-N 2.64Å; G297-E300 PolarHBondContact O-N 3.45Å; G297-E300 VanDerWaalsContact O-N 3.11Å
298	M	76.4	Confident	83.5	Confident	156 Å²	156	59.1 Å²	59.1	77%	0.768	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	34.8	-175.3	-58.6	-149	-69.9	0	0	114.7	E300 R315	M298-E300 PolarHBondContact O-N 2.83Å; M298-R315 HydrophobicContact CB-CB 4.02Å; M298-R315 HydrophobicContact CE-CB 3.81Å; M298-R315 HydrophobicContact CG-CB 3.89Å
299	N	76.6	Confident	83.1	Confident	172 Å²	172	60.9 Å²	60.9	92%	0.92	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	17.6	-176.2	-52.6	-17.9	0	0	0	114.9	G297	G297-N299 PolarHBondContact O-N 2.64Å
300	E	81.4	Confident	82.8	Confident	60 Å²	60	61 Å²	61	28%	0.28	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.5	173.9	-168	177.5	156	0	0	110.1	L296 G297 M298 R315	L296-E300 WeakPolarHBondContact CB-O 3.43Å; L296-E300 HydrophobicContact CD1-CG 4.42Å; L296-E300 PolarHBondContact N-O 2.55Å; G297-E300 PolarHBondContact O-N 3.45Å; G297-E300 VanDerWaalsContact O-N 3.11Å; M298-E300 PolarHBondContact O-N 2.83Å; E300-R315 HydrophobicContact CB-CG 4.49Å; E300-R315 VanDerWaalsContact CD-NH2 3.28Å; E300-R315 IonicContact OE1-CZ 3.18Å; E300-R315 IonicContact OE1-NE 2.74Å; E300-R315 IonicContact OE1-NH2 2.74Å; E300-R315 PolarHBondContact OE1-NH2 3.3Å; E300-R315 IonicContact OE2-CZ 3.15Å; E300-R315 IonicContact OE2-NE 2.79Å; E300-R315 PolarHBondContact OE2-NE 3.34Å; E300-R315 IonicContact OE2-NH2 2.69Å; E300-R315 PolarHBondContact OE2-NH2 3.47Å; E300-R315 VanDerWaalsContact OE2-NH2 3.12Å
301	S	86.2	Confident	82.4	Confident	59 Å²	59	63.2 Å²	63.2	41%	0.413	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.8	176.7	70.7	0	0	0	0	112.2	Q293 L294	Q293-S301 PolarHBondContact NE2-OG 3.14Å; L294-S301 CarbonylContact O-C 3.6Å; L294-S301 WeakPolarHBondContact O-CA 3.27Å; L294-S301 WeakPolarHBondContact O-CB 3.3Å
302	V	87.6	Confident	82.1	Confident	29 Å²	29	62.1 Å²	62.1	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.5	179.7	-172.3	0	0	0	0	109.3	Q293 L294 L296 I304 Y312	Q293-V302 CarbonylContact C-O 2.96Å; Q293-V302 WeakPolarHBondContact CA-O 3.36Å; L294-V302 PolarHBondContact N-O 3.25Å; L294-V302 PolarHBondContact O-N 2.98Å; L296-V302 HydrophobicContact CD1-CG2 4.36Å; V302-I304 HydrophobicContact CG1-CG1 4.01Å; V302-Y312 HydrophobicContact CB-CE1 4.41Å; V302-Y312 HydrophobicContact CG1-CE1 4.23Å; V302-Y312 HydrophobicContact CG2-CD1 4.33Å; V302-Y312 HydrophobicContact CG2-CE1 3.85Å
303	K	88.7	Confident	81.8	Confident	120 Å²	120	63.3 Å²	63.3	52%	0.522	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.9	164.6	-79.3	-163.1	171.8	-156.3	0	109.3	Y291 Q293	Y291-K303 HydrophobicContact CD2-CD 3.79Å; Y291-K303 HydrophobicContact CD2-CG 4.09Å; Y291-K303 HydrophobicContact CE2-CD 4.14Å; Y291-K303 HydrophobicContact CG-CD 4.07Å; Y291-K303 PolarHBondContact OH-NZ 3.23Å; Q293-K303 HydrophobicContact CB-CG 4.34Å; Q293-K303 HydrophobicContact CG-CG 4.38Å
304	I	88.1	Confident	81.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.1	-175.7	-55.9	173.5	0	0	0	107.4	M280 A283 L292 L294 V302 E307 Y312	M280-I304 HydrophobicContact CE-CD1 4.42Å; M280-I304 HydrophobicContact CE-CG2 4.47Å; M280-I304 HydrophobicContact CG-CD1 4.12Å; M280-I304 HydrophobicContact SD-CD1 4.16Å; A283-I304 HydrophobicContact CB-CG2 4Å; L292-I304 HydrophobicContact CB-CB 4.36Å; L292-I304 PolarHBondContact N-O 2.83Å; L292-I304 PolarHBondContact O-N 3.19Å; L294-I304 HydrophobicContact CB-CD1 4.37Å; L294-I304 HydrophobicContact CD2-CD1 4.33Å; V302-I304 HydrophobicContact CG1-CG1 4.01Å; I304-E307 HydrophobicContact CG2-CB 3.81Å; I304-E307 HydrophobicContact CG2-CG 3.95Å; I304-Y312 HydrophobicContact CD1-CE2 3.82Å
305	C	81.1	Confident	81.2	Confident	27 Å²	27	65.2 Å²	65.2	18%	0.182	34%	0.337	C	S	.	.	S	Bend	trans	-133.7	-46.7	165.9	57.7	0	0	0	0	109.8	A283 I285 C287 D290	A283-C305 WeakPolarHBondContact CB-O 3.35Å; I285-C305 HydrophobicContact CB-CB 4.13Å; I285-C305 WeakPolarHBondContact CB-O 3.24Å; I285-C305 HydrophobicContact CG2-CB 4.06Å; C287-C305 VanDerWaalsContact CA-SG 3.55Å; C287-C305 HydrophobicContact CB-CB 4.05Å; C287-C305 WeakPolarHBondContact CB-SG 3.45Å; C287-C305 VanDerWaalsContact SG-C 3.6Å; C287-C305 WeakPolarHBondContact SG-CB 3.46Å; C287-C305 CovalentContact SG-SG 2.03Å; C287-C305 PolarHBondContact SG-SG 2.76Å; D290-C305 WeakPolarHBondContact O-CB 3.3Å
306	E	68.5	Low	80.7	Confident	133 Å²	133	63.6 Å²	63.6	62%	0.621	34%	0.335	S	S	*	.	S	Bend	trans	-111.1	96.2	168.4	-80.9	169.7	-167.7	0	0	111.3	C287	C287-E306 VanDerWaalsContact SG-CG 3.52Å; C287-E306 PolarHBondContact SG-N 2.9Å
307	E	66.9	Low	80.6	Confident	52 Å²	52	67.1 Å²	67.1	24%	0.243	35%	0.351	C	S	.	.			trans	-147.3	141.7	165.9	-74.7	-158.2	120.2	0	0	111.5	A283 I304 T310 Y312	A283-E307 WeakPolarHBondContact CB-O 3.22Å; A283-E307 PolarHBondContact N-O 2.81Å; I304-E307 HydrophobicContact CG2-CB 3.81Å; I304-E307 HydrophobicContact CG2-CG 3.95Å; E307-T310 WeakPolarHBondContact OE1-CG2 3.24Å; E307-T310 PolarHBondContact OE1-OG1 2.96Å; E307-Y312 PolarHBondContact OE1-OH 3.11Å; E307-Y312 VanDerWaalsContact OE1-OH 3.05Å; E307-Y312 WeakPolarHBondContact OE2-CE2 3.43Å; E307-Y312 PolarHBondContact OE2-OH 3.3Å
308	S	62.9	Low	80.9	Confident	69 Å²	69	70.6 Å²	70.6	48%	0.483	36%	0.361	S	S	.	.	S	Bend	trans	-135.2	135.2	171.3	-171	0	0	0	0	110.5	K281 T310	K281-S308 PolarHBondContact O-OG 2.97Å; K281-S308 VanDerWaalsContact O-OG 3.11Å; S308-T310 PolarHBondContact O-N 2.69Å
309	Q	69.9	Low	81.7	Confident	157 Å²	157	63.3 Å²	63.3	73%	0.734	33%	0.325	S	S	*	.	S	Bend	trans	67.2	9.2	178.1	-49.7	-176.9	27.1	0	0	116.2	M280	M280-Q309 CarbonylContact O-C 3.58Å; M280-Q309 WeakPolarHBondContact O-CA 3.47Å; M280-Q309 PolarHBondContact O-N 3.43Å
310	T	76.8	Confident	82.5	Confident	39 Å²	39	56 Å²	56	24%	0.239	29%	0.288	C	S	.	.			trans	-65.2	150.6	171.6	-46.6	0	0	0	0	111.9	M280 E307 S308 Y312	M280-T310 PolarHBondContact N-O 2.72Å; E307-T310 WeakPolarHBondContact OE1-CG2 3.24Å; E307-T310 PolarHBondContact OE1-OG1 2.96Å; S308-T310 PolarHBondContact O-N 2.69Å; T310-Y312 HydrophobicContact CG2-CD2 4.27Å; T310-Y312 HydrophobicContact CG2-CE1 4.26Å; T310-Y312 HydrophobicContact CG2-CE2 3.55Å
311	T	83.2	Confident	83.1	Confident	45 Å²	45	53.1 Å²	53.1	28%	0.276	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.7	176.5	-68	0	0	0	0	111.8	L277 I278 T279	L277-T311 HydrophobicContact CD1-CG2 3.52Å; L277-T311 HydrophobicContact CG-CG2 4.26Å; I278-T311 CarbonylContact O-C 3.48Å; I278-T311 VanDerWaalsContact O-CA 3.26Å; I278-T311 WeakPolarHBondContact O-CA 3.35Å; T279-T311 PolarHBondContact OG1-OG1 2.79Å
312	Y	87.1	Confident	83.4	Confident	34 Å²	34	51.6 Å²	51.6	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	164	-175.1	-61.6	-82.9	0	0	0	111.7	I278 M280 L294 L296 V302 I304 E307 T310	I278-Y312 PolarHBondContact N-O 3.19Å; I278-Y312 PolarHBondContact O-N 2.67Å; M280-Y312 HydrophobicContact CG-CD2 4.38Å; M280-Y312 HydrophobicContact CG-CE2 4.11Å; L294-Y312 HydrophobicContact CD2-CD2 3.78Å; L294-Y312 HydrophobicContact CD2-CE2 4.33Å; L294-Y312 HydrophobicContact CD2-CG 3.98Å; L296-Y312 HydrophobicContact CD1-CD1 4.36Å; V302-Y312 HydrophobicContact CB-CE1 4.41Å; V302-Y312 HydrophobicContact CG1-CE1 4.23Å; V302-Y312 HydrophobicContact CG2-CD1 4.33Å; V302-Y312 HydrophobicContact CG2-CE1 3.85Å; I304-Y312 HydrophobicContact CD1-CE2 3.82Å; E307-Y312 PolarHBondContact OE1-OH 3.11Å; E307-Y312 VanDerWaalsContact OE1-OH 3.05Å; E307-Y312 WeakPolarHBondContact OE2-CE2 3.43Å; E307-Y312 PolarHBondContact OE2-OH 3.3Å; T310-Y312 HydrophobicContact CG2-CD2 4.27Å; T310-Y312 HydrophobicContact CG2-CE1 4.26Å; T310-Y312 HydrophobicContact CG2-CE2 3.55Å
313	F	86	Confident	83.6	Confident	26 Å²	26	50.2 Å²	50.2	11%	0.114	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.6	173.6	-75.7	-96.9	0	0	0	109.8	F276 L277 R315 V341 N358	F276-F313 WeakPolarHBondContact O-CA 3.16Å; L277-F313 HydrophobicContact CD1-CD1 4.18Å; L277-F313 HydrophobicContact CD1-CD2 4.28Å; L277-F313 HydrophobicContact CD1-CE1 3.67Å; L277-F313 HydrophobicContact CD1-CE2 3.76Å; L277-F313 HydrophobicContact CD1-CG 4.48Å; L277-F313 HydrophobicContact CD1-CZ 3.44Å; L277-F313 VanDerWaalsContact CD1-CZ 3.44Å; F313-R315 PolarHBondContact O-NH1 3.29Å; F313-R315 VanDerWaalsContact O-NH1 3.09Å; F313-V341 HydrophobicContact CE1-CG2 4.36Å; F313-N358 HydrophobicContact CD1-CB 3.84Å; F313-N358 HydrophobicContact CE1-CB 3.65Å; F313-N358 VanDerWaalsContact CE2-O 3.23Å; F313-N358 WeakPolarHBondContact CE2-O 3.46Å; F313-N358 HydrophobicContact CG-CB 4.39Å; F313-N358 HydrophobicContact CZ-CB 4.07Å
314	S	89.4	Confident	83.8	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.028	23%	0.234	C	C	.	.			trans	-66.2	157.3	171.4	70.9	0	0	0	0	111.9	F276 L296 G316	F276-S314 PolarHBondContact N-OG 3.16Å; F276-S314 PolarHBondContact O-N 2.91Å; L296-S314 CarbonylContact O-C 3.53Å; L296-S314 WeakPolarHBondContact O-CA 3.04Å; S314-G316 VanDerWaalsContact C-N 3.34Å; S314-G316 PolarHBondContact OG-O 3.17Å
315	R	83	Confident	83.9	Confident	99 Å²	99	45.7 Å²	45.7	37%	0.374	24%	0.238	S	C	.	.	S	Bend	trans	-94.2	8.9	-179.8	-59.6	-57.1	-178.9	-120.5	-2.7	113.3	L296 M298 E300 F313	L296-R315 HydrophobicContact CB-CG 4.33Å; L296-R315 WeakPolarHBondContact O-CB 3.39Å; L296-R315 PolarHBondContact O-N 3.21Å; M298-R315 HydrophobicContact CB-CB 4.02Å; M298-R315 HydrophobicContact CE-CB 3.81Å; M298-R315 HydrophobicContact CG-CB 3.89Å; E300-R315 HydrophobicContact CB-CG 4.49Å; E300-R315 VanDerWaalsContact CD-NH2 3.28Å; E300-R315 IonicContact OE1-CZ 3.18Å; E300-R315 IonicContact OE1-NE 2.74Å; E300-R315 IonicContact OE1-NH2 2.74Å; E300-R315 PolarHBondContact OE1-NH2 3.3Å; E300-R315 IonicContact OE2-CZ 3.15Å; E300-R315 IonicContact OE2-NE 2.79Å; E300-R315 PolarHBondContact OE2-NE 3.34Å; E300-R315 IonicContact OE2-NH2 2.69Å; E300-R315 PolarHBondContact OE2-NH2 3.47Å; E300-R315 VanDerWaalsContact OE2-NH2 3.12Å; F313-R315 PolarHBondContact O-NH1 3.29Å; F313-R315 VanDerWaalsContact O-NH1 3.09Å
316	G	82.6	Confident	84	Confident	29 Å²	29	46.5 Å²	46.5	30%	0.299	24%	0.24	S	C	.	.	S	Bend	trans	-179.9	-168.7	174.8	0	0	0	0	0	111	S314 Q318	S314-G316 VanDerWaalsContact C-N 3.34Å; S314-G316 PolarHBondContact OG-O 3.17Å; G316-Q318 PolarHBondContact O-N 3.22Å
317	K	87.7	Confident	84.4	Confident	77 Å²	77	41.4 Å²	41.4	34%	0.335	22%	0.224	S	C	.	.	S	Bend	trans	-61.8	-3.9	-178	65.7	160.8	-169.9	164.2	0	116.1	E268 T269	E268-K317 CarbonylContact C-O 3.51Å; E268-K317 VanDerWaalsContact CA-O 3.27Å; E268-K317 WeakPolarHBondContact CA-O 3.42Å; E268-K317 HydrophobicContact CG-CD 3.91Å; E268-K317 HydrophobicContact CG-CG 4.36Å; E268-K317 WeakPolarHBondContact OE1-CE 3.47Å; E268-K317 IonicContact OE1-NZ 3.33Å; E268-K317 PolarHBondContact OE1-NZ 2.79Å; E268-K317 IonicContact OE2-NZ 3.55Å; E268-K317 PolarHBondContact OE2-NZ 3.03Å; T269-K317 PolarHBondContact N-O 2.89Å; T269-K317 WeakPolarHBondContact OG1-CA 3.5Å; T269-K317 VanDerWaalsContact OG1-CB 3.25Å; T269-K317 WeakPolarHBondContact OG1-CB 3.37Å
318	Q	90	Very high	84.8	Confident	94 Å²	94	42.5 Å²	42.5	44%	0.439	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146	-170.7	-167.8	173.7	14.6	0	0	110.9	T266 F267 G316	T266-Q318 HydrophobicContact CG2-CG 4.04Å; F267-Q318 VanDerWaalsContact O-CA 3.3Å; F267-Q318 WeakPolarHBondContact O-CA 3.28Å; G316-Q318 PolarHBondContact O-N 3.22Å
319	V	92.7	Very high	85.5	Confident	2 Å²	2	44 Å²	44	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.6	174.6	64.5	0	0	0	0	109.1	T266 F267 F276 I278 L294 D295 F321	T266-V319 WeakPolarHBondContact CA-O 3.28Å; F267-V319 HydrophobicContact CB-CG1 3.99Å; F267-V319 HydrophobicContact CD2-CG1 4.47Å; F267-V319 PolarHBondContact N-O 2.87Å; F267-V319 PolarHBondContact O-N 2.78Å; F267-V319 VanDerWaalsContact O-N 3.07Å; F276-V319 HydrophobicContact CB-CG1 4.23Å; F276-V319 HydrophobicContact CD2-CB 4.09Å; F276-V319 HydrophobicContact CD2-CG1 3.43Å; F276-V319 VanDerWaalsContact CD2-CG1 3.43Å; F276-V319 HydrophobicContact CE2-CG1 3.91Å; F276-V319 HydrophobicContact CG-CG1 3.91Å; I278-V319 HydrophobicContact CD1-CG2 3.85Å; I278-V319 HydrophobicContact CG1-CG2 4.37Å; L294-V319 HydrophobicContact CD1-CG2 3.56Å; D295-V319 WeakPolarHBondContact O-CG2 3.22Å; V319-F321 HydrophobicContact CG1-CE2 4.06Å; V319-F321 HydrophobicContact CG2-CD2 4.49Å; V319-F321 HydrophobicContact CG2-CE2 3.97Å
320	S	92.9	Very high	86	Confident	19 Å²	19	39.4 Å²	39.4	13%	0.133	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.7	176	-56.6	0	0	0	0	112.4	W265 T266 D295	W265-S320 CarbonylContact O-C 3.59Å; W265-S320 WeakPolarHBondContact O-CA 3.46Å; T266-S320 PolarHBondContact OG1-OG 3.37Å; D295-S320 PolarHBondContact N-O 3.46Å; D295-S320 PolarHBondContact O-N 3Å
321	F	93.4	Very high	86.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.8	176.6	-67.5	-105.6	0	0	0	108.3	V248 T264 W265 F267 I278 L292 L294 V319 A336 I338	V248-F321 HydrophobicContact CG1-CB 4.46Å; V248-F321 HydrophobicContact CG1-CD1 4.31Å; V248-F321 HydrophobicContact CG1-CD2 4.41Å; V248-F321 HydrophobicContact CG1-CG 4.16Å; V248-F321 HydrophobicContact CG2-CE2 4.46Å; T264-F321 CarbonylContact C-O 3.47Å; T264-F321 VanDerWaalsContact CA-O 3.27Å; T264-F321 WeakPolarHBondContact CA-O 3.47Å; W265-F321 HydrophobicContact CB-CB 4.42Å; W265-F321 HydrophobicContact CE3-CB 4.17Å; W265-F321 PolarHBondContact N-O 2.74Å; W265-F321 PolarHBondContact O-N 2.74Å; F267-F321 HydrophobicContact CD2-CD2 4.12Å; F267-F321 HydrophobicContact CD2-CE2 4.18Å; F267-F321 HydrophobicContact CE2-CD2 4.13Å; F267-F321 HydrophobicContact CE2-CE2 4.39Å; I278-F321 HydrophobicContact CG1-CZ 4.32Å; I278-F321 HydrophobicContact CG2-CE1 4.03Å; I278-F321 HydrophobicContact CG2-CZ 3.66Å; L292-F321 HydrophobicContact CD1-CB 4.13Å; L292-F321 HydrophobicContact CD1-CD1 4.25Å; L292-F321 HydrophobicContact CD2-CD1 4.3Å; L294-F321 HydrophobicContact CD1-CD1 3.96Å; L294-F321 HydrophobicContact CD1-CD2 4.2Å; L294-F321 HydrophobicContact CD1-CE1 3.74Å; L294-F321 HydrophobicContact CD1-CE2 3.98Å; L294-F321 HydrophobicContact CD1-CG 4.17Å; L294-F321 HydrophobicContact CD1-CZ 3.74Å; V319-F321 HydrophobicContact CG1-CE2 4.06Å; V319-F321 HydrophobicContact CG2-CD2 4.49Å; V319-F321 HydrophobicContact CG2-CE2 3.97Å; F321-A336 HydrophobicContact CE1-CB 4.06Å; F321-I338 HydrophobicContact CE2-CG2 3.77Å; F321-I338 HydrophobicContact CZ-CG2 3.49Å; F321-I338 VanDerWaalsContact CZ-CG2 3.49Å
322	T	93.2	Very high	86.2	Confident	26 Å²	26	43.6 Å²	43.6	16%	0.16	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	98.6	178.5	-50.3	0	0	0	0	109.3	Q262 C263 Q293	Q262-T322 HydrophobicContact CG-CG2 4.28Å; C263-T322 CarbonylContact O-C 3.53Å; C263-T322 WeakPolarHBondContact O-CA 3.43Å; Q293-T322 PolarHBondContact N-O 2.92Å; Q293-T322 PolarHBondContact O-N 2.92Å
323	F	92.7	Very high	86.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134	173.7	-176.9	-108	0	0	0	110	Y257 I261 Q262 C263 W265 I285 L292 F334	Y257-F323 HydrophobicContact CD1-CE1 4.21Å; Y257-F323 AromaticContact CD1-CZ 3.66Å; Y257-F323 HydrophobicContact CD1-CZ 3.66Å; Y257-F323 AromaticContact CD2-CE1 3.9Å; Y257-F323 HydrophobicContact CD2-CE1 3.9Å; Y257-F323 AromaticContact CD2-CZ 3.81Å; Y257-F323 HydrophobicContact CD2-CZ 3.81Å; Y257-F323 AromaticContact CE1-CZ 3.78Å; Y257-F323 HydrophobicContact CE1-CZ 3.78Å; Y257-F323 HydrophobicContact CE2-CE1 4.41Å; Y257-F323 AromaticContact CE2-CZ 3.93Å; Y257-F323 HydrophobicContact CE2-CZ 3.93Å; Y257-F323 AromaticContact CG-CE1 3.8Å; Y257-F323 HydrophobicContact CG-CE1 3.8Å; Y257-F323 AromaticContact CG-CZ 3.69Å; Y257-F323 HydrophobicContact CG-CZ 3.69Å; Y257-F323 AromaticContact CZ-CZ 3.92Å; I261-F323 HydrophobicContact CD1-CD1 3.88Å; I261-F323 HydrophobicContact CD1-CE1 4Å; I261-F323 HydrophobicContact CG1-CD1 4.23Å; I261-F323 HydrophobicContact CG1-CE1 4.22Å; Q262-F323 CarbonylContact C-O 3.17Å; Q262-F323 WeakPolarHBondContact CA-O 3.35Å; C263-F323 PolarHBondContact N-O 2.86Å; C263-F323 PolarHBondContact O-N 2.8Å; W265-F323 HydrophobicContact CH2-CB 4.31Å; W265-F323 HydrophobicContact CZ3-CB 3.81Å; I285-F323 HydrophobicContact CD1-CD2 4.38Å; I285-F323 HydrophobicContact CD1-CE2 3.89Å; I285-F323 HydrophobicContact CG1-CE2 4.06Å; I285-F323 HydrophobicContact CG2-CE2 4.02Å; L292-F323 HydrophobicContact CB-CD2 4.27Å; L292-F323 HydrophobicContact CD1-CB 4.18Å; F323-F334 HydrophobicContact CB-CE1 3.86Å; F323-F334 HydrophobicContact CB-CZ 4.47Å; F323-F334 AromaticContact CD2-CD1 3.94Å; F323-F334 HydrophobicContact CD2-CD1 3.94Å; F323-F334 AromaticContact CD2-CE1 3.72Å; F323-F334 HydrophobicContact CD2-CE1 3.72Å; F323-F334 HydrophobicContact CE2-CD1 4.36Å; F323-F334 HydrophobicContact CE2-CE1 4.5Å; F323-F334 HydrophobicContact CG-CD1 4.48Å; F323-F334 AromaticContact CG-CE1 3.83Å; F323-F334 HydrophobicContact CG-CE1 3.83Å
324	S	91.4	Very high	86.3	Confident	14 Å²	14	40.7 Å²	40.7	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.4	176.8	-45	0	0	0	0	109.2	I261 D290 Y291	I261-S324 WeakPolarHBondContact O-CA 3.28Å; D290-S324 WeakPolarHBondContact CA-O 3.29Å; Y291-S324 PolarHBondContact N-O 3.24Å; Y291-S324 PolarHBondContact O-N 2.82Å
325	S	89.9	Confident	86.1	Confident	14 Å²	14	42 Å²	42	10%	0.098	21%	0.21	C	C	.	.			trans	-124.4	152.2	170.4	61	0	0	0	0	112.6	P258 N260 I261 D290	P258-S325 PolarHBondContact O-OG 2.77Å; N260-S325 WeakPolarHBondContact CA-O 3.33Å; N260-S325 PolarHBondContact N-OG 2.62Å; I261-S325 VanDerWaalsContact CG1-OG 3.22Å; I261-S325 WeakPolarHBondContact CG1-OG 3.24Å; I261-S325 PolarHBondContact N-OG 2.92Å; I261-S325 VanDerWaalsContact N-OG 3.15Å; I261-S325 PolarHBondContact O-N 3.07Å; D290-S325 WeakPolarHBondContact OD1-CA 3.31Å
326	D	83.8	Confident	86.4	Confident	43 Å²	43	37.2 Å²	37.2	23%	0.23	19%	0.192	C	C	.	.			trans	-96.2	-161.2	175.1	96.7	-10.4	0	0	0	112.1	A259 N260 D290 F328	A259-D326 CarbonylContact C-O 3.5Å; A259-D326 VanDerWaalsContact CA-O 3.28Å; A259-D326 WeakPolarHBondContact CA-O 3.35Å; A259-D326 WeakPolarHBondContact CB-O 3.47Å; N260-D326 PolarHBondContact N-O 3.36Å; D290-D326 PolarHBondContact OD1-N 2.81Å; D326-F328 WeakPolarHBondContact OD1-CD2 3.37Å; D326-F328 PolarHBondContact OD1-N 2.75Å
327	G	77.2	Confident	86.8	Confident	27 Å²	27	38.5 Å²	38.5	28%	0.278	19%	0.19	S	C	.	.	S	Bend	trans	-80.1	-1.5	-177.8	0	0	0	0	0	116.8	N260	N260-G327 WeakPolarHBondContact ND2-CA 3.31Å
328	F	76.2	Confident	87	Confident	74 Å²	74	34.8 Å²	34.8	33%	0.325	17%	0.174	S	C	.	.	S	Bend	trans	-135.1	167.5	-159	-53.4	-69.4	0	0	0	113.8	D326 E330 I838	D326-F328 WeakPolarHBondContact OD1-CD2 3.37Å; D326-F328 PolarHBondContact OD1-N 2.75Å; F328-E330 VanDerWaalsContact C-N 3.28Å; F328-E330 PolarHBondContact O-N 2.81Å; F328-I838 HydrophobicContact CE1-CB 4.27Å; F328-I838 HydrophobicContact CE1-CD1 3.53Å; F328-I838 HydrophobicContact CE1-CG1 3.78Å; F328-I838 HydrophobicContact CE2-CB 4.17Å; F328-I838 HydrophobicContact CZ-CB 3.6Å; F328-I838 HydrophobicContact CZ-CD1 3.64Å; F328-I838 HydrophobicContact CZ-CG1 3.65Å
329	N	75.9	Confident	87	Confident	102 Å²	102	34.1 Å²	34.1	55%	0.545	17%	0.17	S	C	.	.			trans	49	31.1	162.7	-62.7	-14.6	0	0	0	117.5	D286 R331	D286-N329 HydrophobicContact CB-CB 4.03Å; D286-N329 VanDerWaalsContact OD2-CB 3.23Å; D286-N329 WeakPolarHBondContact OD2-CB 3.16Å; D286-N329 PolarHBondContact OD2-ND2 3.12Å; N329-R331 WeakPolarHBondContact O-CG 3.33Å; N329-R331 PolarHBondContact O-N 2.78Å
330	E	80.3	Confident	86.9	Confident	60 Å²	60	34.9 Å²	34.9	28%	0.28	18%	0.176	S	C	.	.			trans	-61.5	126.7	-162.6	-40.8	97.5	131.1	0	0	111.8	K256 Y257 A259 F328	K256-E330 HydrophobicContact CB-CB 4.28Å; K256-E330 WeakPolarHBondContact CD-O 3.11Å; K256-E330 WeakPolarHBondContact CE-O 3.05Å; K256-E330 VanDerWaalsContact CG-O 3.23Å; K256-E330 WeakPolarHBondContact CG-O 3.42Å; K256-E330 PolarHBondContact NZ-O 2.84Å; K256-E330 IonicContact NZ-OE2 3.76Å; Y257-E330 HydrophobicContact CD2-CB 3.98Å; Y257-E330 HydrophobicContact CE2-CB 3.83Å; Y257-E330 HydrophobicContact CE2-CG 4.45Å; Y257-E330 VanDerWaalsContact O-CB 3.25Å; Y257-E330 WeakPolarHBondContact O-CB 3.26Å; A259-E330 HydrophobicContact CB-CG 4.06Å; F328-E330 VanDerWaalsContact C-N 3.28Å; F328-E330 PolarHBondContact O-N 2.81Å
331	R	84.2	Confident	86.6	Confident	91 Å²	91	36 Å²	36	34%	0.343	18%	0.182	S	C	.	.			trans	-103.6	-178.8	-176	-58	-159.9	-174.5	-163.4	6.1	111.9	K256 Y257 D284 D286 N329 G333	K256-R331 VanDerWaalsContact CA-O 3.27Å; K256-R331 WeakPolarHBondContact CA-O 3.01Å; Y257-R331 WeakPolarHBondContact CD1-O 3.44Å; Y257-R331 HydrophobicContact CE1-CB 3.95Å; Y257-R331 WeakPolarHBondContact CE1-O 3.4Å; Y257-R331 PolarHBondContact N-O 3.03Å; Y257-R331 VanDerWaalsContact N-O 3.11Å; Y257-R331 PolarHBondContact OH-N 3.42Å; D284-R331 WeakPolarHBondContact O-CB 3.14Å; D284-R331 VanDerWaalsContact OD1-CD 3.27Å; D284-R331 WeakPolarHBondContact OD1-CD 3.23Å; D286-R331 HydrophobicContact CB-CG 4.38Å; D286-R331 IonicContact OD1-CZ 3.58Å; D286-R331 IonicContact OD1-NE 3.65Å; D286-R331 PolarHBondContact OD1-NE 3.04Å; D286-R331 IonicContact OD1-NH2 2.73Å; D286-R331 PolarHBondContact OD1-NH2 3.13Å; N329-R331 WeakPolarHBondContact O-CG 3.33Å; N329-R331 PolarHBondContact O-N 2.78Å; R331-G333 PolarHBondContact O-N 2.7Å
332	R	80.8	Confident	85.9	Confident	80 Å²	80	40.8 Å²	40.8	30%	0.302	21%	0.206	S	C	.	.			trans	-65	-21	-177.3	-65.5	-179.6	-63.3	-173.9	-3.8	113.4	F253 P254 D284	F253-R332 WeakPolarHBondContact CD2-O 3.25Å; P254-R332 WeakPolarHBondContact O-CB 3.21Å; P254-R332 VanDerWaalsContact O-CG 3.29Å; P254-R332 WeakPolarHBondContact O-CG 3.27Å; D284-R332 HydrophobicContact CB-CB 4.45Å; D284-R332 IonicContact OD2-CZ 2.64Å; D284-R332 IonicContact OD2-NE 3.81Å; D284-R332 PolarHBondContact OD2-NE 2.8Å; D284-R332 IonicContact OD2-NH2 3.98Å; D284-R332 PolarHBondContact OD2-NH2 3.01Å
333	G	85.8	Confident	84.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.5	-139.2	176.8	0	0	0	0	0	113.1	S250 Y257 D284 R331	S250-G333 WeakPolarHBondContact OG-CA 3.45Å; Y257-G333 VanDerWaalsContact CD1-CA 3.49Å; D284-G333 PolarHBondContact N-O 2.95Å; D284-G333 VanDerWaalsContact O-CA 3.24Å; D284-G333 WeakPolarHBondContact O-CA 3.26Å; D284-G333 PolarHBondContact O-N 2.75Å; R331-G333 PolarHBondContact O-N 2.7Å
334	F	89.2	Confident	83.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152.7	-170.8	71.4	-86.4	0	0	0	113.9	V248 H249 S250 F253 W265 M280 T282 A283 I285 L292 F323 A336	V248-F334 HydrophobicContact CG1-CE2 4.27Å; H249-F334 WeakPolarHBondContact CA-O 3.45Å; H249-F334 VanDerWaalsContact CB-O 3.24Å; H249-F334 WeakPolarHBondContact CB-O 3.34Å; S250-F334 PolarHBondContact N-O 3.34Å; S250-F334 PolarHBondContact OG-N 3.04Å; F253-F334 VanDerWaalsContact CD2-C 3.5Å; F253-F334 VanDerWaalsContact CD2-O 3.22Å; F253-F334 WeakPolarHBondContact CD2-O 3.46Å; W265-F334 HydrophobicContact CH2-CZ 4.4Å; W265-F334 HydrophobicContact CZ3-CE1 4.45Å; W265-F334 AromaticContact CZ3-CZ 3.92Å; W265-F334 HydrophobicContact CZ3-CZ 3.92Å; M280-F334 HydrophobicContact CE-CB 4.17Å; M280-F334 HydrophobicContact CE-CD2 4.33Å; T282-F334 VanDerWaalsContact O-CA 3.27Å; T282-F334 WeakPolarHBondContact O-CA 3.27Å; T282-F334 WeakPolarHBondContact O-CB 3.47Å; A283-F334 HydrophobicContact CB-CB 4.28Å; I285-F334 HydrophobicContact CD1-CB 4.36Å; I285-F334 HydrophobicContact CD1-CD1 4.38Å; L292-F334 HydrophobicContact CD1-CE1 3.94Å; L292-F334 HydrophobicContact CD1-CE2 4.28Å; L292-F334 HydrophobicContact CD1-CZ 3.82Å; L292-F334 HydrophobicContact CD2-CD1 4.13Å; L292-F334 HydrophobicContact CD2-CD2 3.76Å; L292-F334 HydrophobicContact CD2-CE1 4.3Å; L292-F334 HydrophobicContact CD2-CE2 3.93Å; L292-F334 HydrophobicContact CD2-CG 3.87Å; L292-F334 HydrophobicContact CD2-CZ 4.21Å; F323-F334 HydrophobicContact CB-CE1 3.86Å; F323-F334 HydrophobicContact CB-CZ 4.47Å; F323-F334 AromaticContact CD2-CD1 3.94Å; F323-F334 HydrophobicContact CD2-CD1 3.94Å; F323-F334 AromaticContact CD2-CE1 3.72Å; F323-F334 HydrophobicContact CD2-CE1 3.72Å; F323-F334 HydrophobicContact CE2-CD1 4.36Å; F323-F334 HydrophobicContact CE2-CE1 4.5Å; F323-F334 HydrophobicContact CG-CD1 4.48Å; F323-F334 AromaticContact CG-CE1 3.83Å; F323-F334 HydrophobicContact CG-CE1 3.83Å; F334-A336 HydrophobicContact CD2-CB 4.35Å
335	D	86.2	Confident	82.6	Confident	30 Å²	30	46.9 Å²	46.9	16%	0.16	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.8	164.8	178.9	12.4	0	0	0	109.4	F253 K281 T282	F253-D335 HydrophobicContact CD1-CB 4.14Å; F253-D335 HydrophobicContact CE1-CB 3.58Å; F253-D335 HydrophobicContact CE2-CB 4.04Å; F253-D335 HydrophobicContact CZ-CB 3.53Å; K281-D335 WeakPolarHBondContact CB-O 3.49Å; K281-D335 HydrophobicContact CD-CB 4.12Å; K281-D335 WeakPolarHBondContact CD-OD2 3.43Å; K281-D335 WeakPolarHBondContact CE-OD2 3.4Å; K281-D335 PolarHBondContact N-O 2.95Å; K281-D335 IonicContact NZ-OD1 2.74Å; K281-D335 PolarHBondContact NZ-OD1 2.85Å; K281-D335 IonicContact NZ-OD2 3.33Å; K281-D335 PolarHBondContact NZ-OD2 2.87Å; T282-D335 HydrophobicContact CG2-CB 4.39Å; T282-D335 PolarHBondContact N-O 2.82Å; T282-D335 PolarHBondContact O-N 2.83Å; T282-D335 VanDerWaalsContact O-N 3.07Å
336	A	89.3	Confident	81.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	154	-179.9	0	0	0	0	0	110.4	S247 V248 T279 M280 F321 F334	S247-A336 CarbonylContact C-O 3.59Å; S247-A336 WeakPolarHBondContact CA-O 3.25Å; V248-A336 PolarHBondContact N-O 3.24Å; V248-A336 PolarHBondContact O-N 3.26Å; T279-A336 CarbonylContact O-C 3.32Å; T279-A336 WeakPolarHBondContact O-CA 3.41Å; M280-A336 HydrophobicContact CE-CB 4.16Å; M280-A336 HydrophobicContact SD-CB 3.59Å; M280-A336 VanDerWaalsContact SD-CB 3.59Å; F321-A336 HydrophobicContact CE1-CB 4.06Å; F334-A336 HydrophobicContact CD2-CB 4.35Å
337	H	89.4	Confident	80.4	Confident	55 Å²	55	55.5 Å²	55.5	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	121.8	178.9	-176.4	-76.8	0	0	0	110.6	E245 S247 T279	E245-H337 IonicContact OE1-CE1 4Å; E245-H337 PolarHBondContact OE1-CE1 2.93Å; E245-H337 VanDerWaalsContact OE1-CE1 3.27Å; E245-H337 IonicContact OE1-NE2 2.7Å; S247-H337 PolarHBondContact OG-CD2 2.92Å; T279-H337 PolarHBondContact N-O 2.95Å; T279-H337 PolarHBondContact O-N 2.94Å
338	I	91.6	Very high	79.8	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.4	177.6	64.8	173	0	0	0	111.5	E245 Q246 V248 F267 F276 L277 I278 F321	E245-I338 WeakPolarHBondContact CA-O 3.27Å; Q246-I338 HydrophobicContact CB-CD1 4.13Å; Q246-I338 HydrophobicContact CB-CG1 3.81Å; Q246-I338 PolarHBondContact N-O 2.85Å; Q246-I338 WeakPolarHBondContact O-CG1 3.08Å; Q246-I338 PolarHBondContact O-N 2.93Å; V248-I338 HydrophobicContact CG2-CD1 4.28Å; V248-I338 HydrophobicContact CG2-CG1 4.29Å; V248-I338 HydrophobicContact CG2-CG2 4.44Å; F267-I338 HydrophobicContact CB-CD1 3.65Å; F267-I338 HydrophobicContact CD1-CD1 3.9Å; F267-I338 HydrophobicContact CD2-CD1 3.46Å; F267-I338 VanDerWaalsContact CD2-CD1 3.46Å; F267-I338 HydrophobicContact CE1-CD1 4.45Å; F267-I338 HydrophobicContact CE2-CD1 4.04Å; F267-I338 HydrophobicContact CG-CD1 3.36Å; F276-I338 HydrophobicContact CD1-CB 3.99Å; F276-I338 HydrophobicContact CD1-CD1 4.06Å; F276-I338 HydrophobicContact CD1-CG1 4.26Å; F276-I338 HydrophobicContact CE1-CD1 3.89Å; F276-I338 HydrophobicContact CE1-CG1 4.36Å; F276-I338 HydrophobicContact CZ-CD1 4.41Å; L277-I338 CarbonylContact O-C 3.27Å; L277-I338 VanDerWaalsContact O-CA 3.31Å; L277-I338 WeakPolarHBondContact O-CA 3.38Å; I278-I338 HydrophobicContact CB-CG2 4.19Å; I278-I338 HydrophobicContact CG1-CG2 3.66Å; I278-I338 HydrophobicContact CG2-CG2 4.09Å; F321-I338 HydrophobicContact CE2-CG2 3.77Å; F321-I338 HydrophobicContact CZ-CG2 3.49Å; F321-I338 VanDerWaalsContact CZ-CG2 3.49Å
339	K	91.5	Very high	79.2	Confident	79 Å²	79	60 Å²	60	34%	0.343	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	126.4	177.8	-170.7	-175.6	-172.4	75.6	0	110.4	E245 F276 L277 V341	E245-K339 HydrophobicContact CG-CB 4.42Å; E245-K339 HydrophobicContact CG-CG 4.24Å; E245-K339 WeakPolarHBondContact OE1-CD 3.21Å; E245-K339 IonicContact OE1-NZ 3.73Å; E245-K339 PolarHBondContact OE1-NZ 2.81Å; E245-K339 IonicContact OE2-NZ 3.04Å; E245-K339 PolarHBondContact OE2-NZ 2.53Å; F276-K339 WeakPolarHBondContact CA-O 2.92Å; L277-K339 PolarHBondContact N-O 3.23Å; L277-K339 PolarHBondContact O-N 3.26Å; K339-V341 PolarHBondContact O-N 3.36Å
340	A	90.2	Very high	78.8	Confident	18 Å²	18	55.9 Å²	55.9	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.7	173	0	0	0	0	0	109.9	A244 T269 Q274 V275 F276	A244-A340 WeakPolarHBondContact O-CB 3.33Å; A244-A340 PolarHBondContact O-N 3.07Å; T269-A340 HydrophobicContact CG2-CB 3.85Å; Q274-A340 HydrophobicContact CB-CB 4.43Å; V275-A340 WeakPolarHBondContact O-CA 3.09Å; F276-A340 HydrophobicContact CE1-CB 4.4Å
341	V	86.3	Confident	78.2	Confident	42 Å²	42	55.7 Å²	55.7	26%	0.255	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.2	177.8	-63.2	0	0	0	0	109.5	Q274 V275 L277 F313 K339 D343	Q274-V341 CarbonylContact C-O 3.52Å; Q274-V341 VanDerWaalsContact CA-O 3.23Å; Q274-V341 WeakPolarHBondContact CA-O 3.35Å; V275-V341 HydrophobicContact CG2-CG2 4Å; V275-V341 PolarHBondContact N-O 2.86Å; V275-V341 PolarHBondContact O-N 2.91Å; L277-V341 HydrophobicContact CB-CG1 4.2Å; L277-V341 HydrophobicContact CB-CG2 4.18Å; F313-V341 HydrophobicContact CE1-CG2 4.36Å; K339-V341 PolarHBondContact O-N 3.36Å; V341-D343 PolarHBondContact O-N 2.67Å
342	M	78.7	Confident	77.2	Confident	102 Å²	102	54.4 Å²	54.4	50%	0.502	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.5	177.8	-66.4	-62.3	-60.1	0	0	110.6	D273 Q274 K344	D273-M342 HydrophobicContact CB-CE 3.64Å; D273-M342 WeakPolarHBondContact O-CA 3.24Å; Q274-M342 HydrophobicContact CG-SD 3.82Å; M342-K344 PolarHBondContact O-N 2.78Å
343	D	70.9	Confident	76.4	Confident	32 Å²	32	58 Å²	58	17%	0.171	30%	0.304	C	S	.	.			trans	-72.2	110.8	173.8	179.4	18.4	0	0	0	110.3	D273 V275 V341 C345 K346 N358	D273-D343 PolarHBondContact O-N 2.86Å; V275-D343 HydrophobicContact CG1-CB 4.15Å; V275-D343 HydrophobicContact CG2-CB 4.21Å; V341-D343 PolarHBondContact O-N 2.67Å; D343-C345 WeakPolarHBondContact OD1-CB 3.07Å; D343-C345 PolarHBondContact OD1-N 2.6Å; D343-K346 HydrophobicContact CB-CB 4.33Å; D343-K346 WeakPolarHBondContact OD2-CB 3.38Å; D343-K346 PolarHBondContact OD2-N 2.88Å; D343-N358 PolarHBondContact OD1-ND2 3.45Å
344	K	68	Low	75.5	Confident	107 Å²	107	58.7 Å²	58.7	47%	0.465	31%	0.309	S	S	.	.	S	Bend	trans	-80.6	-26.3	177.3	-67.7	-168.8	-175.7	173	0	112.3	M342 K346 N347 F348 N358 G362 A364	M342-K344 PolarHBondContact O-N 2.78Å; K344-K346 VanDerWaalsContact C-N 3.27Å; K344-K346 PolarHBondContact O-N 3.26Å; K344-N347 CarbonylContact O-C 3.59Å; K344-N347 PolarHBondContact O-N 2.89Å; K344-F348 WeakPolarHBondContact O-CB 3.44Å; K344-F348 PolarHBondContact O-N 2.91Å; K344-N358 PolarHBondContact N-OD1 3.13Å; K344-G362 VanDerWaalsContact CD-O 3.27Å; K344-G362 WeakPolarHBondContact CD-O 3.49Å; K344-G362 WeakPolarHBondContact CE-O 3.29Å; K344-G362 PolarHBondContact NZ-O 2.79Å; K344-A364 HydrophobicContact CB-CB 4.07Å
345	C	68.3	Low	74.6	Confident	28 Å²	28	63 Å²	63	19%	0.189	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-62.4	-35.3	176.8	-69.3	0	0	0	0	112	D343 N347 F348 C356	D343-C345 WeakPolarHBondContact OD1-CB 3.07Å; D343-C345 PolarHBondContact OD1-N 2.6Å; C345-N347 PolarHBondContact O-N 3.47Å; C345-N347 VanDerWaalsContact O-N 3.11Å; C345-F348 CarbonylContact O-C 3.57Å; C345-F348 PolarHBondContact O-N 2.8Å; C345-C356 WeakPolarHBondContact CA-SG 3.5Å; C345-C356 HydrophobicContact CB-CB 3.65Å; C345-C356 WeakPolarHBondContact CB-SG 3.32Å; C345-C356 VanDerWaalsContact SG-C 3.51Å; C345-C356 WeakPolarHBondContact SG-CB 3.5Å; C345-C356 CovalentContact SG-SG 2.04Å; C345-C356 PolarHBondContact SG-SG 3.06Å
346	K	66.2	Low	73.9	Confident	113 Å²	113	63.1 Å²	63.1	49%	0.491	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-53.8	-28.8	172	-144.9	175.4	-173.7	-173.3	0	114.3	Q272 D273 D343 K344	Q272-K346 PolarHBondContact O-NZ 2.93Å; D273-K346 WeakPolarHBondContact OD1-CD 3.46Å; D273-K346 WeakPolarHBondContact OD1-CE 3.24Å; D273-K346 IonicContact OD1-NZ 2.66Å; D273-K346 PolarHBondContact OD1-NZ 3.4Å; D343-K346 HydrophobicContact CB-CB 4.33Å; D343-K346 WeakPolarHBondContact OD2-CB 3.38Å; D343-K346 PolarHBondContact OD2-N 2.88Å; K344-K346 VanDerWaalsContact C-N 3.27Å; K344-K346 PolarHBondContact O-N 3.26Å
347	N	61.7	Low	73	Confident	125 Å²	125	68.5 Å²	68.5	67%	0.668	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-110.8	2.7	179.4	-69.6	-72.3	0	0	0	113.5	K344 C345	K344-N347 CarbonylContact O-C 3.59Å; K344-N347 PolarHBondContact O-N 2.89Å; C345-N347 PolarHBondContact O-N 3.47Å; C345-N347 VanDerWaalsContact O-N 3.11Å
348	F	64.2	Low	71.8	Confident	80 Å²	80	67.2 Å²	67.2	35%	0.351	36%	0.357	S	S	.	.			trans	-131.5	70.8	-174.7	-156.9	-101.4	0	0	0	110.7	K344 C345 C350 A364 N376	K344-F348 WeakPolarHBondContact O-CB 3.44Å; K344-F348 PolarHBondContact O-N 2.91Å; C345-F348 CarbonylContact O-C 3.57Å; C345-F348 PolarHBondContact O-N 2.8Å; F348-C350 PolarHBondContact O-N 2.88Å; F348-A364 HydrophobicContact CB-CB 4.27Å; F348-A364 HydrophobicContact CD1-CB 3.97Å; F348-A364 HydrophobicContact CG-CB 4.26Å; F348-N376 WeakPolarHBondContact CE1-OD1 3.45Å; F348-N376 VanDerWaalsContact CZ-OD1 3.25Å; F348-N376 WeakPolarHBondContact CZ-OD1 3.23Å
349	P	63.5	Low	70.6	Confident	115 Å²	115	69.6 Å²	69.6	75%	0.747	37%	0.371	S	S	*	.			trans	-69.6	103.5	178.4	29.1	-34.1	0	0	0	109.8
350	C	67.5	Low	68.8	Low	17 Å²	17	70.4 Å²	70.4	12%	0.115	38%	0.379	C	S	.	.			trans	-62.9	126.9	176.1	-56.8	0	0	0	0	110.4	F348 S354 C356 C366	F348-C350 PolarHBondContact O-N 2.88Å; C350-S354 WeakPolarHBondContact CB-OG 3.48Å; C350-C356 VanDerWaalsContact SG-CB 3.6Å; C350-C366 HydrophobicContact CB-CB 3.64Å; C350-C366 WeakPolarHBondContact CB-SG 3.2Å; C350-C366 VanDerWaalsContact SG-CA 3.55Å; C350-C366 WeakPolarHBondContact SG-CB 3.48Å; C350-C366 CovalentContact SG-SG 2.03Å; C350-C366 PolarHBondContact SG-SG 2.7Å
351	P	68.7	Low	67.1	Low	55 Å²	55	77.6 Å²	77.6	36%	0.357	42%	0.415	S	S	.	.	S	Bend	trans	-69	177.4	-178.3	28.4	-37.3	0	0	0	113.3	N353 S354 N376	P351-N353 PolarHBondContact O-N 2.84Å; P351-N353 VanDerWaalsContact O-N 3.11Å; P351-S354 WeakPolarHBondContact O-CB 3.29Å; P351-S354 PolarHBondContact O-N 2.89Å; P351-S354 PolarHBondContact O-OG 3.1Å; P351-N376 WeakPolarHBondContact CD-O 3.32Å; P351-N376 WeakPolarHBondContact CG-O 3.35Å
352	N	63.1	Low	65.6	Low	65 Å²	65	76.8 Å²	76.8	35%	0.348	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	30	172.5	-57.7	-34.3	0	0	0	114.8	S354 P369 Y372 C377	N352-S354 VanDerWaalsContact C-N 3.29Å; N352-S354 PolarHBondContact O-N 2.66Å; N352-P369 WeakPolarHBondContact O-CG 3.43Å; N352-Y372 HydrophobicContact CB-CD1 3.74Å; N352-Y372 HydrophobicContact CB-CD2 4.31Å; N352-Y372 HydrophobicContact CB-CE1 3.59Å; N352-Y372 HydrophobicContact CB-CE2 4.17Å; N352-Y372 HydrophobicContact CB-CG 4.08Å; N352-Y372 WeakPolarHBondContact ND2-CD1 3.36Å; N352-Y372 VanDerWaalsContact ND2-CE1 3.31Å; N352-Y372 WeakPolarHBondContact ND2-CE1 3.36Å; N352-C377 PolarHBondContact ND2-O 2.74Å
353	N	63.3	Low	64.8	Low	154 Å²	154	75.8 Å²	75.8	82%	0.824	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	30.1	177.8	-151.8	76.5	0	0	0	114	P351	P351-N353 PolarHBondContact O-N 2.84Å; P351-N353 VanDerWaalsContact O-N 3.11Å
354	S	68.3	Low	64.6	Low	15 Å²	15	75.2 Å²	75.2	11%	0.105	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-84.3	155.3	175.2	55.1	0	0	0	0	112.9	C350 P351 N352 T367 C377	C350-S354 WeakPolarHBondContact CB-OG 3.48Å; P351-S354 WeakPolarHBondContact O-CB 3.29Å; P351-S354 PolarHBondContact O-N 2.89Å; P351-S354 PolarHBondContact O-OG 3.1Å; N352-S354 VanDerWaalsContact C-N 3.29Å; N352-S354 PolarHBondContact O-N 2.66Å; S354-T367 VanDerWaalsContact CB-O 3.29Å; S354-T367 WeakPolarHBondContact CB-O 3.37Å; S354-C377 WeakPolarHBondContact CB-SG 3.44Å
355	V	69.5	Low	64.6	Low	92 Å²	92	75.3 Å²	75.3	56%	0.558	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.5	-173.3	177.9	0	0	0	0	110.2	T367	V355-T367 PolarHBondContact N-O 3.08Å; V355-T367 PolarHBondContact O-N 3.39Å; V355-T367 PolarHBondContact O-OG1 2.86Å
356	C	72	Confident	64.9	Low	32 Å²	32	74.4 Å²	74.4	22%	0.216	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	134.1	174.6	-174.1	0	0	0	0	111.4	C345 C350 E365	C345-C356 WeakPolarHBondContact CA-SG 3.5Å; C345-C356 HydrophobicContact CB-CB 3.65Å; C345-C356 WeakPolarHBondContact CB-SG 3.32Å; C345-C356 VanDerWaalsContact SG-C 3.51Å; C345-C356 WeakPolarHBondContact SG-CB 3.5Å; C345-C356 CovalentContact SG-SG 2.04Å; C345-C356 PolarHBondContact SG-SG 3.06Å; C350-C356 VanDerWaalsContact SG-CB 3.6Å; C356-E365 CarbonylContact C-O 3.46Å; C356-E365 WeakPolarHBondContact CA-O 3.32Å
357	K	69.8	Low	65.2	Low	112 Å²	112	71.5 Å²	71.5	49%	0.487	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.7	168.8	-63	-176.1	-179.2	-178.3	0	109.1	A364 E365 T367	K357-A364 WeakPolarHBondContact O-CA 3.49Å; K357-E365 PolarHBondContact N-O 3.35Å; K357-E365 PolarHBondContact O-N 2.91Å; K357-T367 HydrophobicContact CD-CG2 3.96Å
358	N	65.1	Low	65.4	Low	29 Å²	29	68 Å²	68	16%	0.155	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.3	163.4	-70.8	-61.7	0	0	0	108	F313 D343 K344	F313-N358 HydrophobicContact CD1-CB 3.84Å; F313-N358 HydrophobicContact CE1-CB 3.65Å; F313-N358 VanDerWaalsContact CE2-O 3.23Å; F313-N358 WeakPolarHBondContact CE2-O 3.46Å; F313-N358 HydrophobicContact CG-CB 4.39Å; F313-N358 HydrophobicContact CZ-CB 4.07Å; D343-N358 PolarHBondContact OD1-ND2 3.45Å; K344-N358 PolarHBondContact N-OD1 3.13Å
359	V	65	Low	65.5	Low	50 Å²	50	66.2 Å²	66.2	30%	0.303	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	158.5	-176.6	-174.2	0	0	0	0	109.8	N361 G362 V363 E365	V359-N361 PolarHBondContact O-N 3.23Å; V359-G362 WeakPolarHBondContact O-CA 3.38Å; V359-G362 PolarHBondContact O-N 2.92Å; V359-V363 PolarHBondContact N-O 2.95Å; V359-V363 PolarHBondContact O-N 2.91Å; V359-E365 HydrophobicContact CG2-CB 3.52Å; V359-E365 WeakPolarHBondContact CG2-OE2 3.48Å
360	N	54.1	Low	65.1	Low	95 Å²	95	65.2 Å²	65.2	51%	0.508	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	139.9	171	-70.8	-19.7	0	0	0	111.7	G362	N360-G362 VanDerWaalsContact C-N 3.28Å
361	N	55.7	Low	64.8	Low	169 Å²	169	65.1 Å²	65.1	90%	0.904	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	7	-163.8	-50.4	-49.1	0	0	0	116	V359	V359-N361 PolarHBondContact O-N 3.23Å
362	G	54.3	Low	64.9	Low	26 Å²	26	65.6 Å²	65.6	27%	0.268	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	46.9	175	0	0	0	0	0	112.4	K344 V359 N360	K344-G362 VanDerWaalsContact CD-O 3.27Å; K344-G362 WeakPolarHBondContact CD-O 3.49Å; K344-G362 WeakPolarHBondContact CE-O 3.29Å; K344-G362 PolarHBondContact NZ-O 2.79Å; V359-G362 WeakPolarHBondContact O-CA 3.38Å; V359-G362 PolarHBondContact O-N 2.92Å; N360-G362 VanDerWaalsContact C-N 3.28Å
363	V	62.7	Low	65.2	Low	80 Å²	80	65.2 Å²	65.2	49%	0.485	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140	168.5	179.2	0	0	0	0	108	V359	V359-V363 PolarHBondContact N-O 2.95Å; V359-V363 PolarHBondContact O-N 2.91Å
364	A	65	Low	65.6	Low	20 Å²	20	59.7 Å²	59.7	17%	0.165	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.2	169.5	0	0	0	0	0	108.7	K344 F348 K357	K344-A364 HydrophobicContact CB-CB 4.07Å; F348-A364 HydrophobicContact CB-CB 4.27Å; F348-A364 HydrophobicContact CD1-CB 3.97Å; F348-A364 HydrophobicContact CG-CB 4.26Å; K357-A364 WeakPolarHBondContact O-CA 3.49Å
365	E	69.9	Low	65.7	Low	109 Å²	109	66.6 Å²	66.6	51%	0.509	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.6	176.4	-178.4	171.8	-143.5	0	0	109.7	C356 K357 V359	C356-E365 CarbonylContact C-O 3.46Å; C356-E365 WeakPolarHBondContact CA-O 3.32Å; K357-E365 PolarHBondContact N-O 3.35Å; K357-E365 PolarHBondContact O-N 2.91Å; V359-E365 HydrophobicContact CG2-CB 3.52Å; V359-E365 WeakPolarHBondContact CG2-OE2 3.48Å
366	C	73.4	Confident	65.8	Low	9 Å²	9	64.7 Å²	64.7	6%	0.061	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.6	-180	-60.3	0	0	0	0	109.9	C350 C368 C377	C350-C366 HydrophobicContact CB-CB 3.64Å; C350-C366 WeakPolarHBondContact CB-SG 3.2Å; C350-C366 VanDerWaalsContact SG-CA 3.55Å; C350-C366 WeakPolarHBondContact SG-CB 3.48Å; C350-C366 CovalentContact SG-SG 2.03Å; C350-C366 PolarHBondContact SG-SG 2.7Å; C366-C368 PolarHBondContact O-N 3.04Å; C366-C377 PolarHBondContact O-SG 3.16Å
367	T	73.4	Confident	65.8	Low	53 Å²	53	63.2 Å²	63.2	33%	0.325	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111	169.2	41.6	0	0	0	0	110.2	S354 V355 K357	S354-T367 VanDerWaalsContact CB-O 3.29Å; S354-T367 WeakPolarHBondContact CB-O 3.37Å; V355-T367 PolarHBondContact N-O 3.08Å; V355-T367 PolarHBondContact O-N 3.39Å; V355-T367 PolarHBondContact O-OG1 2.86Å; K357-T367 HydrophobicContact CD-CG2 3.96Å
368	C	65.9	Low	66.1	Low	50 Å²	50	62.6 Å²	62.6	34%	0.338	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-79.3	138.4	-171.4	-53.5	0	0	0	0	112.8	C366 Y372 C377	C366-C368 PolarHBondContact O-N 3.04Å; C368-Y372 WeakPolarHBondContact CB-O 3.16Å; C368-C377 WeakPolarHBondContact CA-SG 3.35Å; C368-C377 HydrophobicContact CB-CB 3.7Å; C368-C377 WeakPolarHBondContact CB-SG 3.45Å; C368-C377 PolarHBondContact N-SG 3.2Å; C368-C377 WeakPolarHBondContact SG-CA 3.49Å; C368-C377 WeakPolarHBondContact SG-CB 3.38Å; C368-C377 CovalentContact SG-SG 2.03Å; C368-C377 PolarHBondContact SG-SG 3.26Å
369	P	64.9	Low	66.6	Low	44 Å²	44	64.5 Å²	64.5	29%	0.286	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-72.1	158.9	168.1	30.4	-31.5	0	0	0	110.4	N352 G371 Y372	N352-P369 WeakPolarHBondContact O-CG 3.43Å; P369-G371 PolarHBondContact O-N 2.79Å; P369-Y372 HydrophobicContact CG-CD2 3.97Å; P369-Y372 PolarHBondContact O-N 2.04Å; P369-Y372 VanDerWaalsContact O-N 3.12Å
370	H	56.7	Low	66.4	Low	94 Å²	94	68.2 Å²	68.2	44%	0.435	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	138.7	177.2	-84.1	-128.2	0	0	0	111.6	F384 Y388 E390 H428	H370-F384 HydrophobicContact CB-CE1 3.71Å; H370-F384 HydrophobicContact CB-CZ 3.98Å; H370-F384 AromaticContact ND1-CE1 3.77Å; H370-F384 AromaticContact ND1-CZ 3.89Å; H370-Y388 PolarHBondContact ND1-OH 2.85Å; H370-E390 IonicContact CE1-OE1 3.95Å; H370-E390 IonicContact CE1-OE2 2.7Å; H370-E390 PolarHBondContact CE1-OE2 3.29Å; H370-E390 IonicContact ND1-OE2 3.21Å; H370-H428 AromaticContact CE1-CE1 3.7Å; H370-H428 AromaticContact CE1-NE2 3.82Å; H370-H428 AromaticContact CG-CE1 3.58Å; H370-H428 AromaticContact ND1-CE1 3.03Å; H370-H428 PolarHBondContact ND1-CE1 2.83Å; H370-H428 AromaticContact ND1-ND1 3.68Å; H370-H428 AromaticContact ND1-NE2 3.52Å
371	G	60.9	Low	66.7	Low	14 Å²	14	66.4 Å²	66.4	14%	0.144	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-5.5	-172.8	0	0	0	0	0	115.2	P369 M380 D381	P369-G371 PolarHBondContact O-N 2.79Å; G371-M380 CarbonylContact O-C 3.59Å; G371-M380 WeakPolarHBondContact O-CA 3.49Å; G371-D381 PolarHBondContact O-N 3.32Å
372	Y	69.7	Low	66.6	Low	65 Å²	65	62.9 Å²	62.9	26%	0.255	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143	-178.9	-65.4	-88.1	0	0	0	114.2	N352 C368 P369 C377 T379 M380	N352-Y372 HydrophobicContact CB-CD1 3.74Å; N352-Y372 HydrophobicContact CB-CD2 4.31Å; N352-Y372 HydrophobicContact CB-CE1 3.59Å; N352-Y372 HydrophobicContact CB-CE2 4.17Å; N352-Y372 HydrophobicContact CB-CG 4.08Å; N352-Y372 WeakPolarHBondContact ND2-CD1 3.36Å; N352-Y372 VanDerWaalsContact ND2-CE1 3.31Å; N352-Y372 WeakPolarHBondContact ND2-CE1 3.36Å; C368-Y372 WeakPolarHBondContact CB-O 3.16Å; P369-Y372 HydrophobicContact CG-CD2 3.97Å; P369-Y372 PolarHBondContact O-N 2.04Å; P369-Y372 VanDerWaalsContact O-N 3.12Å; Y372-C377 WeakPolarHBondContact CD1-O 3.38Å; Y372-T379 CarbonylContact C-O 3.53Å; Y372-T379 VanDerWaalsContact CA-O 3.31Å; Y372-T379 WeakPolarHBondContact CA-O 3.34Å; Y372-M380 HydrophobicContact CD1-CG 4.16Å; Y372-M380 HydrophobicContact CE1-CE 4.22Å; Y372-M380 HydrophobicContact CE1-CG 3.75Å; Y372-M380 WeakPolarHBondContact OH-CE 3.48Å
373	T	70	Confident	66.5	Low	58 Å²	58	65.5 Å²	65.5	36%	0.356	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	178.9	-179.5	51.1	0	0	0	0	110.2	C377 E378 T379 D381	T373-C377 CarbonylContact O-C 3.59Å; T373-C377 VanDerWaalsContact O-C 3.25Å; T373-C377 WeakPolarHBondContact O-CA 3.48Å; T373-E378 PolarHBondContact O-N 2.86Å; T373-T379 PolarHBondContact N-O 3.11Å; T373-T379 WeakPolarHBondContact O-CA 3.34Å; T373-T379 WeakPolarHBondContact O-CB 3.25Å; T373-T379 PolarHBondContact O-N 2.85Å; T373-D381 HydrophobicContact CG2-CB 3.89Å
374	G	71.2	Confident	65.8	Low	37 Å²	37	64.2 Å²	64.2	38%	0.381	37%	0.366	S	S	.	.	S	Bend	trans	95.3	163.7	-171.1	0	0	0	0	0	111.9	N376 C377 E378	G374-N376 PolarHBondContact O-N 3.25Å; G374-C377 PolarHBondContact O-N 2.92Å; G374-C377 VanDerWaalsContact O-N 3.11Å; G374-E378 VanDerWaalsContact CA-OE1 3.24Å; G374-E378 WeakPolarHBondContact CA-OE1 3.5Å
375	Q	70.4	Confident	65.1	Low	160 Å²	160	66.9 Å²	66.9	75%	0.748	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-28	-169.1	-174.8	173.6	3.3	0	0	112.8	E378	Q375-E378 PolarHBondContact N-OE1 2.55Å; Q375-E378 PolarHBondContact N-OE2 2.91Å
376	N	71.1	Confident	64.3	Low	53 Å²	53	68.5 Å²	68.5	28%	0.283	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	20	178.1	-46.9	-37.8	0	0	0	110.7	F348 P351 G374 E378	F348-N376 WeakPolarHBondContact CE1-OD1 3.45Å; F348-N376 VanDerWaalsContact CZ-OD1 3.25Å; F348-N376 WeakPolarHBondContact CZ-OD1 3.23Å; P351-N376 WeakPolarHBondContact CD-O 3.32Å; P351-N376 WeakPolarHBondContact CG-O 3.35Å; G374-N376 PolarHBondContact O-N 3.25Å; N376-E378 VanDerWaalsContact C-OE2 3.24Å; N376-E378 VanDerWaalsContact CA-OE2 3.25Å; N376-E378 WeakPolarHBondContact CA-OE2 3.47Å; N376-E378 WeakPolarHBondContact CB-OE2 3.35Å; N376-E378 PolarHBondContact N-OE2 3.04Å; N376-E378 PolarHBondContact O-N 2.73Å
377	C	72.6	Confident	63.5	Low	0 Å²	0	70 Å²	70	0%	0	39%	0.393	C	S	.	.	S	Bend	trans	61.3	27.2	-175.8	-43.5	0	0	0	0	114.2	N352 S354 C366 C368 Y372 T373 G374	N352-C377 PolarHBondContact ND2-O 2.74Å; S354-C377 WeakPolarHBondContact CB-SG 3.44Å; C366-C377 PolarHBondContact O-SG 3.16Å; C368-C377 WeakPolarHBondContact CA-SG 3.35Å; C368-C377 HydrophobicContact CB-CB 3.7Å; C368-C377 WeakPolarHBondContact CB-SG 3.45Å; C368-C377 PolarHBondContact N-SG 3.2Å; C368-C377 WeakPolarHBondContact SG-CA 3.49Å; C368-C377 WeakPolarHBondContact SG-CB 3.38Å; C368-C377 CovalentContact SG-SG 2.03Å; C368-C377 PolarHBondContact SG-SG 3.26Å; Y372-C377 WeakPolarHBondContact CD1-O 3.38Å; T373-C377 CarbonylContact O-C 3.59Å; T373-C377 VanDerWaalsContact O-C 3.25Å; T373-C377 WeakPolarHBondContact O-CA 3.48Å; G374-C377 PolarHBondContact O-N 2.92Å; G374-C377 VanDerWaalsContact O-N 3.11Å
378	E	77.4	Confident	62.9	Low	99 Å²	99	68.4 Å²	68.4	46%	0.463	38%	0.381	S	S	.	.			trans	-76.2	-18.5	-175	69.6	-75.9	173.1	0	0	115	T373 G374 Q375 N376	T373-E378 PolarHBondContact O-N 2.86Å; G374-E378 VanDerWaalsContact CA-OE1 3.24Å; G374-E378 WeakPolarHBondContact CA-OE1 3.5Å; Q375-E378 PolarHBondContact N-OE1 2.55Å; Q375-E378 PolarHBondContact N-OE2 2.91Å; N376-E378 VanDerWaalsContact C-OE2 3.24Å; N376-E378 VanDerWaalsContact CA-OE2 3.25Å; N376-E378 WeakPolarHBondContact CA-OE2 3.47Å; N376-E378 WeakPolarHBondContact CB-OE2 3.35Å; N376-E378 PolarHBondContact N-OE2 3.04Å; N376-E378 PolarHBondContact O-N 2.73Å
379	T	75.3	Confident	62.5	Low	69 Å²	69	66.5 Å²	66.5	42%	0.423	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.7	-174	-57.2	0	0	0	0	110.3	Y372 T373	Y372-T379 CarbonylContact C-O 3.53Å; Y372-T379 VanDerWaalsContact CA-O 3.31Å; Y372-T379 WeakPolarHBondContact CA-O 3.34Å; T373-T379 PolarHBondContact N-O 3.11Å; T373-T379 WeakPolarHBondContact O-CA 3.34Å; T373-T379 WeakPolarHBondContact O-CB 3.25Å; T373-T379 PolarHBondContact O-N 2.85Å
380	M	59.3	Low	62.4	Low	129 Å²	129	64.8 Å²	64.8	64%	0.635	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.5	166.1	-90.5	-178.5	164.2	0	0	110.1	G371 Y372	G371-M380 CarbonylContact O-C 3.59Å; G371-M380 WeakPolarHBondContact O-CA 3.49Å; Y372-M380 HydrophobicContact CD1-CG 4.16Å; Y372-M380 HydrophobicContact CE1-CE 4.22Å; Y372-M380 HydrophobicContact CE1-CG 3.75Å; Y372-M380 WeakPolarHBondContact OH-CE 3.48Å
381	D	61.1	Low	62.4	Low	56 Å²	56	60.3 Å²	60.3	30%	0.299	34%	0.335	S	S	.	.			trans	-78.3	121.3	173.9	-178.8	10.6	0	0	0	111	G371 T373 S383 F384	G371-D381 PolarHBondContact O-N 3.32Å; T373-D381 HydrophobicContact CG2-CB 3.89Å; D381-S383 PolarHBondContact O-N 3.26Å; D381-S383 WeakPolarHBondContact OD1-CB 3Å; D381-S383 PolarHBondContact OD1-N 2.89Å; D381-S383 PolarHBondContact OD1-OG 3.39Å; D381-S383 WeakPolarHBondContact OD2-CB 3.37Å; D381-S383 PolarHBondContact OD2-OG 3.11Å; D381-F384 HydrophobicContact CB-CD2 3.86Å; D381-F384 HydrophobicContact CB-CE2 4.12Å; D381-F384 WeakPolarHBondContact OD2-CE2 3.34Å
382	A	54.6	Low	62.1	Low	96 Å²	96	60.6 Å²	60.6	79%	0.793	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-71.7	-5	178.1	0	0	0	0	0	113.9	F384	A382-F384 PolarHBondContact O-N 3.03Å
383	S	52.1	Low	61.1	Low	81 Å²	81	57.5 Å²	57.5	57%	0.566	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-70.1	-13.9	173.8	81.9	0	0	0	0	114.2	D381 D385	D381-S383 PolarHBondContact O-N 3.26Å; D381-S383 WeakPolarHBondContact OD1-CB 3Å; D381-S383 PolarHBondContact OD1-N 2.89Å; D381-S383 PolarHBondContact OD1-OG 3.39Å; D381-S383 WeakPolarHBondContact OD2-CB 3.37Å; D381-S383 PolarHBondContact OD2-OG 3.11Å; S383-D385 PolarHBondContact O-N 3.41Å
384	F	47.9	Very low	60	Low	52 Å²	52	55.5 Å²	55.5	23%	0.228	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-89.8	13.7	-169.5	-81.8	-99.2	0	0	0	116.2	H370 D381 A382 Y388	H370-F384 HydrophobicContact CB-CE1 3.71Å; H370-F384 HydrophobicContact CB-CZ 3.98Å; H370-F384 AromaticContact ND1-CE1 3.77Å; H370-F384 AromaticContact ND1-CZ 3.89Å; D381-F384 HydrophobicContact CB-CD2 3.86Å; D381-F384 HydrophobicContact CB-CE2 4.12Å; D381-F384 WeakPolarHBondContact OD2-CE2 3.34Å; A382-F384 PolarHBondContact O-N 3.03Å; F384-Y388 HydrophobicContact CD1-CE1 4.24Å; F384-Y388 HydrophobicContact CE1-CE1 4.22Å; F384-Y388 WeakPolarHBondContact CE1-OH 3.46Å
385	D	49	Very low	58.7	Low	77 Å²	77	56.7 Å²	56.7	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	-90.9	8.3	-176.6	-148.4	20.9	0	0	0	114.8	S383 N432	S383-D385 PolarHBondContact O-N 3.41Å; D385-N432 VanDerWaalsContact CG-ND2 3.29Å; D385-N432 PolarHBondContact OD1-N 3.26Å; D385-N432 PolarHBondContact OD1-ND2 3.3Å; D385-N432 PolarHBondContact OD2-ND2 2.96Å
386	E	52.8	Low	57.2	Low	142 Å²	142	52.6 Å²	52.6	66%	0.664	31%	0.307	S	S	*	.	S	Bend	trans	-117.2	146.4	169.9	-68.8	-159.1	179.7	0	0	112.7
387	D	57.4	Low	55.6	Low	41 Å²	41	53.5 Å²	53.5	22%	0.219	32%	0.318	C	S	.	.			trans	-69.9	126.8	176.6	-64.1	-28.7	0	0	0	111.5	S408 H428 S429 G430	D387-S408 WeakPolarHBondContact O-CB 3.06Å; D387-H428 WeakPolarHBondContact CA-O 3.41Å; D387-S429 WeakPolarHBondContact OD1-CA 3.43Å; D387-S429 VanDerWaalsContact OD1-CB 3.31Å; D387-S429 WeakPolarHBondContact OD1-CB 3.15Å; D387-S429 PolarHBondContact OD1-OG 2.91Å; D387-G430 PolarHBondContact OD1-N 2.64Å
388	Y	61.8	Low	53.8	Low	20 Å²	20	62.5 Å²	62.5	8%	0.078	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.6	172.8	70.8	-93.8	0	0	0	114	H370 F384 E390 K406 Y407 H428	H370-Y388 PolarHBondContact ND1-OH 2.85Å; F384-Y388 HydrophobicContact CD1-CE1 4.24Å; F384-Y388 HydrophobicContact CE1-CE1 4.22Å; F384-Y388 WeakPolarHBondContact CE1-OH 3.46Å; Y388-E390 HydrophobicContact CD2-CB 4.26Å; Y388-E390 HydrophobicContact CE2-CB 4.16Å; Y388-K406 HydrophobicContact CD2-CD 3.89Å; Y388-K406 VanDerWaalsContact CD2-CE 3.42Å; Y388-K406 HydrophobicContact CD2-CG 3.83Å; Y388-K406 HydrophobicContact CE2-CD 3.91Å; Y388-K406 HydrophobicContact CE2-CG 4.35Å; Y388-K406 VanDerWaalsContact CE2-NZ 3.34Å; Y388-K406 HydrophobicContact CG-CG 4.45Å; Y388-K406 PolarHBondContact OH-NZ 3.32Å; Y388-Y407 CarbonylContact C-O 3.57Å; Y388-Y407 WeakPolarHBondContact CA-O 3.4Å; Y388-H428 HydrophobicContact CD1-CB 3.92Å; Y388-H428 HydrophobicContact CD2-CB 4.18Å; Y388-H428 AromaticContact CD2-CD2 3.7Å; Y388-H428 HydrophobicContact CE1-CB 3.63Å; Y388-H428 HydrophobicContact CE2-CB 3.93Å; Y388-H428 AromaticContact CE2-CD2 3.09Å; Y388-H428 WeakPolarHBondContact CE2-CD2 3.37Å; Y388-H428 AromaticContact CE2-CG 3.62Å; Y388-H428 AromaticContact CE2-NE2 3.79Å; Y388-H428 HydrophobicContact CG-CB 4.2Å; Y388-H428 AromaticContact CZ-CD2 3.48Å; Y388-H428 VanDerWaalsContact CZ-CD2 3.48Å; Y388-H428 AromaticContact CZ-CG 3.51Å; Y388-H428 PolarHBondContact N-O 3.01Å; Y388-H428 PolarHBondContact O-N 3.2Å; Y388-H428 VanDerWaalsContact O-O 3.06Å
389	L	56	Low	51.9	Low	9 Å²	9	64.3 Å²	64.3	5%	0.047	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140	168.8	-167.3	89.6	0	0	0	109.2	I391 K406 Y407 M412 I425 L426 L427 F439 F441	L389-I391 HydrophobicContact CD2-CD1 4.26Å; L389-I391 HydrophobicContact CD2-CG1 4.29Å; L389-K406 CarbonylContact O-C 3.51Å; L389-K406 VanDerWaalsContact O-CA 3.29Å; L389-K406 WeakPolarHBondContact O-CA 3.41Å; L389-Y407 HydrophobicContact CD2-CD2 4.15Å; L389-Y407 PolarHBondContact N-O 3.1Å; L389-Y407 PolarHBondContact O-N 2.76Å; L389-M412 HydrophobicContact CD2-CE 3.59Å; L389-M412 HydrophobicContact CD2-SD 4.11Å; L389-I425 HydrophobicContact CD1-CG2 3.71Å; L389-I425 HydrophobicContact CD2-CG2 4.16Å; L389-I425 HydrophobicContact CG-CG2 3.98Å; L389-L426 WeakPolarHBondContact CA-O 3.43Å; L389-L427 HydrophobicContact CD1-CB 4.37Å; L389-L427 HydrophobicContact CD1-CD1 4.11Å; L389-F439 HydrophobicContact CD1-CD1 4.29Å; L389-F439 HydrophobicContact CD1-CE1 3.98Å; L389-F439 HydrophobicContact CD1-CE2 4.39Å; L389-F439 HydrophobicContact CD1-CZ 4.02Å; L389-F441 HydrophobicContact CD1-CE2 4.36Å; L389-F441 HydrophobicContact CD1-CZ 4.12Å; L389-F441 HydrophobicContact CD2-CE1 4.18Å; L389-F441 HydrophobicContact CD2-CE2 4.05Å; L389-F441 HydrophobicContact CD2-CZ 3.41Å; L389-F441 VanDerWaalsContact CD2-CZ 3.41Å; L389-F441 HydrophobicContact CG-CZ 4.42Å
390	E	62.4	Low	49.7	Very low	9 Å²	9	66.5 Å²	66.5	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.8	179.2	173.1	179.9	-136.3	0	0	109.1	H370 Y388 L392 S405 I425 L426 H428	H370-E390 IonicContact CE1-OE1 3.95Å; H370-E390 IonicContact CE1-OE2 2.7Å; H370-E390 PolarHBondContact CE1-OE2 3.29Å; H370-E390 IonicContact ND1-OE2 3.21Å; Y388-E390 HydrophobicContact CD2-CB 4.26Å; Y388-E390 HydrophobicContact CE2-CB 4.16Å; E390-L392 HydrophobicContact CG-CD2 3.71Å; E390-L392 HydrophobicContact CG-CG 4.23Å; E390-S405 WeakPolarHBondContact CA-O 3.41Å; E390-I425 CarbonylContact O-C 3.55Å; E390-I425 WeakPolarHBondContact O-CA 3.46Å; E390-L426 HydrophobicContact CB-CB 4.27Å; E390-L426 PolarHBondContact N-O 3.17Å; E390-L426 PolarHBondContact O-N 2.63Å; E390-H428 IonicContact OE2-CD2 2.68Å; E390-H428 IonicContact OE2-CE1 2.72Å; E390-H428 IonicContact OE2-NE2 2.94Å; E390-H428 PolarHBondContact OE2-NE2 2.74Å
391	I	56.9	Low	48.9	Very low	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.5	-178.2	-53.1	-167.2	0	0	0	108.3	L389 L404 S405 Y407 M412 F416 L418 V423 I425	L389-I391 HydrophobicContact CD2-CD1 4.26Å; L389-I391 HydrophobicContact CD2-CG1 4.29Å; I391-L404 WeakPolarHBondContact O-CB 3.43Å; I391-L404 PolarHBondContact O-N 3.01Å; I391-S405 PolarHBondContact N-O 3.38Å; I391-S405 PolarHBondContact O-N 2.04Å; I391-Y407 HydrophobicContact CD1-CE2 3.8Å; I391-Y407 HydrophobicContact CG1-CE2 4.2Å; I391-M412 HydrophobicContact CD1-CE 4.24Å; I391-F416 HydrophobicContact CD1-CD1 4.39Å; I391-F416 HydrophobicContact CD1-CE1 3.64Å; I391-F416 HydrophobicContact CD1-CE2 3.84Å; I391-F416 HydrophobicContact CD1-CZ 3.32Å; I391-F416 HydrophobicContact CG2-CE2 4.32Å; I391-L418 HydrophobicContact CG2-CD2 4.31Å; I391-V423 HydrophobicContact CG2-CG2 3.52Å; I391-I425 HydrophobicContact CG1-CG1 4.31Å; I391-I425 HydrophobicContact CG1-CG2 4.42Å; I391-I425 HydrophobicContact CG2-CG1 4.31Å
392	L	54.3	Low	48	Very low	19 Å²	19	66.2 Å²	66.2	10%	0.099	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.6	-176.3	-50.5	-179.9	0	0	0	111.2	E390 L401 F402 E403 V423 S424 L426	E390-L392 HydrophobicContact CG-CD2 3.71Å; E390-L392 HydrophobicContact CG-CG 4.23Å; L392-L401 HydrophobicContact CB-CB 4.47Å; L392-L401 HydrophobicContact CB-CD2 4.1Å; L392-L401 HydrophobicContact CD1-CB 4.34Å; L392-L401 HydrophobicContact CD1-CD1 4.15Å; L392-L401 HydrophobicContact CD1-CD2 4.5Å; L392-F402 CarbonylContact C-O 3.43Å; L392-F402 VanDerWaalsContact CA-O 3.25Å; L392-F402 WeakPolarHBondContact CA-O 3.24Å; L392-E403 HydrophobicContact CD2-CB 4.1Å; L392-E403 HydrophobicContact CD2-CG 4.31Å; L392-V423 WeakPolarHBondContact O-CA 3.27Å; L392-V423 VanDerWaalsContact O-CG2 3.22Å; L392-V423 WeakPolarHBondContact O-CG2 3.45Å; L392-S424 PolarHBondContact N-O 2.99Å; L392-S424 PolarHBondContact O-N 3.1Å; L392-L426 HydrophobicContact CD1-CD1 3.72Å; L392-L426 HydrophobicContact CD1-CD2 4.48Å; L392-L426 HydrophobicContact CG-CD1 4.06Å
393	G	49.5	Very low	47.7	Very low	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	151	167.4	0	0	0	0	0	111.4	L401 F402 D420	G393-L401 VanDerWaalsContact O-CA 3.31Å; G393-L401 WeakPolarHBondContact O-CA 3.17Å; G393-L401 WeakPolarHBondContact O-CD2 3.27Å; G393-F402 PolarHBondContact N-O 2.88Å; G393-F402 PolarHBondContact O-N 2.85Å; G393-D420 VanDerWaalsContact C-OD2 3.27Å; G393-D420 WeakPolarHBondContact CA-OD2 3.09Å
394	S	47.7	Very low	47.6	Very low	17 Å²	17	65.3 Å²	65.3	12%	0.119	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	101.1	175.9	175.3	0	0	0	0	109.5	D420 K422	S394-D420 VanDerWaalsContact C-OD1 3.24Å; S394-D420 VanDerWaalsContact N-CG 3.3Å; S394-D420 PolarHBondContact N-OD2 2.53Å; S394-D420 WeakPolarHBondContact O-CB 3.45Å; S394-K422 PolarHBondContact N-O 2.8Å
395	N	43.3	Very low	47.8	Very low	62 Å²	62	63.7 Å²	63.7	33%	0.332	34%	0.344	S	S	.	.			trans	-52.2	162.3	163	-66.6	32.4	0	0	0	109.7	S397 F402 D420	N395-S397 PolarHBondContact O-N 3.49Å; N395-S397 VanDerWaalsContact O-N 3.08Å; N395-F402 HydrophobicContact CB-CE2 4.37Å; N395-F402 WeakPolarHBondContact OD1-CE2 3.45Å; N395-D420 WeakPolarHBondContact CA-OD1 3.38Å; N395-D420 PolarHBondContact N-OD1 2.93Å; N395-D420 PolarHBondContact OD1-OD1 3.14Å
396	G	39.2	Very low	48.2	Very low	73 Å²	73	65 Å²	65	75%	0.753	35%	0.345	S	S	*	.	S	Bend	trans	-58.7	-24.5	-177	0	0	0	0	0	114.7
397	S	36	Very low	48.2	Very low	72 Å²	72	59.4 Å²	59.4	50%	0.503	32%	0.319	S	S	.	.	S	Bend	trans	-77.2	123.7	174.6	46.7	0	0	0	0	111.7	N395 L399	N395-S397 PolarHBondContact O-N 3.49Å; N395-S397 VanDerWaalsContact O-N 3.08Å; S397-L399 PolarHBondContact O-N 3.42Å
398	Q	36.1	Very low	48.2	Very low	190 Å²	190	60.7 Å²	60.7	89%	0.888	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	20.4	-165.8	-159.5	171.5	-11.6	0	0	115.3
399	L	36.5	Very low	47.9	Very low	136 Å²	136	63 Å²	63	71%	0.712	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	-7.5	-165.5	-85.5	163.4	0	0	0	115.8	S397	S397-L399 PolarHBondContact O-N 3.42Å
400	M	30.9	Very low	47.7	Very low	115 Å²	115	70 Å²	70	57%	0.567	40%	0.398	S	S	*	.			trans	-127.5	123.3	168.6	-71	-158.4	-78	0	0	111.9	F402	M400-F402 HydrophobicContact CB-CE1 4.06Å; M400-F402 HydrophobicContact CB-CE2 3.86Å; M400-F402 HydrophobicContact CB-CZ 3.52Å; M400-F402 HydrophobicContact CE-CE1 4.3Å; M400-F402 HydrophobicContact CE-CZ 3.9Å; M400-F402 HydrophobicContact CG-CZ 4.34Å; M400-F402 HydrophobicContact SD-CE1 3.97Å; M400-F402 HydrophobicContact SD-CZ 4Å
401	L	40.6	Very low	46.9	Very low	101 Å²	101	75.1 Å²	75.1	53%	0.529	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.2	163.6	-74.5	164.1	0	0	0	107.4	L392 G393	L392-L401 HydrophobicContact CB-CB 4.47Å; L392-L401 HydrophobicContact CB-CD2 4.1Å; L392-L401 HydrophobicContact CD1-CB 4.34Å; L392-L401 HydrophobicContact CD1-CD1 4.15Å; L392-L401 HydrophobicContact CD1-CD2 4.5Å; G393-L401 VanDerWaalsContact O-CA 3.31Å; G393-L401 WeakPolarHBondContact O-CA 3.17Å; G393-L401 WeakPolarHBondContact O-CD2 3.27Å
402	F	43.2	Very low	46.4	Very low	78 Å²	78	78.5 Å²	78.5	34%	0.342	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.6	179.4	-51.4	-85.4	0	0	0	109.6	L392 G393 N395 M400 L404	L392-F402 CarbonylContact C-O 3.43Å; L392-F402 VanDerWaalsContact CA-O 3.25Å; L392-F402 WeakPolarHBondContact CA-O 3.24Å; G393-F402 PolarHBondContact N-O 2.88Å; G393-F402 PolarHBondContact O-N 2.85Å; N395-F402 HydrophobicContact CB-CE2 4.37Å; N395-F402 WeakPolarHBondContact OD1-CE2 3.45Å; M400-F402 HydrophobicContact CB-CE1 4.06Å; M400-F402 HydrophobicContact CB-CE2 3.86Å; M400-F402 HydrophobicContact CB-CZ 3.52Å; M400-F402 HydrophobicContact CE-CE1 4.3Å; M400-F402 HydrophobicContact CE-CZ 3.9Å; M400-F402 HydrophobicContact CG-CZ 4.34Å; M400-F402 HydrophobicContact SD-CE1 3.97Å; M400-F402 HydrophobicContact SD-CZ 4Å; F402-L404 PolarHBondContact O-N 2.86Å; F402-L404 VanDerWaalsContact O-N 3.1Å
403	E	47.1	Very low	46.2	Very low	82 Å²	82	80 Å²	80	38%	0.383	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	105.1	174.1	-169.4	-178.8	-179.8	0	0	109.1	L392 K406	L392-E403 HydrophobicContact CD2-CB 4.1Å; L392-E403 HydrophobicContact CD2-CG 4.31Å; E403-K406 WeakPolarHBondContact OE1-CB 3.32Å; E403-K406 WeakPolarHBondContact OE1-CD 3.42Å
404	L	51.2	Low	45.8	Very low	77 Å²	77	87 Å²	87	40%	0.403	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-37.1	-179	-64.2	176.7	0	0	0	111.5	I391 F402 L418	I391-L404 WeakPolarHBondContact O-CB 3.43Å; I391-L404 PolarHBondContact O-N 3.01Å; F402-L404 PolarHBondContact O-N 2.86Å; F402-L404 VanDerWaalsContact O-N 3.1Å; L404-L418 HydrophobicContact CD1-CD2 3.5Å; L404-L418 VanDerWaalsContact CD1-CD2 3.5Å
405	S	52.9	Low	45.6	Very low	18 Å²	18	90.1 Å²	90.1	13%	0.126	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	153.1	176.1	52.9	0	0	0	0	113.2	E390 I391 Y407	E390-S405 WeakPolarHBondContact CA-O 3.41Å; I391-S405 PolarHBondContact N-O 3.38Å; I391-S405 PolarHBondContact O-N 2.04Å; S405-Y407 WeakPolarHBondContact CB-OH 3.29Å; S405-Y407 WeakPolarHBondContact OG-CE2 3.49Å; S405-Y407 PolarHBondContact OG-OH 3.37Å
406	K	55.6	Low	45.6	Very low	103 Å²	103	90.3 Å²	90.3	45%	0.448	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	122.4	178.6	179.3	160.8	173	161.8	0	110.2	Y388 L389 E403	Y388-K406 HydrophobicContact CD2-CD 3.89Å; Y388-K406 VanDerWaalsContact CD2-CE 3.42Å; Y388-K406 HydrophobicContact CD2-CG 3.83Å; Y388-K406 HydrophobicContact CE2-CD 3.91Å; Y388-K406 HydrophobicContact CE2-CG 4.35Å; Y388-K406 VanDerWaalsContact CE2-NZ 3.34Å; Y388-K406 HydrophobicContact CG-CG 4.45Å; Y388-K406 PolarHBondContact OH-NZ 3.32Å; L389-K406 CarbonylContact O-C 3.51Å; L389-K406 VanDerWaalsContact O-CA 3.29Å; L389-K406 WeakPolarHBondContact O-CA 3.41Å; E403-K406 WeakPolarHBondContact OE1-CB 3.32Å; E403-K406 WeakPolarHBondContact OE1-CD 3.42Å
407	Y	54.6	Low	45.9	Very low	26 Å²	26	92.4 Å²	92.4	10%	0.102	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.7	-172.5	-48.7	-90.4	0	0	0	110.8	Y388 L389 I391 S405 M412 E413	Y388-Y407 CarbonylContact C-O 3.57Å; Y388-Y407 WeakPolarHBondContact CA-O 3.4Å; L389-Y407 HydrophobicContact CD2-CD2 4.15Å; L389-Y407 PolarHBondContact N-O 3.1Å; L389-Y407 PolarHBondContact O-N 2.76Å; I391-Y407 HydrophobicContact CD1-CE2 3.8Å; I391-Y407 HydrophobicContact CG1-CE2 4.2Å; S405-Y407 WeakPolarHBondContact CB-OH 3.29Å; S405-Y407 WeakPolarHBondContact OG-CE2 3.49Å; S405-Y407 PolarHBondContact OG-OH 3.37Å; Y407-M412 HydrophobicContact CD1-CB 4.3Å; Y407-M412 HydrophobicContact CD1-CG 3.78Å; Y407-M412 HydrophobicContact CD2-CE 3.8Å; Y407-M412 HydrophobicContact CD2-CG 4.31Å; Y407-M412 HydrophobicContact CD2-SD 4.33Å; Y407-M412 HydrophobicContact CE1-CG 3.95Å; Y407-M412 HydrophobicContact CE2-CE 3.62Å; Y407-M412 HydrophobicContact CE2-CG 4.43Å; Y407-M412 HydrophobicContact CG-CE 4.38Å; Y407-M412 HydrophobicContact CG-CG 3.97Å; Y407-M412 HydrophobicContact CG-SD 4.38Å; Y407-E413 HydrophobicContact CE1-CB 4.34Å; Y407-E413 HydrophobicContact CE1-CG 4.14Å; Y407-E413 PolarHBondContact OH-OE2 3.38Å
408	S	56.8	Low	46.2	Very low	67 Å²	67	92.1 Å²	92.1	47%	0.469	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	163.9	168	66.2	0	0	0	0	111.1	D387	D387-S408 WeakPolarHBondContact O-CB 3.06Å
409	G	56.2	Low	46.5	Very low	69 Å²	69	91.6 Å²	91.6	71%	0.711	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-142.7	179.1	0	0	0	0	0	114.6
410	N	50.4	Low	47	Very low	155 Å²	155	86.6 Å²	86.6	83%	0.829	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	6.3	-165.5	-64.1	-53.7	0	0	0	114.6
411	T	46.8	Very low	47.9	Very low	118 Å²	118	86.6 Å²	86.6	72%	0.724	48%	0.478	S	S	*	.			trans	-127.8	120.2	-172	44.1	0	0	0	0	110.3
412	M	46.3	Very low	48.2	Very low	71 Å²	71	87.7 Å²	87.7	35%	0.35	48%	0.478	S	S	.	.			trans	-136.9	152.3	176.8	-174.2	169.2	-179.4	0	0	108.8	L389 I391 Y407 F416 F441	L389-M412 HydrophobicContact CD2-CE 3.59Å; L389-M412 HydrophobicContact CD2-SD 4.11Å; I391-M412 HydrophobicContact CD1-CE 4.24Å; Y407-M412 HydrophobicContact CD1-CB 4.3Å; Y407-M412 HydrophobicContact CD1-CG 3.78Å; Y407-M412 HydrophobicContact CD2-CE 3.8Å; Y407-M412 HydrophobicContact CD2-CG 4.31Å; Y407-M412 HydrophobicContact CD2-SD 4.33Å; Y407-M412 HydrophobicContact CE1-CG 3.95Å; Y407-M412 HydrophobicContact CE2-CE 3.62Å; Y407-M412 HydrophobicContact CE2-CG 4.43Å; Y407-M412 HydrophobicContact CG-CE 4.38Å; Y407-M412 HydrophobicContact CG-CG 3.97Å; Y407-M412 HydrophobicContact CG-SD 4.38Å; M412-F416 HydrophobicContact CE-CE1 3.99Å; M412-F441 HydrophobicContact CE-CD1 4.01Å; M412-F441 HydrophobicContact CE-CE1 3.39Å; M412-F441 HydrophobicContact CE-CZ 3.94Å; M412-F441 HydrophobicContact SD-CD1 4.42Å; M412-F441 HydrophobicContact SD-CE1 3.53Å; M412-F441 VanDerWaalsContact SD-CE1 3.53Å; M412-F441 HydrophobicContact SD-CZ 4.2Å
413	E	49	Very low	48.7	Very low	51 Å²	51	86.6 Å²	86.6	24%	0.238	48%	0.477	C	S	.	.			trans	-61.5	150.1	177.5	-74.5	153	-171.3	0	0	112.2	Y407 S415 Y534	Y407-E413 HydrophobicContact CE1-CB 4.34Å; Y407-E413 HydrophobicContact CE1-CG 4.14Å; Y407-E413 PolarHBondContact OH-OE2 3.38Å; E413-S415 VanDerWaalsContact C-N 3.29Å; E413-S415 PolarHBondContact O-N 3.41Å; E413-Y534 HydrophobicContact CG-CE2 4.06Å; E413-Y534 WeakPolarHBondContact OE1-CE1 3.14Å
414	T	41	Very low	49.1	Very low	147 Å²	147	85 Å²	85	90%	0.902	48%	0.475	S	S	*	.	S	Bend	trans	-74.5	-21.1	178.8	49.7	0	0	0	0	113.3
415	S	43.2	Very low	49.3	Very low	82 Å²	82	84.9 Å²	84.9	57%	0.573	47%	0.474	S	S	*	.			trans	-172.6	134.9	-175.2	49	0	0	0	0	109.9	E413	E413-S415 VanDerWaalsContact C-N 3.29Å; E413-S415 PolarHBondContact O-N 3.41Å
416	F	44.2	Very low	49.3	Very low	65 Å²	65	86.6 Å²	86.6	29%	0.285	48%	0.482	S	S	.	.			trans	-129.7	155.1	168.6	53.7	-92.7	0	0	0	108.8	I391 M412 L418	I391-F416 HydrophobicContact CD1-CD1 4.39Å; I391-F416 HydrophobicContact CD1-CE1 3.64Å; I391-F416 HydrophobicContact CD1-CE2 3.84Å; I391-F416 HydrophobicContact CD1-CZ 3.32Å; I391-F416 HydrophobicContact CG2-CE2 4.32Å; M412-F416 HydrophobicContact CE-CE1 3.99Å; F416-L418 HydrophobicContact CD2-CD2 3.91Å; F416-L418 HydrophobicContact CD2-CG 4.14Å; F416-L418 HydrophobicContact CE2-CD1 4.16Å; F416-L418 HydrophobicContact CE2-CD2 3.98Å; F416-L418 HydrophobicContact CE2-CG 4.17Å
417	F	44.9	Very low	49.5	Very low	117 Å²	117	86.6 Å²	86.6	51%	0.513	49%	0.486	S	S	.	.			trans	-106.3	157	175.9	-72.6	-88.1	0	0	0	110.6	V460	F417-V460 HydrophobicContact CD2-CG1 4.24Å; F417-V460 HydrophobicContact CE1-CG1 4.15Å; F417-V460 HydrophobicContact CE2-CG1 3.81Å; F417-V460 HydrophobicContact CZ-CG1 3.76Å
418	L	43.5	Very low	49.7	Very low	66 Å²	66	86.9 Å²	86.9	35%	0.346	49%	0.488	S	S	.	.			trans	-131	123.2	-175.8	-58.8	167.6	0	0	0	107.1	I391 L404 F416 V423	I391-L418 HydrophobicContact CG2-CD2 4.31Å; L404-L418 HydrophobicContact CD1-CD2 3.5Å; L404-L418 VanDerWaalsContact CD1-CD2 3.5Å; F416-L418 HydrophobicContact CD2-CD2 3.91Å; F416-L418 HydrophobicContact CD2-CG 4.14Å; F416-L418 HydrophobicContact CE2-CD1 4.16Å; F416-L418 HydrophobicContact CE2-CD2 3.98Å; F416-L418 HydrophobicContact CE2-CG 4.17Å; L418-V423 HydrophobicContact CD1-CB 3.78Å; L418-V423 HydrophobicContact CD1-CG1 3.78Å; L418-V423 HydrophobicContact CD1-CG2 3.87Å; L418-V423 HydrophobicContact CD2-CB 4.38Å; L418-V423 HydrophobicContact CD2-CG2 3.68Å; L418-V423 HydrophobicContact CG-CG2 4.39Å
419	K	42	Very low	49.7	Very low	179 Å²	179	87.7 Å²	87.7	78%	0.778	49%	0.494	S	S	*	.	S	Bend	trans	-70.6	-24.5	172.1	-77.1	-166.5	172.2	-169.3	0	111.7
420	D	47.4	Very low	49.7	Very low	31 Å²	31	84.8 Å²	84.8	17%	0.166	46%	0.464	C	S	.	.	S	Bend	trans	-89.6	141.1	-168.8	-61.3	-51.3	0	0	0	114.8	G393 S394 N395 K422	G393-D420 VanDerWaalsContact C-OD2 3.27Å; G393-D420 WeakPolarHBondContact CA-OD2 3.09Å; S394-D420 VanDerWaalsContact C-OD1 3.24Å; S394-D420 VanDerWaalsContact N-CG 3.3Å; S394-D420 PolarHBondContact N-OD2 2.53Å; S394-D420 WeakPolarHBondContact O-CB 3.45Å; N395-D420 WeakPolarHBondContact CA-OD1 3.38Å; N395-D420 PolarHBondContact N-OD1 2.93Å; N395-D420 PolarHBondContact OD1-OD1 3.14Å; D420-K422 WeakPolarHBondContact CB-O 3.36Å; D420-K422 PolarHBondContact O-N 3.02Å
421	S	49.3	Very low	49.8	Very low	116 Å²	116	88 Å²	88	81%	0.811	47%	0.466	S	S	*	.	S	Bend	trans	-64.8	-12.3	168.2	64.4	0	0	0	0	113.8
422	K	46.7	Very low	50.1	Low	123 Å²	123	88.1 Å²	88.1	54%	0.535	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128	176.5	-67.5	173.2	-173.6	164.6	0	109.5	S394 D420	S394-K422 PolarHBondContact N-O 2.8Å; D420-K422 WeakPolarHBondContact CB-O 3.36Å; D420-K422 PolarHBondContact O-N 3.02Å
423	V	53.7	Low	50.1	Low	55 Å²	55	86.6 Å²	86.6	33%	0.333	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.9	167.1	76.7	0	0	0	0	109.2	I391 L392 L418 I425	I391-V423 HydrophobicContact CG2-CG2 3.52Å; L392-V423 WeakPolarHBondContact O-CA 3.27Å; L392-V423 VanDerWaalsContact O-CG2 3.22Å; L392-V423 WeakPolarHBondContact O-CG2 3.45Å; L418-V423 HydrophobicContact CD1-CB 3.78Å; L418-V423 HydrophobicContact CD1-CG1 3.78Å; L418-V423 HydrophobicContact CD1-CG2 3.87Å; L418-V423 HydrophobicContact CD2-CB 4.38Å; L418-V423 HydrophobicContact CD2-CG2 3.68Å; L418-V423 HydrophobicContact CG-CG2 4.39Å; V423-I425 HydrophobicContact CG1-CG1 4.43Å
424	S	55.3	Low	50	Low	48 Å²	48	92.4 Å²	92.4	34%	0.336	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124	169	-56.1	0	0	0	0	108.7	L392	L392-S424 PolarHBondContact N-O 2.99Å; L392-S424 PolarHBondContact O-N 3.1Å
425	I	55.6	Low	50.1	Low	75 Å²	75	88.6 Å²	88.6	39%	0.385	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.1	172.8	-58.6	176.9	0	0	0	107.4	L389 E390 I391 V423 F441	L389-I425 HydrophobicContact CD1-CG2 3.71Å; L389-I425 HydrophobicContact CD2-CG2 4.16Å; L389-I425 HydrophobicContact CG-CG2 3.98Å; E390-I425 CarbonylContact O-C 3.55Å; E390-I425 WeakPolarHBondContact O-CA 3.46Å; I391-I425 HydrophobicContact CG1-CG1 4.31Å; I391-I425 HydrophobicContact CG1-CG2 4.42Å; I391-I425 HydrophobicContact CG2-CG1 4.31Å; V423-I425 HydrophobicContact CG1-CG1 4.43Å; I425-F441 HydrophobicContact CD1-CD2 4Å; I425-F441 HydrophobicContact CD1-CE2 4.25Å; I425-F441 HydrophobicContact CG2-CE2 4.16Å
426	L	52.6	Low	50	Low	55 Å²	55	88.1 Å²	88.1	29%	0.288	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.3	178.6	-71.6	74	0	0	0	108.9	L389 E390 L392	L389-L426 WeakPolarHBondContact CA-O 3.43Å; E390-L426 HydrophobicContact CB-CB 4.27Å; E390-L426 PolarHBondContact N-O 3.17Å; E390-L426 PolarHBondContact O-N 2.63Å; L392-L426 HydrophobicContact CD1-CD1 3.72Å; L392-L426 HydrophobicContact CD1-CD2 4.48Å; L392-L426 HydrophobicContact CG-CD1 4.06Å
427	L	60.7	Low	50.2	Low	102 Å²	102	95.2 Å²	95.2	53%	0.534	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.3	168.2	178.5	70.6	0	0	0	107.9	L389 F439	L389-L427 HydrophobicContact CD1-CB 4.37Å; L389-L427 HydrophobicContact CD1-CD1 4.11Å; L427-F439 HydrophobicContact CD1-CE1 3.83Å; L427-F439 HydrophobicContact CD2-CE1 3.84Å; L427-F439 HydrophobicContact CD2-CZ 4.26Å; L427-F439 HydrophobicContact CG-CE1 4.31Å
428	H	58	Low	50.2	Low	32 Å²	32	98.6 Å²	98.6	15%	0.148	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.1	171.1	-56.6	-91.2	0	0	0	107.8	H370 D387 Y388 E390	H370-H428 AromaticContact CE1-CE1 3.7Å; H370-H428 AromaticContact CE1-NE2 3.82Å; H370-H428 AromaticContact CG-CE1 3.58Å; H370-H428 AromaticContact ND1-CE1 3.03Å; H370-H428 PolarHBondContact ND1-CE1 2.83Å; H370-H428 AromaticContact ND1-ND1 3.68Å; H370-H428 AromaticContact ND1-NE2 3.52Å; D387-H428 WeakPolarHBondContact CA-O 3.41Å; Y388-H428 HydrophobicContact CD1-CB 3.92Å; Y388-H428 HydrophobicContact CD2-CB 4.18Å; Y388-H428 AromaticContact CD2-CD2 3.7Å; Y388-H428 HydrophobicContact CE1-CB 3.63Å; Y388-H428 HydrophobicContact CE2-CB 3.93Å; Y388-H428 AromaticContact CE2-CD2 3.09Å; Y388-H428 WeakPolarHBondContact CE2-CD2 3.37Å; Y388-H428 AromaticContact CE2-CG 3.62Å; Y388-H428 AromaticContact CE2-NE2 3.79Å; Y388-H428 HydrophobicContact CG-CB 4.2Å; Y388-H428 AromaticContact CZ-CD2 3.48Å; Y388-H428 VanDerWaalsContact CZ-CD2 3.48Å; Y388-H428 AromaticContact CZ-CG 3.51Å; Y388-H428 PolarHBondContact N-O 3.01Å; Y388-H428 PolarHBondContact O-N 3.2Å; Y388-H428 VanDerWaalsContact O-O 3.06Å; E390-H428 IonicContact OE2-CD2 2.68Å; E390-H428 IonicContact OE2-CE1 2.72Å; E390-H428 IonicContact OE2-NE2 2.94Å; E390-H428 PolarHBondContact OE2-NE2 2.74Å
429	S	58.3	Low	50.3	Low	84 Å²	84	100.8 Å²	100.8	59%	0.587	53%	0.53	S	S	*	.			trans	-132.2	130.5	-178.5	-174.4	0	0	0	0	110	D387	D387-S429 WeakPolarHBondContact OD1-CA 3.43Å; D387-S429 VanDerWaalsContact OD1-CB 3.31Å; D387-S429 WeakPolarHBondContact OD1-CB 3.15Å; D387-S429 PolarHBondContact OD1-OG 2.91Å
430	G	54.3	Low	50.6	Low	9 Å²	9	102.4 Å²	102.4	9%	0.093	53%	0.532	C	S	.	.			trans	-76.1	148.5	-174.7	0	0	0	0	0	112	D387 N432 G433	D387-G430 PolarHBondContact OD1-N 2.64Å; G430-N432 PolarHBondContact O-N 3.31Å; G430-G433 PolarHBondContact O-N 3.19Å
431	Y	54.1	Low	50.6	Low	222 Å²	222	104 Å²	104	87%	0.871	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20	-178.3	-85.1	-89.8	0	0	0	113.4
432	N	51.4	Low	50.5	Low	120 Å²	120	106.2 Å²	106.2	64%	0.642	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	8.3	-176.9	-63.9	-54.1	0	0	0	114.8	D385 G430	D385-N432 VanDerWaalsContact CG-ND2 3.29Å; D385-N432 PolarHBondContact OD1-N 3.26Å; D385-N432 PolarHBondContact OD1-ND2 3.3Å; D385-N432 PolarHBondContact OD2-ND2 2.96Å; G430-N432 PolarHBondContact O-N 3.31Å
433	G	47.4	Very low	50.5	Low	40 Å²	40	109.2 Å²	109.2	41%	0.412	55%	0.546	S	S	.	.			trans	-70.6	129.6	-173.5	0	0	0	0	0	115.6	G430 G435	G430-G433 PolarHBondContact O-N 3.19Å; G433-G435 PolarHBondContact O-N 2.71Å
434	N	45.7	Very low	50	Low	172 Å²	172	114.4 Å²	114.4	92%	0.92	56%	0.56	S	S	*	*			trans	-76.8	62.1	169.1	-87.9	-64	0	0	0	112	A436	N434-A436 PolarHBondContact O-N 2.82Å
435	G	43.8	Very low	49.4	Very low	68 Å²	68	119.4 Å²	119.4	70%	0.701	58%	0.583	S	S	*	*			trans	37.1	72	166.4	0	0	0	0	0	116.4	G433	G433-G435 PolarHBondContact O-N 2.71Å
436	A	42.4	Very low	48.6	Very low	71 Å²	71	120.7 Å²	120.7	59%	0.587	60%	0.599	S	S	*	*			trans	-64.3	165.6	-176	0	0	0	0	0	114.4	N434 R438	N434-A436 PolarHBondContact O-N 2.82Å; A436-R438 PolarHBondContact O-N 2.88Å
437	R	47.5	Very low	47.8	Very low	215 Å²	215	122.6 Å²	122.6	81%	0.811	61%	0.605	S	S	*	*			trans	-87.4	104.4	-166.3	-67.6	179	177.9	174.8	0.2	113.4
438	R	45.8	Very low	46.8	Very low	187 Å²	187	120.7 Å²	120.7	71%	0.706	60%	0.595	S	S	*	*			trans	17.3	105.3	153	-63	178.4	-177.5	157.5	2.8	116.9	A436 N504	A436-R438 PolarHBondContact O-N 2.88Å; R438-N504 PolarHBondContact NH1-O 3.47Å; R438-N504 PolarHBondContact NH2-O 2.8Å
439	F	44.3	Very low	45.8	Very low	112 Å²	112	122.5 Å²	122.5	49%	0.491	60%	0.601	S	S	.	*			trans	-76.1	164.6	160.2	58.7	-96.7	0	0	0	112.3	L389 L427 F441	L389-F439 HydrophobicContact CD1-CD1 4.29Å; L389-F439 HydrophobicContact CD1-CE1 3.98Å; L389-F439 HydrophobicContact CD1-CE2 4.39Å; L389-F439 HydrophobicContact CD1-CZ 4.02Å; L427-F439 HydrophobicContact CD1-CE1 3.83Å; L427-F439 HydrophobicContact CD2-CE1 3.84Å; L427-F439 HydrophobicContact CD2-CZ 4.26Å; L427-F439 HydrophobicContact CG-CE1 4.31Å; F439-F441 HydrophobicContact CB-CE1 3.85Å; F439-F441 HydrophobicContact CB-CZ 3.75Å; F439-F441 HydrophobicContact CD2-CD2 4.25Å; F439-F441 AromaticContact CD2-CE1 3.95Å; F439-F441 HydrophobicContact CD2-CE1 3.95Å; F439-F441 AromaticContact CD2-CE2 3.37Å; F439-F441 HydrophobicContact CD2-CE2 3.37Å; F439-F441 AromaticContact CD2-CZ 3.16Å; F439-F441 HydrophobicContact CD2-CZ 3.16Å; F439-F441 AromaticContact CE2-CE2 3.63Å; F439-F441 HydrophobicContact CE2-CE2 3.63Å; F439-F441 AromaticContact CE2-CZ 3.84Å; F439-F441 HydrophobicContact CE2-CZ 3.84Å; F439-F441 HydrophobicContact CG-CE1 4.2Å; F439-F441 HydrophobicContact CG-CE2 4.24Å; F439-F441 AromaticContact CG-CZ 3.59Å; F439-F441 HydrophobicContact CG-CZ 3.59Å
440	R	48.8	Very low	45	Very low	214 Å²	214	120.8 Å²	120.8	81%	0.808	59%	0.589	S	S	*	*			trans	-156.1	125.6	166.6	175.8	-171.1	-70.1	-174.1	-4.4	109.2
441	F	46.8	Very low	44.5	Very low	65 Å²	65	125.5 Å²	125.5	29%	0.285	62%	0.62	S	S	.	*			trans	-102.3	157.4	173.4	-41.5	-47.4	0	0	0	110.8	L389 M412 I425 F439	L389-F441 HydrophobicContact CD1-CE2 4.36Å; L389-F441 HydrophobicContact CD1-CZ 4.12Å; L389-F441 HydrophobicContact CD2-CE1 4.18Å; L389-F441 HydrophobicContact CD2-CE2 4.05Å; L389-F441 HydrophobicContact CD2-CZ 3.41Å; L389-F441 VanDerWaalsContact CD2-CZ 3.41Å; L389-F441 HydrophobicContact CG-CZ 4.42Å; M412-F441 HydrophobicContact CE-CD1 4.01Å; M412-F441 HydrophobicContact CE-CE1 3.39Å; M412-F441 HydrophobicContact CE-CZ 3.94Å; M412-F441 HydrophobicContact SD-CD1 4.42Å; M412-F441 HydrophobicContact SD-CE1 3.53Å; M412-F441 VanDerWaalsContact SD-CE1 3.53Å; M412-F441 HydrophobicContact SD-CZ 4.2Å; I425-F441 HydrophobicContact CD1-CD2 4Å; I425-F441 HydrophobicContact CD1-CE2 4.25Å; I425-F441 HydrophobicContact CG2-CE2 4.16Å; F439-F441 HydrophobicContact CB-CE1 3.85Å; F439-F441 HydrophobicContact CB-CZ 3.75Å; F439-F441 HydrophobicContact CD2-CD2 4.25Å; F439-F441 AromaticContact CD2-CE1 3.95Å; F439-F441 HydrophobicContact CD2-CE1 3.95Å; F439-F441 AromaticContact CD2-CE2 3.37Å; F439-F441 HydrophobicContact CD2-CE2 3.37Å; F439-F441 AromaticContact CD2-CZ 3.16Å; F439-F441 HydrophobicContact CD2-CZ 3.16Å; F439-F441 AromaticContact CE2-CE2 3.63Å; F439-F441 HydrophobicContact CE2-CE2 3.63Å; F439-F441 AromaticContact CE2-CZ 3.84Å; F439-F441 HydrophobicContact CE2-CZ 3.84Å; F439-F441 HydrophobicContact CG-CE1 4.2Å; F439-F441 HydrophobicContact CG-CE2 4.24Å; F439-F441 AromaticContact CG-CZ 3.59Å; F439-F441 HydrophobicContact CG-CZ 3.59Å
442	K	46.7	Very low	43.7	Very low	162 Å²	162	117.6 Å²	117.6	70%	0.704	60%	0.601	S	S	*	*			trans	-116.3	128.3	154	-76.1	-173.8	174.8	-173.9	0	106.4	Y444	K442-Y444 HydrophobicContact CB-CE2 4.31Å; K442-Y444 VanDerWaalsContact CD-OH 3.28Å; K442-Y444 WeakPolarHBondContact CD-OH 3.1Å
443	F	47.9	Very low	43.1	Very low	186 Å²	186	118.5 Å²	118.5	82%	0.816	60%	0.596	S	S	*	*			trans	-97.6	153.5	161.5	63.5	-87.8	0	0	0	108.5
444	Y	43.4	Very low	42.8	Very low	164 Å²	164	119.3 Å²	119.3	64%	0.643	59%	0.594	S	S	*	*			trans	-121.9	141.2	169.3	-58.8	-80.6	0	0	0	107.4	K442	K442-Y444 HydrophobicContact CB-CE2 4.31Å; K442-Y444 VanDerWaalsContact CD-OH 3.28Å; K442-Y444 WeakPolarHBondContact CD-OH 3.1Å
445	N	41.3	Very low	42.4	Very low	153 Å²	153	111.6 Å²	111.6	82%	0.818	55%	0.554	S	S	*	*	S	Bend	trans	-125	128.1	170.7	-174	2.3	0	0	0	105.3
446	S	40.6	Very low	42.1	Very low	102 Å²	102	112.8 Å²	112.8	71%	0.713	54%	0.542	S	S	*	.			trans	60.5	128.6	-149.2	68.2	0	0	0	0	114.7
447	F	35.8	Very low	42	Very low	95 Å²	95	113.4 Å²	113.4	42%	0.417	54%	0.536	S	S	.	.			trans	-150.8	161.6	157.3	-169.1	-103.6	0	0	0	111	Y449 Q462 N463	F447-Y449 AromaticContact CD1-CD1 3.57Å; F447-Y449 HydrophobicContact CD1-CD1 3.57Å; F447-Y449 AromaticContact CD1-CE1 3.69Å; F447-Y449 HydrophobicContact CD1-CE1 3.69Å; F447-Y449 AromaticContact CE1-CD1 3.4Å; F447-Y449 HydrophobicContact CE1-CD1 3.4Å; F447-Y449 VanDerWaalsContact CE1-CD1 3.4Å; F447-Y449 AromaticContact CE1-CE1 3.75Å; F447-Y449 HydrophobicContact CE1-CE1 3.75Å; F447-Y449 HydrophobicContact CE1-CG 4.35Å; F447-Q462 HydrophobicContact CB-CG 4.46Å; F447-Q462 CarbonylContact O-C 3.25Å; F447-Q462 VanDerWaalsContact O-O 3.11Å; F447-N463 PolarHBondContact O-N 3.35Å; F447-N463 VanDerWaalsContact O-O 3.14Å
448	D	38.6	Very low	41.7	Very low	62 Å²	62	109.6 Å²	109.6	33%	0.332	53%	0.532	S	S	.	.			trans	-131.4	69.1	-137.2	44.3	-83.7	0	0	0	118	N463 N464	D448-N463 WeakPolarHBondContact CA-O 3.48Å; D448-N464 HydrophobicContact CB-CB 4.28Å; D448-N464 WeakPolarHBondContact O-CB 3.3Å; D448-N464 PolarHBondContact O-ND2 2.67Å
449	Y	36.7	Very low	41	Very low	70 Å²	70	101 Å²	101	28%	0.275	50%	0.501	S	S	.	.			trans	-164.7	29.4	175.8	75.9	-64.7	0	0	0	119	F447 S451 Y453 V460 C461 Q462	F447-Y449 AromaticContact CD1-CD1 3.57Å; F447-Y449 HydrophobicContact CD1-CD1 3.57Å; F447-Y449 AromaticContact CD1-CE1 3.69Å; F447-Y449 HydrophobicContact CD1-CE1 3.69Å; F447-Y449 AromaticContact CE1-CD1 3.4Å; F447-Y449 HydrophobicContact CE1-CD1 3.4Å; F447-Y449 VanDerWaalsContact CE1-CD1 3.4Å; F447-Y449 AromaticContact CE1-CE1 3.75Å; F447-Y449 HydrophobicContact CE1-CE1 3.75Å; F447-Y449 HydrophobicContact CE1-CG 4.35Å; Y449-S451 PolarHBondContact O-N 3.09Å; Y449-Y453 AromaticContact CD2-CD2 3.97Å; Y449-Y453 HydrophobicContact CD2-CD2 3.97Å; Y449-Y453 HydrophobicContact CD2-CE2 4.18Å; Y449-Y453 AromaticContact CE2-CD2 3.95Å; Y449-Y453 HydrophobicContact CE2-CD2 3.95Å; Y449-Y453 HydrophobicContact CE2-CE2 4.38Å; Y449-V460 WeakPolarHBondContact CE2-O 3.34Å; Y449-V460 VanDerWaalsContact OH-C 3.23Å; Y449-V460 WeakPolarHBondContact OH-CG1 3.48Å; Y449-V460 PolarHBondContact OH-O 3.2Å; Y449-C461 PolarHBondContact O-SG 2.04Å; Y449-Q462 CarbonylContact C-O 3.53Å; Y449-Q462 VanDerWaalsContact C-O 3.32Å; Y449-Q462 WeakPolarHBondContact CA-O 3.21Å; Y449-Q462 PolarHBondContact N-O 2.86Å
450	C	41.6	Very low	40.5	Very low	48 Å²	48	97.4 Å²	97.4	32%	0.324	49%	0.488	S	S	.	.			trans	-63.7	-32.9	-165.8	-157.3	0	0	0	0	116.7	A452 C461 Q462 N463	C450-A452 PolarHBondContact O-N 2.86Å; C450-C461 HydrophobicContact CB-CB 4.4Å; C450-C461 WeakPolarHBondContact O-CB 3.38Å; C450-C461 PolarHBondContact O-SG 2.81Å; C450-Q462 VanDerWaalsContact CB-C 3.42Å; C450-Q462 PolarHBondContact N-O 2.68Å; C450-N463 VanDerWaalsContact CB-CA 3.46Å; C450-N463 HydrophobicContact CB-CB 3.49Å; C450-N463 VanDerWaalsContact CB-CB 3.49Å; C450-N463 VanDerWaalsContact CB-CG 3.46Å; C450-N463 WeakPolarHBondContact CB-OD1 3.44Å
451	S	43.6	Very low	39.9	Very low	108 Å²	108	87.7 Å²	87.7	76%	0.755	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	32	-168.4	32.7	0	0	0	0	113.4	Y449	Y449-S451 PolarHBondContact O-N 3.09Å
452	A	37.3	Very low	39.2	Very low	56 Å²	56	88 Å²	88	46%	0.463	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-25.6	-167.2	0	0	0	0	0	116.4	C450	C450-A452 PolarHBondContact O-N 2.86Å
453	Y	39	Very low	38.4	Very low	138 Å²	138	85.6 Å²	85.6	54%	0.541	45%	0.45	S	S	.	.			trans	-150.6	79.9	-173.9	-51.1	-80	0	0	0	111.1	Y449 C455 G459 C461	Y449-Y453 AromaticContact CD2-CD2 3.97Å; Y449-Y453 HydrophobicContact CD2-CD2 3.97Å; Y449-Y453 HydrophobicContact CD2-CE2 4.18Å; Y449-Y453 AromaticContact CE2-CD2 3.95Å; Y449-Y453 HydrophobicContact CE2-CD2 3.95Å; Y449-Y453 HydrophobicContact CE2-CE2 4.38Å; Y453-C455 PolarHBondContact O-N 3.36Å; Y453-G459 CarbonylContact O-C 3.54Å; Y453-C461 VanDerWaalsContact CB-SG 3.58Å; Y453-C461 PolarHBondContact N-SG 2.89Å; Y453-C461 WeakPolarHBondContact O-CB 3.02Å; Y453-C461 PolarHBondContact O-SG 2.86Å
454	P	40.6	Very low	37.5	Very low	57 Å²	57	80.1 Å²	80.1	37%	0.37	43%	0.43	S	S	.	.			trans	-71.2	14.9	-161.1	-22.7	35.5	0	0	0	118.8	A557	P454-A557 HydrophobicContact CB-CB 3.89Å
455	C	38.4	Very low	36.7	Very low	11 Å²	11	79.6 Å²	79.6	7%	0.074	44%	0.437	C	S	.	.	S	Bend	trans	-144.4	73.4	-141.3	-66.8	0	0	0	0	114.9	Y453 G459 S558 C559	Y453-C455 PolarHBondContact O-N 3.36Å; C455-G459 CarbonylContact C-O 3.57Å; C455-G459 WeakPolarHBondContact CA-O 3.28Å; C455-G459 PolarHBondContact N-O 2.95Å; C455-G459 CarbonylContact O-C 3.51Å; C455-G459 VanDerWaalsContact O-C 3.29Å; C455-G459 WeakPolarHBondContact O-CA 3.45Å; C455-G459 PolarHBondContact O-N 2.84Å; C455-G459 VanDerWaalsContact O-O 3.06Å; C455-S558 PolarHBondContact SG-O 3.03Å; C455-S558 VanDerWaalsContact SG-O 3.35Å; C455-C559 VanDerWaalsContact CA-SG 3.53Å; C455-C559 HydrophobicContact CB-CB 3.43Å; C455-C559 VanDerWaalsContact CB-CB 3.43Å; C455-C559 WeakPolarHBondContact CB-SG 3.31Å; C455-C559 WeakPolarHBondContact SG-CA 3.3Å; C455-C559 WeakPolarHBondContact SG-CB 3.37Å; C455-C559 PolarHBondContact SG-N 2.79Å; C455-C559 CovalentContact SG-SG 2.03Å; C455-C559 PolarHBondContact SG-SG 2.79Å
456	M	38.1	Very low	36	Very low	92 Å²	92	80 Å²	80	45%	0.453	43%	0.434	S	S	.	.	S	Bend	trans	-57.3	148.8	-166	-74.3	-165.4	173.4	0	0	115	G459 V460 W561	M456-G459 WeakPolarHBondContact CA-O 3.01Å; M456-G459 PolarHBondContact N-O 2.8Å; M456-G459 VanDerWaalsContact N-O 3.09Å; M456-V460 HydrophobicContact CE-CG1 4.34Å; M456-W561 PolarHBondContact O-NE1 2.63Å; M456-W561 VanDerWaalsContact O-NE1 3.1Å
457	N	39.1	Very low	35.3	Very low	85 Å²	85	81 Å²	81	46%	0.455	44%	0.435	S	S	.	.	S	Bend	trans	65.7	84.2	-164.4	-58.2	-28.9	0	0	0	112.3	V533	N457-V533 HydrophobicContact CB-CG2 4.13Å
458	D	40.8	Very low	34.7	Very low	135 Å²	135	81.6 Å²	81.6	72%	0.722	45%	0.452	S	S	*	.	S	Bend	trans	83.6	10.3	-165	-73.8	-19.6	0	0	0	117.4
459	G	31.3	Very low	34.1	Very low	6 Å²	6	84 Å²	84	6%	0.062	47%	0.473	C	S	.	.			trans	-154.2	71.6	162.6	0	0	0	0	0	112	Y453 C455 M456	Y453-G459 CarbonylContact O-C 3.54Å; C455-G459 CarbonylContact C-O 3.57Å; C455-G459 WeakPolarHBondContact CA-O 3.28Å; C455-G459 PolarHBondContact N-O 2.95Å; C455-G459 CarbonylContact O-C 3.51Å; C455-G459 VanDerWaalsContact O-C 3.29Å; C455-G459 WeakPolarHBondContact O-CA 3.45Å; C455-G459 PolarHBondContact O-N 2.84Å; C455-G459 VanDerWaalsContact O-O 3.06Å; M456-G459 WeakPolarHBondContact CA-O 3.01Å; M456-G459 PolarHBondContact N-O 2.8Å; M456-G459 VanDerWaalsContact N-O 3.09Å
460	V	35	Very low	33.5	Very low	37 Å²	37	86.4 Å²	86.4	22%	0.224	50%	0.495	C	S	.	.			trans	-82.5	138.6	179.4	-177.5	0	0	0	0	110.6	F417 Y449 M456	F417-V460 HydrophobicContact CD2-CG1 4.24Å; F417-V460 HydrophobicContact CE1-CG1 4.15Å; F417-V460 HydrophobicContact CE2-CG1 3.81Å; F417-V460 HydrophobicContact CZ-CG1 3.76Å; Y449-V460 WeakPolarHBondContact CE2-O 3.34Å; Y449-V460 VanDerWaalsContact OH-C 3.23Å; Y449-V460 WeakPolarHBondContact OH-CG1 3.48Å; Y449-V460 PolarHBondContact OH-O 3.2Å; M456-V460 HydrophobicContact CE-CG1 4.34Å
461	C	34.5	Very low	32.7	Very low	10 Å²	10	92.8 Å²	92.8	7%	0.068	52%	0.519	C	S	.	.			trans	-152.4	149.9	-177.5	-101.9	0	0	0	0	114	Y449 C450 Y453	Y449-C461 PolarHBondContact O-SG 2.04Å; C450-C461 HydrophobicContact CB-CB 4.4Å; C450-C461 WeakPolarHBondContact O-CB 3.38Å; C450-C461 PolarHBondContact O-SG 2.81Å; Y453-C461 VanDerWaalsContact CB-SG 3.58Å; Y453-C461 PolarHBondContact N-SG 2.89Å; Y453-C461 WeakPolarHBondContact O-CB 3.02Å; Y453-C461 PolarHBondContact O-SG 2.86Å
462	Q	32.8	Very low	31.9	Very low	70 Å²	70	93.2 Å²	93.2	33%	0.327	52%	0.517	S	S	.	.			trans	-169.1	152.2	167.6	44.2	-176.3	-119.3	0	0	110.6	F447 Y449 C450	F447-Q462 HydrophobicContact CB-CG 4.46Å; F447-Q462 CarbonylContact O-C 3.25Å; F447-Q462 VanDerWaalsContact O-O 3.11Å; Y449-Q462 CarbonylContact C-O 3.53Å; Y449-Q462 VanDerWaalsContact C-O 3.32Å; Y449-Q462 WeakPolarHBondContact CA-O 3.21Å; Y449-Q462 PolarHBondContact N-O 2.86Å; C450-Q462 VanDerWaalsContact CB-C 3.42Å; C450-Q462 PolarHBondContact N-O 2.68Å
463	N	30.8	Very low	31.3	Very low	113 Å²	113	96.6 Å²	96.6	60%	0.604	53%	0.527	S	S	*	.			trans	-93.1	146.4	-140.2	-143.7	1.3	0	0	0	121.4	F447 D448 C450	F447-N463 PolarHBondContact O-N 3.35Å; F447-N463 VanDerWaalsContact O-O 3.14Å; D448-N463 WeakPolarHBondContact CA-O 3.48Å; C450-N463 VanDerWaalsContact CB-CA 3.46Å; C450-N463 HydrophobicContact CB-CB 3.49Å; C450-N463 VanDerWaalsContact CB-CB 3.49Å; C450-N463 VanDerWaalsContact CB-CG 3.46Å; C450-N463 WeakPolarHBondContact CB-OD1 3.44Å
464	N	28.6	Very low	30.8	Very low	71 Å²	71	97.5 Å²	97.5	38%	0.38	54%	0.54	S	S	.	.			trans	-84.4	112.4	-160.9	179.8	-97	0	0	0	116.9	D448	D448-N464 HydrophobicContact CB-CB 4.28Å; D448-N464 WeakPolarHBondContact O-CB 3.3Å; D448-N464 PolarHBondContact O-ND2 2.67Å
465	L	27.1	Very low	30.1	Very low	153 Å²	153	99.1 Å²	99.1	80%	0.801	55%	0.545	S	S	*	.			trans	-150.1	126.2	167.6	-74.8	178.2	0	0	0	115
466	H	26.3	Very low	29.7	Very low	162 Å²	162	105.8 Å²	105.8	75%	0.75	59%	0.585	S	S	*	*			trans	-54.5	154.7	175.1	-65.2	-118.5	0	0	0	113.5
467	T	25.4	Very low	29.4	Very low	122 Å²	122	103.4 Å²	103.4	75%	0.748	58%	0.584	S	S	*	*				-167.6	144.9	60.1	43.9	0	0	0	0	114.9
468	S	23.4	Very low	28.9	Very low	108 Å²	108	107.6 Å²	107.6	76%	0.755	61%	0.605	S	S	*	*			trans	52.8	117.3	151.8	65	0	0	0	0	120.7
469	S	24.7	Very low	28.3	Very low	113 Å²	113	105 Å²	105	79%	0.79	60%	0.603	S	S	*	*				176.6	140.2	99.4	46	0	0	0	0	115.3
470	V	25	Very low	28.1	Very low	120 Å²	120	112.2 Å²	112.2	73%	0.727	64%	0.638	S	S	*	*			trans	48.3	107.5	154.4	-173.2	0	0	0	0	119	V472	V470-V472 HydrophobicContact CG1-CG2 3.77Å; V470-V472 PolarHBondContact O-N 3.33Å; V470-V472 VanDerWaalsContact O-N 3.09Å
471	H	24.7	Very low	27.9	Very low	181 Å²	181	118.5 Å²	118.5	84%	0.838	67%	0.669	S	S	*	*			trans	-61.7	104.5	151.6	-84.1	-91.7	0	0	0	110.6	L473	H471-L473 PolarHBondContact O-N 2.6Å
472	V	26.7	Very low	27.4	Very low	117 Å²	117	123.6 Å²	123.6	71%	0.709	70%	0.699	S	S	*	*			trans	-86	87	162.6	-175.1	0	0	0	0	108.7	V470 I474	V470-V472 HydrophobicContact CG1-CG2 3.77Å; V470-V472 PolarHBondContact O-N 3.33Å; V470-V472 VanDerWaalsContact O-N 3.09Å; V472-I474 HydrophobicContact CG1-CG1 4.35Å; V472-I474 PolarHBondContact O-N 3.28Å
473	L	24.4	Very low	27.3	Very low	127 Å²	127	126.3 Å²	126.3	67%	0.665	72%	0.72	S	S	*	*			trans	-66.2	113.7	161.9	-132.2	82	0	0	0	107.5	H471 L475	H471-L473 PolarHBondContact O-N 2.6Å; L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 HydrophobicContact CD2-CD2 3.92Å; L473-L475 HydrophobicContact CD2-CG 4.27Å; L473-L475 PolarHBondContact O-N 3.28Å
474	I	28.3	Very low	27.3	Very low	158 Å²	158	128.1 Å²	128.1	81%	0.81	73%	0.728	S	S	*	*			trans	-74.7	81.3	170	-58.5	-177.5	0	0	0	107.5	V472 T476	V472-I474 HydrophobicContact CG1-CG1 4.35Å; V472-I474 PolarHBondContact O-N 3.28Å; I474-T476 PolarHBondContact O-N 3.17Å
475	L	25.9	Very low	27.1	Very low	91 Å²	91	132.9 Å²	132.9	48%	0.476	75%	0.75	S	S	.	*			trans	-65.7	111.2	175.4	-79.6	171.4	0	0	0	110.2	L473 G477 A479	L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 HydrophobicContact CD2-CD2 3.92Å; L473-L475 HydrophobicContact CD2-CG 4.27Å; L473-L475 PolarHBondContact O-N 3.28Å; L475-G477 PolarHBondContact O-N 3.37Å; L475-A479 HydrophobicContact CD1-CB 4.5Å
476	T	30.3	Very low	27.4	Very low	151 Å²	151	130.6 Å²	130.6	93%	0.926	75%	0.745	S	S	*	*	S	Bend	trans	-66.8	72.1	143.9	51.6	0	0	0	0	109	I474	I474-T476 PolarHBondContact O-N 3.17Å
477	G	31.7	Very low	27.6	Very low	42 Å²	42	128.6 Å²	128.6	43%	0.433	74%	0.743	S	S	.	*	S	Bend	trans	127.8	98.8	175.5	0	0	0	0	0	115.8	L475	L475-G477 PolarHBondContact O-N 3.37Å
478	I	29.1	Very low	27.7	Very low	172 Å²	172	130.1 Å²	130.1	88%	0.882	74%	0.744	S	S	*	*			trans	43	100.9	138.6	-46.9	168.5	0	0	0	117.8
479	A	28.4	Very low	27.9	Very low	82 Å²	82	132.8 Å²	132.8	68%	0.678	74%	0.742	S	S	*	*			trans	-165.1	137.3	136	0	0	0	0	0	111.8	L475	L475-A479 HydrophobicContact CD1-CB 4.5Å
480	I	27.4	Very low	28	Very low	156 Å²	156	134.6 Å²	134.6	80%	0.8	74%	0.736	S	S	*	*			trans	-94.5	144.4	176.6	-66.5	157.1	0	0	0	109.4
481	I	29.8	Very low	28.1	Very low	170 Å²	170	135.8 Å²	135.8	87%	0.872	74%	0.737	S	S	*	*			trans	-165.6	152.1	137	-101.6	153	0	0	0	110.7
482	V	25.2	Very low	28.2	Very low	116 Å²	116	137.4 Å²	137.4	70%	0.703	74%	0.736	S	S	*	*			trans	-131.4	142.9	-173.3	172.3	0	0	0	0	109.2
483	V	30.3	Very low	28.2	Very low	127 Å²	127	139.4 Å²	139.4	77%	0.77	74%	0.739	S	S	*	*			trans	-173.3	100.1	153.3	149	0	0	0	0	106.1
484	I	31.1	Very low	28.2	Very low	151 Å²	151	143.9 Å²	143.9	77%	0.774	75%	0.747	S	S	*	*				82.7	113.7	91.3	-69.6	164.5	0	0	0	113.8
485	M	24	Very low	28.3	Very low	172 Å²	172	145.7 Å²	145.7	85%	0.847	75%	0.752	S	S	*	*			trans	-86.2	169.7	166.8	-127.7	177.3	-163.6	0	0	109.2
486	P	33.7	Very low	28.3	Very low	105 Å²	105	146.7 Å²	146.7	68%	0.682	76%	0.763	S	S	*	*				-164.6	172.5	85.1	42.9	-21.8	0	0	0	119.5
487	V	29.5	Very low	28.2	Very low	119 Å²	119	147.2 Å²	147.2	72%	0.721	76%	0.758	S	S	*	*			trans	53.9	145.3	159.6	-80.5	0	0	0	0	120
488	M	28.4	Very low	28	Very low	155 Å²	155	152.2 Å²	152.2	76%	0.764	77%	0.774	S	S	*	*			cis	-124.9	-168.1	10.6	-57.1	-83.1	-179	0	0	110.4
489	F	27.8	Very low	27.8	Very low	163 Å²	163	151.6 Å²	151.6	72%	0.715	77%	0.769	S	S	*	*			cis	-142.8	-92.7	-7.6	-158.7	-144.2	0	0	0	114.5
490	K	26.5	Very low	27.7	Very low	151 Å²	151	157.3 Å²	157.3	66%	0.657	78%	0.782	S	S	*	*			trans	-170.5	159.4	-154.1	-74.6	-178.1	-176.7	172.6	0	107.9
491	L	27.7	Very low	27.6	Very low	145 Å²	145	157.3 Å²	157.3	76%	0.759	78%	0.776	S	S	*	*			cis	-169.4	161.6	-11.5	-95	166.1	0	0	0	103.3
492	R	25.3	Very low	27.6	Very low	216 Å²	216	152.8 Å²	152.8	82%	0.815	77%	0.771	S	S	*	*			cis	-159.6	173.7	9.4	-143.3	176	171.4	-161.5	-2.8	104.9
493	M	27.7	Very low	27.8	Very low	158 Å²	158	152.6 Å²	152.6	78%	0.778	77%	0.766	S	S	*	*			cis	-135.4	-161.3	8.2	-48.2	-160.4	-72.7	0	0	111.2
494	R	23.7	Very low	27.8	Very low	221 Å²	221	152.8 Å²	152.8	83%	0.834	76%	0.763	S	S	*	*			trans	-150.7	157.2	161.9	-77.6	-178.3	172.2	174.6	-4.8	108.1
495	E	31.4	Very low	27.4	Very low	196 Å²	196	154.6 Å²	154.6	92%	0.916	76%	0.762	S	S	*	*				-136.8	156.7	126.3	-73.4	-148.3	139.6	0	0	109.5
496	T	25.3	Very low	27.6	Very low	113 Å²	113	156.6 Å²	156.6	69%	0.693	77%	0.766	S	S	*	*			trans	-167.7	125.8	-168.7	-51.6	0	0	0	0	110.3
497	I	28.6	Very low	27.1	Very low	161 Å²	161	155.4 Å²	155.4	83%	0.826	77%	0.765	S	S	*	*			trans	179.4	143.5	174.8	-102.2	143.6	0	0	0	107.8
498	L	27.6	Very low	27	Very low	148 Å²	148	159.5 Å²	159.5	78%	0.775	77%	0.773	S	S	*	*			cis	-151.1	174.2	-11.3	-115.9	171.5	0	0	0	112.1
499	M	23.4	Very low	26.9	Very low	158 Å²	158	157.6 Å²	157.6	78%	0.778	78%	0.775	S	S	*	*			trans	-85.7	163.2	-169.5	-51	141.8	61.8	0	0	115.4
500	Q	28	Very low	27	Very low	202 Å²	202	155.2 Å²	155.2	94%	0.944	78%	0.776	S	S	*	*				-147.8	175.9	129.3	-129.5	177.8	-1	0	0	113.1
501	K	23.9	Very low	27.1	Very low	157 Å²	157	154.6 Å²	154.6	68%	0.683	78%	0.784	S	S	*	*			trans	-141.8	144	-155	179.3	-179.3	-170.8	-81.1	0	112.5	D503	K501-D503 IonicContact NZ-OD1 2.74Å; K501-D503 PolarHBondContact NZ-OD1 3.4Å; K501-D503 IonicContact NZ-OD2 2.63Å; K501-D503 PolarHBondContact NZ-OD2 3.05Å
502	G	31.2	Very low	27.1	Very low	74 Å²	74	152.9 Å²	152.9	76%	0.763	78%	0.782	S	S	*	*			trans	-154.7	131.1	167.6	0	0	0	0	0	111.6
503	D	27.7	Very low	27.1	Very low	112 Å²	112	148.3 Å²	148.3	60%	0.599	78%	0.778	S	S	*	*			trans	-102.5	151.4	-169.8	-54.9	-88.1	0	0	0	113.2	K501	K501-D503 IonicContact NZ-OD1 2.74Å; K501-D503 PolarHBondContact NZ-OD1 3.4Å; K501-D503 IonicContact NZ-OD2 2.63Å; K501-D503 PolarHBondContact NZ-OD2 3.05Å
504	N	31.7	Very low	27	Very low	131 Å²	131	151.4 Å²	151.4	70%	0.701	78%	0.781	S	S	*	*			trans	172.6	153.5	130.7	-89.8	-37.8	0	0	0	112.1	R438	R438-N504 PolarHBondContact NH1-O 3.47Å; R438-N504 PolarHBondContact NH2-O 2.8Å
505	Y	22.9	Very low	27	Very low	190 Å²	190	147.6 Å²	147.6	75%	0.745	78%	0.776	S	S	*	*			trans	-130.5	143.6	178.2	-83.4	-105.8	0	0	0	109.9
506	F	28.1	Very low	26.7	Very low	214 Å²	214	143.2 Å²	143.2	94%	0.939	77%	0.774	S	S	*	*			trans	-156.1	148.7	142.5	-94.4	-66.3	0	0	0	109.6
507	A	23.3	Very low	26.6	Very low	79 Å²	79	146.8 Å²	146.8	65%	0.653	78%	0.78	S	S	*	*			trans	-143.8	148.8	177.1	0	0	0	0	0	109.2
508	F	27.3	Very low	26.4	Very low	205 Å²	205	147.3 Å²	147.3	90%	0.899	78%	0.779	S	S	*	*			trans	-157.6	166.6	155.4	-100	-62.9	0	0	0	110.9
509	S	25.2	Very low	26.2	Very low	115 Å²	115	147 Å²	147	80%	0.804	78%	0.777	S	S	*	*			trans	-117	179.4	-157.8	-112.9	0	0	0	0	113.2
510	P	31.4	Very low	26.4	Very low	114 Å²	114	149.3 Å²	149.3	74%	0.74	78%	0.783	S	S	*	*			trans	-109.4	-177.6	-151.8	42.6	-37.9	0	0	0	114.9
511	V	27.9	Very low	26.2	Very low	137 Å²	137	143 Å²	143	83%	0.83	77%	0.772	S	S	*	*			trans	-164	149.1	140	131.7	0	0	0	0	109.9
512	P	28.5	Very low	26.4	Very low	109 Å²	109	142 Å²	142	71%	0.708	78%	0.778	S	S	*	*			trans	-110.6	-178	-169.9	38.9	-28.5	0	0	0	114.4
513	V	24.3	Very low	26.1	Very low	121 Å²	121	147.9 Å²	147.9	73%	0.733	78%	0.783	S	S	*	*			trans	157.9	130.7	133.7	158.5	0	0	0	0	114.8
514	R	24.8	Very low	26	Very low	222 Å²	222	149 Å²	149	84%	0.838	79%	0.789	S	S	*	*			trans	75	123.4	156	-83	166.2	-170.6	-169.9	1.9	124.2
515	L	23.7	Very low	25.7	Very low	141 Å²	141	150 Å²	150	74%	0.738	79%	0.794	S	S	*	*			trans	66	106.9	131	-72.2	163.6	0	0	0	121.1	F517	L515-F517 HydrophobicContact CD2-CD2 4.5Å
516	A	26.3	Very low	25.9	Very low	104 Å²	104	148.9 Å²	148.9	86%	0.86	80%	0.8	S	S	*	*			trans	-135.1	161.4	137.4	0	0	0	0	0	108.7
517	F	23	Very low	25.8	Very low	188 Å²	188	144.2 Å²	144.2	83%	0.825	79%	0.788	S	S	*	*			trans	-119.3	165	-173.5	-118.7	-93.8	0	0	0	111.5	L515	L515-F517 HydrophobicContact CD2-CD2 4.5Å
518	Q	23.5	Very low	25.8	Very low	172 Å²	172	146.5 Å²	146.5	80%	0.804	80%	0.796	S	S	*	*			trans	94.9	142.9	145	-135.6	168.1	12.9	0	0	119.6
519	I	25.3	Very low	26	Very low	142 Å²	142	142.1 Å²	142.1	73%	0.728	78%	0.781	S	S	*	*			trans	97.3	120.4	164.7	-56.3	173.8	0	0	0	116.6
520	F	26.8	Very low	25.9	Very low	207 Å²	207	146.6 Å²	146.6	91%	0.908	79%	0.786	S	S	*	*			trans	53.4	121.2	173.6	-67.2	-59.7	0	0	0	122.2
521	G	24.4	Very low	25.7	Very low	69 Å²	69	143.2 Å²	143.2	71%	0.711	77%	0.772	S	S	*	*				95	104.5	125	0	0	0	0	0	118.9
522	V	26.9	Very low	25.5	Very low	135 Å²	135	143.3 Å²	143.3	82%	0.818	77%	0.768	S	S	*	*			trans	61.9	122.1	161.9	-168.8	0	0	0	0	116.6	N524	V522-N524 PolarHBondContact O-N 2.92Å
523	K	24.7	Very low	25.4	Very low	199 Å²	199	142.3 Å²	142.3	87%	0.865	76%	0.76	S	S	*	*			trans	-91.4	91.8	176.3	-71.6	-178.4	178	177.8	0	111.8	L525	K523-L525 PolarHBondContact O-N 2.81Å
524	N	26.6	Very low	25.5	Very low	134 Å²	134	144.7 Å²	144.7	72%	0.717	76%	0.757	S	S	*	*			trans	-82.7	89.7	156.3	-75.7	3.3	0	0	0	108.5	V522 L526	V522-N524 PolarHBondContact O-N 2.92Å; N524-L526 PolarHBondContact O-N 2.04Å
525	L	25.7	Very low	25.6	Very low	153 Å²	153	139.6 Å²	139.6	80%	0.801	74%	0.744	S	S	*	*			trans	-92.7	95.5	177.1	-162.4	81.1	0	0	0	110.3	K523 V527	K523-L525 PolarHBondContact O-N 2.81Å; L525-V527 PolarHBondContact O-N 3.31Å
526	L	26.3	Very low	25.7	Very low	167 Å²	167	138.3 Å²	138.3	87%	0.874	74%	0.736	S	S	*	*			trans	-57.2	123.2	175.3	-71.3	159.1	0	0	0	111.4	N524	N524-L526 PolarHBondContact O-N 2.04Å
527	V	25.6	Very low	25.7	Very low	116 Å²	116	141.6 Å²	141.6	70%	0.703	73%	0.733	S	S	*	*			trans	-112.7	117.7	163.1	179.2	0	0	0	0	107.1	L525 I529	L525-V527 PolarHBondContact O-N 3.31Å; V527-I529 PolarHBondContact O-N 2.82Å; V527-I529 VanDerWaalsContact O-N 3.16Å
528	P	24.7	Very low	25.8	Very low	126 Å²	126	139.5 Å²	139.5	82%	0.818	73%	0.728	S	S	*	*			trans	-77.4	104.3	-176.4	29.9	-33.3	0	0	0	110.9
529	I	29.6	Very low	26	Very low	114 Å²	114	135.9 Å²	135.9	59%	0.585	73%	0.727	S	S	*	*			trans	-79.4	147.1	163.4	-55.3	-178.7	0	0	0	107.9	V527 T564	V527-I529 PolarHBondContact O-N 2.82Å; V527-I529 VanDerWaalsContact O-N 3.16Å; I529-T564 HydrophobicContact CD1-CG2 3.58Å
530	K	24.2	Very low	26.4	Very low	208 Å²	208	139.1 Å²	139.1	90%	0.904	73%	0.73	S	S	*	*	S	Bend	trans	-81.5	121.6	174.7	-66	178.2	179.7	177.7	0	109.5
531	G	26	Very low	26.5	Very low	44 Å²	44	132.3 Å²	132.3	45%	0.454	71%	0.708	S	S	.	*			trans	147.8	118.4	-179.5	0	0	0	0	0	108.3	V533	G531-V533 PolarHBondContact O-N 3.5Å
532	N	23.9	Very low	27	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	68%	0.683	S	S	*	*			trans	-99.7	89.2	-169.3	-74.9	-10.4	0	0	0	111.1
533	V	26.6	Very low	27.2	Very low	88 Å²	88	128.3 Å²	128.3	53%	0.533	67%	0.67	S	S	.	*			trans	-127.7	122.4	162.7	-176.1	0	0	0	0	108.8	N457 G531	N457-V533 HydrophobicContact CB-CG2 4.13Å; G531-V533 PolarHBondContact O-N 3.5Å
534	Y	27.8	Very low	27.7	Very low	171 Å²	171	120.8 Å²	120.8	67%	0.671	64%	0.641	S	S	*	*			trans	-88.8	122.5	179.4	-78.8	-102.2	0	0	0	110.2	E413	E413-Y534 HydrophobicContact CG-CE2 4.06Å; E413-Y534 WeakPolarHBondContact OE1-CE1 3.14Å
535	M	25.7	Very low	28.2	Very low	114 Å²	114	118.3 Å²	118.3	56%	0.562	63%	0.627	S	S	*	*			trans	-89.6	123	172.7	-67.9	-175	-71.5	0	0	110.7	Q537	M535-Q537 PolarHBondContact O-N 2.79Å
536	M	25.8	Very low	29.1	Very low	115 Å²	115	112.2 Å²	112.2	57%	0.567	60%	0.595	S	S	*	*			trans	-75.3	100.9	158.6	-75.3	-168.5	79.1	0	0	109.1	M538	M536-M538 VanDerWaalsContact C-N 3.35Å; M536-M538 PolarHBondContact O-N 3.06Å
537	Q	25.6	Very low	30	Very low	172 Å²	172	106.4 Å²	106.4	80%	0.804	57%	0.565	S	S	*	*			trans	-79.2	78.1	-175.8	-167.4	176.9	32.4	0	0	112	M535	M535-Q537 PolarHBondContact O-N 2.79Å
538	M	26.2	Very low	30.7	Very low	145 Å²	145	104.3 Å²	104.3	71%	0.714	55%	0.549	S	S	*	.			trans	-90	159	158	-66.5	-160.8	-175.2	0	0	110.6	M536 R540	M536-M538 VanDerWaalsContact C-N 3.35Å; M536-M538 PolarHBondContact O-N 3.06Å; M538-R540 PolarHBondContact O-N 3.35Å; M538-R540 VanDerWaalsContact O-N 3.13Å
539	A	27.2	Very low	31.5	Very low	96 Å²	96	101.8 Å²	101.8	79%	0.793	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	113.7	-159.2	0	0	0	0	0	114.4	S541	A539-S541 PolarHBondContact O-N 3.02Å
540	R	34.5	Very low	32.1	Very low	210 Å²	210	104.1 Å²	104.1	79%	0.792	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	7.5	165	-64.3	-175.9	168.3	-160.6	-8.1	118.4	M538	M538-R540 PolarHBondContact O-N 3.35Å; M538-R540 VanDerWaalsContact O-N 3.13Å
541	S	28.1	Very low	33.1	Very low	64 Å²	64	101.6 Å²	101.6	45%	0.448	53%	0.533	S	S	.	.			trans	-141	144.4	170.3	55.1	0	0	0	0	112.7	A539	A539-S541 PolarHBondContact O-N 3.02Å
542	V	35.3	Very low	34	Very low	29 Å²	29	102.7 Å²	102.7	18%	0.176	53%	0.532	C	S	.	.	B	Isolated β-bridge	trans	-129.6	105.6	169.5	-164.1	0	0	0	0	108.7	V544 Y650	V542-V544 HydrophobicContact CG1-CG2 3.89Å; V542-V544 PolarHBondContact O-N 2.93Å; V542-Y650 CarbonylContact C-O 3.42Å; V542-Y650 HydrophobicContact CB-CD1 4.19Å; V542-Y650 HydrophobicContact CB-CD2 4.29Å; V542-Y650 HydrophobicContact CB-CE1 3.75Å; V542-Y650 HydrophobicContact CB-CE2 3.84Å; V542-Y650 HydrophobicContact CB-CG 4.44Å; V542-Y650 HydrophobicContact CG1-CE1 3.83Å; V542-Y650 HydrophobicContact CG2-CD2 4.48Å; V542-Y650 HydrophobicContact CG2-CE2 3.8Å; V542-Y650 PolarHBondContact N-O 3.09Å; V542-Y650 PolarHBondContact O-N 2.9Å; V542-Y650 VanDerWaalsContact O-O 3.05Å
543	T	30.2	Very low	35.2	Very low	90 Å²	90	97 Å²	97	55%	0.552	50%	0.502	S	S	*	.			trans	-81.2	95	174.1	-58.5	0	0	0	0	108.6	I545 R649	T543-I545 HydrophobicContact CG2-CG1 4.06Å; T543-R649 HydrophobicContact CG2-CG 4.17Å
544	V	36.6	Very low	36.3	Very low	42 Å²	42	97.8 Å²	97.8	26%	0.255	50%	0.503	S	S	.	.			trans	-102.9	94.3	168.4	-179.2	0	0	0	0	108.3	V542 L546 A648 Y650	V542-V544 HydrophobicContact CG1-CG2 3.89Å; V542-V544 PolarHBondContact O-N 2.93Å; V544-L546 HydrophobicContact CG1-CD2 3.73Å; V544-L546 HydrophobicContact CG1-CG 4.17Å; V544-L546 PolarHBondContact O-N 3.35Å; V544-A648 CarbonylContact C-O 3.59Å; V544-Y650 HydrophobicContact CB-CE1 4.35Å; V544-Y650 HydrophobicContact CG2-CD1 4.22Å; V544-Y650 HydrophobicContact CG2-CE1 3.63Å
545	I	36.9	Very low	37.7	Very low	81 Å²	81	93.7 Å²	93.7	42%	0.415	49%	0.489	S	S	.	.			trans	-63.9	112.9	168.5	-58.9	176.4	0	0	0	107.1	T543 D547 L548 L647	T543-I545 HydrophobicContact CG2-CG1 4.06Å; I545-D547 WeakPolarHBondContact CG2-O 3.44Å; I545-L548 HydrophobicContact CD1-CD2 4.09Å; I545-L548 HydrophobicContact CG2-CD2 3.78Å; I545-L548 HydrophobicContact CG2-CG 3.81Å; I545-L647 HydrophobicContact CB-CD1 4.23Å; I545-L647 HydrophobicContact CG1-CD1 3.99Å; I545-L647 HydrophobicContact CG2-CD1 3.92Å
546	L	44.5	Very low	39.5	Very low	26 Å²	26	89.7 Å²	89.7	14%	0.136	48%	0.477	C	S	.	.	S	Bend	trans	-85.8	-41.9	-177	-72.5	171.9	0	0	0	111.5	V544 W561 I631 F646 A648	V544-L546 HydrophobicContact CG1-CD2 3.73Å; V544-L546 HydrophobicContact CG1-CG 4.17Å; V544-L546 PolarHBondContact O-N 3.35Å; L546-W561 HydrophobicContact CD1-CE3 4.43Å; L546-W561 HydrophobicContact CD2-CD2 4Å; L546-W561 HydrophobicContact CD2-CG 4.24Å; L546-W561 HydrophobicContact CD2-CZ2 4.17Å; L546-I631 HydrophobicContact CD1-CD1 4.49Å; L546-F646 HydrophobicContact CB-CE1 4.24Å; L546-F646 HydrophobicContact CB-CE2 3.88Å; L546-F646 HydrophobicContact CB-CZ 3.65Å; L546-F646 HydrophobicContact CD1-CE2 3.46Å; L546-F646 VanDerWaalsContact CD1-CE2 3.46Å; L546-F646 HydrophobicContact CD1-CZ 3.64Å; L546-F646 HydrophobicContact CG-CE2 4.29Å; L546-F646 HydrophobicContact CG-CZ 4.25Å; L546-A648 HydrophobicContact CD1-CB 3.91Å; L546-A648 HydrophobicContact CG-CB 4.49Å
547	D	44.9	Very low	41	Very low	45 Å²	45	84.3 Å²	84.3	24%	0.241	45%	0.451	C	S	.	.	S	Bend	trans	-126.9	152.5	157.7	-82.4	-56.4	0	0	0	112.4	I545 F646	I545-D547 WeakPolarHBondContact CG2-O 3.44Å; D547-F646 PolarHBondContact N-O 3.47Å
548	L	41.3	Very low	43	Very low	72 Å²	72	80.3 Å²	80.3	38%	0.377	44%	0.441	S	S	.	.			trans	-102.4	132.5	176.9	-84.2	166.2	0	0	0	109.2	I545 E550 Q551	I545-L548 HydrophobicContact CD1-CD2 4.09Å; I545-L548 HydrophobicContact CG2-CD2 3.78Å; I545-L548 HydrophobicContact CG2-CG 3.81Å; L548-E550 PolarHBondContact O-N 3.34Å; L548-Q551 PolarHBondContact O-N 3.03Å
549	P	41	Very low	44.6	Very low	72 Å²	72	73.9 Å²	73.9	47%	0.468	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	8.3	-178.3	31.4	-37.7	0	0	0	114.6	L644	P549-L644 HydrophobicContact CB-CD2 4.47Å
550	E	42.7	Very low	46.6	Very low	163 Å²	163	72.1 Å²	72.1	76%	0.762	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-2.1	177.3	-65.7	-179.2	-179.7	0	0	113.1	L548	L548-E550 PolarHBondContact O-N 3.34Å
551	Q	43.6	Very low	48.3	Very low	156 Å²	156	63.4 Å²	63.4	73%	0.729	36%	0.36	S	S	*	.	S	Bend	trans	-139.1	139.4	172.2	-68.7	-166.3	-25.3	0	0	111.4	L548	L548-Q551 PolarHBondContact O-N 3.03Å
552	P	45.8	Very low	50.4	Low	66 Å²	66	64.7 Å²	64.7	43%	0.429	36%	0.362	S	S	.	.			trans	-69	146.8	177	31.5	-37.1	0	0	0	111.2	E642	P552-E642 HydrophobicContact CB-CB 3.71Å; P552-E642 HydrophobicContact CB-CG 3.78Å; P552-E642 WeakPolarHBondContact CB-OE2 3.45Å
553	V	48.9	Very low	52.2	Low	19 Å²	19	64.6 Å²	64.6	12%	0.115	36%	0.359	C	S	.	.			trans	-59.2	144	-176.4	161.7	0	0	0	0	113.2	K555 Y633 T635 H643	V553-K555 PolarHBondContact O-N 2.85Å; V553-Y633 WeakPolarHBondContact CG1-OH 3.47Å; V553-T635 HydrophobicContact CG1-CG2 3.78Å; V553-H643 VanDerWaalsContact CG2-O 3.24Å; V553-H643 WeakPolarHBondContact CG2-O 2.99Å; V553-H643 PolarHBondContact N-O 3.16Å
554	N	50	Low	54.2	Low	106 Å²	106	63.3 Å²	63.3	57%	0.567	35%	0.351	S	S	*	.			trans	-63.5	107.2	169.3	-74.3	-59.5	0	0	0	110.6	A557 T635	N554-A557 HydrophobicContact CB-CB 4.12Å; N554-A557 VanDerWaalsContact O-CB 3.24Å; N554-A557 WeakPolarHBondContact O-CB 3.4Å; N554-A557 PolarHBondContact O-N 3.23Å; N554-T635 PolarHBondContact O-OG1 2.71Å
555	K	58	Low	55.7	Low	85 Å²	85	62.4 Å²	62.4	37%	0.37	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	133.6	171.3	-63.9	177.3	167.5	-149.7	0	109.7	V553 I636 D638 A639 Y641	V553-K555 PolarHBondContact O-N 2.85Å; K555-I636 CarbonylContact C-O 3.57Å; K555-I636 WeakPolarHBondContact CA-O 3.45Å; K555-D638 VanDerWaalsContact CD-O 3.25Å; K555-D638 WeakPolarHBondContact CD-O 3.47Å; K555-D638 WeakPolarHBondContact CE-O 3.1Å; K555-D638 PolarHBondContact NZ-O 3.45Å; K555-A639 PolarHBondContact NZ-O 2.98Å; K555-Y641 WeakPolarHBondContact CE-O 3.4Å; K555-Y641 PolarHBondContact NZ-O 3.5Å
556	G	61.7	Low	57.5	Low	29 Å²	29	61.7 Å²	61.7	30%	0.299	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	12.6	-177.1	0	0	0	0	0	116.3	T635 I636	G556-T635 PolarHBondContact N-OG1 2.9Å; G556-I636 PolarHBondContact N-O 3.08Å
557	A	58.6	Low	58.8	Low	3 Å²	3	65.5 Å²	65.5	3%	0.025	38%	0.377	C	S	.	.			trans	-68.3	147.9	177.5	0	0	0	0	0	113	P454 N554 Y633 K634 T635	P454-A557 HydrophobicContact CB-CB 3.89Å; N554-A557 HydrophobicContact CB-CB 4.12Å; N554-A557 VanDerWaalsContact O-CB 3.24Å; N554-A557 WeakPolarHBondContact O-CB 3.4Å; N554-A557 PolarHBondContact O-N 3.23Å; A557-Y633 HydrophobicContact CB-CE1 4.44Å; A557-K634 WeakPolarHBondContact O-CA 3.31Å; A557-T635 WeakPolarHBondContact CB-OG1 3.41Å; A557-T635 PolarHBondContact N-OG1 3.27Å; A557-T635 PolarHBondContact O-N 3.4Å; A557-T635 PolarHBondContact O-OG1 3.31Å
558	S	66.7	Low	60	Low	87 Å²	87	68.3 Å²	68.3	61%	0.608	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	89.4	176.9	176.8	0	0	0	0	109.7	C455 Y633	C455-S558 PolarHBondContact SG-O 3.03Å; C455-S558 VanDerWaalsContact SG-O 3.35Å; S558-Y633 CarbonylContact C-O 3.6Å; S558-Y633 VanDerWaalsContact CA-O 3.29Å; S558-Y633 WeakPolarHBondContact CA-O 3.47Å
559	C	59.3	Low	61.5	Low	10 Å²	10	65.8 Å²	65.8	7%	0.068	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	157.3	-169	-49	0	0	0	0	112.3	C455 W561 D632 Y633	C455-C559 VanDerWaalsContact CA-SG 3.53Å; C455-C559 HydrophobicContact CB-CB 3.43Å; C455-C559 VanDerWaalsContact CB-CB 3.43Å; C455-C559 WeakPolarHBondContact CB-SG 3.31Å; C455-C559 WeakPolarHBondContact SG-CA 3.3Å; C455-C559 WeakPolarHBondContact SG-CB 3.37Å; C455-C559 PolarHBondContact SG-N 2.79Å; C455-C559 CovalentContact SG-SG 2.03Å; C455-C559 PolarHBondContact SG-SG 2.79Å; C559-W561 HydrophobicContact CB-CE3 4.41Å; C559-W561 HydrophobicContact CB-CH2 3.49Å; C559-W561 VanDerWaalsContact CB-CH2 3.49Å; C559-W561 HydrophobicContact CB-CZ2 3.79Å; C559-W561 HydrophobicContact CB-CZ3 3.8Å; C559-D632 CarbonylContact O-C 3.55Å; C559-D632 VanDerWaalsContact O-CA 3.3Å; C559-D632 WeakPolarHBondContact O-CA 3.31Å; C559-Y633 HydrophobicContact CB-CD1 4.25Å; C559-Y633 PolarHBondContact N-O 2.87Å; C559-Y633 PolarHBondContact O-N 3.32Å
560	S	70.9	Confident	63	Low	59 Å²	59	62.3 Å²	62.3	41%	0.413	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	118.2	173.7	-170.9	0	0	0	0	110.3	I630 I631 D632	S560-I630 WeakPolarHBondContact OG-CG2 3.04Å; S560-I631 CarbonylContact C-O 3.49Å; S560-I631 VanDerWaalsContact CA-O 3.27Å; S560-I631 WeakPolarHBondContact CA-O 3.44Å; S560-D632 WeakPolarHBondContact CB-OD1 3.19Å; S560-D632 PolarHBondContact OG-OD1 2.73Å
561	W	69.9	Low	64.5	Low	27 Å²	27	54.6 Å²	54.6	10%	0.102	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124	177.1	-59.7	-80.1	0	0	0	110.1	M456 L546 C559 F563 I630 I631 Y633 F646	M456-W561 PolarHBondContact O-NE1 2.63Å; M456-W561 VanDerWaalsContact O-NE1 3.1Å; L546-W561 HydrophobicContact CD1-CE3 4.43Å; L546-W561 HydrophobicContact CD2-CD2 4Å; L546-W561 HydrophobicContact CD2-CG 4.24Å; L546-W561 HydrophobicContact CD2-CZ2 4.17Å; C559-W561 HydrophobicContact CB-CE3 4.41Å; C559-W561 HydrophobicContact CB-CH2 3.49Å; C559-W561 VanDerWaalsContact CB-CH2 3.49Å; C559-W561 HydrophobicContact CB-CZ2 3.79Å; C559-W561 HydrophobicContact CB-CZ3 3.8Å; W561-F563 HydrophobicContact CB-CE2 3.93Å; W561-F563 HydrophobicContact CB-CZ 4.25Å; W561-I630 WeakPolarHBondContact O-CA 3.18Å; W561-I631 HydrophobicContact CE3-CB 4.29Å; W561-I631 HydrophobicContact CE3-CG2 4.06Å; W561-I631 HydrophobicContact CZ3-CG2 4.43Å; W561-I631 PolarHBondContact N-O 3.3Å; W561-I631 PolarHBondContact O-N 2.89Å; W561-Y633 HydrophobicContact CH2-CD1 4.39Å; W561-Y633 HydrophobicContact CH2-CG 4.46Å; W561-Y633 HydrophobicContact CZ3-CG 4.31Å; W561-F646 HydrophobicContact CE3-CZ 4.26Å; W561-F646 HydrophobicContact CH2-CE1 4Å; W561-F646 AromaticContact CH2-CZ 3.87Å; W561-F646 HydrophobicContact CH2-CZ 3.87Å; W561-F646 AromaticContact CZ3-CE1 3.97Å; W561-F646 HydrophobicContact CZ3-CE1 3.97Å; W561-F646 AromaticContact CZ3-CZ 3.5Å; W561-F646 HydrophobicContact CZ3-CZ 3.5Å
562	N	72.6	Confident	65.9	Low	92 Å²	92	47.4 Å²	47.4	49%	0.492	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	111.8	-178.1	-176.1	-11.6	0	0	0	110.9	T564 I630	N562-T564 PolarHBondContact OD1-OG1 2.86Å; N562-I630 HydrophobicContact CB-CG1 4.22Å
563	F	71.3	Confident	67.5	Low	27 Å²	27	44.3 Å²	44.3	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.5	175.6	-54.3	-96.9	0	0	0	108.7	W561 V571 N628 L629 I631 Y650	W561-F563 HydrophobicContact CB-CE2 3.93Å; W561-F563 HydrophobicContact CB-CZ 4.25Å; F563-V571 HydrophobicContact CB-CG1 4.28Å; F563-V571 HydrophobicContact CB-CG2 3.94Å; F563-V571 HydrophobicContact CG-CG1 4.41Å; F563-N628 CarbonylContact O-C 3.58Å; F563-N628 WeakPolarHBondContact O-CA 3.48Å; F563-N628 WeakPolarHBondContact O-CB 3.15Å; F563-L629 HydrophobicContact CB-CB 4.3Å; F563-L629 HydrophobicContact CD2-CB 4.39Å; F563-L629 HydrophobicContact CD2-CD2 4.48Å; F563-L629 PolarHBondContact N-O 3.11Å; F563-L629 PolarHBondContact O-N 2.9Å; F563-I631 HydrophobicContact CE2-CD1 3.63Å; F563-I631 HydrophobicContact CE2-CG1 3.92Å; F563-I631 HydrophobicContact CZ-CD1 4.16Å; F563-Y650 HydrophobicContact CD1-CD1 4.15Å; F563-Y650 AromaticContact CD1-CE1 3.98Å; F563-Y650 HydrophobicContact CD1-CE1 3.98Å; F563-Y650 AromaticContact CE1-CD1 3.67Å; F563-Y650 HydrophobicContact CE1-CD1 3.67Å; F563-Y650 AromaticContact CE1-CE1 3.63Å; F563-Y650 HydrophobicContact CE1-CE1 3.63Å; F563-Y650 HydrophobicContact CE1-CG 4.36Å
564	T	73.2	Confident	68.6	Low	62 Å²	62	45.4 Å²	45.4	38%	0.38	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.9	171.1	-61.4	0	0	0	0	110.1	I529 N562 N627	I529-T564 HydrophobicContact CD1-CG2 3.58Å; N562-T564 PolarHBondContact OD1-OG1 2.86Å; T564-N627 WeakPolarHBondContact CA-O 3.26Å
565	V	68.9	Low	69.7	Low	24 Å²	24	40.4 Å²	40.4	15%	0.145	25%	0.246	C	C	.	.			trans	-111.2	179.2	178.5	-63.3	0	0	0	0	111	S569 V571 N627 I652	V565-S569 WeakPolarHBondContact CG2-O 3.42Å; V565-V571 HydrophobicContact CG1-CG2 3.84Å; V565-V571 HydrophobicContact CG2-CG2 4.12Å; V565-N627 HydrophobicContact CG2-CB 4.05Å; V565-N627 WeakPolarHBondContact CG2-O 3.25Å; V565-N627 PolarHBondContact N-O 2.88Å; V565-N627 PolarHBondContact O-ND2 2.88Å; V565-I652 HydrophobicContact CB-CG2 4.37Å; V565-I652 HydrophobicContact CG1-CD1 3.95Å; V565-I652 HydrophobicContact CG1-CG1 4.01Å; V565-I652 HydrophobicContact CG1-CG2 4.15Å
566	S	73.9	Confident	70	Confident	66 Å²	66	37.6 Å²	37.6	46%	0.462	24%	0.235	S	C	.	.			trans	-63.1	153.2	175.9	59	0	0	0	0	111.5	D568 S569 N627	S566-D568 WeakPolarHBondContact CB-OD1 3.22Å; S566-D568 PolarHBondContact O-N 3.41Å; S566-D568 PolarHBondContact OG-OD1 2.86Å; S566-S569 PolarHBondContact O-N 3.43Å; S566-S569 PolarHBondContact OG-OG 2.88Å; S566-N627 WeakPolarHBondContact O-CB 3.35Å
567	S	71.5	Confident	70.2	Confident	106 Å²	106	38.3 Å²	38.3	74%	0.741	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-10.8	-172.5	53.5	0	0	0	0	115.4
568	D	71	Confident	70.8	Confident	104 Å²	104	38.2 Å²	38.2	56%	0.556	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	6.8	177.8	57.3	-12.7	0	0	0	113.2	S566 N655	S566-D568 WeakPolarHBondContact CB-OD1 3.22Å; S566-D568 PolarHBondContact O-N 3.41Å; S566-D568 PolarHBondContact OG-OD1 2.86Å; D568-N655 WeakPolarHBondContact O-CB 3.42Å; D568-N655 PolarHBondContact O-N 3.03Å
569	S	72.1	Confident	71.1	Confident	18 Å²	18	36.2 Å²	36.2	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	164	178.2	-64.1	0	0	0	0	112.3	V565 S566 N627 D653	V565-S569 WeakPolarHBondContact CG2-O 3.42Å; S566-S569 PolarHBondContact O-N 3.43Å; S566-S569 PolarHBondContact OG-OG 2.88Å; S569-N627 WeakPolarHBondContact O-CA 3.43Å; S569-N627 WeakPolarHBondContact O-CB 3.03Å; S569-D653 CarbonylContact C-O 3.6Å; S569-D653 VanDerWaalsContact CA-O 3.22Å; S569-D653 WeakPolarHBondContact CA-O 3.48Å; S569-D653 VanDerWaalsContact CB-O 3.28Å; S569-D653 WeakPolarHBondContact CB-O 3.07Å
570	C	72.5	Confident	71.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167.2	171.6	61.3	0	0	0	0	110.5	V623 S624 D653 D670	C570-V623 HydrophobicContact CB-CG1 4.28Å; C570-S624 WeakPolarHBondContact CB-O 3.47Å; C570-D653 PolarHBondContact N-O 2.98Å; C570-D653 PolarHBondContact O-N 3.21Å; C570-D670 PolarHBondContact SG-OD2 2.87Å
571	V	74.9	Confident	72	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.8	176.7	-177.1	0	0	0	0	108	F563 V565 V623 S624 L629 Y650	F563-V571 HydrophobicContact CB-CG1 4.28Å; F563-V571 HydrophobicContact CB-CG2 3.94Å; F563-V571 HydrophobicContact CG-CG1 4.41Å; V565-V571 HydrophobicContact CG1-CG2 3.84Å; V565-V571 HydrophobicContact CG2-CG2 4.12Å; V571-V623 WeakPolarHBondContact O-CA 3.41Å; V571-S624 PolarHBondContact N-OG 2.89Å; V571-S624 PolarHBondContact O-N 3.17Å; V571-L629 HydrophobicContact CB-CB 4.1Å; V571-L629 HydrophobicContact CB-CD2 4.36Å; V571-L629 HydrophobicContact CG1-CB 4.32Å; V571-L629 HydrophobicContact CG1-CD2 3.91Å; V571-L629 HydrophobicContact CG2-CB 4.36Å; V571-Y650 HydrophobicContact CG1-CD2 4.35Å
572	H	72.9	Confident	72.2	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.023	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	105	173	177.1	-179.8	0	0	0	108.2	E621 V623 Y650 Q651 F672	H572-E621 VanDerWaalsContact NE2-CG 3.35Å; H572-E621 WeakPolarHBondContact NE2-CG 3.19Å; H572-E621 IonicContact NE2-OE1 2.66Å; H572-V623 HydrophobicContact CB-CG1 4.32Å; H572-V623 HydrophobicContact CB-CG2 4.37Å; H572-Y650 CarbonylContact O-C 3.5Å; H572-Y650 VanDerWaalsContact O-CA 3.24Å; H572-Y650 WeakPolarHBondContact O-CA 3.5Å; H572-Q651 HydrophobicContact CB-CB 4.39Å; H572-Q651 PolarHBondContact N-O 2.91Å; H572-Q651 PolarHBondContact O-N 3.47Å; H572-F672 AromaticContact CE1-CD2 3.53Å; H572-F672 AromaticContact CE1-CG 3.9Å; H572-F672 AromaticContact ND1-CD2 3.45Å; H572-F672 WeakPolarHBondContact ND1-CD2 3.36Å; H572-F672 AromaticContact ND1-CE2 4Å
573	L	77.9	Confident	72.1	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.6	175.8	-171.5	75.1	0	0	0	110.5	L575 I597 I622 L629 I631 A648	L573-L575 HydrophobicContact CD2-CD1 4.08Å; L573-L575 HydrophobicContact CD2-CD2 4.45Å; L573-L575 HydrophobicContact CD2-CG 4.07Å; L573-L575 HydrophobicContact CG-CG 4.36Å; L573-I597 HydrophobicContact CD2-CD1 3.9Å; L573-I622 WeakPolarHBondContact CA-O 3.33Å; L573-I622 HydrophobicContact CB-CB 4.42Å; L573-I622 WeakPolarHBondContact CB-O 2.98Å; L573-I622 PolarHBondContact N-O 2.85Å; L573-I622 PolarHBondContact O-N 3.21Å; L573-L629 HydrophobicContact CB-CD2 4.04Å; L573-L629 HydrophobicContact CD2-CD2 4.27Å; L573-I631 HydrophobicContact CD1-CD1 3.82Å; L573-I631 HydrophobicContact CD2-CD1 3.61Å; L573-I631 HydrophobicContact CD2-CG1 4.38Å; L573-I631 HydrophobicContact CG-CD1 4.38Å; L573-A648 HydrophobicContact CD1-CB 4.16Å
574	L	73.3	Confident	72	Confident	42 Å²	42	38.8 Å²	38.8	22%	0.22	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	110.2	172	-70.6	161.5	0	0	0	107.5	E621 A648 R649	L574-E621 HydrophobicContact CD2-CB 4.45Å; L574-E621 HydrophobicContact CD2-CG 4.16Å; L574-A648 CarbonylContact O-C 3.58Å; L574-A648 WeakPolarHBondContact O-CA 3.29Å; L574-R649 PolarHBondContact N-O 2.96Å; L574-R649 PolarHBondContact O-N 3.4Å
575	L	73.3	Confident	71.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.3	170.2	-68.4	154.1	0	0	0	108.1	L573 V578 L595 I597 L613 Q619 I620 I622 F646 L647 A648	L573-L575 HydrophobicContact CD2-CD1 4.08Å; L573-L575 HydrophobicContact CD2-CD2 4.45Å; L573-L575 HydrophobicContact CD2-CG 4.07Å; L573-L575 HydrophobicContact CG-CG 4.36Å; L575-V578 HydrophobicContact CD1-CG2 4.45Å; L575-V578 HydrophobicContact CD2-CG2 4.24Å; L575-L595 HydrophobicContact CD1-CD2 4.36Å; L575-L595 HydrophobicContact CD2-CD2 3.9Å; L575-I597 HydrophobicContact CD1-CD1 3.84Å; L575-L613 HydrophobicContact CD1-CD1 3.43Å; L575-L613 VanDerWaalsContact CD1-CD1 3.43Å; L575-Q619 CarbonylContact O-C 3.58Å; L575-Q619 WeakPolarHBondContact O-CA 3.38Å; L575-I620 HydrophobicContact CB-CB 4.16Å; L575-I620 HydrophobicContact CD1-CB 4.25Å; L575-I620 HydrophobicContact CD1-CG2 4.17Å; L575-I620 PolarHBondContact N-O 2.97Å; L575-I620 PolarHBondContact O-N 2.98Å; L575-I622 HydrophobicContact CD1-CD1 4.35Å; L575-F646 HydrophobicContact CD2-CD2 3.71Å; L575-F646 HydrophobicContact CD2-CE2 4.35Å; L575-L647 WeakPolarHBondContact CA-O 3.3Å; L575-A648 HydrophobicContact CD2-CB 3.84Å
576	D	63.6	Low	70.7	Confident	27 Å²	27	43.5 Å²	43.5	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-36	180	-76	-55.6	0	0	0	112.5	Q619 L647 R649	D576-Q619 PolarHBondContact OD1-NE2 2.93Å; D576-L647 HydrophobicContact CB-CB 4.13Å; D576-L647 HydrophobicContact CB-CD2 3.86Å; D576-L647 HydrophobicContact CB-CG 3.94Å; D576-L647 PolarHBondContact N-O 2.04Å; D576-R649 IonicContact OD1-CZ 3.35Å; D576-R649 IonicContact OD1-NE 3.61Å; D576-R649 IonicContact OD1-NH2 3.66Å; D576-R649 PolarHBondContact OD1-NH2 2.99Å; D576-R649 IonicContact OD2-CZ 3.8Å; D576-R649 IonicContact OD2-NE 3.68Å; D576-R649 PolarHBondContact OD2-NE 3.07Å; D576-R649 IonicContact OD2-NH2 3.64Å; D576-R649 PolarHBondContact OD2-NH2 3.33Å
577	F	65.8	Low	69.9	Low	43 Å²	43	48.6 Å²	48.6	19%	0.189	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.2	168.5	65	-95.6	0	0	0	110.1	D579 L644 F646 L647	F577-D579 HydrophobicContact CD2-CB 4.41Å; F577-L644 HydrophobicContact CE2-CB 3.9Å; F577-L644 HydrophobicContact CZ-CB 4.41Å; F577-F646 WeakPolarHBondContact O-CA 3.37Å; F577-F646 WeakPolarHBondContact O-CB 3.24Å; F577-L647 HydrophobicContact CD1-CB 3.75Å; F577-L647 HydrophobicContact CE1-CB 3.33Å; F577-L647 HydrophobicContact CE1-CD2 4.1Å; F577-L647 HydrophobicContact CE1-CG 4.37Å; F577-L647 HydrophobicContact CZ-CB 3.82Å; F577-L647 PolarHBondContact O-N 2.86Å
578	V	72.2	Confident	69.5	Low	2 Å²	2	51.5 Å²	51.5	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	99.7	168.1	-175.8	0	0	0	0	109.4	L575 L580 L595 L613 D615 E616 F646	L575-V578 HydrophobicContact CD1-CG2 4.45Å; L575-V578 HydrophobicContact CD2-CG2 4.24Å; V578-L580 HydrophobicContact CG1-CD1 3.7Å; V578-L580 HydrophobicContact CG1-CG 3.99Å; V578-L595 HydrophobicContact CG1-CB 4.34Å; V578-L595 HydrophobicContact CG1-CD2 4.15Å; V578-L595 HydrophobicContact CG2-CD2 3.84Å; V578-L613 HydrophobicContact CG1-CB 4.24Å; V578-L613 HydrophobicContact CG2-CB 4.49Å; V578-L613 HydrophobicContact CG2-CD1 4.35Å; V578-D615 PolarHBondContact O-N 2.9Å; V578-E616 PolarHBondContact N-O 2.93Å; V578-E616 VanDerWaalsContact N-O 3.11Å; V578-E616 PolarHBondContact O-N 2.92Å; V578-F646 HydrophobicContact CB-CB 4.42Å; V578-F646 HydrophobicContact CG1-CB 4.34Å; V578-F646 HydrophobicContact CG2-CB 4.12Å
579	D	72.8	Confident	69.4	Low	44 Å²	44	50.7 Å²	50.7	24%	0.235	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.2	176.7	174.3	22.6	0	0	0	109.4	F577 H643 L644 G645	F577-D579 HydrophobicContact CD2-CB 4.41Å; D579-H643 IonicContact OD1-CE1 3.33Å; D579-H643 IonicContact OD1-CG 3.54Å; D579-H643 IonicContact OD1-ND1 3.12Å; D579-H643 PolarHBondContact OD1-ND1 3.13Å; D579-H643 WeakPolarHBondContact OD2-CA 3.21Å; D579-H643 IonicContact OD2-ND1 2.7Å; D579-L644 HydrophobicContact CB-CB 4.2Å; D579-L644 WeakPolarHBondContact OD2-CB 3.42Å; D579-L644 PolarHBondContact OD2-N 3.16Å; D579-G645 PolarHBondContact N-O 2.91Å; D579-G645 WeakPolarHBondContact O-CA 3.33Å; D579-G645 PolarHBondContact O-N 3.01Å; D579-G645 VanDerWaalsContact O-O 3.13Å
580	L	74.5	Confident	69.6	Low	3 Å²	3	50.4 Å²	50.4	2%	0.016	25%	0.245	C	C	.	.			trans	-152.8	144	-175.7	-61.6	175.3	0	0	0	111	V578 S582 E593 L595 C614 Y633 T635	V578-L580 HydrophobicContact CG1-CD1 3.7Å; V578-L580 HydrophobicContact CG1-CG 3.99Å; L580-S582 PolarHBondContact O-N 3.36Å; L580-E593 HydrophobicContact CB-CB 4.12Å; L580-L595 HydrophobicContact CD1-CB 4.01Å; L580-C614 HydrophobicContact CB-CB 4.34Å; L580-Y633 HydrophobicContact CD1-CD2 4.23Å; L580-Y633 HydrophobicContact CD1-CE2 3.76Å; L580-Y633 HydrophobicContact CD2-CE2 3.42Å; L580-Y633 VanDerWaalsContact CD2-CE2 3.42Å; L580-Y633 VanDerWaalsContact CD2-OH 3.32Å; L580-Y633 WeakPolarHBondContact CD2-OH 3.34Å; L580-Y633 HydrophobicContact CG-CE2 4.21Å; L580-T635 HydrophobicContact CD2-CG2 4.3Å
581	K	74.5	Confident	69.7	Low	44 Å²	44	54 Å²	54	19%	0.191	27%	0.265	C	S	.	.			trans	-71.1	115.2	-175.8	-160.7	171.6	-171.1	170.8	0	112	P592 E593 D638 D640 H643	K581-P592 WeakPolarHBondContact O-CD 3.27Å; K581-E593 HydrophobicContact CB-CB 4.5Å; K581-E593 HydrophobicContact CB-CG 3.93Å; K581-E593 WeakPolarHBondContact CB-OE2 3.48Å; K581-E593 PolarHBondContact N-OE2 2.84Å; K581-E593 VanDerWaalsContact O-CB 3.27Å; K581-E593 WeakPolarHBondContact O-CB 3.42Å; K581-E593 PolarHBondContact O-N 3.2Å; K581-D638 WeakPolarHBondContact CD-OD2 3.41Å; K581-D638 WeakPolarHBondContact CE-OD2 3.06Å; K581-D638 IonicContact NZ-OD1 2.67Å; K581-D638 PolarHBondContact NZ-OD1 3.13Å; K581-D638 IonicContact NZ-OD2 3.79Å; K581-D638 PolarHBondContact NZ-OD2 3.45Å; K581-D640 PolarHBondContact NZ-O 2.8Å; K581-H643 WeakPolarHBondContact CB-NE2 3.45Å
582	S	74.2	Confident	69.6	Low	22 Å²	22	55 Å²	55	15%	0.154	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-130.3	131.6	164.4	-174	0	0	0	0	114	L580 Y584 L589 D591	L580-S582 PolarHBondContact O-N 3.36Å; S582-Y584 PolarHBondContact O-N 3.01Å; S582-Y584 PolarHBondContact OG-N 2.04Å; S582-Y584 VanDerWaalsContact OG-N 3.09Å; S582-L589 PolarHBondContact OG-O 3.17Å; S582-D591 CarbonylContact C-O 3.38Å; S582-D591 VanDerWaalsContact CA-O 3.31Å; S582-D591 WeakPolarHBondContact CA-O 3.49Å; S582-D591 PolarHBondContact OG-N 3.35Å; S582-D591 PolarHBondContact OG-O 3.37Å
583	N	70.4	Confident	69.9	Low	110 Å²	110	55.3 Å²	55.3	59%	0.588	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.6	172.2	-63.7	-20.9	0	0	0	112.8	D591	N583-D591 PolarHBondContact N-O 3.29Å
584	Y	67.9	Low	70.1	Confident	90 Å²	90	58.8 Å²	58.8	35%	0.353	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	23.3	-170.9	-51.6	-65.9	0	0	0	113.9	S582 D586 Y587 K588 L589 D591	S582-Y584 PolarHBondContact O-N 3.01Å; S582-Y584 PolarHBondContact OG-N 2.04Å; S582-Y584 VanDerWaalsContact OG-N 3.09Å; Y584-D586 VanDerWaalsContact C-N 3.29Å; Y584-D586 PolarHBondContact O-N 2.72Å; Y584-Y587 HydrophobicContact CD1-CD2 4.35Å; Y584-Y587 WeakPolarHBondContact O-CA 3.29Å; Y584-Y587 WeakPolarHBondContact O-CB 3.13Å; Y584-Y587 PolarHBondContact O-N 2.85Å; Y584-K588 PolarHBondContact O-N 3.37Å; Y584-L589 CarbonylContact C-O 3.54Å; Y584-L589 VanDerWaalsContact C-O 3.27Å; Y584-L589 WeakPolarHBondContact CB-O 3.26Å; Y584-L589 PolarHBondContact O-N 3.31Å; Y584-D591 HydrophobicContact CD2-CB 4.26Å
585	A	58.1	Low	70.7	Confident	27 Å²	27	56.8 Å²	56.8	22%	0.223	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-51.4	-44.4	178	0	0	0	0	0	112.9	Y587 K588 D615	A585-Y587 PolarHBondContact O-N 3.21Å; A585-K588 PolarHBondContact O-N 3.44Å; A585-D615 HydrophobicContact CB-CB 3.9Å
586	D	57.8	Low	71.3	Confident	159 Å²	159	57.3 Å²	57.3	85%	0.85	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-49.1	-30.8	172.2	-87.7	-30	0	0	0	114.1	Y584	Y584-D586 VanDerWaalsContact C-N 3.29Å; Y584-D586 PolarHBondContact O-N 2.72Å
587	Y	57.8	Low	72.4	Confident	172 Å²	172	56 Å²	56	68%	0.675	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-98.3	1.7	-178.3	-59.2	-72.7	0	0	0	113.4	Y584 A585 L589	Y584-Y587 HydrophobicContact CD1-CD2 4.35Å; Y584-Y587 WeakPolarHBondContact O-CA 3.29Å; Y584-Y587 WeakPolarHBondContact O-CB 3.13Å; Y584-Y587 PolarHBondContact O-N 2.85Å; A585-Y587 PolarHBondContact O-N 3.21Å; Y587-L589 PolarHBondContact O-N 3.35Å
588	K	61.7	Low	73.3	Confident	168 Å²	168	56 Å²	56	73%	0.73	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.9	-171.2	-53.5	-163.8	173.8	-144.5	0	113.4	Y584 A585	Y584-K588 PolarHBondContact O-N 3.37Å; A585-K588 PolarHBondContact O-N 3.44Å
589	L	69.6	Low	73.9	Confident	86 Å²	86	57.3 Å²	57.3	45%	0.45	28%	0.275	S	S	.	.			trans	-111.4	120	171.8	-73.4	166.3	0	0	0	107	S582 Y584 Y587	S582-L589 PolarHBondContact OG-O 3.17Å; Y584-L589 CarbonylContact C-O 3.54Å; Y584-L589 VanDerWaalsContact C-O 3.27Å; Y584-L589 WeakPolarHBondContact CB-O 3.26Å; Y584-L589 PolarHBondContact O-N 3.31Å; Y587-L589 PolarHBondContact O-N 3.35Å
590	C	76.7	Confident	74.4	Confident	13 Å²	13	57.7 Å²	57.7	9%	0.088	28%	0.277	C	S	.	.			trans	-99.3	96.2	-179.6	-61.5	0	0	0	0	109.4	E593 R594 C614	C590-E593 CarbonylContact C-O 2.89Å; C590-R594 HydrophobicContact CB-CB 3.41Å; C590-R594 VanDerWaalsContact CB-CB 3.41Å; C590-R594 VanDerWaalsContact O-CD 3.22Å; C590-R594 WeakPolarHBondContact O-CD 3.09Å; C590-C614 WeakPolarHBondContact CA-SG 3.39Å; C590-C614 HydrophobicContact CB-CB 3.61Å; C590-C614 WeakPolarHBondContact CB-SG 3.08Å; C590-C614 WeakPolarHBondContact SG-CB 3.35Å; C590-C614 PolarHBondContact SG-N 2.03Å; C590-C614 CovalentContact SG-SG 2.04Å; C590-C614 PolarHBondContact SG-SG 3.21Å
591	D	74.4	Confident	74.3	Confident	76 Å²	76	59.9 Å²	59.9	41%	0.406	29%	0.288	S	S	.	.			trans	-154.6	132.3	178.6	-152	48.4	0	0	0	106.7	S582 N583 Y584 R594	S582-D591 CarbonylContact C-O 3.38Å; S582-D591 VanDerWaalsContact CA-O 3.31Å; S582-D591 WeakPolarHBondContact CA-O 3.49Å; S582-D591 PolarHBondContact OG-N 3.35Å; S582-D591 PolarHBondContact OG-O 3.37Å; N583-D591 PolarHBondContact N-O 3.29Å; Y584-D591 HydrophobicContact CD2-CB 4.26Å; D591-R594 IonicContact OD1-NH1 3.14Å
592	P	72.9	Confident	74	Confident	20 Å²	20	63.1 Å²	63.1	13%	0.13	31%	0.312	C	S	.	.	B	Isolated β-bridge	cis	-78.1	-23.4	8.7	30	-34.7	0	0	0	116	K581 I636	K581-P592 WeakPolarHBondContact O-CD 3.27Å; P592-I636 HydrophobicContact CB-CB 4.49Å; P592-I636 HydrophobicContact CB-CD1 3.64Å; P592-I636 HydrophobicContact CB-CG1 3.92Å; P592-I636 HydrophobicContact CB-CG2 3.8Å; P592-I636 HydrophobicContact CG-CD1 3.47Å; P592-I636 VanDerWaalsContact CG-CD1 3.47Å; P592-I636 HydrophobicContact CG-CG1 3.94Å
593	E	78.2	Confident	73.7	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.056	34%	0.338	C	S	.	.	S	Bend	trans	-107.4	148.5	-175.3	-48.5	-165	136.1	0	0	112.8	L580 K581 C590 K634 T635 I636	L580-E593 HydrophobicContact CB-CB 4.12Å; K581-E593 HydrophobicContact CB-CB 4.5Å; K581-E593 HydrophobicContact CB-CG 3.93Å; K581-E593 WeakPolarHBondContact CB-OE2 3.48Å; K581-E593 PolarHBondContact N-OE2 2.84Å; K581-E593 VanDerWaalsContact O-CB 3.27Å; K581-E593 WeakPolarHBondContact O-CB 3.42Å; K581-E593 PolarHBondContact O-N 3.2Å; C590-E593 CarbonylContact C-O 2.89Å; E593-K634 CarbonylContact C-O 3.53Å; E593-K634 VanDerWaalsContact CA-O 3.29Å; E593-K634 WeakPolarHBondContact CA-O 3.15Å; E593-T635 HydrophobicContact CG-CG2 4.47Å; E593-T635 VanDerWaalsContact OE1-CA 3.32Å; E593-T635 WeakPolarHBondContact OE1-CA 3.41Å; E593-T635 WeakPolarHBondContact OE1-CB 3.26Å; E593-T635 WeakPolarHBondContact OE1-CG2 3.46Å; E593-I636 HydrophobicContact CG-CG1 3.97Å; E593-I636 PolarHBondContact OE1-N 3.25Å
594	R	83.4	Confident	73.8	Confident	73 Å²	73	65.8 Å²	65.8	28%	0.275	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	157.5	-179.1	68.3	-162.2	-175.8	-124.5	4.5	115.6	C590 D591 D596 L613 K634	C590-R594 HydrophobicContact CB-CB 3.41Å; C590-R594 VanDerWaalsContact CB-CB 3.41Å; C590-R594 VanDerWaalsContact O-CD 3.22Å; C590-R594 WeakPolarHBondContact O-CD 3.09Å; D591-R594 IonicContact OD1-NH1 3.14Å; R594-D596 WeakPolarHBondContact CD-OD1 3.44Å; R594-D596 WeakPolarHBondContact CD-OD2 3.34Å; R594-D596 IonicContact CZ-OD2 2.69Å; R594-D596 IonicContact NE-OD1 3.73Å; R594-D596 IonicContact NE-OD2 3.95Å; R594-D596 PolarHBondContact NE-OD2 2.88Å; R594-D596 IonicContact NH2-OD2 3.69Å; R594-L613 CarbonylContact C-O 3.48Å; R594-L613 WeakPolarHBondContact CA-O 3.42Å; R594-K634 PolarHBondContact N-O 2.88Å; R594-K634 PolarHBondContact O-N 3.04Å
595	L	84	Confident	74.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	100.4	168.1	-179.4	75.3	0	0	0	108.3	L575 V578 L580 I597 L613 I631 D632 Y633 F646	L575-L595 HydrophobicContact CD1-CD2 4.36Å; L575-L595 HydrophobicContact CD2-CD2 3.9Å; V578-L595 HydrophobicContact CG1-CB 4.34Å; V578-L595 HydrophobicContact CG1-CD2 4.15Å; V578-L595 HydrophobicContact CG2-CD2 3.84Å; L580-L595 HydrophobicContact CD1-CB 4.01Å; L595-I597 HydrophobicContact CD2-CD1 4.36Å; L595-I597 HydrophobicContact CG-CD1 4.42Å; L595-I597 HydrophobicContact CG-CG1 4.4Å; L595-L613 HydrophobicContact CB-CB 4.11Å; L595-L613 HydrophobicContact CD2-CB 4.43Å; L595-L613 HydrophobicContact CD2-CD1 4.21Å; L595-L613 PolarHBondContact N-O 2.83Å; L595-L613 PolarHBondContact O-N 3.46Å; L595-I631 HydrophobicContact CD1-CG2 3.35Å; L595-I631 HydrophobicContact CG-CG2 4.16Å; L595-D632 CarbonylContact C-O 3.5Å; L595-D632 WeakPolarHBondContact CA-O 3.45Å; L595-Y633 HydrophobicContact CB-CD2 4.33Å; L595-Y633 HydrophobicContact CD1-CD2 3.79Å; L595-Y633 HydrophobicContact CD1-CG 4.37Å; L595-F646 HydrophobicContact CD1-CD1 4.15Å; L595-F646 HydrophobicContact CD1-CD2 3.96Å; L595-F646 HydrophobicContact CD1-CE1 3.85Å; L595-F646 HydrophobicContact CD1-CE2 3.6Å; L595-F646 HydrophobicContact CD1-CG 4.22Å; L595-F646 HydrophobicContact CD1-CZ 3.56Å; L595-F646 HydrophobicContact CD2-CB 4.35Å; L595-F646 HydrophobicContact CD2-CD2 3.62Å; L595-F646 HydrophobicContact CD2-CE2 4.02Å; L595-F646 HydrophobicContact CD2-CG 3.96Å; L595-F646 HydrophobicContact CG-CD2 4.48Å; L595-F646 HydrophobicContact CG-CE2 4.49Å
596	D	86.1	Confident	74.9	Confident	13 Å²	13	68.1 Å²	68.1	7%	0.07	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.1	-177	-73.3	-28	0	0	0	110.7	R594 Y598 L609 S612 D632	R594-D596 WeakPolarHBondContact CD-OD1 3.44Å; R594-D596 WeakPolarHBondContact CD-OD2 3.34Å; R594-D596 IonicContact CZ-OD2 2.69Å; R594-D596 IonicContact NE-OD1 3.73Å; R594-D596 IonicContact NE-OD2 3.95Å; R594-D596 PolarHBondContact NE-OD2 2.88Å; R594-D596 IonicContact NH2-OD2 3.69Å; D596-Y598 HydrophobicContact CB-CD2 4.32Å; D596-Y598 HydrophobicContact CB-CE2 3.45Å; D596-Y598 VanDerWaalsContact CB-CE2 3.45Å; D596-Y598 VanDerWaalsContact O-CD2 3.29Å; D596-Y598 WeakPolarHBondContact O-CD2 3.34Å; D596-Y598 WeakPolarHBondContact O-CE2 3.22Å; D596-L609 HydrophobicContact CB-CD1 3.93Å; D596-S612 WeakPolarHBondContact OD1-CB 3.4Å; D596-S612 PolarHBondContact OD1-OG 3.22Å; D596-D632 HydrophobicContact CB-CB 4.3Å; D596-D632 PolarHBondContact N-O 2.81Å; D596-D632 PolarHBondContact O-N 2.7Å
597	I	87.5	Confident	75.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.4	-174	-58.3	175.4	0	0	0	110	L573 L575 L595 L609 I610 R611 L613 I622 L629 I630 I631	L573-I597 HydrophobicContact CD2-CD1 3.9Å; L575-I597 HydrophobicContact CD1-CD1 3.84Å; L595-I597 HydrophobicContact CD2-CD1 4.36Å; L595-I597 HydrophobicContact CG-CD1 4.42Å; L595-I597 HydrophobicContact CG-CG1 4.4Å; I597-L609 WeakPolarHBondContact O-CD1 3.44Å; I597-I610 HydrophobicContact CG2-CD1 4.47Å; I597-I610 WeakPolarHBondContact O-CA 3.36Å; I597-I610 WeakPolarHBondContact O-CB 3.41Å; I597-I610 PolarHBondContact O-N 3.29Å; I597-R611 PolarHBondContact N-O 3.48Å; I597-R611 PolarHBondContact O-N 3.12Å; I597-L613 HydrophobicContact CD1-CD1 3.81Å; I597-I622 HydrophobicContact CD1-CD1 3.61Å; I597-I622 HydrophobicContact CG2-CD1 4.41Å; I597-I622 HydrophobicContact CG2-CG2 4.29Å; I597-L629 HydrophobicContact CG2-CD1 3.82Å; I597-L629 HydrophobicContact CG2-CG 4.31Å; I597-I630 CarbonylContact C-O 3.55Å; I597-I630 WeakPolarHBondContact CA-O 3.33Å; I597-I631 HydrophobicContact CG1-CG1 4.29Å; I597-I631 HydrophobicContact CG1-CG2 4.3Å; I597-I631 HydrophobicContact CG2-CG1 4.46Å
598	Y	85.8	Confident	77	Confident	41 Å²	41	57.8 Å²	57.8	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	168	-169.8	-56.2	-102.2	0	0	0	113.2	D596 K607 H608 L609 L629 I630 D632	D596-Y598 HydrophobicContact CB-CD2 4.32Å; D596-Y598 HydrophobicContact CB-CE2 3.45Å; D596-Y598 VanDerWaalsContact CB-CE2 3.45Å; D596-Y598 VanDerWaalsContact O-CD2 3.29Å; D596-Y598 WeakPolarHBondContact O-CD2 3.34Å; D596-Y598 WeakPolarHBondContact O-CE2 3.22Å; Y598-K607 HydrophobicContact CD1-CD 3.9Å; Y598-K607 HydrophobicContact CD1-CG 3.67Å; Y598-K607 HydrophobicContact CD2-CD 4.29Å; Y598-K607 HydrophobicContact CE1-CD 4.22Å; Y598-K607 HydrophobicContact CE1-CG 4.38Å; Y598-K607 HydrophobicContact CG-CD 3.95Å; Y598-K607 VanDerWaalsContact CG-CE 3.42Å; Y598-K607 HydrophobicContact CG-CG 3.85Å; Y598-H608 CarbonylContact C-O 3.59Å; Y598-H608 WeakPolarHBondContact CA-O 3.37Å; Y598-H608 WeakPolarHBondContact CB-O 3.22Å; Y598-L609 VanDerWaalsContact CD1-CA 3.48Å; Y598-L609 HydrophobicContact CD1-CB 3.86Å; Y598-L609 HydrophobicContact CD1-CD1 3.86Å; Y598-L609 HydrophobicContact CD1-CG 4.49Å; Y598-L609 HydrophobicContact CD2-CD1 4.25Å; Y598-L609 HydrophobicContact CE1-CB 3.86Å; Y598-L609 HydrophobicContact CE1-CD1 3.59Å; Y598-L609 HydrophobicContact CE1-CG 4.32Å; Y598-L609 HydrophobicContact CE2-CD1 4.04Å; Y598-L609 HydrophobicContact CG-CD1 4.17Å; Y598-L629 WeakPolarHBondContact O-CD1 3.08Å; Y598-I630 PolarHBondContact N-O 3.49Å; Y598-I630 PolarHBondContact O-N 3.01Å; Y598-D632 HydrophobicContact CE2-CB 4Å; Y598-D632 WeakPolarHBondContact CE2-OD2 3.12Å
599	Y	84.5	Confident	78	Confident	30 Å²	30	54.2 Å²	54.2	12%	0.118	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.5	157.2	72.6	-82	0	0	0	110.9	D601 H608 I610 P625	Y599-D601 HydrophobicContact CE2-CB 4.15Å; Y599-H608 HydrophobicContact CD1-CB 4Å; Y599-H608 HydrophobicContact CE1-CB 3.46Å; Y599-H608 VanDerWaalsContact CE1-CB 3.46Å; Y599-H608 HydrophobicContact CE2-CB 4.27Å; Y599-H608 AromaticContact CE2-CD2 3.86Å; Y599-H608 AromaticContact CZ-CD2 3.78Å; Y599-H608 AromaticContact CZ-CG 3.89Å; Y599-H608 PolarHBondContact N-O 2.83Å; Y599-H608 PolarHBondContact O-N 2.9Å; Y599-I610 HydrophobicContact CD1-CD1 4.07Å; Y599-I610 HydrophobicContact CD1-CG1 3.81Å; Y599-P625 HydrophobicContact CD1-CG 3.39Å; Y599-P625 HydrophobicContact CD2-CG 3.91Å; Y599-P625 HydrophobicContact CE1-CG 3.62Å; Y599-P625 HydrophobicContact CE2-CG 4.15Å; Y599-P625 HydrophobicContact CG-CG 3.55Å
600	L	81.7	Confident	78.6	Confident	52 Å²	52	53.2 Å²	53.2	27%	0.272	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.6	166.8	-59.6	172	0	0	0	109.6	T602 E606 K607 N628 I630	L600-T602 PolarHBondContact O-N 3.4Å; L600-E606 WeakPolarHBondContact CA-O 3.43Å; L600-K607 HydrophobicContact CD2-CB 3.84Å; L600-K607 HydrophobicContact CD2-CG 3.99Å; L600-N628 WeakPolarHBondContact CB-OD1 3.19Å; L600-N628 PolarHBondContact N-OD1 3.37Å; L600-N628 PolarHBondContact O-ND2 2.87Å; L600-I630 HydrophobicContact CD1-CD1 3.93Å; L600-I630 HydrophobicContact CD2-CD1 3.97Å; L600-I630 HydrophobicContact CG-CD1 3.73Å
601	D	73.6	Confident	78.9	Confident	49 Å²	49	56.5 Å²	56.5	26%	0.262	30%	0.302	S	S	.	.			trans	-71.4	119.2	166.3	-177.8	-33	0	0	0	108.9	Y599 S603 N604 G605 E606	Y599-D601 HydrophobicContact CE2-CB 4.15Å; D601-S603 PolarHBondContact O-N 2.04Å; D601-S603 WeakPolarHBondContact OD1-CA 3.46Å; D601-S603 VanDerWaalsContact OD1-CB 3.23Å; D601-S603 WeakPolarHBondContact OD1-CB 3.35Å; D601-S603 PolarHBondContact OD1-N 3.49Å; D601-S603 PolarHBondContact OD1-OG 2.99Å; D601-N604 WeakPolarHBondContact CB-OD1 3.41Å; D601-N604 PolarHBondContact O-OD1 3.25Å; D601-G605 WeakPolarHBondContact O-CA 3.27Å; D601-G605 PolarHBondContact O-N 3.1Å; D601-E606 PolarHBondContact N-O 3.48Å
602	T	67.6	Low	79.4	Confident	113 Å²	113	54.6 Å²	54.6	69%	0.693	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.6	-174.3	57.8	0	0	0	0	113.8	L600	L600-T602 PolarHBondContact O-N 3.4Å
603	S	68.5	Low	80	Confident	100 Å²	100	53.6 Å²	53.6	70%	0.699	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-28.5	179	73.7	0	0	0	0	113.8	D601	D601-S603 PolarHBondContact O-N 2.04Å; D601-S603 WeakPolarHBondContact OD1-CA 3.46Å; D601-S603 VanDerWaalsContact OD1-CB 3.23Å; D601-S603 WeakPolarHBondContact OD1-CB 3.35Å; D601-S603 PolarHBondContact OD1-N 3.49Å; D601-S603 PolarHBondContact OD1-OG 2.99Å
604	N	73.2	Confident	80.2	Confident	88 Å²	88	53.4 Å²	53.4	47%	0.471	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-18.2	-177.6	65.3	-2.5	0	0	0	114.1	D601 E606	D601-N604 WeakPolarHBondContact CB-OD1 3.41Å; D601-N604 PolarHBondContact O-OD1 3.25Å; N604-E606 VanDerWaalsContact ND2-CB 3.31Å; N604-E606 WeakPolarHBondContact ND2-CB 3.47Å; N604-E606 PolarHBondContact ND2-OE2 3.39Å; N604-E606 VanDerWaalsContact OD1-CB 3.3Å; N604-E606 WeakPolarHBondContact OD1-CB 3.46Å; N604-E606 PolarHBondContact OD1-N 2.8Å
605	G	72.5	Confident	79.9	Confident	56 Å²	56	54.6 Å²	54.6	58%	0.577	30%	0.3	S	S	*	.			trans	82.6	15.1	-175.2	0	0	0	0	0	114.7	D601	D601-G605 WeakPolarHBondContact O-CA 3.27Å; D601-G605 PolarHBondContact O-N 3.1Å
606	E	76.3	Confident	79.4	Confident	109 Å²	109	56.5 Å²	56.5	51%	0.509	31%	0.308	S	S	.	.			trans	-83.5	138.3	-176.2	-169.2	165.7	-159.7	0	0	111.8	L600 D601 N604 H608	L600-E606 WeakPolarHBondContact CA-O 3.43Å; D601-E606 PolarHBondContact N-O 3.48Å; N604-E606 VanDerWaalsContact ND2-CB 3.31Å; N604-E606 WeakPolarHBondContact ND2-CB 3.47Å; N604-E606 PolarHBondContact ND2-OE2 3.39Å; N604-E606 VanDerWaalsContact OD1-CB 3.3Å; N604-E606 WeakPolarHBondContact OD1-CB 3.46Å; N604-E606 PolarHBondContact OD1-N 2.8Å; E606-H608 IonicContact OE2-CE1 3.55Å; E606-H608 IonicContact OE2-NE2 2.6Å
607	K	78.2	Confident	78.2	Confident	76 Å²	76	63.4 Å²	63.4	33%	0.33	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	103.9	-177.3	-164.5	-172.4	-170.4	-175.6	0	109.9	Y598 L600 D632	Y598-K607 HydrophobicContact CD1-CD 3.9Å; Y598-K607 HydrophobicContact CD1-CG 3.67Å; Y598-K607 HydrophobicContact CD2-CD 4.29Å; Y598-K607 HydrophobicContact CE1-CD 4.22Å; Y598-K607 HydrophobicContact CE1-CG 4.38Å; Y598-K607 HydrophobicContact CG-CD 3.95Å; Y598-K607 VanDerWaalsContact CG-CE 3.42Å; Y598-K607 HydrophobicContact CG-CG 3.85Å; L600-K607 HydrophobicContact CD2-CB 3.84Å; L600-K607 HydrophobicContact CD2-CG 3.99Å; K607-D632 IonicContact NZ-OD1 2.68Å; K607-D632 PolarHBondContact NZ-OD1 3.4Å; K607-D632 IonicContact NZ-OD2 3.42Å; K607-D632 PolarHBondContact NZ-OD2 2.8Å
608	H	80.2	Confident	77.2	Confident	38 Å²	38	67.6 Å²	67.6	18%	0.176	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.4	-178.9	-64.5	-76.2	0	0	0	111.2	Y598 Y599 E606	Y598-H608 CarbonylContact C-O 3.59Å; Y598-H608 WeakPolarHBondContact CA-O 3.37Å; Y598-H608 WeakPolarHBondContact CB-O 3.22Å; Y599-H608 HydrophobicContact CD1-CB 4Å; Y599-H608 HydrophobicContact CE1-CB 3.46Å; Y599-H608 VanDerWaalsContact CE1-CB 3.46Å; Y599-H608 HydrophobicContact CE2-CB 4.27Å; Y599-H608 AromaticContact CE2-CD2 3.86Å; Y599-H608 AromaticContact CZ-CD2 3.78Å; Y599-H608 AromaticContact CZ-CG 3.89Å; Y599-H608 PolarHBondContact N-O 2.83Å; Y599-H608 PolarHBondContact O-N 2.9Å; E606-H608 IonicContact OE2-CE1 3.55Å; E606-H608 IonicContact OE2-NE2 2.6Å
609	L	82.5	Confident	76.6	Confident	93 Å²	93	72.1 Å²	72.1	49%	0.487	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.6	176.3	-173.7	73.2	0	0	0	110.2	D596 I597 Y598	D596-L609 HydrophobicContact CB-CD1 3.93Å; I597-L609 WeakPolarHBondContact O-CD1 3.44Å; Y598-L609 VanDerWaalsContact CD1-CA 3.48Å; Y598-L609 HydrophobicContact CD1-CB 3.86Å; Y598-L609 HydrophobicContact CD1-CD1 3.86Å; Y598-L609 HydrophobicContact CD1-CG 4.49Å; Y598-L609 HydrophobicContact CD2-CD1 4.25Å; Y598-L609 HydrophobicContact CE1-CB 3.86Å; Y598-L609 HydrophobicContact CE1-CD1 3.59Å; Y598-L609 HydrophobicContact CE1-CG 4.32Å; Y598-L609 HydrophobicContact CE2-CD1 4.04Å; Y598-L609 HydrophobicContact CG-CD1 4.17Å
610	I	83.1	Confident	76.3	Confident	65 Å²	65	71.2 Å²	71.2	33%	0.333	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-50.5	172.8	-57.1	177	0	0	0	109.6	I597 Y599 I622 L629	I597-I610 HydrophobicContact CG2-CD1 4.47Å; I597-I610 WeakPolarHBondContact O-CA 3.36Å; I597-I610 WeakPolarHBondContact O-CB 3.41Å; I597-I610 PolarHBondContact O-N 3.29Å; Y599-I610 HydrophobicContact CD1-CD1 4.07Å; Y599-I610 HydrophobicContact CD1-CG1 3.81Å; I610-I622 HydrophobicContact CD1-CG2 4.35Å; I610-I622 HydrophobicContact CG2-CG2 4.12Å; I610-L629 HydrophobicContact CD1-CD1 3.71Å
611	R	83.1	Confident	76.2	Confident	83 Å²	83	74.2 Å²	74.2	31%	0.313	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	146.7	-179.6	-167.5	167.4	179.1	-165.4	-2.5	110.5	I597 L613 E616	I597-R611 PolarHBondContact N-O 3.48Å; I597-R611 PolarHBondContact O-N 3.12Å; R611-L613 HydrophobicContact CG-CD2 3.79Å; R611-L613 HydrophobicContact CG-CG 4.1Å; R611-L613 VanDerWaalsContact CZ-CD2 3.47Å; R611-E616 IonicContact CZ-OE1 2.68Å; R611-E616 IonicContact CZ-OE2 2.95Å; R611-E616 IonicContact NE-OE1 2.98Å; R611-E616 IonicContact NH1-OE2 2.7Å; R611-E616 IonicContact NH2-OE1 2.67Å; R611-E616 PolarHBondContact NH2-OE1 2.88Å; R611-E616 IonicContact NH2-OE2 3.78Å; R611-E616 PolarHBondContact NH2-OE2 2.85Å
612	S	85.4	Confident	76.4	Confident	35 Å²	35	72.5 Å²	72.5	25%	0.245	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.3	163.1	-167.3	0	0	0	0	108.4	D596	D596-S612 WeakPolarHBondContact OD1-CB 3.4Å; D596-S612 PolarHBondContact OD1-OG 3.22Å
613	L	85.9	Confident	76.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.6	-171.1	-66.7	176.4	0	0	0	112.4	L575 V578 R594 L595 I597 R611 E616 I620 I622	L575-L613 HydrophobicContact CD1-CD1 3.43Å; L575-L613 VanDerWaalsContact CD1-CD1 3.43Å; V578-L613 HydrophobicContact CG1-CB 4.24Å; V578-L613 HydrophobicContact CG2-CB 4.49Å; V578-L613 HydrophobicContact CG2-CD1 4.35Å; R594-L613 CarbonylContact C-O 3.48Å; R594-L613 WeakPolarHBondContact CA-O 3.42Å; L595-L613 HydrophobicContact CB-CB 4.11Å; L595-L613 HydrophobicContact CD2-CB 4.43Å; L595-L613 HydrophobicContact CD2-CD1 4.21Å; L595-L613 PolarHBondContact N-O 2.83Å; L595-L613 PolarHBondContact O-N 3.46Å; I597-L613 HydrophobicContact CD1-CD1 3.81Å; R611-L613 HydrophobicContact CG-CD2 3.79Å; R611-L613 HydrophobicContact CG-CG 4.1Å; R611-L613 VanDerWaalsContact CZ-CD2 3.47Å; L613-E616 WeakPolarHBondContact CD2-OE1 3.43Å; L613-I620 HydrophobicContact CD1-CD1 4.15Å; L613-I620 HydrophobicContact CD1-CG2 4.47Å; L613-I620 HydrophobicContact CD2-CD1 3.7Å; L613-I622 HydrophobicContact CD1-CD1 4.41Å
614	C	82.4	Confident	77.3	Confident	7 Å²	7	63 Å²	63	5%	0.047	33%	0.331	C	S	.	.			trans	-167.4	148.3	177	53	0	0	0	0	107	L580 C590 E616	L580-C614 HydrophobicContact CB-CB 4.34Å; C590-C614 WeakPolarHBondContact CA-SG 3.39Å; C590-C614 HydrophobicContact CB-CB 3.61Å; C590-C614 WeakPolarHBondContact CB-SG 3.08Å; C590-C614 WeakPolarHBondContact SG-CB 3.35Å; C590-C614 PolarHBondContact SG-N 2.03Å; C590-C614 CovalentContact SG-SG 2.04Å; C590-C614 PolarHBondContact SG-SG 3.21Å; C614-E616 WeakPolarHBondContact O-CG 3.34Å; C614-E616 PolarHBondContact O-N 2.94Å
615	D	76	Confident	77.3	Confident	99 Å²	99	60.1 Å²	60.1	53%	0.529	32%	0.318	S	S	.	.	S	Bend	trans	50.6	53.2	174.5	-167.3	32	0	0	0	113.9	V578 A585	V578-D615 PolarHBondContact O-N 2.9Å; A585-D615 HydrophobicContact CB-CB 3.9Å
616	E	73	Confident	77.3	Confident	39 Å²	39	58.2 Å²	58.2	18%	0.182	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-124.3	94.6	177.9	-58.7	-151.4	-144.6	0	0	113	V578 R611 L613 C614 V618 I620	V578-E616 PolarHBondContact N-O 2.93Å; V578-E616 VanDerWaalsContact N-O 3.11Å; V578-E616 PolarHBondContact O-N 2.92Å; R611-E616 IonicContact CZ-OE1 2.68Å; R611-E616 IonicContact CZ-OE2 2.95Å; R611-E616 IonicContact NE-OE1 2.98Å; R611-E616 IonicContact NH1-OE2 2.7Å; R611-E616 IonicContact NH2-OE1 2.67Å; R611-E616 PolarHBondContact NH2-OE1 2.88Å; R611-E616 IonicContact NH2-OE2 3.78Å; R611-E616 PolarHBondContact NH2-OE2 2.85Å; L613-E616 WeakPolarHBondContact CD2-OE1 3.43Å; C614-E616 WeakPolarHBondContact O-CG 3.34Å; C614-E616 PolarHBondContact O-N 2.94Å; E616-V618 PolarHBondContact O-N 2.85Å; E616-I620 HydrophobicContact CB-CD1 3.76Å; E616-I620 HydrophobicContact CG-CD1 4.2Å; E616-I620 WeakPolarHBondContact OE2-CD1 3.38Å
617	D	61.4	Low	77.2	Confident	159 Å²	159	54.7 Å²	54.7	85%	0.85	28%	0.28	S	S	*	.			trans	-61.2	3.5	171.8	-88.3	-18.6	0	0	0	115.8
618	V	67.4	Low	77.2	Confident	88 Å²	88	51.5 Å²	51.5	53%	0.533	27%	0.266	S	S	.	.	S	Bend	trans	-121.7	145.7	-169.5	-67.6	0	0	0	0	111.8	E616 I620	E616-V618 PolarHBondContact O-N 2.85Å; V618-I620 HydrophobicContact CG2-CG1 4.5Å; V618-I620 WeakPolarHBondContact O-CG1 3.27Å; V618-I620 PolarHBondContact O-N 2.94Å
619	Q	72.9	Confident	77.2	Confident	136 Å²	136	49.7 Å²	49.7	64%	0.636	26%	0.258	S	S	*	.			trans	-62.8	128.4	175.5	-62.1	-169.9	-65.7	0	0	110.9	L575 D576	L575-Q619 CarbonylContact O-C 3.58Å; L575-Q619 WeakPolarHBondContact O-CA 3.38Å; D576-Q619 PolarHBondContact OD1-NE2 2.93Å
620	I	77.6	Confident	77	Confident	11 Å²	11	45.8 Å²	45.8	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.9	-177.1	-67.5	161.2	0	0	0	110.1	L575 L613 E616 V618 I622	L575-I620 HydrophobicContact CB-CB 4.16Å; L575-I620 HydrophobicContact CD1-CB 4.25Å; L575-I620 HydrophobicContact CD1-CG2 4.17Å; L575-I620 PolarHBondContact N-O 2.97Å; L575-I620 PolarHBondContact O-N 2.98Å; L613-I620 HydrophobicContact CD1-CD1 4.15Å; L613-I620 HydrophobicContact CD1-CG2 4.47Å; L613-I620 HydrophobicContact CD2-CD1 3.7Å; E616-I620 HydrophobicContact CB-CD1 3.76Å; E616-I620 HydrophobicContact CG-CD1 4.2Å; E616-I620 WeakPolarHBondContact OE2-CD1 3.38Å; V618-I620 HydrophobicContact CG2-CG1 4.5Å; V618-I620 WeakPolarHBondContact O-CG1 3.27Å; V618-I620 PolarHBondContact O-N 2.94Å; I620-I622 HydrophobicContact CG2-CD1 3.93Å; I620-I622 HydrophobicContact CG2-CG1 3.93Å
621	E	78.5	Confident	76.9	Confident	115 Å²	115	42.7 Å²	42.7	54%	0.537	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.5	177.6	-165.2	-172.4	142.6	0	0	110.2	H572 L574	H572-E621 VanDerWaalsContact NE2-CG 3.35Å; H572-E621 WeakPolarHBondContact NE2-CG 3.19Å; H572-E621 IonicContact NE2-OE1 2.66Å; L574-E621 HydrophobicContact CD2-CB 4.45Å; L574-E621 HydrophobicContact CD2-CG 4.16Å
622	I	78.3	Confident	76.7	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.062	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.5	176.2	-67	169.8	0	0	0	108.9	L573 L575 I597 I610 L613 I620 L629	L573-I622 WeakPolarHBondContact CA-O 3.33Å; L573-I622 HydrophobicContact CB-CB 4.42Å; L573-I622 WeakPolarHBondContact CB-O 2.98Å; L573-I622 PolarHBondContact N-O 2.85Å; L573-I622 PolarHBondContact O-N 3.21Å; L575-I622 HydrophobicContact CD1-CD1 4.35Å; I597-I622 HydrophobicContact CD1-CD1 3.61Å; I597-I622 HydrophobicContact CG2-CD1 4.41Å; I597-I622 HydrophobicContact CG2-CG2 4.29Å; I610-I622 HydrophobicContact CD1-CG2 4.35Å; I610-I622 HydrophobicContact CG2-CG2 4.12Å; L613-I622 HydrophobicContact CD1-CD1 4.41Å; I620-I622 HydrophobicContact CG2-CD1 3.93Å; I620-I622 HydrophobicContact CG2-CG1 3.93Å; I622-L629 HydrophobicContact CG2-CD1 4.44Å
623	V	77.4	Confident	76.2	Confident	13 Å²	13	39.1 Å²	39.1	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.5	173.2	-163.2	0	0	0	0	109.4	C570 V571 H572 D670	C570-V623 HydrophobicContact CB-CG1 4.28Å; V571-V623 WeakPolarHBondContact O-CA 3.41Å; H572-V623 HydrophobicContact CB-CG1 4.32Å; H572-V623 HydrophobicContact CB-CG2 4.37Å; V623-D670 HydrophobicContact CB-CB 4.41Å; V623-D670 HydrophobicContact CG1-CB 3.77Å
624	S	77.2	Confident	75.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.			trans	-68.7	132.8	-178.2	67.1	0	0	0	0	111.5	C570 V571 S626 N628	C570-S624 WeakPolarHBondContact CB-O 3.47Å; V571-S624 PolarHBondContact N-OG 2.89Å; V571-S624 PolarHBondContact O-N 3.17Å; S624-S626 WeakPolarHBondContact CB-O 3.38Å; S624-S626 PolarHBondContact O-N 2.81Å; S624-S626 PolarHBondContact OG-O 2.91Å; S624-N628 WeakPolarHBondContact CB-O 3.02Å
625	P	73.4	Confident	75.1	Confident	29 Å²	29	43 Å²	43	19%	0.188	22%	0.222	C	C	.	.	S	Bend	trans	-75.8	9.7	177.7	33.2	-36.9	0	0	0	113.2	Y599	Y599-P625 HydrophobicContact CD1-CG 3.39Å; Y599-P625 HydrophobicContact CD2-CG 3.91Å; Y599-P625 HydrophobicContact CE1-CG 3.62Å; Y599-P625 HydrophobicContact CE2-CG 4.15Å; Y599-P625 HydrophobicContact CG-CG 3.55Å
626	S	73	Confident	74.7	Confident	15 Å²	15	40.4 Å²	40.4	11%	0.105	21%	0.208	C	C	.	.	S	Bend	trans	-151.2	178.3	-178.8	81.3	0	0	0	0	110	S624 N628	S624-S626 WeakPolarHBondContact CB-O 3.38Å; S624-S626 PolarHBondContact O-N 2.81Å; S624-S626 PolarHBondContact OG-O 2.91Å; S626-N628 PolarHBondContact O-N 3.07Å; S626-N628 VanDerWaalsContact O-N 3.12Å; S626-N628 PolarHBondContact OG-N 2.91Å; S626-N628 VanDerWaalsContact OG-N 3.13Å; S626-N628 PolarHBondContact OG-ND2 3.39Å; S626-N628 PolarHBondContact OG-O 2.93Å; S626-N628 VanDerWaalsContact OG-O 3.07Å
627	N	74.9	Confident	74.3	Confident	36 Å²	36	47 Å²	47	19%	0.193	24%	0.238	C	C	.	.	S	Bend	trans	-74.8	12	173.8	77.8	-59.2	0	0	0	114.3	T564 V565 S566 S569	T564-N627 WeakPolarHBondContact CA-O 3.26Å; V565-N627 HydrophobicContact CG2-CB 4.05Å; V565-N627 WeakPolarHBondContact CG2-O 3.25Å; V565-N627 PolarHBondContact N-O 2.88Å; V565-N627 PolarHBondContact O-ND2 2.88Å; S566-N627 WeakPolarHBondContact O-CB 3.35Å; S569-N627 WeakPolarHBondContact O-CA 3.43Å; S569-N627 WeakPolarHBondContact O-CB 3.03Å
628	N	77.8	Confident	74.2	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.043	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.1	173.6	74.7	85.6	0	0	0	112.7	F563 L600 S624 S626	F563-N628 CarbonylContact O-C 3.58Å; F563-N628 WeakPolarHBondContact O-CA 3.48Å; F563-N628 WeakPolarHBondContact O-CB 3.15Å; L600-N628 WeakPolarHBondContact CB-OD1 3.19Å; L600-N628 PolarHBondContact N-OD1 3.37Å; L600-N628 PolarHBondContact O-ND2 2.87Å; S624-N628 WeakPolarHBondContact CB-O 3.02Å; S626-N628 PolarHBondContact O-N 3.07Å; S626-N628 VanDerWaalsContact O-N 3.12Å; S626-N628 PolarHBondContact OG-N 2.91Å; S626-N628 VanDerWaalsContact OG-N 3.13Å; S626-N628 PolarHBondContact OG-ND2 3.39Å; S626-N628 PolarHBondContact OG-O 2.93Å; S626-N628 VanDerWaalsContact OG-O 3.07Å
629	L	79.3	Confident	73.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.8	175.1	-171.9	76.1	0	0	0	107.8	F563 V571 L573 I597 Y598 I610 I622 I631	F563-L629 HydrophobicContact CB-CB 4.3Å; F563-L629 HydrophobicContact CD2-CB 4.39Å; F563-L629 HydrophobicContact CD2-CD2 4.48Å; F563-L629 PolarHBondContact N-O 3.11Å; F563-L629 PolarHBondContact O-N 2.9Å; V571-L629 HydrophobicContact CB-CB 4.1Å; V571-L629 HydrophobicContact CB-CD2 4.36Å; V571-L629 HydrophobicContact CG1-CB 4.32Å; V571-L629 HydrophobicContact CG1-CD2 3.91Å; V571-L629 HydrophobicContact CG2-CB 4.36Å; L573-L629 HydrophobicContact CB-CD2 4.04Å; L573-L629 HydrophobicContact CD2-CD2 4.27Å; I597-L629 HydrophobicContact CG2-CD1 3.82Å; I597-L629 HydrophobicContact CG2-CG 4.31Å; Y598-L629 WeakPolarHBondContact O-CD1 3.08Å; I610-L629 HydrophobicContact CD1-CD1 3.71Å; I622-L629 HydrophobicContact CG2-CD1 4.44Å; L629-I631 HydrophobicContact CD2-CG1 4.47Å
630	I	80	Confident	72.4	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.056	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.7	172.5	-57.8	172.5	0	0	0	108.6	S560 W561 N562 I597 Y598 L600 D632	S560-I630 WeakPolarHBondContact OG-CG2 3.04Å; W561-I630 WeakPolarHBondContact O-CA 3.18Å; N562-I630 HydrophobicContact CB-CG1 4.22Å; I597-I630 CarbonylContact C-O 3.55Å; I597-I630 WeakPolarHBondContact CA-O 3.33Å; Y598-I630 PolarHBondContact N-O 3.49Å; Y598-I630 PolarHBondContact O-N 3.01Å; L600-I630 HydrophobicContact CD1-CD1 3.93Å; L600-I630 HydrophobicContact CD2-CD1 3.97Å; L600-I630 HydrophobicContact CG-CD1 3.73Å; I630-D632 VanDerWaalsContact CG2-OD1 3.3Å; I630-D632 WeakPolarHBondContact CG2-OD1 3.21Å
631	I	80.3	Confident	71.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	107.2	173.3	-58.2	179.4	0	0	0	106.8	L546 S560 W561 F563 L573 L595 I597 L629 F646	L546-I631 HydrophobicContact CD1-CD1 4.49Å; S560-I631 CarbonylContact C-O 3.49Å; S560-I631 VanDerWaalsContact CA-O 3.27Å; S560-I631 WeakPolarHBondContact CA-O 3.44Å; W561-I631 HydrophobicContact CE3-CB 4.29Å; W561-I631 HydrophobicContact CE3-CG2 4.06Å; W561-I631 HydrophobicContact CZ3-CG2 4.43Å; W561-I631 PolarHBondContact N-O 3.3Å; W561-I631 PolarHBondContact O-N 2.89Å; F563-I631 HydrophobicContact CE2-CD1 3.63Å; F563-I631 HydrophobicContact CE2-CG1 3.92Å; F563-I631 HydrophobicContact CZ-CD1 4.16Å; L573-I631 HydrophobicContact CD1-CD1 3.82Å; L573-I631 HydrophobicContact CD2-CD1 3.61Å; L573-I631 HydrophobicContact CD2-CG1 4.38Å; L573-I631 HydrophobicContact CG-CD1 4.38Å; L595-I631 HydrophobicContact CD1-CG2 3.35Å; L595-I631 HydrophobicContact CG-CG2 4.16Å; I597-I631 HydrophobicContact CG1-CG1 4.29Å; I597-I631 HydrophobicContact CG1-CG2 4.3Å; I597-I631 HydrophobicContact CG2-CG1 4.46Å; L629-I631 HydrophobicContact CD2-CG1 4.47Å; I631-F646 HydrophobicContact CG2-CE2 4.47Å
632	D	78.6	Confident	70.2	Confident	37 Å²	37	46.2 Å²	46.2	20%	0.198	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	146.7	165.6	-60.9	-3.6	0	0	0	108.9	C559 S560 L595 D596 Y598 K607 I630	C559-D632 CarbonylContact O-C 3.55Å; C559-D632 VanDerWaalsContact O-CA 3.3Å; C559-D632 WeakPolarHBondContact O-CA 3.31Å; S560-D632 WeakPolarHBondContact CB-OD1 3.19Å; S560-D632 PolarHBondContact OG-OD1 2.73Å; L595-D632 CarbonylContact C-O 3.5Å; L595-D632 WeakPolarHBondContact CA-O 3.45Å; D596-D632 HydrophobicContact CB-CB 4.3Å; D596-D632 PolarHBondContact N-O 2.81Å; D596-D632 PolarHBondContact O-N 2.7Å; Y598-D632 HydrophobicContact CE2-CB 4Å; Y598-D632 WeakPolarHBondContact CE2-OD2 3.12Å; K607-D632 IonicContact NZ-OD1 2.68Å; K607-D632 PolarHBondContact NZ-OD1 3.4Å; K607-D632 IonicContact NZ-OD2 3.42Å; K607-D632 PolarHBondContact NZ-OD2 2.8Å; I630-D632 VanDerWaalsContact CG2-OD1 3.3Å; I630-D632 WeakPolarHBondContact CG2-OD1 3.21Å
633	Y	75.1	Confident	69.4	Low	7 Å²	7	47.6 Å²	47.6	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135	-178.5	172.3	-105.4	0	0	0	109.1	V553 A557 S558 C559 W561 L580 L595 T635 F646	V553-Y633 WeakPolarHBondContact CG1-OH 3.47Å; A557-Y633 HydrophobicContact CB-CE1 4.44Å; S558-Y633 CarbonylContact C-O 3.6Å; S558-Y633 VanDerWaalsContact CA-O 3.29Å; S558-Y633 WeakPolarHBondContact CA-O 3.47Å; C559-Y633 HydrophobicContact CB-CD1 4.25Å; C559-Y633 PolarHBondContact N-O 2.87Å; C559-Y633 PolarHBondContact O-N 3.32Å; W561-Y633 HydrophobicContact CH2-CD1 4.39Å; W561-Y633 HydrophobicContact CH2-CG 4.46Å; W561-Y633 HydrophobicContact CZ3-CG 4.31Å; L580-Y633 HydrophobicContact CD1-CD2 4.23Å; L580-Y633 HydrophobicContact CD1-CE2 3.76Å; L580-Y633 HydrophobicContact CD2-CE2 3.42Å; L580-Y633 VanDerWaalsContact CD2-CE2 3.42Å; L580-Y633 VanDerWaalsContact CD2-OH 3.32Å; L580-Y633 WeakPolarHBondContact CD2-OH 3.34Å; L580-Y633 HydrophobicContact CG-CE2 4.21Å; L595-Y633 HydrophobicContact CB-CD2 4.33Å; L595-Y633 HydrophobicContact CD1-CD2 3.79Å; L595-Y633 HydrophobicContact CD1-CG 4.37Å; Y633-T635 HydrophobicContact CE1-CG2 3.89Å; Y633-T635 HydrophobicContact CE2-CG2 4.38Å; Y633-T635 WeakPolarHBondContact OH-CG2 3.08Å; Y633-F646 AromaticContact CD2-CD1 3.94Å; Y633-F646 HydrophobicContact CD2-CD1 3.94Å; Y633-F646 AromaticContact CD2-CE1 3.71Å; Y633-F646 HydrophobicContact CD2-CE1 3.71Å; Y633-F646 AromaticContact CE2-CD1 3.73Å; Y633-F646 HydrophobicContact CE2-CD1 3.73Å; Y633-F646 AromaticContact CE2-CE1 3.88Å; Y633-F646 HydrophobicContact CE2-CE1 3.88Å; Y633-F646 HydrophobicContact CG-CE1 4.04Å
634	K	74.7	Confident	68.6	Low	83 Å²	83	50.8 Å²	50.8	36%	0.361	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	124.4	-176.3	-167.5	-165.7	172.5	-137.7	0	111.4	A557 E593 R594	A557-K634 WeakPolarHBondContact O-CA 3.31Å; E593-K634 CarbonylContact C-O 3.53Å; E593-K634 VanDerWaalsContact CA-O 3.29Å; E593-K634 WeakPolarHBondContact CA-O 3.15Å; R594-K634 PolarHBondContact N-O 2.88Å; R594-K634 PolarHBondContact O-N 3.04Å
635	T	70.9	Confident	68	Low	4 Å²	4	50.8 Å²	50.8	3%	0.025	26%	0.256	C	S	.	.			trans	-111.2	175.3	169	53.7	0	0	0	0	111	V553 N554 G556 A557 L580 E593 Y633	V553-T635 HydrophobicContact CG1-CG2 3.78Å; N554-T635 PolarHBondContact O-OG1 2.71Å; G556-T635 PolarHBondContact N-OG1 2.9Å; A557-T635 WeakPolarHBondContact CB-OG1 3.41Å; A557-T635 PolarHBondContact N-OG1 3.27Å; A557-T635 PolarHBondContact O-N 3.4Å; A557-T635 PolarHBondContact O-OG1 3.31Å; L580-T635 HydrophobicContact CD2-CG2 4.3Å; E593-T635 HydrophobicContact CG-CG2 4.47Å; E593-T635 VanDerWaalsContact OE1-CA 3.32Å; E593-T635 WeakPolarHBondContact OE1-CA 3.41Å; E593-T635 WeakPolarHBondContact OE1-CB 3.26Å; E593-T635 WeakPolarHBondContact OE1-CG2 3.46Å; Y633-T635 HydrophobicContact CE1-CG2 3.89Å; Y633-T635 HydrophobicContact CE2-CG2 4.38Å; Y633-T635 WeakPolarHBondContact OH-CG2 3.08Å
636	I	67.4	Low	67.7	Low	46 Å²	46	49.4 Å²	49.4	24%	0.236	25%	0.247	C	C	.	.			trans	-115.9	162.4	171.8	50.7	155.3	0	0	0	111.7	K555 G556 P592 E593 D638	K555-I636 CarbonylContact C-O 3.57Å; K555-I636 WeakPolarHBondContact CA-O 3.45Å; G556-I636 PolarHBondContact N-O 3.08Å; P592-I636 HydrophobicContact CB-CB 4.49Å; P592-I636 HydrophobicContact CB-CD1 3.64Å; P592-I636 HydrophobicContact CB-CG1 3.92Å; P592-I636 HydrophobicContact CB-CG2 3.8Å; P592-I636 HydrophobicContact CG-CD1 3.47Å; P592-I636 VanDerWaalsContact CG-CD1 3.47Å; P592-I636 HydrophobicContact CG-CG1 3.94Å; E593-I636 HydrophobicContact CG-CG1 3.97Å; E593-I636 PolarHBondContact OE1-N 3.25Å; I636-D638 HydrophobicContact CD1-CB 3.85Å; I636-D638 WeakPolarHBondContact CD1-OD2 3.4Å; I636-D638 HydrophobicContact CG1-CB 4.09Å; I636-D638 PolarHBondContact O-N 2.95Å; I636-D638 VanDerWaalsContact O-N 3.17Å
637	E	63.8	Low	67.3	Low	176 Å²	176	50.6 Å²	50.6	82%	0.822	25%	0.252	S	S	*	.			trans	-77.9	90.8	165.1	-66	-175.3	169.1	0	0	108
638	D	60.8	Low	66.7	Low	40 Å²	40	49 Å²	49	21%	0.214	24%	0.244	C	C	.	.			trans	-111.7	139.6	178.8	-158.3	-54.2	0	0	0	110.5	K555 K581 I636 D640	K555-D638 VanDerWaalsContact CD-O 3.25Å; K555-D638 WeakPolarHBondContact CD-O 3.47Å; K555-D638 WeakPolarHBondContact CE-O 3.1Å; K555-D638 PolarHBondContact NZ-O 3.45Å; K581-D638 WeakPolarHBondContact CD-OD2 3.41Å; K581-D638 WeakPolarHBondContact CE-OD2 3.06Å; K581-D638 IonicContact NZ-OD1 2.67Å; K581-D638 PolarHBondContact NZ-OD1 3.13Å; K581-D638 IonicContact NZ-OD2 3.79Å; K581-D638 PolarHBondContact NZ-OD2 3.45Å; I636-D638 HydrophobicContact CD1-CB 3.85Å; I636-D638 WeakPolarHBondContact CD1-OD2 3.4Å; I636-D638 HydrophobicContact CG1-CB 4.09Å; I636-D638 PolarHBondContact O-N 2.95Å; I636-D638 VanDerWaalsContact O-N 3.17Å; D638-D640 PolarHBondContact OD1-N 3.45Å
639	A	47.7	Very low	66.1	Low	73 Å²	73	53.3 Å²	53.3	60%	0.603	26%	0.259	S	S	*	.	S	Bend	trans	-67.6	-40.6	176.3	0	0	0	0	0	111.3	K555	K555-A639 PolarHBondContact NZ-O 2.98Å
640	D	54	Low	65.6	Low	73 Å²	73	54.3 Å²	54.3	39%	0.39	26%	0.263	S	S	.	.	S	Bend	trans	-108.2	134.5	-158.9	-67.1	-41.3	0	0	0	113.5	K581 D638	K581-D640 PolarHBondContact NZ-O 2.8Å; D638-D640 PolarHBondContact OD1-N 3.45Å
641	Y	53	Low	64.9	Low	171 Å²	171	56.5 Å²	56.5	67%	0.671	27%	0.273	S	S	*	.			trans	69.3	155.9	-173.2	-63.3	-89.1	0	0	0	115.4	K555	K555-Y641 WeakPolarHBondContact CE-O 3.4Å; K555-Y641 PolarHBondContact NZ-O 3.5Å
642	E	56	Low	64.5	Low	136 Å²	136	59.7 Å²	59.7	64%	0.636	29%	0.29	S	S	*	.			trans	-125	105.8	176.9	-72.6	-171.2	156.1	0	0	107.4	P552	P552-E642 HydrophobicContact CB-CB 3.71Å; P552-E642 HydrophobicContact CB-CG 3.78Å; P552-E642 WeakPolarHBondContact CB-OE2 3.45Å
643	H	62.3	Low	63.8	Low	42 Å²	42	59.2 Å²	59.2	19%	0.194	29%	0.287	C	S	.	.			trans	-82.9	148.3	177.6	-68.4	-82.5	0	0	0	110.7	V553 D579 K581 G645	V553-H643 VanDerWaalsContact CG2-O 3.24Å; V553-H643 WeakPolarHBondContact CG2-O 2.99Å; V553-H643 PolarHBondContact N-O 3.16Å; D579-H643 IonicContact OD1-CE1 3.33Å; D579-H643 IonicContact OD1-CG 3.54Å; D579-H643 IonicContact OD1-ND1 3.12Å; D579-H643 PolarHBondContact OD1-ND1 3.13Å; D579-H643 WeakPolarHBondContact OD2-CA 3.21Å; D579-H643 IonicContact OD2-ND1 2.7Å; K581-H643 WeakPolarHBondContact CB-NE2 3.45Å; H643-G645 PolarHBondContact O-N 3.18Å
644	L	59.6	Low	63.5	Low	80 Å²	80	63.5 Å²	63.5	42%	0.419	31%	0.31	S	S	.	.			trans	-76	-6.7	-178.9	-63.2	175.1	0	0	0	113.7	P549 F577 D579	P549-L644 HydrophobicContact CB-CD2 4.47Å; F577-L644 HydrophobicContact CE2-CB 3.9Å; F577-L644 HydrophobicContact CZ-CB 4.41Å; D579-L644 HydrophobicContact CB-CB 4.2Å; D579-L644 WeakPolarHBondContact OD2-CB 3.42Å; D579-L644 PolarHBondContact OD2-N 3.16Å
645	G	66.6	Low	63.1	Low	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75	-130.2	179.3	0	0	0	0	0	111.7	D579 H643	D579-G645 PolarHBondContact N-O 2.91Å; D579-G645 WeakPolarHBondContact O-CA 3.33Å; D579-G645 PolarHBondContact O-N 3.01Å; D579-G645 VanDerWaalsContact O-O 3.13Å; H643-G645 PolarHBondContact O-N 3.18Å
646	F	66.8	Low	63.1	Low	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.8	-178.5	73.4	-69.8	0	0	0	113.6	L546 D547 W561 L575 F577 V578 L595 I631 Y633 A648	L546-F646 HydrophobicContact CB-CE1 4.24Å; L546-F646 HydrophobicContact CB-CE2 3.88Å; L546-F646 HydrophobicContact CB-CZ 3.65Å; L546-F646 HydrophobicContact CD1-CE2 3.46Å; L546-F646 VanDerWaalsContact CD1-CE2 3.46Å; L546-F646 HydrophobicContact CD1-CZ 3.64Å; L546-F646 HydrophobicContact CG-CE2 4.29Å; L546-F646 HydrophobicContact CG-CZ 4.25Å; D547-F646 PolarHBondContact N-O 3.47Å; W561-F646 HydrophobicContact CE3-CZ 4.26Å; W561-F646 HydrophobicContact CH2-CE1 4Å; W561-F646 AromaticContact CH2-CZ 3.87Å; W561-F646 HydrophobicContact CH2-CZ 3.87Å; W561-F646 AromaticContact CZ3-CE1 3.97Å; W561-F646 HydrophobicContact CZ3-CE1 3.97Å; W561-F646 AromaticContact CZ3-CZ 3.5Å; W561-F646 HydrophobicContact CZ3-CZ 3.5Å; L575-F646 HydrophobicContact CD2-CD2 3.71Å; L575-F646 HydrophobicContact CD2-CE2 4.35Å; F577-F646 WeakPolarHBondContact O-CA 3.37Å; F577-F646 WeakPolarHBondContact O-CB 3.24Å; V578-F646 HydrophobicContact CB-CB 4.42Å; V578-F646 HydrophobicContact CG1-CB 4.34Å; V578-F646 HydrophobicContact CG2-CB 4.12Å; L595-F646 HydrophobicContact CD1-CD1 4.15Å; L595-F646 HydrophobicContact CD1-CD2 3.96Å; L595-F646 HydrophobicContact CD1-CE1 3.85Å; L595-F646 HydrophobicContact CD1-CE2 3.6Å; L595-F646 HydrophobicContact CD1-CG 4.22Å; L595-F646 HydrophobicContact CD1-CZ 3.56Å; L595-F646 HydrophobicContact CD2-CB 4.35Å; L595-F646 HydrophobicContact CD2-CD2 3.62Å; L595-F646 HydrophobicContact CD2-CE2 4.02Å; L595-F646 HydrophobicContact CD2-CG 3.96Å; L595-F646 HydrophobicContact CG-CD2 4.48Å; L595-F646 HydrophobicContact CG-CE2 4.49Å; I631-F646 HydrophobicContact CG2-CE2 4.47Å; Y633-F646 AromaticContact CD2-CD1 3.94Å; Y633-F646 HydrophobicContact CD2-CD1 3.94Å; Y633-F646 AromaticContact CD2-CE1 3.71Å; Y633-F646 HydrophobicContact CD2-CE1 3.71Å; Y633-F646 AromaticContact CE2-CD1 3.73Å; Y633-F646 HydrophobicContact CE2-CD1 3.73Å; Y633-F646 AromaticContact CE2-CE1 3.88Å; Y633-F646 HydrophobicContact CE2-CE1 3.88Å; Y633-F646 HydrophobicContact CG-CE1 4.04Å; F646-A648 HydrophobicContact CD2-CB 4.33Å; F646-A648 HydrophobicContact CE2-CB 4.3Å
647	L	64	Low	63.1	Low	39 Å²	39	61.2 Å²	61.2	20%	0.204	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.1	171.8	177.3	60.1	0	0	0	109.7	I545 L575 D576 F577	I545-L647 HydrophobicContact CB-CD1 4.23Å; I545-L647 HydrophobicContact CG1-CD1 3.99Å; I545-L647 HydrophobicContact CG2-CD1 3.92Å; L575-L647 WeakPolarHBondContact CA-O 3.3Å; D576-L647 HydrophobicContact CB-CB 4.13Å; D576-L647 HydrophobicContact CB-CD2 3.86Å; D576-L647 HydrophobicContact CB-CG 3.94Å; D576-L647 PolarHBondContact N-O 2.04Å; F577-L647 HydrophobicContact CD1-CB 3.75Å; F577-L647 HydrophobicContact CE1-CB 3.33Å; F577-L647 HydrophobicContact CE1-CD2 4.1Å; F577-L647 HydrophobicContact CE1-CG 4.37Å; F577-L647 HydrophobicContact CZ-CB 3.82Å; F577-L647 PolarHBondContact O-N 2.86Å
648	A	62.5	Low	63.2	Low	2 Å²	2	56.7 Å²	56.7	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	158.4	176.1	0	0	0	0	0	111.8	V544 L546 L573 L574 L575 F646	V544-A648 CarbonylContact C-O 3.59Å; L546-A648 HydrophobicContact CD1-CB 3.91Å; L546-A648 HydrophobicContact CG-CB 4.49Å; L573-A648 HydrophobicContact CD1-CB 4.16Å; L574-A648 CarbonylContact O-C 3.58Å; L574-A648 WeakPolarHBondContact O-CA 3.29Å; L575-A648 HydrophobicContact CD2-CB 3.84Å; F646-A648 HydrophobicContact CD2-CB 4.33Å; F646-A648 HydrophobicContact CE2-CB 4.3Å
649	R	64.7	Low	63.1	Low	99 Å²	99	59.5 Å²	59.5	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.9	170.5	-64.7	-175.9	-81.5	162.6	-3.9	108.3	T543 L574 D576	T543-R649 HydrophobicContact CG2-CG 4.17Å; L574-R649 PolarHBondContact N-O 2.96Å; L574-R649 PolarHBondContact O-N 3.4Å; D576-R649 IonicContact OD1-CZ 3.35Å; D576-R649 IonicContact OD1-NE 3.61Å; D576-R649 IonicContact OD1-NH2 3.66Å; D576-R649 PolarHBondContact OD1-NH2 2.99Å; D576-R649 IonicContact OD2-CZ 3.8Å; D576-R649 IonicContact OD2-NE 3.68Å; D576-R649 PolarHBondContact OD2-NE 3.07Å; D576-R649 IonicContact OD2-NH2 3.64Å; D576-R649 PolarHBondContact OD2-NH2 3.33Å
650	Y	67.9	Low	63.8	Low	22 Å²	22	64.1 Å²	64.1	9%	0.086	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.4	175.2	79.5	-93.4	0	0	0	114.2	V542 V544 F563 V571 H572 I652	V542-Y650 CarbonylContact C-O 3.42Å; V542-Y650 HydrophobicContact CB-CD1 4.19Å; V542-Y650 HydrophobicContact CB-CD2 4.29Å; V542-Y650 HydrophobicContact CB-CE1 3.75Å; V542-Y650 HydrophobicContact CB-CE2 3.84Å; V542-Y650 HydrophobicContact CB-CG 4.44Å; V542-Y650 HydrophobicContact CG1-CE1 3.83Å; V542-Y650 HydrophobicContact CG2-CD2 4.48Å; V542-Y650 HydrophobicContact CG2-CE2 3.8Å; V542-Y650 PolarHBondContact N-O 3.09Å; V542-Y650 PolarHBondContact O-N 2.9Å; V542-Y650 VanDerWaalsContact O-O 3.05Å; V544-Y650 HydrophobicContact CB-CE1 4.35Å; V544-Y650 HydrophobicContact CG2-CD1 4.22Å; V544-Y650 HydrophobicContact CG2-CE1 3.63Å; F563-Y650 HydrophobicContact CD1-CD1 4.15Å; F563-Y650 AromaticContact CD1-CE1 3.98Å; F563-Y650 HydrophobicContact CD1-CE1 3.98Å; F563-Y650 AromaticContact CE1-CD1 3.67Å; F563-Y650 HydrophobicContact CE1-CD1 3.67Å; F563-Y650 AromaticContact CE1-CE1 3.63Å; F563-Y650 HydrophobicContact CE1-CE1 3.63Å; F563-Y650 HydrophobicContact CE1-CG 4.36Å; V571-Y650 HydrophobicContact CG1-CD2 4.35Å; H572-Y650 CarbonylContact O-C 3.5Å; H572-Y650 VanDerWaalsContact O-CA 3.24Å; H572-Y650 WeakPolarHBondContact O-CA 3.5Å; Y650-I652 HydrophobicContact CE2-CG1 4.32Å
651	Q	66.9	Low	64.6	Low	56 Å²	56	63.6 Å²	63.6	26%	0.262	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.8	173.1	-56.3	-174.2	26.7	0	0	108.6	H572	H572-Q651 HydrophobicContact CB-CB 4.39Å; H572-Q651 PolarHBondContact N-O 2.91Å; H572-Q651 PolarHBondContact O-N 3.47Å
652	I	70.4	Confident	65.5	Low	67 Å²	67	56.6 Å²	56.6	34%	0.344	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.9	172.4	-54.9	178.5	0	0	0	106.2	V565 Y650	V565-I652 HydrophobicContact CB-CG2 4.37Å; V565-I652 HydrophobicContact CG1-CD1 3.95Å; V565-I652 HydrophobicContact CG1-CG1 4.01Å; V565-I652 HydrophobicContact CG1-CG2 4.15Å; Y650-I652 HydrophobicContact CE2-CG1 4.32Å
653	D	64.5	Low	66.4	Low	28 Å²	28	52.8 Å²	52.8	15%	0.15	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	166	176.1	-147.1	-17.6	0	0	0	110.4	S569 C570 F672	S569-D653 CarbonylContact C-O 3.6Å; S569-D653 VanDerWaalsContact CA-O 3.22Å; S569-D653 WeakPolarHBondContact CA-O 3.48Å; S569-D653 VanDerWaalsContact CB-O 3.28Å; S569-D653 WeakPolarHBondContact CB-O 3.07Å; C570-D653 PolarHBondContact N-O 2.98Å; C570-D653 PolarHBondContact O-N 3.21Å; D653-F672 WeakPolarHBondContact OD2-CD2 3.05Å
654	I	69.5	Low	67.1	Low	97 Å²	97	53.6 Å²	53.6	50%	0.497	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.5	178.8	-61.1	173.9	0	0	0	108.3	D656	I654-D656 PolarHBondContact O-N 3.33Å
655	N	66.3	Low	67.8	Low	33 Å²	33	52.6 Å²	52.6	18%	0.176	31%	0.313	C	S	.	.			trans	-70.5	95.7	179.2	-171	-26.2	0	0	0	110.5	D568 C657 D670	D568-N655 WeakPolarHBondContact O-CB 3.42Å; D568-N655 PolarHBondContact O-N 3.03Å; N655-C657 PolarHBondContact O-N 2.83Å; N655-C657 WeakPolarHBondContact OD1-CA 3.35Å; N655-C657 WeakPolarHBondContact OD1-CB 3.32Å; N655-C657 PolarHBondContact OD1-N 3.16Å; N655-D670 VanDerWaalsContact CA-OD2 3.25Å; N655-D670 WeakPolarHBondContact CA-OD2 3.29Å
656	D	71.3	Confident	68.2	Low	29 Å²	29	53.6 Å²	53.6	16%	0.155	32%	0.319	C	S	.	.			trans	-73.9	-17	178.5	-117.1	-70.2	0	0	0	111.6	I654 T658 K661 D670 S674 S675	I654-D656 PolarHBondContact O-N 3.33Å; D656-T658 PolarHBondContact O-N 3.47Å; D656-K661 WeakPolarHBondContact O-CD 3.31Å; D656-K661 VanDerWaalsContact O-CE 3.24Å; D656-K661 WeakPolarHBondContact O-CE 3.37Å; D656-K661 PolarHBondContact O-NZ 2.77Å; D656-K661 IonicContact OD1-NZ 3.41Å; D656-K661 PolarHBondContact OD1-NZ 3.16Å; D656-D670 PolarHBondContact N-OD2 3.28Å; D656-S674 WeakPolarHBondContact OD2-CA 3.41Å; D656-S674 WeakPolarHBondContact OD2-CB 3.2Å; D656-S675 PolarHBondContact OD2-N 3.22Å
657	C	67.1	Low	68.4	Low	22 Å²	22	55.2 Å²	55.2	15%	0.149	33%	0.329	C	S	.	.			trans	-79.6	57.9	178.7	-77.6	0	0	0	0	114	N655 C668 V669	N655-C657 PolarHBondContact O-N 2.83Å; N655-C657 WeakPolarHBondContact OD1-CA 3.35Å; N655-C657 WeakPolarHBondContact OD1-CB 3.32Å; N655-C657 PolarHBondContact OD1-N 3.16Å; C657-C668 WeakPolarHBondContact CA-SG 3.27Å; C657-C668 HydrophobicContact CB-CB 3.62Å; C657-C668 WeakPolarHBondContact CB-SG 3.5Å; C657-C668 WeakPolarHBondContact SG-CB 3.37Å; C657-C668 PolarHBondContact SG-O 3.01Å; C657-C668 CovalentContact SG-SG 2.04Å; C657-C668 PolarHBondContact SG-SG 2.96Å; C657-V669 PolarHBondContact SG-N 3.37Å
658	T	66.2	Low	68.8	Low	81 Å²	81	54.2 Å²	54.2	50%	0.497	33%	0.325	S	S	.	.			trans	-56.2	142.6	165.7	63.4	0	0	0	0	111.1	D656 K661	D656-T658 PolarHBondContact O-N 3.47Å; T658-K661 WeakPolarHBondContact O-CB 3.37Å; T658-K661 PolarHBondContact O-N 3.2Å; T658-K661 WeakPolarHBondContact OG1-CD 3.47Å; T658-K661 WeakPolarHBondContact OG1-CE 3.22Å; T658-K661 WeakPolarHBondContact OG1-CG 3.04Å
659	A	57.8	Low	69.1	Low	100 Å²	100	55.3 Å²	55.3	83%	0.826	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	146.8	176.4	0	0	0	0	0	112.9	K661	A659-K661 VanDerWaalsContact C-N 3.3Å; A659-K661 PolarHBondContact O-N 2.03Å
660	D	62.4	Low	69.1	Low	169 Å²	169	50.7 Å²	50.7	90%	0.904	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	5.2	-179.7	-129.4	19.3	0	0	0	116.7
661	K	71.2	Confident	68.9	Low	63 Å²	63	50.5 Å²	50.5	27%	0.274	32%	0.317	S	S	.	.	S	Bend	trans	-70.4	-23.7	173.6	-91.8	-176.1	173.8	-168.8	0	115.4	D656 T658 A659 Y676	D656-K661 WeakPolarHBondContact O-CD 3.31Å; D656-K661 VanDerWaalsContact O-CE 3.24Å; D656-K661 WeakPolarHBondContact O-CE 3.37Å; D656-K661 PolarHBondContact O-NZ 2.77Å; D656-K661 IonicContact OD1-NZ 3.41Å; D656-K661 PolarHBondContact OD1-NZ 3.16Å; T658-K661 WeakPolarHBondContact O-CB 3.37Å; T658-K661 PolarHBondContact O-N 3.2Å; T658-K661 WeakPolarHBondContact OG1-CD 3.47Å; T658-K661 WeakPolarHBondContact OG1-CE 3.22Å; T658-K661 WeakPolarHBondContact OG1-CG 3.04Å; A659-K661 VanDerWaalsContact C-N 3.3Å; A659-K661 PolarHBondContact O-N 2.03Å; K661-Y676 HydrophobicContact CB-CD2 4.35Å; K661-Y676 HydrophobicContact CB-CE2 3.82Å; K661-Y676 HydrophobicContact CD-CD1 3.92Å; K661-Y676 HydrophobicContact CD-CD2 4.21Å; K661-Y676 HydrophobicContact CD-CE1 3.72Å; K661-Y676 HydrophobicContact CD-CE2 4.02Å; K661-Y676 HydrophobicContact CD-CG 4.17Å; K661-Y676 HydrophobicContact CG-CE1 4.4Å; K661-Y676 HydrophobicContact CG-CE2 4.18Å
662	C	72.5	Confident	68.4	Low	23 Å²	23	52 Å²	52	16%	0.155	32%	0.323	C	S	.	.	S	Bend	trans	-132.9	130.6	-178.6	-68.9	0	0	0	0	110.2	T666 C668 C678	C662-T666 WeakPolarHBondContact CB-OG1 3.44Å; C662-C668 HydrophobicContact CB-CB 4.07Å; C662-C668 VanDerWaalsContact SG-CA 3.57Å; C662-C668 VanDerWaalsContact SG-CB 3.55Å; C662-C678 HydrophobicContact CB-CB 3.86Å; C662-C678 WeakPolarHBondContact CB-SG 3.02Å; C662-C678 WeakPolarHBondContact SG-CA 3.02Å; C662-C678 WeakPolarHBondContact SG-CB 3.42Å; C662-C678 CovalentContact SG-SG 2.04Å; C662-C678 PolarHBondContact SG-SG 2.95Å
663	G	74.1	Confident	67.9	Low	56 Å²	56	54.8 Å²	54.8	58%	0.577	34%	0.338	S	S	*	.			trans	-105.6	152.8	-168.6	0	0	0	0	0	115.6	N665 T666	G663-N665 PolarHBondContact O-N 3.18Å; G663-T666 PolarHBondContact N-OG1 2.67Å; G663-T666 PolarHBondContact O-N 2.97Å; G663-T666 PolarHBondContact O-OG1 3.01Å
664	G	76.9	Confident	67.9	Low	59 Å²	59	57.4 Å²	57.4	61%	0.608	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-121.9	170.7	0	0	0	0	0	113.7	T666 K681	G664-T666 PolarHBondContact O-N 2.83Å; G664-K681 PolarHBondContact O-NZ 2.58Å
665	N	75.4	Confident	67.8	Low	59 Å²	59	55.1 Å²	55.1	32%	0.316	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	20.5	-176.9	-66.2	-9.9	0	0	0	113.3	G663 K681 F684 C689	G663-N665 PolarHBondContact O-N 3.18Å; N665-K681 PolarHBondContact O-N 3.39Å; N665-F684 HydrophobicContact CB-CB 4.38Å; N665-F684 HydrophobicContact CB-CD1 4.07Å; N665-F684 HydrophobicContact CB-CD2 4.36Å; N665-F684 HydrophobicContact CB-CE1 4.47Å; N665-F684 HydrophobicContact CB-CG 4Å; N665-F684 VanDerWaalsContact ND2-CD1 3.3Å; N665-F684 WeakPolarHBondContact ND2-CD1 3.38Å; N665-F684 WeakPolarHBondContact ND2-CE1 3.28Å; N665-C689 HydrophobicContact CB-CB 3.67Å; N665-C689 WeakPolarHBondContact CB-O 3.39Å; N665-C689 PolarHBondContact ND2-O 3.13Å; N665-C689 WeakPolarHBondContact O-CB 3.22Å
666	T	73.5	Confident	67.9	Low	22 Å²	22	58.4 Å²	58.4	14%	0.135	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	153.9	176.9	56.6	0	0	0	0	113	C662 G663 G664 C678 V679 K681 C689	C662-T666 WeakPolarHBondContact CB-OG1 3.44Å; G663-T666 PolarHBondContact N-OG1 2.67Å; G663-T666 PolarHBondContact O-N 2.97Å; G663-T666 PolarHBondContact O-OG1 3.01Å; G664-T666 PolarHBondContact O-N 2.83Å; T666-C678 HydrophobicContact CG2-CB 4.13Å; T666-V679 CarbonylContact C-O 3.36Å; T666-V679 WeakPolarHBondContact CA-O 3.22Å; T666-V679 WeakPolarHBondContact CB-O 3.28Å; T666-K681 VanDerWaalsContact O-CE 3.26Å; T666-K681 WeakPolarHBondContact O-CE 3.03Å; T666-C689 HydrophobicContact CG2-CB 4.34Å; T666-C689 VanDerWaalsContact CG2-SG 3.59Å
667	V	71	Confident	68	Low	33 Å²	33	62.4 Å²	62.4	20%	0.2	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.4	166.3	-178.1	0	0	0	0	107.3	C678 V679 K681	V667-C678 CarbonylContact O-C 3.4Å; V667-C678 WeakPolarHBondContact O-CA 3.3Å; V667-V679 HydrophobicContact CB-CG2 4.18Å; V667-V679 PolarHBondContact N-O 3.49Å; V667-V679 PolarHBondContact O-N 3.09Å; V667-K681 HydrophobicContact CG2-CB 4.2Å; V667-K681 HydrophobicContact CG2-CG 3.41Å; V667-K681 VanDerWaalsContact CG2-CG 3.41Å
668	C	72.9	Confident	68.4	Low	19 Å²	19	64.4 Å²	64.4	13%	0.128	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.3	167.4	-171.5	0	0	0	0	108.8	C657 C662 Y676	C657-C668 WeakPolarHBondContact CA-SG 3.27Å; C657-C668 HydrophobicContact CB-CB 3.62Å; C657-C668 WeakPolarHBondContact CB-SG 3.5Å; C657-C668 WeakPolarHBondContact SG-CB 3.37Å; C657-C668 PolarHBondContact SG-O 3.01Å; C657-C668 CovalentContact SG-SG 2.04Å; C657-C668 PolarHBondContact SG-SG 2.96Å; C662-C668 HydrophobicContact CB-CB 4.07Å; C662-C668 VanDerWaalsContact SG-CA 3.57Å; C662-C668 VanDerWaalsContact SG-CB 3.55Å; C668-Y676 VanDerWaalsContact SG-CD2 3.57Å
669	V	68	Low	68.7	Low	24 Å²	24	63.2 Å²	63.2	15%	0.145	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.2	170.1	-177.8	0	0	0	0	107.8	C657 K677 V679	C657-V669 PolarHBondContact SG-N 3.37Å; V669-K677 HydrophobicContact CB-CG 4.02Å; V669-K677 PolarHBondContact N-O 2.84Å; V669-K677 PolarHBondContact O-N 2.82Å; V669-V679 HydrophobicContact CB-CG1 4.35Å; V669-V679 HydrophobicContact CG2-CB 4.36Å; V669-V679 HydrophobicContact CG2-CG1 3.93Å; V669-V679 HydrophobicContact CG2-CG2 3.49Å; V669-V679 VanDerWaalsContact CG2-CG2 3.49Å
670	D	66	Low	69.4	Low	2 Å²	2	60.3 Å²	60.3	1%	0.011	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	159.7	-178.8	-148	-35.1	0	0	0	111.6	C570 V623 N655 D656	C570-D670 PolarHBondContact SG-OD2 2.87Å; V623-D670 HydrophobicContact CB-CB 4.41Å; V623-D670 HydrophobicContact CG1-CB 3.77Å; N655-D670 VanDerWaalsContact CA-OD2 3.25Å; N655-D670 WeakPolarHBondContact CA-OD2 3.29Å; D656-D670 PolarHBondContact N-OD2 3.28Å
671	A	62.7	Low	69.6	Low	18 Å²	18	56.3 Å²	56.3	15%	0.149	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	135	-178.5	0	0	0	0	0	112.5	S675	A671-S675 VanDerWaalsContact CB-OG 3.28Å; A671-S675 WeakPolarHBondContact CB-OG 3.31Å; A671-S675 PolarHBondContact N-O 3.07Å; A671-S675 CarbonylContact O-C 3.58Å; A671-S675 PolarHBondContact O-N 3.22Å; A671-S675 VanDerWaalsContact O-N 3.1Å; A671-S675 PolarHBondContact O-OG 3.38Å
672	F	56.9	Low	68.9	Low	88 Å²	88	56.4 Å²	56.4	39%	0.386	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	147.9	-169.3	-168.3	-118.4	0	0	0	115.6	H572 D653 S675	H572-F672 AromaticContact CE1-CD2 3.53Å; H572-F672 AromaticContact CE1-CG 3.9Å; H572-F672 AromaticContact ND1-CD2 3.45Å; H572-F672 WeakPolarHBondContact ND1-CD2 3.36Å; H572-F672 AromaticContact ND1-CE2 4Å; D653-F672 WeakPolarHBondContact OD2-CD2 3.05Å; F672-S675 PolarHBondContact O-OG 2.03Å
673	N	60.4	Low	68.2	Low	125 Å²	125	55.7 Å²	55.7	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	52.4	-173.3	-65.5	-60.7	0	0	0	114.7
674	S	63.5	Low	68	Low	83 Å²	83	56.2 Å²	56.2	58%	0.58	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	55.8	172.5	-57.3	0	0	0	0	114.3	D656	D656-S674 WeakPolarHBondContact OD2-CA 3.41Å; D656-S674 WeakPolarHBondContact OD2-CB 3.2Å
675	S	67.1	Low	67.4	Low	49 Å²	49	55.4 Å²	55.4	34%	0.343	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	166.6	-175.6	79.4	0	0	0	0	112.2	D656 A671 F672	D656-S675 PolarHBondContact OD2-N 3.22Å; A671-S675 VanDerWaalsContact CB-OG 3.28Å; A671-S675 WeakPolarHBondContact CB-OG 3.31Å; A671-S675 PolarHBondContact N-O 3.07Å; A671-S675 CarbonylContact O-C 3.58Å; A671-S675 PolarHBondContact O-N 3.22Å; A671-S675 VanDerWaalsContact O-N 3.1Å; A671-S675 PolarHBondContact O-OG 3.38Å; F672-S675 PolarHBondContact O-OG 2.03Å
676	Y	70.1	Confident	67	Low	102 Å²	102	54 Å²	54	40%	0.4	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.9	-179.6	71.3	-78.8	0	0	0	111.7	K661 C668	K661-Y676 HydrophobicContact CB-CD2 4.35Å; K661-Y676 HydrophobicContact CB-CE2 3.82Å; K661-Y676 HydrophobicContact CD-CD1 3.92Å; K661-Y676 HydrophobicContact CD-CD2 4.21Å; K661-Y676 HydrophobicContact CD-CE1 3.72Å; K661-Y676 HydrophobicContact CD-CE2 4.02Å; K661-Y676 HydrophobicContact CD-CG 4.17Å; K661-Y676 HydrophobicContact CG-CE1 4.4Å; K661-Y676 HydrophobicContact CG-CE2 4.18Å; C668-Y676 VanDerWaalsContact SG-CD2 3.57Å
677	K	72.2	Confident	66.8	Low	113 Å²	113	56.7 Å²	56.7	49%	0.491	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137	176.1	62.7	-167.4	171	-166.2	0	110.2	V669 V679	V669-K677 HydrophobicContact CB-CG 4.02Å; V669-K677 PolarHBondContact N-O 2.84Å; V669-K677 PolarHBondContact O-N 2.82Å; K677-V679 HydrophobicContact CG-CG1 4.21Å
678	C	75.3	Confident	66.9	Low	64 Å²	64	61.3 Å²	61.3	43%	0.432	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.2	170.7	-54.4	0	0	0	0	109.1	C662 T666 V667	C662-C678 HydrophobicContact CB-CB 3.86Å; C662-C678 WeakPolarHBondContact CB-SG 3.02Å; C662-C678 WeakPolarHBondContact SG-CA 3.02Å; C662-C678 WeakPolarHBondContact SG-CB 3.42Å; C662-C678 CovalentContact SG-SG 2.04Å; C662-C678 PolarHBondContact SG-SG 2.95Å; T666-C678 HydrophobicContact CG2-CB 4.13Å; V667-C678 CarbonylContact O-C 3.4Å; V667-C678 WeakPolarHBondContact O-CA 3.3Å
679	V	73.3	Confident	67.1	Low	56 Å²	56	60.7 Å²	60.7	34%	0.339	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	168.9	171.5	-51	0	0	0	0	109.8	T666 V667 V669 K677	T666-V679 CarbonylContact C-O 3.36Å; T666-V679 WeakPolarHBondContact CA-O 3.22Å; T666-V679 WeakPolarHBondContact CB-O 3.28Å; V667-V679 HydrophobicContact CB-CG2 4.18Å; V667-V679 PolarHBondContact N-O 3.49Å; V667-V679 PolarHBondContact O-N 3.09Å; V669-V679 HydrophobicContact CB-CG1 4.35Å; V669-V679 HydrophobicContact CG2-CB 4.36Å; V669-V679 HydrophobicContact CG2-CG1 3.93Å; V669-V679 HydrophobicContact CG2-CG2 3.49Å; V669-V679 VanDerWaalsContact CG2-CG2 3.49Å; K677-V679 HydrophobicContact CG-CG1 4.21Å
680	C	71.9	Confident	67.7	Low	39 Å²	39	63.4 Å²	63.4	26%	0.264	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	145.9	173.5	-61	0	0	0	0	112.3	F684 C689	C680-F684 HydrophobicContact CB-CB 4.16Å; C680-F684 WeakPolarHBondContact CB-O 3.46Å; C680-C689 WeakPolarHBondContact CA-SG 3.48Å; C680-C689 HydrophobicContact CB-CB 3.7Å; C680-C689 WeakPolarHBondContact CB-SG 3.02Å; C680-C689 VanDerWaalsContact SG-CA 3.53Å; C680-C689 WeakPolarHBondContact SG-CB 3.26Å; C680-C689 CovalentContact SG-SG 2.04Å; C680-C689 PolarHBondContact SG-SG 3.34Å
681	K	66.4	Low	68	Low	86 Å²	86	66.5 Å²	66.5	37%	0.374	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-56.9	149.1	164.9	-79.4	173.1	179	158.2	0	109.9	G664 N665 T666 V667 G683 F684	G664-K681 PolarHBondContact O-NZ 2.58Å; N665-K681 PolarHBondContact O-N 3.39Å; T666-K681 VanDerWaalsContact O-CE 3.26Å; T666-K681 WeakPolarHBondContact O-CE 3.03Å; V667-K681 HydrophobicContact CG2-CB 4.2Å; V667-K681 HydrophobicContact CG2-CG 3.41Å; V667-K681 VanDerWaalsContact CG2-CG 3.41Å; K681-G683 PolarHBondContact O-N 2.86Å; K681-F684 HydrophobicContact CB-CD2 3.85Å; K681-F684 PolarHBondContact O-N 3.43Å
682	P	56.5	Low	68.2	Low	65 Å²	65	72.2 Å²	72.2	42%	0.422	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	135.9	164.8	-24.4	33.7	0	0	0	109.9	F684 D712	P682-F684 WeakPolarHBondContact O-CD2 3.49Å; P682-D712 WeakPolarHBondContact CB-OD2 3.28Å
683	G	57.8	Low	68.5	Low	7 Å²	7	70.7 Å²	70.7	7%	0.072	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	8.4	-174.8	0	0	0	0	0	115.7	K681 K692 Y693 D712	K681-G683 PolarHBondContact O-N 2.86Å; G683-K692 CarbonylContact O-C 3.52Å; G683-K692 WeakPolarHBondContact O-CA 3.04Å; G683-K692 VanDerWaalsContact O-CG 3.22Å; G683-K692 WeakPolarHBondContact O-CG 3.16Å; G683-Y693 PolarHBondContact O-N 2.98Å; G683-D712 WeakPolarHBondContact CA-OD1 3.18Å; G683-D712 PolarHBondContact N-OD1 3.41Å
684	F	69.9	Low	68.7	Low	68 Å²	68	65.6 Å²	65.6	30%	0.298	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.8	178.1	-65.5	-85.1	0	0	0	114.6	N665 C680 K681 P682 C689 T691	N665-F684 HydrophobicContact CB-CB 4.38Å; N665-F684 HydrophobicContact CB-CD1 4.07Å; N665-F684 HydrophobicContact CB-CD2 4.36Å; N665-F684 HydrophobicContact CB-CE1 4.47Å; N665-F684 HydrophobicContact CB-CG 4Å; N665-F684 VanDerWaalsContact ND2-CD1 3.3Å; N665-F684 WeakPolarHBondContact ND2-CD1 3.38Å; N665-F684 WeakPolarHBondContact ND2-CE1 3.28Å; C680-F684 HydrophobicContact CB-CB 4.16Å; C680-F684 WeakPolarHBondContact CB-O 3.46Å; K681-F684 HydrophobicContact CB-CD2 3.85Å; K681-F684 PolarHBondContact O-N 3.43Å; P682-F684 WeakPolarHBondContact O-CD2 3.49Å; F684-C689 HydrophobicContact CB-CB 4.13Å; F684-C689 WeakPolarHBondContact CD1-O 3.27Å; F684-T691 CarbonylContact C-O 3.53Å; F684-T691 WeakPolarHBondContact CA-O 3.24Å
685	T	65.2	Low	68.6	Low	41 Å²	41	61.7 Å²	61.7	25%	0.252	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	178.2	-179.6	-169	0	0	0	0	111	C689 E690 T691 Y693	T685-C689 CarbonylContact O-C 3.6Å; T685-C689 VanDerWaalsContact O-C 3.31Å; T685-C689 VanDerWaalsContact O-CA 3.27Å; T685-C689 WeakPolarHBondContact O-CA 3.33Å; T685-E690 PolarHBondContact O-N 2.86Å; T685-T691 HydrophobicContact CG2-CG2 3.86Å; T685-T691 PolarHBondContact N-O 3.04Å; T685-T691 WeakPolarHBondContact O-CA 3.24Å; T685-T691 WeakPolarHBondContact O-CB 3.27Å; T685-T691 PolarHBondContact O-N 3.05Å; T685-T691 VanDerWaalsContact O-O 3.1Å; T685-Y693 HydrophobicContact CG2-CD2 4.44Å
686	G	66.3	Low	68.8	Low	29 Å²	29	60.7 Å²	60.7	30%	0.299	32%	0.321	S	S	.	.	S	Bend	trans	92.7	164	-169.8	0	0	0	0	0	112.9	K688 C689	G686-K688 PolarHBondContact O-N 3.39Å; G686-K688 VanDerWaalsContact O-N 3.13Å; G686-C689 PolarHBondContact O-N 3.37Å; G686-C689 VanDerWaalsContact O-N 3.08Å
687	S	69.9	Low	68.7	Low	80 Å²	80	60.4 Å²	60.4	56%	0.559	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.1	-170.7	61.2	0	0	0	0	114.4	N18 E690	N18-S687 WeakPolarHBondContact CB-OG 3.46Å; N18-S687 PolarHBondContact O-OG 3.09Å; S687-E690 PolarHBondContact N-OE2 3.07Å
688	K	73	Confident	68.2	Low	130 Å²	130	60.2 Å²	60.2	57%	0.565	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	15.5	171.4	-53.8	-176.1	-176.9	-174	0	111.6	G686 E690	G686-K688 PolarHBondContact O-N 3.39Å; G686-K688 VanDerWaalsContact O-N 3.13Å; K688-E690 VanDerWaalsContact C-OE2 3.22Å; K688-E690 VanDerWaalsContact CA-OE2 3.25Å; K688-E690 WeakPolarHBondContact CA-OE2 3.31Å; K688-E690 WeakPolarHBondContact CB-OE2 3.25Å; K688-E690 PolarHBondContact N-OE2 2.89Å; K688-E690 PolarHBondContact O-N 2.8Å
689	C	76.1	Confident	67.5	Low	6 Å²	6	63 Å²	63	4%	0.041	34%	0.34	C	S	.	.	S	Bend	trans	57.3	29.8	-176.1	-49.4	0	0	0	0	113.2	N665 T666 C680 F684 T685 G686	N665-C689 HydrophobicContact CB-CB 3.67Å; N665-C689 WeakPolarHBondContact CB-O 3.39Å; N665-C689 PolarHBondContact ND2-O 3.13Å; N665-C689 WeakPolarHBondContact O-CB 3.22Å; T666-C689 HydrophobicContact CG2-CB 4.34Å; T666-C689 VanDerWaalsContact CG2-SG 3.59Å; C680-C689 WeakPolarHBondContact CA-SG 3.48Å; C680-C689 HydrophobicContact CB-CB 3.7Å; C680-C689 WeakPolarHBondContact CB-SG 3.02Å; C680-C689 VanDerWaalsContact SG-CA 3.53Å; C680-C689 WeakPolarHBondContact SG-CB 3.26Å; C680-C689 CovalentContact SG-SG 2.04Å; C680-C689 PolarHBondContact SG-SG 3.34Å; F684-C689 HydrophobicContact CB-CB 4.13Å; F684-C689 WeakPolarHBondContact CD1-O 3.27Å; T685-C689 CarbonylContact O-C 3.6Å; T685-C689 VanDerWaalsContact O-C 3.31Å; T685-C689 VanDerWaalsContact O-CA 3.27Å; T685-C689 WeakPolarHBondContact O-CA 3.33Å; G686-C689 PolarHBondContact O-N 3.37Å; G686-C689 VanDerWaalsContact O-N 3.08Å
690	E	81.1	Confident	67.2	Low	80 Å²	80	70.2 Å²	70.2	37%	0.374	37%	0.366	S	S	.	.			trans	-82.2	-20.3	-175.5	74.7	-67.8	166.4	0	0	113.6	N18 T685 S687 K688	N18-E690 PolarHBondContact ND2-OE1 3.35Å; T685-E690 PolarHBondContact O-N 2.86Å; S687-E690 PolarHBondContact N-OE2 3.07Å; K688-E690 VanDerWaalsContact C-OE2 3.22Å; K688-E690 VanDerWaalsContact CA-OE2 3.25Å; K688-E690 WeakPolarHBondContact CA-OE2 3.31Å; K688-E690 WeakPolarHBondContact CB-OE2 3.25Å; K688-E690 PolarHBondContact N-OE2 2.89Å; K688-E690 PolarHBondContact O-N 2.8Å
691	T	73.2	Confident	66.8	Low	67 Å²	67	69.7 Å²	69.7	41%	0.411	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.4	178	-57.3	0	0	0	0	108.7	F684 T685 Y693	F684-T691 CarbonylContact C-O 3.53Å; F684-T691 WeakPolarHBondContact CA-O 3.24Å; T685-T691 HydrophobicContact CG2-CG2 3.86Å; T685-T691 PolarHBondContact N-O 3.04Å; T685-T691 WeakPolarHBondContact O-CA 3.24Å; T685-T691 WeakPolarHBondContact O-CB 3.27Å; T685-T691 PolarHBondContact O-N 3.05Å; T685-T691 VanDerWaalsContact O-O 3.1Å; T691-Y693 PolarHBondContact O-N 2.89Å
692	K	66.4	Low	67	Low	139 Å²	139	66.5 Å²	66.5	60%	0.604	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.3	168.8	-164.9	-168.6	174.7	-166.2	0	108.3	G683	G683-K692 CarbonylContact O-C 3.52Å; G683-K692 WeakPolarHBondContact O-CA 3.04Å; G683-K692 VanDerWaalsContact O-CG 3.22Å; G683-K692 WeakPolarHBondContact O-CG 3.16Å
693	Y	61.9	Low	67.4	Low	56 Å²	56	69.1 Å²	69.1	22%	0.22	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-62.9	143.4	174.4	-179.6	-111.1	0	0	0	110.4	G683 T685 T691 A695 H698 F699 D712	G683-Y693 PolarHBondContact O-N 2.98Å; T685-Y693 HydrophobicContact CG2-CD2 4.44Å; T691-Y693 PolarHBondContact O-N 2.89Å; Y693-A695 HydrophobicContact CE1-CB 3.89Å; Y693-H698 AromaticContact CD2-CD2 3.93Å; Y693-H698 HydrophobicContact CE2-CB 4Å; Y693-H698 AromaticContact CE2-CD2 3.85Å; Y693-H698 AromaticContact CE2-CG 3.76Å; Y693-F699 WeakPolarHBondContact OH-CE2 3.45Å; Y693-D712 WeakPolarHBondContact CE1-O 3.47Å
694	S	66.1	Low	67.9	Low	17 Å²	17	72 Å²	72	12%	0.119	37%	0.366	C	S	.	.			trans	-140.7	107.5	176.7	164.5	0	0	0	0	105.9	C696 S697 H698 D709	S694-C696 PolarHBondContact O-N 3.07Å; S694-S697 WeakPolarHBondContact CB-OG 3.07Å; S694-S697 PolarHBondContact O-N 3.27Å; S694-S697 VanDerWaalsContact O-N 3.07Å; S694-S697 WeakPolarHBondContact OG-CB 3.03Å; S694-S697 PolarHBondContact OG-N 2.8Å; S694-S697 VanDerWaalsContact OG-N 3.09Å; S694-S697 PolarHBondContact OG-OG 3.3Å; S694-H698 PolarHBondContact O-CD2 3.49Å; S694-H698 PolarHBondContact O-N 3.27Å; S694-D709 VanDerWaalsContact C-OD1 3.27Å; S694-D709 VanDerWaalsContact CA-OD1 3.29Å; S694-D709 WeakPolarHBondContact CA-OD1 3.41Å; S694-D709 VanDerWaalsContact CB-OD2 3.23Å; S694-D709 WeakPolarHBondContact CB-OD2 3.23Å; S694-D709 VanDerWaalsContact OG-CG 3.25Å; S694-D709 PolarHBondContact OG-OD1 2.83Å; S694-D709 PolarHBondContact OG-OD2 3.28Å
695	A	61.6	Low	68.2	Low	2 Å²	2	69.6 Å²	69.6	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-34.9	177.2	0	0	0	0	0	110.3	Y693 S697 H698 F699 D709 F714	Y693-A695 HydrophobicContact CE1-CB 3.89Å; A695-S697 VanDerWaalsContact C-N 3.29Å; A695-S697 PolarHBondContact O-N 2.75Å; A695-H698 PolarHBondContact O-N 3.18Å; A695-F699 WeakPolarHBondContact O-CB 3.3Å; A695-F699 PolarHBondContact O-N 2.97Å; A695-D709 PolarHBondContact N-OD1 3.16Å; A695-F714 HydrophobicContact CB-CB 3.92Å; A695-F714 HydrophobicContact CB-CD1 3.94Å; A695-F714 HydrophobicContact CB-CG 4.4Å
696	C	70.8	Confident	69	Low	27 Å²	27	74.2 Å²	74.2	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-71.3	-14.6	174.5	-64.7	0	0	0	0	115.3	S694 F699 C707 I708 D709	S694-C696 PolarHBondContact O-N 3.07Å; C696-F699 CarbonylContact C-O 3.59Å; C696-C707 WeakPolarHBondContact CA-SG 3.44Å; C696-C707 HydrophobicContact CB-CB 3.67Å; C696-C707 WeakPolarHBondContact CB-SG 3.38Å; C696-C707 WeakPolarHBondContact SG-CB 3.4Å; C696-C707 CovalentContact SG-SG 2.03Å; C696-C707 PolarHBondContact SG-SG 2.94Å; C696-I708 PolarHBondContact SG-N 2.05Å; C696-I708 VanDerWaalsContact SG-N 3.38Å; C696-D709 WeakPolarHBondContact CB-OD1 3.41Å; C696-D709 PolarHBondContact N-OD1 2.95Å
697	S	67.9	Low	69.6	Low	97 Å²	97	74.5 Å²	74.5	68%	0.678	38%	0.377	S	S	*	.	H	α-helix	trans	-95.2	-31	172.3	-60.8	0	0	0	0	112.9	S694 A695	S694-S697 WeakPolarHBondContact CB-OG 3.07Å; S694-S697 PolarHBondContact O-N 3.27Å; S694-S697 VanDerWaalsContact O-N 3.07Å; S694-S697 WeakPolarHBondContact OG-CB 3.03Å; S694-S697 PolarHBondContact OG-N 2.8Å; S694-S697 VanDerWaalsContact OG-N 3.09Å; S694-S697 PolarHBondContact OG-OG 3.3Å; A695-S697 VanDerWaalsContact C-N 3.29Å; A695-S697 PolarHBondContact O-N 2.75Å
698	H	61.7	Low	70.1	Confident	108 Å²	108	73.7 Å²	73.7	50%	0.5	37%	0.365	S	S	.	.	H	α-helix	trans	-86.3	-32.3	179.9	-80.8	-103.4	0	0	0	113	Y693 S694 A695	Y693-H698 AromaticContact CD2-CD2 3.93Å; Y693-H698 HydrophobicContact CE2-CB 4Å; Y693-H698 AromaticContact CE2-CD2 3.85Å; Y693-H698 AromaticContact CE2-CG 3.76Å; S694-H698 PolarHBondContact O-CD2 3.49Å; S694-H698 PolarHBondContact O-N 3.27Å; A695-H698 PolarHBondContact O-N 3.18Å
699	F	60	Low	69.7	Low	124 Å²	124	70.8 Å²	70.8	54%	0.544	36%	0.356	S	S	.	.			trans	-121.9	160.7	175.9	-59.7	-81.8	0	0	0	110.2	Y693 A695 C696 P701	Y693-F699 WeakPolarHBondContact OH-CE2 3.45Å; A695-F699 WeakPolarHBondContact O-CB 3.3Å; A695-F699 PolarHBondContact O-N 2.97Å; C696-F699 CarbonylContact C-O 3.59Å; F699-P701 WeakPolarHBondContact O-CD 3.42Å
700	K	66.5	Low	69.2	Low	207 Å²	207	73.7 Å²	73.7	90%	0.9	37%	0.373	S	S	*	.			trans	-117.7	71.5	166.7	-68.9	-168.7	176.6	-170.2	0	109.6
701	P	64.7	Low	68.2	Low	28 Å²	28	74.1 Å²	74.1	18%	0.182	39%	0.385	C	S	.	.			trans	-80.2	-30.4	-168.9	32.2	-35.2	0	0	0	112.7	F699 K703 F714	F699-P701 WeakPolarHBondContact O-CD 3.42Å; P701-K703 PolarHBondContact O-N 2.76Å; P701-F714 HydrophobicContact CB-CD1 4.43Å; P701-F714 HydrophobicContact CB-CD2 3.84Å; P701-F714 HydrophobicContact CB-CE1 3.95Å; P701-F714 HydrophobicContact CB-CE2 3.25Å; P701-F714 HydrophobicContact CB-CG 4.39Å; P701-F714 HydrophobicContact CB-CZ 3.33Å; P701-F714 HydrophobicContact CG-CB 4.4Å; P701-F714 HydrophobicContact CG-CD1 3.89Å; P701-F714 HydrophobicContact CG-CD2 3.24Å; P701-F714 HydrophobicContact CG-CE1 3.93Å; P701-F714 HydrophobicContact CG-CE2 3.25Å; P701-F714 HydrophobicContact CG-CG 3.57Å; P701-F714 HydrophobicContact CG-CZ 3.63Å
702	C	69.7	Low	67.3	Low	19 Å²	19	74 Å²	74	13%	0.128	38%	0.382	C	S	.	.			trans	-78.2	108.4	178.6	-46.3	0	0	0	0	109.9	G705 C707 C716 I727	C702-G705 VanDerWaalsContact CB-O 3.3Å; C702-G705 WeakPolarHBondContact CB-O 3.02Å; C702-C707 HydrophobicContact CB-CB 4.21Å; C702-C707 WeakPolarHBondContact SG-CA 3.46Å; C702-C707 WeakPolarHBondContact SG-CB 3.05Å; C702-C716 WeakPolarHBondContact CA-SG 3.25Å; C702-C716 HydrophobicContact CB-CB 3.72Å; C702-C716 WeakPolarHBondContact CB-SG 3.1Å; C702-C716 VanDerWaalsContact SG-CA 3.52Å; C702-C716 WeakPolarHBondContact SG-CB 3.41Å; C702-C716 CovalentContact SG-SG 2.03Å; C702-C716 PolarHBondContact SG-SG 3.21Å; C702-I727 WeakPolarHBondContact CA-O 3.33Å
703	K	64.8	Low	66.7	Low	120 Å²	120	71.3 Å²	71.3	52%	0.522	38%	0.377	S	S	.	.	S	Bend	trans	-79.7	-38.2	-176.7	-169.5	-178.9	177.8	178.5	0	112.7	P701 I727 N729	P701-K703 PolarHBondContact O-N 2.76Å; K703-I727 PolarHBondContact N-O 2.91Å; K703-N729 WeakPolarHBondContact CD-OD1 3.36Å; K703-N729 PolarHBondContact NZ-OD1 3.32Å
704	F	70	Confident	67	Low	67 Å²	67	71.1 Å²	71.1	29%	0.294	38%	0.378	S	S	.	.	S	Bend	trans	-136	58.3	179	-58.5	-73.5	0	0	0	110.7	E719 Y722 C728 T730	F704-E719 PolarHBondContact O-N 2.73Å; F704-Y722 HydrophobicContact CB-CD1 3.7Å; F704-Y722 HydrophobicContact CB-CD2 3.76Å; F704-Y722 HydrophobicContact CB-CE1 3.49Å; F704-Y722 VanDerWaalsContact CB-CE1 3.49Å; F704-Y722 HydrophobicContact CB-CE2 3.58Å; F704-Y722 HydrophobicContact CB-CG 3.83Å; F704-Y722 VanDerWaalsContact CB-CZ 3.44Å; F704-Y722 HydrophobicContact CD1-CE1 4.1Å; F704-Y722 HydrophobicContact CD1-CE2 4.44Å; F704-Y722 AromaticContact CD1-CZ 3.75Å; F704-Y722 WeakPolarHBondContact CD1-OH 3.1Å; F704-Y722 AromaticContact CD2-CD1 3.82Å; F704-Y722 HydrophobicContact CD2-CD1 3.82Å; F704-Y722 AromaticContact CD2-CE1 3.22Å; F704-Y722 HydrophobicContact CD2-CE1 3.22Å; F704-Y722 AromaticContact CD2-CZ 3.78Å; F704-Y722 AromaticContact CE2-CE1 3.87Å; F704-Y722 HydrophobicContact CE2-CE1 3.87Å; F704-Y722 HydrophobicContact CG-CD1 4Å; F704-Y722 AromaticContact CG-CE1 3.34Å; F704-Y722 HydrophobicContact CG-CE1 3.34Å; F704-Y722 HydrophobicContact CG-CE2 4.05Å; F704-Y722 AromaticContact CG-CZ 3.39Å; F704-C728 PolarHBondContact N-O 3.38Å; F704-C728 WeakPolarHBondContact O-CB 3.48Å; F704-T730 HydrophobicContact CE2-CG2 4.39Å
705	G	75	Confident	67.3	Low	18 Å²	18	73.4 Å²	73.4	19%	0.186	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	162.6	-179.1	0	0	0	0	0	112.9	C702 I717	C702-G705 VanDerWaalsContact CB-O 3.3Å; C702-G705 WeakPolarHBondContact CB-O 3.02Å; G705-I717 CarbonylContact C-O 3.55Å; G705-I717 WeakPolarHBondContact CA-O 3.35Å
706	E	81.3	Confident	67.8	Low	137 Å²	137	73.6 Å²	73.6	64%	0.64	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	127	174.5	-175.5	171.4	-159.2	0	0	110.2	I717	E706-I717 HydrophobicContact CB-CB 4.34Å; E706-I717 PolarHBondContact N-O 2.89Å; E706-I717 PolarHBondContact O-N 3.11Å
707	C	79	Confident	68.1	Low	36 Å²	36	76.7 Å²	76.7	24%	0.243	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.5	179.8	-166.5	0	0	0	0	110.6	C696 C702	C696-C707 WeakPolarHBondContact CA-SG 3.44Å; C696-C707 HydrophobicContact CB-CB 3.67Å; C696-C707 WeakPolarHBondContact CB-SG 3.38Å; C696-C707 WeakPolarHBondContact SG-CB 3.4Å; C696-C707 CovalentContact SG-SG 2.03Å; C696-C707 PolarHBondContact SG-SG 2.94Å; C702-C707 HydrophobicContact CB-CB 4.21Å; C702-C707 WeakPolarHBondContact SG-CA 3.46Å; C702-C707 WeakPolarHBondContact SG-CB 3.05Å
708	I	81.7	Confident	68	Low	63 Å²	63	73.8 Å²	73.8	32%	0.323	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132	173.1	54.5	166.1	0	0	0	110.7	C696 V710 F714 N715 I717	C696-I708 PolarHBondContact SG-N 2.05Å; C696-I708 VanDerWaalsContact SG-N 3.38Å; I708-V710 HydrophobicContact CD1-CG2 4.48Å; I708-V710 HydrophobicContact CG1-CG2 4.46Å; I708-F714 CarbonylContact O-C 3.52Å; I708-F714 VanDerWaalsContact O-CA 3.3Å; I708-F714 WeakPolarHBondContact O-CA 3.46Å; I708-N715 HydrophobicContact CD1-CB 4.3Å; I708-N715 HydrophobicContact CG1-CB 4.05Å; I708-N715 VanDerWaalsContact CG1-O 3.24Å; I708-N715 WeakPolarHBondContact CG1-O 3.39Å; I708-N715 PolarHBondContact N-O 2.9Å; I708-N715 PolarHBondContact O-N 2.66Å; I708-I717 HydrophobicContact CD1-CD1 4.17Å; I708-I717 HydrophobicContact CD1-CG1 4.01Å; I708-I717 HydrophobicContact CG1-CG1 4.23Å; I708-I717 HydrophobicContact CG2-CD1 3.72Å; I708-I717 HydrophobicContact CG2-CG1 4.21Å
709	D	64.9	Low	68.5	Low	69 Å²	69	74.4 Å²	74.4	37%	0.369	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.5	174.6	-68.1	-55.5	0	0	0	110.7	S694 A695 C696	S694-D709 VanDerWaalsContact C-OD1 3.27Å; S694-D709 VanDerWaalsContact CA-OD1 3.29Å; S694-D709 WeakPolarHBondContact CA-OD1 3.41Å; S694-D709 VanDerWaalsContact CB-OD2 3.23Å; S694-D709 WeakPolarHBondContact CB-OD2 3.23Å; S694-D709 VanDerWaalsContact OG-CG 3.25Å; S694-D709 PolarHBondContact OG-OD1 2.83Å; S694-D709 PolarHBondContact OG-OD2 3.28Å; A695-D709 PolarHBondContact N-OD1 3.16Å; C696-D709 WeakPolarHBondContact CB-OD1 3.41Å; C696-D709 PolarHBondContact N-OD1 2.95Å
710	V	64.9	Low	68.5	Low	67 Å²	67	73.9 Å²	73.9	41%	0.406	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	91.1	-179.6	-177.5	0	0	0	0	108.8	I708 D712 T713 N715	I708-V710 HydrophobicContact CD1-CG2 4.48Å; I708-V710 HydrophobicContact CG1-CG2 4.46Å; V710-D712 PolarHBondContact O-N 3.33Å; V710-T713 PolarHBondContact N-O 2.9Å; V710-T713 PolarHBondContact O-N 3.33Å; V710-T713 PolarHBondContact O-OG1 2.66Å; V710-N715 HydrophobicContact CG2-CB 3.64Å
711	S	60.1	Low	67.9	Low	88 Å²	88	66.2 Å²	66.2	62%	0.615	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-99.9	-167.5	-160.1	0	0	0	0	112.4
712	D	53.6	Low	67.5	Low	65 Å²	65	67.3 Å²	67.3	35%	0.348	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-3.1	-177	-50.2	-29.6	0	0	0	111.6	P682 G683 Y693 V710	P682-D712 WeakPolarHBondContact CB-OD2 3.28Å; G683-D712 WeakPolarHBondContact CA-OD1 3.18Å; G683-D712 PolarHBondContact N-OD1 3.41Å; Y693-D712 WeakPolarHBondContact CE1-O 3.47Å; V710-D712 PolarHBondContact O-N 3.33Å
713	T	55.1	Low	66.9	Low	83 Å²	83	69.7 Å²	69.7	51%	0.509	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-177.6	172.8	84.6	0	0	0	0	110	V710	V710-T713 PolarHBondContact N-O 2.9Å; V710-T713 PolarHBondContact O-N 3.33Å; V710-T713 PolarHBondContact O-OG1 2.66Å
714	F	67.9	Low	66.4	Low	52 Å²	52	66.5 Å²	66.5	23%	0.228	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	172.9	162	61.5	-80.7	0	0	0	109.6	A695 P701 I708 S726 I727	A695-F714 HydrophobicContact CB-CB 3.92Å; A695-F714 HydrophobicContact CB-CD1 3.94Å; A695-F714 HydrophobicContact CB-CG 4.4Å; P701-F714 HydrophobicContact CB-CD1 4.43Å; P701-F714 HydrophobicContact CB-CD2 3.84Å; P701-F714 HydrophobicContact CB-CE1 3.95Å; P701-F714 HydrophobicContact CB-CE2 3.25Å; P701-F714 HydrophobicContact CB-CG 4.39Å; P701-F714 HydrophobicContact CB-CZ 3.33Å; P701-F714 HydrophobicContact CG-CB 4.4Å; P701-F714 HydrophobicContact CG-CD1 3.89Å; P701-F714 HydrophobicContact CG-CD2 3.24Å; P701-F714 HydrophobicContact CG-CE1 3.93Å; P701-F714 HydrophobicContact CG-CE2 3.25Å; P701-F714 HydrophobicContact CG-CG 3.57Å; P701-F714 HydrophobicContact CG-CZ 3.63Å; I708-F714 CarbonylContact O-C 3.52Å; I708-F714 VanDerWaalsContact O-CA 3.3Å; I708-F714 WeakPolarHBondContact O-CA 3.46Å; F714-S726 WeakPolarHBondContact CE2-O 3.04Å; F714-I727 HydrophobicContact CE2-CG2 4.3Å; F714-I727 HydrophobicContact CZ-CG2 4.4Å
715	N	71.7	Confident	65.7	Low	64 Å²	64	67.3 Å²	67.3	34%	0.342	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.4	163	-174.8	25.1	0	0	0	107.7	I708 V710 P725	I708-N715 HydrophobicContact CD1-CB 4.3Å; I708-N715 HydrophobicContact CG1-CB 4.05Å; I708-N715 VanDerWaalsContact CG1-O 3.24Å; I708-N715 WeakPolarHBondContact CG1-O 3.39Å; I708-N715 PolarHBondContact N-O 2.9Å; I708-N715 PolarHBondContact O-N 2.66Å; V710-N715 HydrophobicContact CG2-CB 3.64Å; N715-P725 PolarHBondContact OD1-O 3.37Å; N715-P725 VanDerWaalsContact OD1-O 3.12Å
716	C	71.8	Confident	64.8	Low	7 Å²	7	70 Å²	70	5%	0.047	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	-174.6	-60	0	0	0	0	112.5	C702 C718 P725 C728	C702-C716 WeakPolarHBondContact CA-SG 3.25Å; C702-C716 HydrophobicContact CB-CB 3.72Å; C702-C716 WeakPolarHBondContact CB-SG 3.1Å; C702-C716 VanDerWaalsContact SG-CA 3.52Å; C702-C716 WeakPolarHBondContact SG-CB 3.41Å; C702-C716 CovalentContact SG-SG 2.03Å; C702-C716 PolarHBondContact SG-SG 3.21Å; C716-C718 PolarHBondContact O-N 3.49Å; C716-P725 WeakPolarHBondContact CB-O 3.42Å; C716-P725 PolarHBondContact N-O 3.21Å; C716-C728 HydrophobicContact CB-CB 4.31Å; C716-C728 WeakPolarHBondContact CB-SG 3.34Å
717	I	77.8	Confident	63.8	Low	91 Å²	91	65.3 Å²	65.3	47%	0.467	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	97.3	170.2	-56.8	177.8	0	0	0	107.6	G705 E706 I708	G705-I717 CarbonylContact C-O 3.55Å; G705-I717 WeakPolarHBondContact CA-O 3.35Å; E706-I717 HydrophobicContact CB-CB 4.34Å; E706-I717 PolarHBondContact N-O 2.89Å; E706-I717 PolarHBondContact O-N 3.11Å; I708-I717 HydrophobicContact CD1-CD1 4.17Å; I708-I717 HydrophobicContact CD1-CG1 4.01Å; I708-I717 HydrophobicContact CG1-CG1 4.23Å; I708-I717 HydrophobicContact CG2-CD1 3.72Å; I708-I717 HydrophobicContact CG2-CG1 4.21Å
718	C	66.6	Low	62.9	Low	36 Å²	36	63.6 Å²	63.6	24%	0.243	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.9	-174.3	-59.5	0	0	0	0	113.8	C716 Y722 V724 C728	C716-C718 PolarHBondContact O-N 3.49Å; C718-Y722 VanDerWaalsContact CB-O 3.26Å; C718-Y722 WeakPolarHBondContact CB-O 3.16Å; C718-V724 PolarHBondContact SG-O 3.4Å; C718-C728 WeakPolarHBondContact CA-SG 3.41Å; C718-C728 HydrophobicContact CB-CB 3.92Å; C718-C728 WeakPolarHBondContact CB-SG 3.25Å; C718-C728 PolarHBondContact N-SG 3.29Å; C718-C728 VanDerWaalsContact N-SG 3.37Å; C718-C728 VanDerWaalsContact SG-CA 3.53Å; C718-C728 WeakPolarHBondContact SG-CB 3.45Å; C718-C728 CovalentContact SG-SG 2.04Å; C718-C728 PolarHBondContact SG-SG 2.76Å
719	E	70.7	Confident	61.7	Low	121 Å²	121	63.1 Å²	63.1	57%	0.565	38%	0.383	S	S	*	.			trans	-66.3	159.2	169.1	-67.6	-174.9	178.7	0	0	111.1	F704 G721 Y722	F704-E719 PolarHBondContact O-N 2.73Å; E719-G721 PolarHBondContact O-N 3.45Å; E719-Y722 HydrophobicContact CB-CD2 3.98Å; E719-Y722 HydrophobicContact CB-CE2 4.15Å; E719-Y722 PolarHBondContact O-N 2.78Å; E719-Y722 VanDerWaalsContact O-N 3.13Å
720	A	60.8	Low	61.1	Low	114 Å²	114	62.3 Å²	62.3	94%	0.942	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	106.8	-176.4	0	0	0	0	0	111.5
721	G	54.7	Low	60.7	Low	45 Å²	45	60.8 Å²	60.8	46%	0.464	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	124.1	-4.9	-176.6	0	0	0	0	0	114.9	E719	E719-G721 PolarHBondContact O-N 3.45Å
722	Y	56.3	Low	60.6	Low	52 Å²	52	57.4 Å²	57.4	20%	0.204	35%	0.345	C	S	.	.			trans	-115.6	133.7	176.2	-54.5	-96	0	0	0	110.2	F704 C718 E719 A732	F704-Y722 HydrophobicContact CB-CD1 3.7Å; F704-Y722 HydrophobicContact CB-CD2 3.76Å; F704-Y722 HydrophobicContact CB-CE1 3.49Å; F704-Y722 VanDerWaalsContact CB-CE1 3.49Å; F704-Y722 HydrophobicContact CB-CE2 3.58Å; F704-Y722 HydrophobicContact CB-CG 3.83Å; F704-Y722 VanDerWaalsContact CB-CZ 3.44Å; F704-Y722 HydrophobicContact CD1-CE1 4.1Å; F704-Y722 HydrophobicContact CD1-CE2 4.44Å; F704-Y722 AromaticContact CD1-CZ 3.75Å; F704-Y722 WeakPolarHBondContact CD1-OH 3.1Å; F704-Y722 AromaticContact CD2-CD1 3.82Å; F704-Y722 HydrophobicContact CD2-CD1 3.82Å; F704-Y722 AromaticContact CD2-CE1 3.22Å; F704-Y722 HydrophobicContact CD2-CE1 3.22Å; F704-Y722 AromaticContact CD2-CZ 3.78Å; F704-Y722 AromaticContact CE2-CE1 3.87Å; F704-Y722 HydrophobicContact CE2-CE1 3.87Å; F704-Y722 HydrophobicContact CG-CD1 4Å; F704-Y722 AromaticContact CG-CE1 3.34Å; F704-Y722 HydrophobicContact CG-CE1 3.34Å; F704-Y722 HydrophobicContact CG-CE2 4.05Å; F704-Y722 AromaticContact CG-CZ 3.39Å; C718-Y722 VanDerWaalsContact CB-O 3.26Å; C718-Y722 WeakPolarHBondContact CB-O 3.16Å; E719-Y722 HydrophobicContact CB-CD2 3.98Å; E719-Y722 HydrophobicContact CB-CE2 4.15Å; E719-Y722 PolarHBondContact O-N 2.78Å; E719-Y722 VanDerWaalsContact O-N 3.13Å; Y722-A732 HydrophobicContact CD1-CB 4.03Å; Y722-A732 HydrophobicContact CE1-CB 3.48Å; Y722-A732 VanDerWaalsContact CE1-CB 3.48Å
723	T	55.6	Low	61.2	Low	68 Å²	68	54.8 Å²	54.8	42%	0.417	33%	0.332	S	S	.	.			trans	-117.8	-12.6	-162.4	45.6	0	0	0	0	116.1	P725	T723-P725 WeakPolarHBondContact O-CD 3.06Å
724	V	54.4	Low	61.9	Low	54 Å²	54	56.2 Å²	56.2	33%	0.327	34%	0.336	S	S	.	.			trans	-89.9	109.1	-177.4	-174.1	0	0	0	0	110.7	C718 S726 C728	C718-V724 PolarHBondContact SG-O 3.4Å; V724-S726 VanDerWaalsContact C-N 3.31Å; V724-S726 PolarHBondContact O-N 3.48Å; V724-C728 WeakPolarHBondContact O-CA 3.45Å; V724-C728 PolarHBondContact O-N 3.25Å
725	P	55	Low	62	Low	84 Å²	84	58 Å²	58	55%	0.545	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.5	-168.2	-22.5	34.2	0	0	0	114.8	N715 C716 T723 I727	N715-P725 PolarHBondContact OD1-O 3.37Å; N715-P725 VanDerWaalsContact OD1-O 3.12Å; C716-P725 WeakPolarHBondContact CB-O 3.42Å; C716-P725 PolarHBondContact N-O 3.21Å; T723-P725 WeakPolarHBondContact O-CD 3.06Å; P725-I727 PolarHBondContact O-N 3.31Å
726	S	56.6	Low	62	Low	73 Å²	73	56 Å²	56	51%	0.51	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.2	-170.1	43.8	0	0	0	0	114.4	F714 V724	F714-S726 WeakPolarHBondContact CE2-O 3.04Å; V724-S726 VanDerWaalsContact C-N 3.31Å; V724-S726 PolarHBondContact O-N 3.48Å
727	I	60.2	Low	62.2	Low	39 Å²	39	59.9 Å²	59.9	20%	0.2	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.5	-5.4	-178.3	45.7	176	0	0	0	114.7	C702 K703 F714 P725 N729	C702-I727 WeakPolarHBondContact CA-O 3.33Å; K703-I727 PolarHBondContact N-O 2.91Å; F714-I727 HydrophobicContact CE2-CG2 4.3Å; F714-I727 HydrophobicContact CZ-CG2 4.4Å; P725-I727 PolarHBondContact O-N 3.31Å; I727-N729 HydrophobicContact CB-CB 4.18Å; I727-N729 HydrophobicContact CD1-CB 3.57Å; I727-N729 HydrophobicContact CG1-CB 3.67Å; I727-N729 PolarHBondContact O-N 2.91Å; I727-N729 VanDerWaalsContact O-N 3.1Å
728	C	60	Low	61.6	Low	1 Å²	1	57.9 Å²	57.9	1%	0.007	36%	0.363	C	S	.	.			trans	45	39	-170.3	-54.7	0	0	0	0	113.2	F704 C716 C718 V724	F704-C728 PolarHBondContact N-O 3.38Å; F704-C728 WeakPolarHBondContact O-CB 3.48Å; C716-C728 HydrophobicContact CB-CB 4.31Å; C716-C728 WeakPolarHBondContact CB-SG 3.34Å; C718-C728 WeakPolarHBondContact CA-SG 3.41Å; C718-C728 HydrophobicContact CB-CB 3.92Å; C718-C728 WeakPolarHBondContact CB-SG 3.25Å; C718-C728 PolarHBondContact N-SG 3.29Å; C718-C728 VanDerWaalsContact N-SG 3.37Å; C718-C728 VanDerWaalsContact SG-CA 3.53Å; C718-C728 WeakPolarHBondContact SG-CB 3.45Å; C718-C728 CovalentContact SG-SG 2.04Å; C718-C728 PolarHBondContact SG-SG 2.76Å; V724-C728 WeakPolarHBondContact O-CA 3.45Å; V724-C728 PolarHBondContact O-N 3.25Å
729	N	56.7	Low	61.8	Low	53 Å²	53	60.6 Å²	60.6	28%	0.283	37%	0.372	S	S	.	.			trans	-97.9	107.8	-178.5	-164.6	27.5	0	0	0	108.3	K703 I727	K703-N729 WeakPolarHBondContact CD-OD1 3.36Å; K703-N729 PolarHBondContact NZ-OD1 3.32Å; I727-N729 HydrophobicContact CB-CB 4.18Å; I727-N729 HydrophobicContact CD1-CB 3.57Å; I727-N729 HydrophobicContact CG1-CB 3.67Å; I727-N729 PolarHBondContact O-N 2.91Å; I727-N729 VanDerWaalsContact O-N 3.1Å
730	T	53.2	Low	61.3	Low	51 Å²	51	59.4 Å²	59.4	31%	0.313	37%	0.373	S	S	.	.	S	Bend	trans	51.1	86	155.2	51.3	0	0	0	0	117.6	F704	F704-T730 HydrophobicContact CE2-CG2 4.39Å
731	Y	55.4	Low	61.3	Low	35 Å²	35	58 Å²	58	14%	0.137	35%	0.349	C	S	.	.			trans	-135.6	61.2	135	-136.6	-84.6	0	0	0	110.6	P746 C748 E757 H758	Y731-P746 HydrophobicContact CD1-CB 3.69Å; Y731-P746 HydrophobicContact CD1-CG 3.81Å; Y731-P746 HydrophobicContact CD2-CG 3.71Å; Y731-P746 HydrophobicContact CE1-CB 4.36Å; Y731-P746 HydrophobicContact CE1-CG 4.43Å; Y731-P746 WeakPolarHBondContact CE1-O 3.34Å; Y731-P746 HydrophobicContact CE2-CG 4.34Å; Y731-P746 HydrophobicContact CG-CB 3.78Å; Y731-P746 HydrophobicContact CG-CG 3.39Å; Y731-C748 HydrophobicContact CE1-CB 4.47Å; Y731-C748 VanDerWaalsContact CE1-SG 3.59Å; Y731-E757 HydrophobicContact CE2-CG 4.36Å; Y731-E757 WeakPolarHBondContact CE2-OE1 3.07Å; Y731-E757 WeakPolarHBondContact OH-CG 3.14Å; Y731-E757 PolarHBondContact OH-OE1 2.64Å; Y731-H758 AromaticContact CD2-CE1 3.91Å
732	A	59	Low	61.1	Low	18 Å²	18	62.6 Å²	62.6	15%	0.149	37%	0.374	C	S	.	.			trans	-99.4	98.8	-164.5	0	0	0	0	0	111.1	Y722 N734 H758	Y722-A732 HydrophobicContact CD1-CB 4.03Å; Y722-A732 HydrophobicContact CE1-CB 3.48Å; Y722-A732 VanDerWaalsContact CE1-CB 3.48Å; A732-N734 PolarHBondContact O-N 3.45Å; A732-H758 VanDerWaalsContact O-CB 3.25Å; A732-H758 WeakPolarHBondContact O-CB 3.34Å
733	C	64.9	Low	60.5	Low	10 Å²	10	64.1 Å²	64.1	7%	0.068	39%	0.392	C	S	.	.			trans	-68.7	15.1	-172.1	-52.4	0	0	0	0	116.6	T735 G736 C738 C748 H758 C759	C733-T735 PolarHBondContact O-N 2.81Å; C733-G736 WeakPolarHBondContact O-CA 3.41Å; C733-G736 PolarHBondContact O-N 2.81Å; C733-C738 VanDerWaalsContact SG-CA 3.59Å; C733-C748 WeakPolarHBondContact CA-SG 3.3Å; C733-C748 HydrophobicContact CB-CB 3.6Å; C733-C748 WeakPolarHBondContact CB-SG 3.4Å; C733-C748 WeakPolarHBondContact SG-CA 3.38Å; C733-C748 WeakPolarHBondContact SG-CB 3.43Å; C733-C748 CovalentContact SG-SG 2.03Å; C733-C748 PolarHBondContact SG-SG 2.69Å; C733-H758 CarbonylContact C-O 3.57Å; C733-H758 WeakPolarHBondContact CA-O 3.14Å; C733-C759 VanDerWaalsContact O-CB 3.27Å; C733-C759 WeakPolarHBondContact O-CB 3.03Å; C733-C759 PolarHBondContact O-SG 2.81Å
734	N	69.9	Low	60.4	Low	113 Å²	113	63.3 Å²	63.3	60%	0.604	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.1	-82	-176.6	-73	-73.5	0	0	0	115.9	A732 H758	A732-N734 PolarHBondContact O-N 3.45Å; N734-H758 VanDerWaalsContact CB-O 3.24Å; N734-H758 WeakPolarHBondContact CB-O 3.41Å; N734-H758 PolarHBondContact N-O 3.47Å; N734-H758 VanDerWaalsContact N-O 3.16Å; N734-H758 PolarHBondContact ND2-O 2.88Å
735	T	70.5	Confident	60.2	Low	90 Å²	90	65 Å²	65	55%	0.552	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-6.2	-179.2	57.3	0	0	0	0	114.3	C733 P751	C733-T735 PolarHBondContact O-N 2.81Å; T735-P751 WeakPolarHBondContact O-CG 3.39Å
736	G	71.9	Confident	60.4	Low	20 Å²	20	62.4 Å²	62.4	21%	0.206	39%	0.388	C	S	.	.	S	Bend	trans	-98.1	-178.8	178.6	0	0	0	0	0	114.5	C733 Q749	C733-G736 WeakPolarHBondContact O-CA 3.41Å; C733-G736 PolarHBondContact O-N 2.81Å; G736-Q749 CarbonylContact C-O 3.57Å; G736-Q749 WeakPolarHBondContact CA-O 3.22Å
737	T	76	Confident	60.7	Low	90 Å²	90	60.6 Å²	60.6	55%	0.552	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.1	-174.4	-44.4	0	0	0	0	110.4	Q749	T737-Q749 PolarHBondContact N-O 2.75Å; T737-Q749 PolarHBondContact O-N 3.24Å
738	C	65.8	Low	61.2	Low	49 Å²	49	59.2 Å²	59.2	33%	0.331	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.8	174	-169.7	0	0	0	0	110.7	C733	C733-C738 VanDerWaalsContact SG-CA 3.59Å
739	Q	69.3	Low	62	Low	92 Å²	92	63.8 Å²	63.8	43%	0.43	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	170.1	166.8	-63.1	-166.9	-30	0	0	109.4	P746 I747 Q749	Q739-P746 CarbonylContact O-C 3.45Å; Q739-P746 WeakPolarHBondContact O-CA 3.33Å; Q739-I747 HydrophobicContact CB-CG2 3.83Å; Q739-I747 PolarHBondContact N-O 2.72Å; Q739-I747 PolarHBondContact O-N 2.74Å; Q739-Q749 HydrophobicContact CG-CG 4.19Å; Q739-Q749 VanDerWaalsContact OE1-NE2 3.14Å
740	V	60.9	Low	62.7	Low	97 Å²	97	63.1 Å²	63.1	59%	0.588	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	128.7	177.8	-176.6	0	0	0	0	108.6	G744 D745	V740-G744 WeakPolarHBondContact CG1-O 3.45Å; V740-D745 CarbonylContact C-O 3.4Å; V740-D745 WeakPolarHBondContact CA-O 3.15Å
741	L	60.2	Low	63.7	Low	85 Å²	85	63.3 Å²	63.3	45%	0.445	39%	0.388	S	S	.	.			trans	-74.4	161.2	176.9	-65	174.8	0	0	0	111	S743 G744 D745 I747	L741-S743 PolarHBondContact O-N 3.32Å; L741-S743 VanDerWaalsContact O-N 3.14Å; L741-G744 PolarHBondContact O-N 3.14Å; L741-D745 HydrophobicContact CD1-CB 4.42Å; L741-D745 PolarHBondContact N-O 3.14Å; L741-I747 HydrophobicContact CD2-CG2 4.2Å; L741-I747 HydrophobicContact CG-CB 4.48Å; L741-I747 HydrophobicContact CG-CG2 4.11Å
742	S	52	Low	64.1	Low	140 Å²	140	71.2 Å²	71.2	98%	0.979	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.9	179.3	43.3	0	0	0	0	114.7
743	S	43.4	Very low	63.9	Low	85 Å²	85	72.3 Å²	72.3	59%	0.594	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-23.1	168.3	47.6	0	0	0	0	113.5	L741 D745	L741-S743 PolarHBondContact O-N 3.32Å; L741-S743 VanDerWaalsContact O-N 3.14Å; S743-D745 WeakPolarHBondContact CB-OD2 3.07Å; S743-D745 PolarHBondContact OG-OD2 3.17Å
744	G	52.1	Low	63.9	Low	51 Å²	51	72.9 Å²	72.9	53%	0.526	44%	0.442	S	S	.	.	S	Bend	trans	109.2	-9.6	-171.5	0	0	0	0	0	114.1	V740 L741	V740-G744 WeakPolarHBondContact CG1-O 3.45Å; L741-G744 PolarHBondContact O-N 3.14Å
745	D	51.5	Low	63.4	Low	90 Å²	90	70.2 Å²	70.2	48%	0.481	43%	0.426	S	S	.	.			trans	-78.1	137	-173.5	-52.9	-58.9	0	0	0	112.7	V740 L741 S743	V740-D745 CarbonylContact C-O 3.4Å; V740-D745 WeakPolarHBondContact CA-O 3.15Å; L741-D745 HydrophobicContact CD1-CB 4.42Å; L741-D745 PolarHBondContact N-O 3.14Å; S743-D745 WeakPolarHBondContact CB-OD2 3.07Å; S743-D745 PolarHBondContact OG-OD2 3.17Å
746	P	58.5	Low	62.6	Low	29 Å²	29	67.1 Å²	67.1	19%	0.188	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	148.8	173.6	32.6	-35.5	0	0	0	112.2	Y731 Q739	Y731-P746 HydrophobicContact CD1-CB 3.69Å; Y731-P746 HydrophobicContact CD1-CG 3.81Å; Y731-P746 HydrophobicContact CD2-CG 3.71Å; Y731-P746 HydrophobicContact CE1-CB 4.36Å; Y731-P746 HydrophobicContact CE1-CG 4.43Å; Y731-P746 WeakPolarHBondContact CE1-O 3.34Å; Y731-P746 HydrophobicContact CE2-CG 4.34Å; Y731-P746 HydrophobicContact CG-CB 3.78Å; Y731-P746 HydrophobicContact CG-CG 3.39Å; Q739-P746 CarbonylContact O-C 3.45Å; Q739-P746 WeakPolarHBondContact O-CA 3.33Å
747	I	64	Low	62.3	Low	35 Å²	35	71.3 Å²	71.3	18%	0.179	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.5	178.8	-173.3	173.7	0	0	0	110.9	Q739 L741 Y826	Q739-I747 HydrophobicContact CB-CG2 3.83Å; Q739-I747 PolarHBondContact N-O 2.72Å; Q739-I747 PolarHBondContact O-N 2.74Å; L741-I747 HydrophobicContact CD2-CG2 4.2Å; L741-I747 HydrophobicContact CG-CB 4.48Å; L741-I747 HydrophobicContact CG-CG2 4.11Å; I747-Y826 HydrophobicContact CD1-CE2 3.83Å; I747-Y826 WeakPolarHBondContact CD1-OH 3.39Å; I747-Y826 WeakPolarHBondContact CG1-OH 3.27Å
748	C	70.8	Confident	62	Low	10 Å²	10	68.7 Å²	68.7	7%	0.068	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.2	-173.7	-69.4	0	0	0	0	114	Y731 C733 C750 E757	Y731-C748 HydrophobicContact CE1-CB 4.47Å; Y731-C748 VanDerWaalsContact CE1-SG 3.59Å; C733-C748 WeakPolarHBondContact CA-SG 3.3Å; C733-C748 HydrophobicContact CB-CB 3.6Å; C733-C748 WeakPolarHBondContact CB-SG 3.4Å; C733-C748 WeakPolarHBondContact SG-CA 3.38Å; C733-C748 WeakPolarHBondContact SG-CB 3.43Å; C733-C748 CovalentContact SG-SG 2.03Å; C733-C748 PolarHBondContact SG-SG 2.69Å; C748-C750 PolarHBondContact O-N 2.83Å; C748-E757 WeakPolarHBondContact CB-O 3.21Å; C748-E757 PolarHBondContact SG-O 3.34Å
749	Q	76.4	Confident	62.3	Low	97 Å²	97	66.5 Å²	66.5	45%	0.453	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	98.7	172.1	-64.8	-167	-39.3	0	0	111.4	G736 T737 Q739	G736-Q749 CarbonylContact C-O 3.57Å; G736-Q749 WeakPolarHBondContact CA-O 3.22Å; T737-Q749 PolarHBondContact N-O 2.75Å; T737-Q749 PolarHBondContact O-N 3.24Å; Q739-Q749 HydrophobicContact CG-CG 4.19Å; Q739-Q749 VanDerWaalsContact OE1-NE2 3.14Å
750	C	70.7	Confident	62.4	Low	39 Å²	39	67 Å²	67	26%	0.264	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-76.8	149.5	-177.8	-52.8	0	0	0	0	114.1	C748 V754 C759	C748-C750 PolarHBondContact O-N 2.83Å; C750-V754 VanDerWaalsContact CB-O 3.28Å; C750-V754 WeakPolarHBondContact CB-O 3.45Å; C750-C759 WeakPolarHBondContact CA-SG 3.35Å; C750-C759 HydrophobicContact CB-CB 3.7Å; C750-C759 WeakPolarHBondContact CB-SG 3.27Å; C750-C759 WeakPolarHBondContact SG-CA 3.01Å; C750-C759 WeakPolarHBondContact SG-CB 3.02Å; C750-C759 CovalentContact SG-SG 2.04Å; C750-C759 PolarHBondContact SG-SG 3.14Å
751	P	75	Confident	62.4	Low	55 Å²	55	65.8 Å²	65.8	36%	0.357	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-67.9	161.3	170.4	-16.6	31.9	0	0	0	112.4	T735 G753 V754	T735-P751 WeakPolarHBondContact O-CG 3.39Å; P751-G753 PolarHBondContact O-N 2.6Å; P751-V754 PolarHBondContact O-N 3.26Å; P751-V754 VanDerWaalsContact O-N 3.11Å
752	E	63.2	Low	62.3	Low	201 Å²	201	69.2 Å²	69.2	94%	0.939	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	133.6	173.5	-71.1	-168.8	131.2	0	0	112.2	V754	E752-V754 VanDerWaalsContact C-N 3.3Å; E752-V754 PolarHBondContact O-N 2.84Å
753	G	54.6	Low	61.9	Low	41 Å²	41	66 Å²	66	42%	0.423	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	9.3	-179.4	0	0	0	0	0	115	P751	P751-G753 PolarHBondContact O-N 2.6Å
754	V	64.5	Low	61.7	Low	21 Å²	21	68.7 Å²	68.7	13%	0.127	37%	0.374	C	S	.	.			trans	-126.1	136.9	172.9	-165.6	0	0	0	0	109.9	C750 P751 E752 C759 I761	C750-V754 VanDerWaalsContact CB-O 3.28Å; C750-V754 WeakPolarHBondContact CB-O 3.45Å; P751-V754 PolarHBondContact O-N 3.26Å; P751-V754 VanDerWaalsContact O-N 3.11Å; E752-V754 VanDerWaalsContact C-N 3.3Å; E752-V754 PolarHBondContact O-N 2.84Å; V754-C759 HydrophobicContact CG1-CB 4.04Å; V754-C759 WeakPolarHBondContact CG1-O 3.49Å; V754-I761 WeakPolarHBondContact CA-O 3.4Å
755	F	60	Low	60.8	Low	58 Å²	58	73 Å²	73	25%	0.254	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-138.3	-176.8	-171.6	-44.3	-85	0	0	0	111.3	C759 E760 I761 P763 L813	F755-C759 CarbonylContact O-C 3.55Å; F755-C759 VanDerWaalsContact O-CA 3.28Å; F755-C759 WeakPolarHBondContact O-CA 3.48Å; F755-E760 PolarHBondContact O-N 2.91Å; F755-E760 VanDerWaalsContact O-N 3.16Å; F755-I761 HydrophobicContact CB-CB 4.2Å; F755-I761 PolarHBondContact N-O 3.4Å; F755-I761 WeakPolarHBondContact O-CA 3.01Å; F755-I761 WeakPolarHBondContact O-CB 3.21Å; F755-I761 PolarHBondContact O-N 2.04Å; F755-P763 HydrophobicContact CD2-CG 4.46Å; F755-P763 HydrophobicContact CE2-CG 4.1Å; F755-L813 HydrophobicContact CE1-CD1 3.83Å
756	G	53.6	Low	59.6	Low	24 Å²	24	76.6 Å²	76.6	25%	0.247	40%	0.395	C	S	.	.	S	Bend	trans	94.2	160.5	-173.6	0	0	0	0	0	112.2	H758 C759 E760	G756-H758 PolarHBondContact O-N 2.04Å; G756-C759 PolarHBondContact O-N 3.3Å; G756-E760 WeakPolarHBondContact CA-OE1 3.23Å; G756-E760 WeakPolarHBondContact CA-OE2 3.02Å
757	E	66	Low	58.1	Low	108 Å²	108	80.3 Å²	80.3	51%	0.505	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26	-178.9	-172	-177.1	-179.7	0	0	112.2	Y731 C748	Y731-E757 HydrophobicContact CE2-CG 4.36Å; Y731-E757 WeakPolarHBondContact CE2-OE1 3.07Å; Y731-E757 WeakPolarHBondContact OH-CG 3.14Å; Y731-E757 PolarHBondContact OH-OE1 2.64Å; C748-E757 WeakPolarHBondContact CB-O 3.21Å; C748-E757 PolarHBondContact SG-O 3.34Å
758	H	70.2	Confident	56.5	Low	36 Å²	36	87.2 Å²	87.2	17%	0.167	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	13.8	-177.9	-73.7	6	0	0	0	111.5	Y731 A732 C733 N734 G756 E760	Y731-H758 AromaticContact CD2-CE1 3.91Å; A732-H758 VanDerWaalsContact O-CB 3.25Å; A732-H758 WeakPolarHBondContact O-CB 3.34Å; C733-H758 CarbonylContact C-O 3.57Å; C733-H758 WeakPolarHBondContact CA-O 3.14Å; N734-H758 VanDerWaalsContact CB-O 3.24Å; N734-H758 WeakPolarHBondContact CB-O 3.41Å; N734-H758 PolarHBondContact N-O 3.47Å; N734-H758 VanDerWaalsContact N-O 3.16Å; N734-H758 PolarHBondContact ND2-O 2.88Å; G756-H758 PolarHBondContact O-N 2.04Å; H758-E760 VanDerWaalsContact CA-OE2 3.27Å; H758-E760 WeakPolarHBondContact CA-OE2 3.39Å; H758-E760 WeakPolarHBondContact CB-OE2 3.23Å; H758-E760 PolarHBondContact N-OE2 3.23Å; H758-E760 PolarHBondContact O-N 3.02Å
759	C	72.2	Confident	54.5	Low	3 Å²	3	89.9 Å²	89.9	2%	0.02	49%	0.487	C	S	.	.	S	Bend	trans	54.8	38.7	-175.4	-42.6	0	0	0	0	113.6	C733 C750 V754 F755 G756	C733-C759 VanDerWaalsContact O-CB 3.27Å; C733-C759 WeakPolarHBondContact O-CB 3.03Å; C733-C759 PolarHBondContact O-SG 2.81Å; C750-C759 WeakPolarHBondContact CA-SG 3.35Å; C750-C759 HydrophobicContact CB-CB 3.7Å; C750-C759 WeakPolarHBondContact CB-SG 3.27Å; C750-C759 WeakPolarHBondContact SG-CA 3.01Å; C750-C759 WeakPolarHBondContact SG-CB 3.02Å; C750-C759 CovalentContact SG-SG 2.04Å; C750-C759 PolarHBondContact SG-SG 3.14Å; V754-C759 HydrophobicContact CG1-CB 4.04Å; V754-C759 WeakPolarHBondContact CG1-O 3.49Å; F755-C759 CarbonylContact O-C 3.55Å; F755-C759 VanDerWaalsContact O-CA 3.28Å; F755-C759 WeakPolarHBondContact O-CA 3.48Å; G756-C759 PolarHBondContact O-N 3.3Å
760	E	71.2	Confident	52.1	Low	101 Å²	101	96.2 Å²	96.2	47%	0.472	51%	0.507	S	S	.	.			trans	-89.3	-24.1	-179.2	73.4	-71.4	172.9	0	0	113.5	F755 G756 H758 K762	F755-E760 PolarHBondContact O-N 2.91Å; F755-E760 VanDerWaalsContact O-N 3.16Å; G756-E760 WeakPolarHBondContact CA-OE1 3.23Å; G756-E760 WeakPolarHBondContact CA-OE2 3.02Å; H758-E760 VanDerWaalsContact CA-OE2 3.27Å; H758-E760 WeakPolarHBondContact CA-OE2 3.39Å; H758-E760 WeakPolarHBondContact CB-OE2 3.23Å; H758-E760 PolarHBondContact N-OE2 3.23Å; H758-E760 PolarHBondContact O-N 3.02Å; E760-K762 PolarHBondContact O-N 2.95Å
761	I	59.5	Low	50	Low	72 Å²	72	101.8 Å²	101.8	37%	0.369	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-88.1	99	-172.8	-49.9	177.7	0	0	0	110.1	V754 F755	V754-I761 WeakPolarHBondContact CA-O 3.4Å; F755-I761 HydrophobicContact CB-CB 4.2Å; F755-I761 PolarHBondContact N-O 3.4Å; F755-I761 WeakPolarHBondContact O-CA 3.01Å; F755-I761 WeakPolarHBondContact O-CB 3.21Å; F755-I761 PolarHBondContact O-N 2.04Å
762	K	58.2	Low	47.9	Very low	157 Å²	157	103.5 Å²	103.5	68%	0.683	54%	0.543	S	S	*	.			trans	-107	105.2	167.2	-173.6	179.9	-179.9	-179.1	0	110.2	E760 E764	E760-K762 PolarHBondContact O-N 2.95Å; K762-E764 PolarHBondContact O-N 3.44Å
763	P	45.3	Very low	46.3	Very low	74 Å²	74	100 Å²	100	48%	0.481	53%	0.53	S	S	.	.			trans	-74.5	108.8	-172.4	27.5	-33.6	0	0	0	113.4	F755 I765	F755-P763 HydrophobicContact CD2-CG 4.46Å; F755-P763 HydrophobicContact CE2-CG 4.1Å; P763-I765 PolarHBondContact O-N 3.47Å
764	E	38	Very low	45.1	Very low	140 Å²	140	103.9 Å²	103.9	65%	0.654	55%	0.548	S	S	*	.			trans	-90.2	87.1	168.8	-74.8	-160.2	174.3	0	0	112.4	K762 K766	K762-E764 PolarHBondContact O-N 3.44Å; E764-K766 PolarHBondContact O-N 2.9Å; E764-K766 IonicContact OE2-NZ 2.58Å; E764-K766 PolarHBondContact OE2-NZ 3.22Å
765	I	33.1	Very low	43.5	Very low	143 Å²	143	108.3 Å²	108.3	73%	0.733	58%	0.575	S	S	*	*			trans	-80	101.3	174.2	-53.2	179.4	0	0	0	110.2	P763 C767	P763-I765 PolarHBondContact O-N 3.47Å; I765-C767 VanDerWaalsContact CG2-SG 3.59Å; I765-C767 PolarHBondContact O-N 3.43Å
766	K	26.8	Very low	42	Very low	164 Å²	164	111.9 Å²	111.9	71%	0.713	60%	0.597	S	S	*	*			trans	-86.2	76.6	177.9	-69.4	-168.1	176.9	73.8	0	112.9	E764 N768	E764-K766 PolarHBondContact O-N 2.9Å; E764-K766 IonicContact OE2-NZ 2.58Å; E764-K766 PolarHBondContact OE2-NZ 3.22Å; K766-N768 PolarHBondContact O-N 2.92Å; K766-N768 VanDerWaalsContact O-N 3.16Å
767	C	27.9	Very low	40.7	Very low	107 Å²	107	115.2 Å²	115.2	72%	0.723	62%	0.617	S	S	*	*			trans	-73.1	98.7	175.2	-70.3	0	0	0	0	113.2	I765	I765-C767 VanDerWaalsContact CG2-SG 3.59Å; I765-C767 PolarHBondContact O-N 3.43Å
768	N	29.4	Very low	38.9	Very low	181 Å²	181	119 Å²	119	97%	0.968	63%	0.632	S	S	*	*			trans	-98.1	71.2	165.6	-97.7	-18.3	0	0	0	111.1	K766	K766-N768 PolarHBondContact O-N 2.92Å; K766-N768 VanDerWaalsContact O-N 3.16Å
769	G	28.4	Very low	36.8	Very low	65 Å²	65	121.9 Å²	121.9	67%	0.67	65%	0.652	S	S	*	*			trans	-157.2	119.5	174.8	0	0	0	0	0	109.6
770	R	26.1	Very low	34.6	Very low	231 Å²	231	128.4 Å²	128.4	87%	0.872	69%	0.686	S	S	*	*			trans	-109.9	100	-154.1	-173.6	-176.6	-179.7	-173.9	1.8	114.1	T772	R770-T772 HydrophobicContact CG-CG2 3.88Å
771	L	27.4	Very low	32.4	Very low	156 Å²	156	128 Å²	128	82%	0.817	69%	0.694	S	S	*	*			trans	-130.6	119	157	-67.8	168	0	0	0	105.6
772	T	30	Very low	30.9	Very low	91 Å²	91	129.5 Å²	129.5	56%	0.558	71%	0.706	S	S	*	*			cis	93	27	28.6	80.6	0	0	0	0	117.8	R770	R770-T772 HydrophobicContact CG-CG2 3.88Å
773	N	30.2	Very low	29.4	Very low	126 Å²	126	124.7 Å²	124.7	67%	0.674	70%	0.702	S	S	*	*				-167.4	161.3	123.8	-97.7	-26.5	0	0	0	112.4	T775	N773-T775 PolarHBondContact O-N 3.46Å
774	P	29.7	Very low	28.4	Very low	124 Å²	124	128.9 Å²	128.9	81%	0.805	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	41.4	-160.6	38.2	-37.8	0	0	0	114.5
775	T	31.5	Very low	28.1	Very low	113 Å²	113	127.2 Å²	127.2	69%	0.693	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	-1.3	-179.5	49.1	0	0	0	0	114.8	N773 S777	N773-T775 PolarHBondContact O-N 3.46Å; T775-S777 VanDerWaalsContact C-N 3.34Å; T775-S777 PolarHBondContact O-N 2.03Å
776	D	26.5	Very low	27.9	Very low	133 Å²	133	125.2 Å²	125.2	71%	0.711	72%	0.723	S	S	*	*			trans	-84.5	77.4	-170.1	-61.6	-14.4	0	0	0	111.1	F778	D776-F778 PolarHBondContact O-N 3.46Å
777	S	27.8	Very low	28.1	Very low	95 Å²	95	126 Å²	126	66%	0.664	73%	0.729	S	S	*	*			trans	-68.3	121.5	166.2	46.2	0	0	0	0	110.2	T775 V779	T775-S777 VanDerWaalsContact C-N 3.34Å; T775-S777 PolarHBondContact O-N 2.03Å; S777-V779 PolarHBondContact O-N 3.07Å
778	F	26.7	Very low	28.1	Very low	188 Å²	188	126 Å²	126	83%	0.825	72%	0.722	S	S	*	*			trans	-76.3	79.4	166.2	-159.7	-85.9	0	0	0	109.4	D776 L780	D776-F778 PolarHBondContact O-N 3.46Å; F778-L780 HydrophobicContact CD1-CG 4.42Å; F778-L780 HydrophobicContact CE1-CD2 3.9Å; F778-L780 HydrophobicContact CE1-CG 4.02Å; F778-L780 PolarHBondContact O-N 3.38Å
779	V	27	Very low	28.1	Very low	96 Å²	96	123.1 Å²	123.1	58%	0.582	71%	0.711	S	S	*	*			trans	-78.6	113.3	170.8	-170.5	0	0	0	0	107.8	S777 S781	S777-V779 PolarHBondContact O-N 3.07Å; V779-S781 VanDerWaalsContact C-N 3.27Å; V779-S781 PolarHBondContact O-N 3.49Å
780	L	26.2	Very low	28	Very low	140 Å²	140	125.9 Å²	125.9	73%	0.733	71%	0.714	S	S	*	*			trans	-68	96	156.7	-79.8	173.3	0	0	0	107	F778 T782	F778-L780 HydrophobicContact CD1-CG 4.42Å; F778-L780 HydrophobicContact CE1-CD2 3.9Å; F778-L780 HydrophobicContact CE1-CG 4.02Å; F778-L780 PolarHBondContact O-N 3.38Å; L780-T782 PolarHBondContact O-N 2.92Å
781	S	25.8	Very low	27.9	Very low	92 Å²	92	119.2 Å²	119.2	64%	0.643	70%	0.702	S	S	*	*			trans	-88.5	93	-164.3	166.1	0	0	0	0	112.6	V779 G783	V779-S781 VanDerWaalsContact C-N 3.27Å; V779-S781 PolarHBondContact O-N 3.49Å; S781-G783 PolarHBondContact O-N 2.61Å; S781-G783 PolarHBondContact OG-N 3.33Å
782	T	26.6	Very low	27.9	Very low	103 Å²	103	115.4 Å²	115.4	63%	0.632	70%	0.701	S	S	*	*			trans	-86.1	62.1	144.9	46.3	0	0	0	0	109.4	L780 N784	L780-T782 PolarHBondContact O-N 2.92Å; T782-N784 PolarHBondContact O-N 3.11Å; T782-N784 VanDerWaalsContact O-N 3.17Å
783	G	26.7	Very low	28	Very low	57 Å²	57	117.2 Å²	117.2	59%	0.588	71%	0.706	S	S	*	*			trans	-72.3	106.1	-176.7	0	0	0	0	0	113	S781	S781-G783 PolarHBondContact O-N 2.61Å; S781-G783 PolarHBondContact OG-N 3.33Å
784	N	25.6	Very low	27.9	Very low	162 Å²	162	120.7 Å²	120.7	87%	0.866	72%	0.718	S	S	*	*	S	Bend	trans	33	90.3	158.3	-74.5	-19	0	0	0	118.1	T782	T782-N784 PolarHBondContact O-N 3.11Å; T782-N784 VanDerWaalsContact O-N 3.17Å
785	S	31.1	Very low	28.1	Very low	104 Å²	104	119.1 Å²	119.1	73%	0.727	70%	0.702	S	S	*	*	S	Bend		-175.4	116.6	118.1	56.1	0	0	0	0	111.8
786	S	29.5	Very low	28.1	Very low	102 Å²	102	117.2 Å²	117.2	71%	0.713	69%	0.694	S	S	*	*	S	Bend	trans	43.3	116.5	161.1	55.2	0	0	0	0	118.1
787	E	29.2	Very low	28.5	Very low	181 Å²	181	115.9 Å²	115.9	85%	0.846	69%	0.692	S	S	*	*	S	Bend	trans	77.3	152.9	176.1	-60.5	150.9	-154.4	0	0	113.8
788	D	29	Very low	28.8	Very low	106 Å²	106	116.7 Å²	116.7	57%	0.567	69%	0.689	S	S	*	*			trans	58.2	130.3	-175.8	-57.7	-19.8	0	0	0	119.2	Y892	D788-Y892 VanDerWaalsContact OD1-CE1 3.3Å; D788-Y892 WeakPolarHBondContact OD1-CE1 3.49Å
789	T	28.8	Very low	29.3	Very low	120 Å²	120	109.7 Å²	109.7	74%	0.736	67%	0.666	S	S	*	*			trans	-145.5	111.9	168.5	-57.8	0	0	0	0	109.6
790	V	27.2	Very low	30.1	Very low	123 Å²	123	110.1 Å²	110.1	75%	0.745	66%	0.664	S	S	*	*			trans	-107.2	137.1	179.4	177.9	0	0	0	0	109.6
791	C	24.2	Very low	30.6	Very low	92 Å²	92	110.6 Å²	110.6	62%	0.622	67%	0.667	S	S	*	*			trans	-134.1	116.8	171	-78.9	0	0	0	0	109.2	F814	C791-F814 HydrophobicContact CB-CZ 4.22Å
792	G	27.6	Very low	31.2	Very low	76 Å²	76	115.7 Å²	115.7	78%	0.784	67%	0.672	S	S	*	*			trans	-162.3	148.6	178	0	0	0	0	0	110.2
793	L	30.4	Very low	31.9	Very low	128 Å²	128	115.4 Å²	115.4	67%	0.67	67%	0.666	S	S	*	*			trans	-141.6	97.5	-176.3	-171.9	116.8	0	0	0	110	I795	L793-I795 HydrophobicContact CD2-CG1 4.32Å
794	E	28.9	Very low	32.1	Very low	200 Å²	200	115.5 Å²	115.5	94%	0.935	67%	0.667	S	S	*	*			trans	-67.4	133.2	177	-67.2	-175.1	124.6	0	0	111.7
795	I	34.4	Very low	32.6	Very low	91 Å²	91	118.4 Å²	118.4	47%	0.467	67%	0.672	S	S	.	*			trans	-109.7	124.3	167.9	-60.1	178.7	0	0	0	107.5	L793 A799 I800 L810	L793-I795 HydrophobicContact CD2-CG1 4.32Å; I795-A799 HydrophobicContact CG2-CB 4.17Å; I795-I800 HydrophobicContact CG2-CG1 4.17Å; I795-L810 HydrophobicContact CD1-CD1 4.32Å
796	S	31.4	Very low	32.7	Very low	73 Å²	73	121.8 Å²	121.8	51%	0.51	67%	0.674	S	S	.	*			trans	-59.8	137.2	-179.1	-179.6	0	0	0	0	112	D798 A799 I800	S796-D798 PolarHBondContact O-N 3.14Å; S796-A799 VanDerWaalsContact O-CB 3.31Å; S796-A799 WeakPolarHBondContact O-CB 3.34Å; S796-A799 PolarHBondContact O-N 3.03Å; S796-I800 PolarHBondContact O-N 3.42Å
797	P	34.7	Very low	32.9	Very low	104 Å²	104	125 Å²	125	68%	0.675	68%	0.675	S	S	*	*	H	α-helix	trans	-53.2	-36.9	175.5	-28.8	35.9	0	0	0	113.8	A799 I800 D801	P797-A799 PolarHBondContact O-N 2.82Å; P797-A799 VanDerWaalsContact O-N 3.13Å; P797-I800 PolarHBondContact O-N 3.49Å; P797-D801 PolarHBondContact O-N 2.78Å; P797-D801 VanDerWaalsContact O-N 3.16Å
798	D	34.6	Very low	33.1	Very low	112 Å²	112	121.7 Å²	121.7	60%	0.599	66%	0.662	S	S	*	*	H	α-helix	trans	-61.4	-18.5	176.4	-114.8	43.9	0	0	0	113.9	S796 R802	S796-D798 PolarHBondContact O-N 3.14Å; D798-R802 WeakPolarHBondContact O-CD 3.05Å; D798-R802 WeakPolarHBondContact O-CG 3.44Å; D798-R802 PolarHBondContact O-NE 3.08Å
799	A	36.5	Very low	33.2	Very low	41 Å²	41	125 Å²	125	34%	0.339	67%	0.668	S	S	.	*	H	α-helix	trans	-88.7	-33.9	173.4	0	0	0	0	0	112	I795 S796 P797 R802 L803	I795-A799 HydrophobicContact CG2-CB 4.17Å; S796-A799 VanDerWaalsContact O-CB 3.31Å; S796-A799 WeakPolarHBondContact O-CB 3.34Å; S796-A799 PolarHBondContact O-N 3.03Å; P797-A799 PolarHBondContact O-N 2.82Å; P797-A799 VanDerWaalsContact O-N 3.13Å; A799-R802 PolarHBondContact O-N 2.87Å; A799-L803 WeakPolarHBondContact O-CG 3.41Å
800	I	43.3	Very low	33.2	Very low	106 Å²	106	125.6 Å²	125.6	54%	0.544	67%	0.665	S	S	.	*	H	α-helix	trans	-67.3	-44.9	179	-60.4	174.7	0	0	0	110.2	I795 S796 P797 R802 L803	I795-I800 HydrophobicContact CG2-CG1 4.17Å; S796-I800 PolarHBondContact O-N 3.42Å; P797-I800 PolarHBondContact O-N 3.49Å; I800-R802 PolarHBondContact O-N 3.45Å; I800-R802 VanDerWaalsContact O-N 3.09Å; I800-L803 PolarHBondContact O-N 3.41Å
801	D	38	Very low	33.5	Very low	150 Å²	150	127.6 Å²	127.6	80%	0.802	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-19.2	180	-162.3	50.9	0	0	0	113.3	P797	P797-D801 PolarHBondContact O-N 2.78Å; P797-D801 VanDerWaalsContact O-N 3.16Å
802	R	38.1	Very low	33.8	Very low	199 Å²	199	128.9 Å²	128.9	75%	0.751	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-7.6	175.3	-63.9	176.4	-170.1	-122	-0.5	114	D798 A799 I800 G804	D798-R802 WeakPolarHBondContact O-CD 3.05Å; D798-R802 WeakPolarHBondContact O-CG 3.44Å; D798-R802 PolarHBondContact O-NE 3.08Å; A799-R802 PolarHBondContact O-N 2.87Å; I800-R802 PolarHBondContact O-N 3.45Å; I800-R802 VanDerWaalsContact O-N 3.09Å; R802-G804 PolarHBondContact O-N 3.39Å
803	L	40.2	Very low	33.8	Very low	97 Å²	97	130.4 Å²	130.4	51%	0.508	65%	0.649	S	S	.	*	S	Bend	trans	-101.4	47.4	-173.3	-68	171.1	0	0	0	112.7	A799 I800 K805 I808	A799-L803 WeakPolarHBondContact O-CG 3.41Å; I800-L803 PolarHBondContact O-N 3.41Å; L803-K805 PolarHBondContact O-N 2.81Å; L803-I808 HydrophobicContact CD1-CD1 4.43Å; L803-I808 HydrophobicContact CD2-CD1 3.85Å
804	G	32.1	Very low	33.8	Very low	59 Å²	59	131.9 Å²	131.9	61%	0.608	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	118.3	-174.3	0	0	0	0	0	115.2	R802 K806	R802-G804 PolarHBondContact O-N 3.39Å; G804-K806 VanDerWaalsContact C-N 3.34Å; G804-K806 PolarHBondContact O-N 3.38Å
805	K	35.8	Very low	33.7	Very low	223 Å²	223	127.8 Å²	127.8	97%	0.97	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	48	40	167.3	-65.7	-166.7	174.4	-171.3	0	116.2	L803	L803-K805 PolarHBondContact O-N 2.81Å
806	K	32.6	Very low	33.4	Very low	174 Å²	174	130.1 Å²	130.1	76%	0.757	66%	0.662	S	S	*	*			trans	-132.8	120.4	168.7	-70	-175	177.5	-179.3	0	111.4	G804 I808	G804-K806 VanDerWaalsContact C-N 3.34Å; G804-K806 PolarHBondContact O-N 3.38Å; K806-I808 PolarHBondContact O-N 2.95Å
807	K	34.8	Very low	33.5	Very low	170 Å²	170	134.2 Å²	134.2	74%	0.739	68%	0.678	S	S	*	*			trans	-59.4	133.2	169.7	-66.2	-168.4	177.1	-167.5	0	109.1
808	I	32.1	Very low	33.2	Very low	111 Å²	111	138 Å²	138	57%	0.569	69%	0.686	S	S	*	*			trans	-125.6	128	173	-65.3	179.3	0	0	0	107.4	L803 K806	L803-I808 HydrophobicContact CD1-CD1 4.43Å; L803-I808 HydrophobicContact CD2-CD1 3.85Å; K806-I808 PolarHBondContact O-N 2.95Å
809	Y	32.2	Very low	33.1	Very low	176 Å²	176	138.5 Å²	138.5	69%	0.69	70%	0.695	S	S	*	*			trans	-96.6	130.5	177.4	-57.7	-74.1	0	0	0	110.4
810	L	28.9	Very low	32.8	Very low	132 Å²	132	141.6 Å²	141.6	69%	0.691	72%	0.715	S	S	*	*			trans	-114.2	115.5	173.3	-77.2	167.5	0	0	0	108.9	I795	I795-L810 HydrophobicContact CD1-CD1 4.32Å
811	R	32.3	Very low	32	Very low	166 Å²	166	145.8 Å²	145.8	63%	0.626	73%	0.732	S	S	*	*			trans	-100.5	110.5	173.4	-173.3	178.7	-175.5	173.4	3.8	109.8	L813	R811-L813 HydrophobicContact CG-CG 4.48Å
812	I	31.7	Very low	31.4	Very low	118 Å²	118	144.7 Å²	144.7	61%	0.605	74%	0.735	S	S	*	*			trans	-92.2	139.2	169	-57.2	178.4	0	0	0	108	F814	I812-F814 HydrophobicContact CG2-CD2 4.16Å; I812-F814 HydrophobicContact CG2-CE2 3.61Å; I812-F814 HydrophobicContact CG2-CZ 3.88Å
813	L	27.6	Very low	30.7	Very low	109 Å²	109	142.6 Å²	142.6	57%	0.571	74%	0.738	S	S	*	*			trans	-126.1	109.7	-178.8	-90.3	160.7	0	0	0	109.5	F755 R811	F755-L813 HydrophobicContact CE1-CD1 3.83Å; R811-L813 HydrophobicContact CG-CG 4.48Å
814	F	29	Very low	30.3	Very low	159 Å²	159	145.4 Å²	145.4	70%	0.697	75%	0.749	S	S	*	*			trans	-90.7	143.7	167.4	-64.5	-78.1	0	0	0	109.8	C791 I812	C791-F814 HydrophobicContact CB-CZ 4.22Å; I812-F814 HydrophobicContact CG2-CD2 4.16Å; I812-F814 HydrophobicContact CG2-CE2 3.61Å; I812-F814 HydrophobicContact CG2-CZ 3.88Å
815	S	27	Very low	30.2	Very low	114 Å²	114	148.9 Å²	148.9	80%	0.797	75%	0.754	S	S	*	*			trans	-139.6	105.4	-172.5	174.4	0	0	0	0	110.9
816	T	29	Very low	29.8	Very low	139 Å²	139	145.9 Å²	145.9	85%	0.853	74%	0.737	S	S	*	*			trans	-132.1	91.5	172.3	47.3	0	0	0	0	111.2
817	L	32.4	Very low	29.7	Very low	160 Å²	160	144.8 Å²	144.8	84%	0.838	74%	0.739	S	S	*	*			trans	26.2	94.6	151	-68.1	166.2	0	0	0	119.7
818	Q	30.1	Very low	29.3	Very low	183 Å²	183	143.7 Å²	143.7	86%	0.855	74%	0.736	S	S	*	*			trans	78.9	147	140.9	-69	-164.6	-32	0	0	120.4
819	P	32.6	Very low	29.1	Very low	122 Å²	122	144.5 Å²	144.5	79%	0.792	74%	0.741	S	S	*	*			trans	-138.8	145.8	-135.8	38.3	-18.2	0	0	0	117.2
820	S	28.2	Very low	28.9	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	73%	0.731	S	S	*	*	S	Bend	trans	-160	132.9	150.8	54.2	0	0	0	0	109
821	E	26.7	Very low	28.8	Very low	194 Å²	194	139 Å²	139	91%	0.907	74%	0.738	S	S	*	*	S	Bend	trans	60.7	74.7	169.7	-62.4	173.4	-165.2	0	0	116
822	C	25.8	Very low	28.6	Very low	127 Å²	127	136.1 Å²	136.1	86%	0.858	74%	0.739	S	S	*	*			trans	-151.4	151.1	136.3	-109.7	0	0	0	0	110.2
823	N	24.7	Very low	28.4	Very low	155 Å²	155	135.3 Å²	135.3	83%	0.829	74%	0.744	S	S	*	*			trans	-93.2	-156.5	168.8	-77.2	-35.1	0	0	0	109.1
824	E	30.9	Very low	28.5	Very low	156 Å²	156	135.7 Å²	135.7	73%	0.729	74%	0.741	S	S	*	*			trans	71.9	164.2	167.6	-35.2	-170.4	169.8	0	0	114.4
825	N	30.2	Very low	28.5	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	73%	0.729	S	S	*	*			cis	-133.4	152.3	4	-115.8	-53.5	0	0	0	111.2
826	Y	27.4	Very low	28.7	Very low	159 Å²	159	131 Å²	131	62%	0.624	72%	0.717	S	S	*	*			trans	-118.9	127.8	167.7	-84	-100.4	0	0	0	108.6	I747	I747-Y826 HydrophobicContact CD1-CE2 3.83Å; I747-Y826 WeakPolarHBondContact CD1-OH 3.39Å; I747-Y826 WeakPolarHBondContact CG1-OH 3.27Å
827	L	30.7	Very low	28.9	Very low	152 Å²	152	130.1 Å²	130.1	80%	0.796	71%	0.706	S	S	*	*			trans	-97.9	110.2	-179.4	-178.2	69	0	0	0	110.5	I829	L827-I829 HydrophobicContact CD2-CG1 4.4Å; L827-I829 HydrophobicContact CG-CG1 4.32Å
828	E	26.7	Very low	28.8	Very low	146 Å²	146	125.5 Å²	125.5	68%	0.682	68%	0.682	S	S	*	*			trans	-96.6	121	170	-171.1	176.9	179.4	0	0	110	N830	E828-N830 PolarHBondContact O-N 3.05Å; E828-N830 PolarHBondContact OE1-ND2 2.84Å; E828-N830 PolarHBondContact OE1-OD1 3.14Å
829	I	27.1	Very low	29.2	Very low	129 Å²	129	126.1 Å²	126.1	66%	0.662	68%	0.678	S	S	*	*			trans	-94.4	82.3	176.6	-54.5	175.9	0	0	0	108.7	L827	L827-I829 HydrophobicContact CD2-CG1 4.4Å; L827-I829 HydrophobicContact CG-CG1 4.32Å
830	N	27.2	Very low	29.8	Very low	89 Å²	89	123 Å²	123	48%	0.476	66%	0.657	S	S	.	*			trans	-84.1	135.3	163.4	-76.3	-33.3	0	0	0	109.8	E828 V832	E828-N830 PolarHBondContact O-N 3.05Å; E828-N830 PolarHBondContact OE1-ND2 2.84Å; E828-N830 PolarHBondContact OE1-OD1 3.14Å; N830-V832 PolarHBondContact O-N 3.03Å
831	A	27	Very low	31.1	Very low	103 Å²	103	118.2 Å²	118.2	85%	0.851	62%	0.624	S	S	*	*			trans	-82.5	83	-175.7	0	0	0	0	0	109.7	S833	A831-S833 PolarHBondContact O-N 3.18Å; A831-S833 VanDerWaalsContact O-N 3.13Å
832	V	28.6	Very low	32.5	Very low	105 Å²	105	115.3 Å²	115.3	64%	0.636	61%	0.61	S	S	*	*			trans	-61.2	110.6	-175.4	-173.6	0	0	0	0	111.2	N830 F834	N830-V832 PolarHBondContact O-N 3.03Å; V832-F834 HydrophobicContact CG1-CB 3.96Å; V832-F834 HydrophobicContact CG1-CD2 3.69Å; V832-F834 HydrophobicContact CG1-CG 4.25Å; V832-F834 PolarHBondContact O-N 3.2Å
833	S	28.3	Very low	34.2	Very low	102 Å²	102	115.3 Å²	115.3	71%	0.713	60%	0.602	S	S	*	*			trans	-97.3	59.5	171.3	64.8	0	0	0	0	111.6	A831	A831-S833 PolarHBondContact O-N 3.18Å; A831-S833 VanDerWaalsContact O-N 3.13Å
834	F	28.6	Very low	35.9	Very low	117 Å²	117	114.1 Å²	114.1	51%	0.513	59%	0.586	S	S	.	*			trans	-99.9	110.8	169.1	-94.5	-102.9	0	0	0	110.1	V832 W852	V832-F834 HydrophobicContact CG1-CB 3.96Å; V832-F834 HydrophobicContact CG1-CD2 3.69Å; V832-F834 HydrophobicContact CG1-CG 4.25Å; V832-F834 PolarHBondContact O-N 3.2Å; F834-W852 HydrophobicContact CE2-CZ2 4.1Å; F834-W852 HydrophobicContact CZ-CZ2 4.17Å
835	H	30.6	Very low	37.7	Very low	96 Å²	96	111 Å²	111	44%	0.444	58%	0.577	S	S	.	*			trans	-152	114.8	136.8	-132.2	85.9	0	0	0	111.4	S855 N857 Y858	H835-S855 PolarHBondContact CE1-O 3.31Å; H835-N857 PolarHBondContact CE1-N 2.95Å; H835-N857 PolarHBondContact NE2-N 3.46Å; H835-Y858 PolarHBondContact CE1-N 3.13Å; H835-Y858 PolarHBondContact ND1-O 3.23Å
836	S	29.9	Very low	39.2	Very low	77 Å²	77	107 Å²	107	54%	0.538	56%	0.556	S	S	.	*			trans	-111	134.6	170.3	55.9	0	0	0	0	110.3
837	L	32.5	Very low	40.7	Very low	122 Å²	122	104.7 Å²	104.7	64%	0.639	56%	0.56	S	S	*	*			trans	55.1	101.5	155.9	-59.2	168.6	0	0	0	116.8	Y839	L837-Y839 PolarHBondContact O-N 2.58Å
838	I	31.7	Very low	41.9	Very low	63 Å²	63	99.1 Å²	99.1	32%	0.323	54%	0.539	S	S	.	.			trans	-69.2	93.6	164.8	-53.7	-172.7	0	0	0	109.8	F328 N857	F328-I838 HydrophobicContact CE1-CB 4.27Å; F328-I838 HydrophobicContact CE1-CD1 3.53Å; F328-I838 HydrophobicContact CE1-CG1 3.78Å; F328-I838 HydrophobicContact CE2-CB 4.17Å; F328-I838 HydrophobicContact CZ-CB 3.6Å; F328-I838 HydrophobicContact CZ-CD1 3.64Å; F328-I838 HydrophobicContact CZ-CG1 3.65Å; I838-N857 WeakPolarHBondContact CD1-OD1 3.48Å
839	Y	38.3	Very low	43.3	Very low	196 Å²	196	99.1 Å²	99.1	77%	0.769	54%	0.539	S	S	*	.	S	Bend	trans	-122.3	138.6	139.3	-89.8	-95.3	0	0	0	107.8	L837 C841	L837-Y839 PolarHBondContact O-N 2.58Å; Y839-C841 PolarHBondContact O-N 2.86Å
840	P	44.7	Very low	45	Very low	56 Å²	56	99.6 Å²	99.6	36%	0.364	55%	0.548	S	S	.	.			trans	-74.8	86.5	-161.2	29.3	-36.7	0	0	0	113.2	H842 I866	P840-H842 PolarHBondContact O-N 3Å; P840-H842 PolarHBondContact O-ND1 3.09Å; P840-I866 HydrophobicContact CB-CG2 4Å
841	C	54.8	Low	46.4	Very low	6 Å²	6	98.4 Å²	98.4	4%	0.041	56%	0.557	C	S	.	*			trans	45.4	17.1	151.9	59.4	0	0	0	0	120.6	Y839 P856 N867 C868 S869 W870	Y839-C841 PolarHBondContact O-N 2.86Å; C841-P856 HydrophobicContact CB-CG 3.76Å; C841-N867 PolarHBondContact SG-O 3.11Å; C841-C868 HydrophobicContact CB-CB 3.5Å; C841-C868 WeakPolarHBondContact CB-SG 3.25Å; C841-C868 WeakPolarHBondContact O-CA 3.47Å; C841-C868 WeakPolarHBondContact SG-CA 3.49Å; C841-C868 WeakPolarHBondContact SG-CB 3.28Å; C841-C868 CovalentContact SG-SG 2.03Å; C841-C868 PolarHBondContact SG-SG 3.49Å; C841-S869 PolarHBondContact O-N 2.91Å; C841-W870 HydrophobicContact CB-CZ2 4.21Å
842	H	57	Low	48.2	Very low	133 Å²	133	100.7 Å²	100.7	62%	0.616	54%	0.544	S	S	*	.			trans	-69.9	139.5	-179.3	-75.7	13.8	0	0	0	113.6	P840 R844 N867	P840-H842 PolarHBondContact O-N 3Å; P840-H842 PolarHBondContact O-ND1 3.09Å; H842-R844 PolarHBondContact O-N 3.5Å; H842-R844 VanDerWaalsContact O-N 3.13Å; H842-N867 PolarHBondContact CE1-O 3Å; H842-N867 PolarHBondContact ND1-O 2.66Å; H842-N867 VanDerWaalsContact ND1-O 3.11Å
843	D	62	Low	50	Low	128 Å²	128	98.6 Å²	98.6	68%	0.684	53%	0.526	S	S	*	.			trans	30	58.8	166.9	-69.3	-26.1	0	0	0	116.9	S869	D843-S869 WeakPolarHBondContact CA-O 3.34Å; D843-S869 PolarHBondContact N-O 3.13Å; D843-S869 WeakPolarHBondContact OD1-CB 3.45Å; D843-S869 PolarHBondContact OD1-OG 3.29Å
844	R	60.5	Low	51.8	Low	130 Å²	130	96.2 Å²	96.2	49%	0.491	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.3	172.7	-65.8	-168.8	178.9	-165.4	3.1	110.7	H842 S869 W870 T871	H842-R844 PolarHBondContact O-N 3.5Å; H842-R844 VanDerWaalsContact O-N 3.13Å; R844-S869 PolarHBondContact N-O 2.03Å; R844-W870 CarbonylContact O-C 3.54Å; R844-W870 VanDerWaalsContact O-CA 3.28Å; R844-W870 WeakPolarHBondContact O-CA 3.28Å; R844-T871 PolarHBondContact O-N 2.83Å
845	T	67.3	Low	53.5	Low	91 Å²	91	92.6 Å²	92.6	56%	0.558	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.6	165.5	-56.9	0	0	0	0	109.7	P847 T871	T845-P847 VanDerWaalsContact O-CD 3.28Å; T845-P847 WeakPolarHBondContact O-CD 3.32Å; T845-T871 CarbonylContact C-O 3.59Å; T845-T871 WeakPolarHBondContact CA-O 3.44Å
846	L	63.4	Low	55	Low	48 Å²	48	88.6 Å²	88.6	25%	0.251	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	95	179	-60.7	173.8	0	0	0	109.2	F853 W870 T871 I872 S873	L846-F853 HydrophobicContact CD1-CB 4.02Å; L846-F853 HydrophobicContact CD1-CD1 4.11Å; L846-F853 HydrophobicContact CD1-CG 4.38Å; L846-W870 HydrophobicContact CD1-CB 4.21Å; L846-T871 PolarHBondContact N-O 3.3Å; L846-I872 HydrophobicContact CD1-CG1 4.18Å; L846-S873 PolarHBondContact O-N 2.04Å
847	P	58	Low	56.4	Low	109 Å²	109	86.7 Å²	86.7	71%	0.708	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.5	173	33.4	-32	0	0	0	110.9	T845	T845-P847 VanDerWaalsContact O-CD 3.28Å; T845-P847 WeakPolarHBondContact O-CD 3.32Å
848	G	55.4	Low	57.2	Low	35 Å²	35	85.1 Å²	85.1	36%	0.361	45%	0.452	S	S	.	.	S	Bend	trans	173.2	174.3	176.8	0	0	0	0	0	112
849	E	57.3	Low	58.2	Low	147 Å²	147	87.2 Å²	87.2	69%	0.687	47%	0.469	S	S	*	.	S	Bend	trans	-89.7	-25.8	161.6	-58	-145.4	146.4	0	0	111.6	K877	E849-K877 IonicContact OE1-NZ 3.56Å; E849-K877 PolarHBondContact OE1-NZ 2.8Å; E849-K877 IonicContact OE2-NZ 3.69Å; E849-K877 PolarHBondContact OE2-NZ 3.16Å
850	T	61.3	Low	59.1	Low	138 Å²	138	83.3 Å²	83.3	85%	0.847	46%	0.462	S	S	*	.	S	Bend	trans	-139.5	166.4	170.9	54.6	0	0	0	0	109
851	G	57.9	Low	59.8	Low	65 Å²	65	87.6 Å²	87.6	67%	0.67	48%	0.482	S	S	*	.			trans	164.5	164.3	176.5	0	0	0	0	0	111.5
852	W	64.3	Low	59.8	Low	150 Å²	150	89.9 Å²	89.9	57%	0.568	49%	0.49	S	S	*	.			trans	-121.3	162.3	-179.9	59.4	94.3	0	0	0	112	F834	F834-W852 HydrophobicContact CE2-CZ2 4.1Å; F834-W852 HydrophobicContact CZ-CZ2 4.17Å
853	F	66.9	Low	59.9	Low	61 Å²	61	85.1 Å²	85.1	27%	0.268	47%	0.47	S	S	.	.			trans	-140.9	162.8	167.5	62.1	-83.6	0	0	0	109.4	L846 W870 I872 V881 F883	L846-F853 HydrophobicContact CD1-CB 4.02Å; L846-F853 HydrophobicContact CD1-CD1 4.11Å; L846-F853 HydrophobicContact CD1-CG 4.38Å; F853-W870 HydrophobicContact CB-CG 4.31Å; F853-W870 AromaticContact CD2-CD2 3.84Å; F853-W870 HydrophobicContact CD2-CD2 3.84Å; F853-W870 AromaticContact CD2-CE2 3.97Å; F853-W870 HydrophobicContact CD2-CE3 4.03Å; F853-W870 HydrophobicContact CD2-CG 4.24Å; F853-W870 HydrophobicContact CD2-CH2 4.42Å; F853-W870 HydrophobicContact CD2-CZ2 4.27Å; F853-W870 HydrophobicContact CD2-CZ3 4.31Å; F853-W870 HydrophobicContact CE2-CD2 4.44Å; F853-W870 HydrophobicContact CE2-CE3 4.22Å; F853-W870 HydrophobicContact CE2-CZ3 4.44Å; F853-W870 HydrophobicContact CG-CD2 4.35Å; F853-W870 HydrophobicContact CG-CG 4.3Å; F853-I872 HydrophobicContact CE1-CD1 4.32Å; F853-V881 HydrophobicContact CE1-CG1 4.03Å; F853-V881 HydrophobicContact CZ-CG1 4.17Å; F853-F883 HydrophobicContact CE2-CE1 4.15Å; F853-F883 AromaticContact CZ-CE1 3.99Å; F853-F883 HydrophobicContact CZ-CE1 3.99Å; F853-F883 HydrophobicContact CZ-CZ 4.2Å
854	S	65.2	Low	60.2	Low	52 Å²	52	87.2 Å²	87.2	36%	0.364	48%	0.476	S	S	.	.			trans	-147	154.8	-179.1	-46.6	0	0	0	0	109.1	W870	S854-W870 WeakPolarHBondContact O-CZ2 3.02Å
855	S	65.3	Low	60.7	Low	41 Å²	41	88.9 Å²	88.9	29%	0.287	50%	0.495	S	S	.	.			trans	-60.1	153	167.6	49.8	0	0	0	0	110.7	H835 Y858	H835-S855 PolarHBondContact CE1-O 3.31Å; S855-Y858 WeakPolarHBondContact O-CB 3.46Å; S855-Y858 PolarHBondContact O-N 3.2Å
856	P	62.2	Low	60.5	Low	12 Å²	12	86.7 Å²	86.7	8%	0.078	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	147.5	168.5	-23.3	34.2	0	0	0	110.9	C841 Y858 Y862 P863 I866	C841-P856 HydrophobicContact CB-CG 3.76Å; P856-Y858 PolarHBondContact O-N 2.8Å; P856-Y862 WeakPolarHBondContact O-CA 3.39Å; P856-Y862 WeakPolarHBondContact O-CB 3.42Å; P856-P863 HydrophobicContact CB-CG 4.39Å; P856-I866 HydrophobicContact CG-CD1 4.02Å
857	N	58.6	Low	60.9	Low	37 Å²	37	89.8 Å²	89.8	20%	0.198	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	-14	-175.9	-54.4	-7.8	0	0	0	117.1	H835 I838 N860 D861 P863	H835-N857 PolarHBondContact CE1-N 2.95Å; H835-N857 PolarHBondContact NE2-N 3.46Å; I838-N857 WeakPolarHBondContact CD1-OD1 3.48Å; N857-N860 CarbonylContact C-O 3.6Å; N857-N860 HydrophobicContact CB-CB 4.24Å; N857-N860 WeakPolarHBondContact O-CB 3.27Å; N857-N860 PolarHBondContact O-N 3.04Å; N857-N860 PolarHBondContact O-ND2 3.48Å; N857-D861 VanDerWaalsContact CB-O 3.26Å; N857-D861 WeakPolarHBondContact CB-O 3.17Å; N857-D861 PolarHBondContact ND2-O 3.27Å; N857-P863 WeakPolarHBondContact ND2-CD 3.28Å
858	Y	49.2	Very low	61.2	Low	90 Å²	90	86.7 Å²	86.7	35%	0.353	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	124.6	-178.7	179	-94.2	0	0	0	112	H835 S855 P856 F885	H835-Y858 PolarHBondContact CE1-N 3.13Å; H835-Y858 PolarHBondContact ND1-O 3.23Å; S855-Y858 WeakPolarHBondContact O-CB 3.46Å; S855-Y858 PolarHBondContact O-N 3.2Å; P856-Y858 PolarHBondContact O-N 2.8Å; Y858-F885 HydrophobicContact CE2-CB 4.45Å; Y858-F885 AromaticContact CE2-CD1 3.93Å; Y858-F885 HydrophobicContact CE2-CD1 3.93Å; Y858-F885 HydrophobicContact CE2-CG 4.43Å
859	P	52.1	Low	61.9	Low	107 Å²	107	86.8 Å²	86.8	70%	0.695	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89	8.2	19.6	36	-38.9	0	0	0	116.5
860	N	58.7	Low	62.5	Low	114 Å²	114	82.9 Å²	82.9	61%	0.61	45%	0.451	S	S	*	.	S	Bend	trans	-90.6	164.5	176.4	-41.9	-92.7	0	0	0	111.5	N857 Y862	N857-N860 CarbonylContact C-O 3.6Å; N857-N860 HydrophobicContact CB-CB 4.24Å; N857-N860 WeakPolarHBondContact O-CB 3.27Å; N857-N860 PolarHBondContact O-N 3.04Å; N857-N860 PolarHBondContact O-ND2 3.48Å; N860-Y862 PolarHBondContact O-N 3.19Å
861	D	59.4	Low	63	Low	146 Å²	146	79.9 Å²	79.9	78%	0.781	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-46.6	128.6	175	-52.2	-5.8	0	0	0	112.2	N857	N857-D861 VanDerWaalsContact CB-O 3.26Å; N857-D861 WeakPolarHBondContact CB-O 3.17Å; N857-D861 PolarHBondContact ND2-O 3.27Å
862	Y	53.3	Low	63.6	Low	53 Å²	53	80.2 Å²	80.2	21%	0.208	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-68.6	150.2	176.3	52.6	-94.1	0	0	0	111.1	P856 N860 H864 I866 L888 E889 D898	P856-Y862 WeakPolarHBondContact O-CA 3.39Å; P856-Y862 WeakPolarHBondContact O-CB 3.42Å; N860-Y862 PolarHBondContact O-N 3.19Å; Y862-H864 PolarHBondContact O-N 2.89Å; Y862-I866 HydrophobicContact CD2-CD1 4.31Å; Y862-L888 HydrophobicContact CE1-CD2 4.18Å; Y862-L888 WeakPolarHBondContact OH-CA 2.99Å; Y862-E889 PolarHBondContact OH-N 3.42Å; Y862-E889 VanDerWaalsContact OH-N 3.08Å; Y862-D898 HydrophobicContact CE2-CB 4.49Å; Y862-D898 WeakPolarHBondContact CE2-OD2 3.46Å; Y862-D898 PolarHBondContact OH-OD2 2.83Å
863	P	59.2	Low	63.7	Low	33 Å²	33	75.6 Å²	75.6	21%	0.214	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-62.7	128.6	175.5	-18	30.6	0	0	0	110.7	P856 N857 I866	P856-P863 HydrophobicContact CB-CG 4.39Å; N857-P863 WeakPolarHBondContact ND2-CD 3.28Å; P863-I866 HydrophobicContact CB-CG2 3.93Å; P863-I866 HydrophobicContact CG-CG2 4.49Å; P863-I866 WeakPolarHBondContact O-CD1 3.26Å; P863-I866 VanDerWaalsContact O-CG1 3.28Å; P863-I866 WeakPolarHBondContact O-CG1 3.35Å; P863-I866 VanDerWaalsContact O-CG2 3.31Å; P863-I866 WeakPolarHBondContact O-CG2 3.31Å
864	H	69.3	Low	63.6	Low	173 Å²	173	74.3 Å²	74.3	80%	0.801	41%	0.405	S	S	*	.	S	Bend	trans	-60	146.4	167.3	32.9	41.2	0	0	0	112	Y862	Y862-H864 PolarHBondContact O-N 2.89Å
865	D	70.5	Confident	63.4	Low	165 Å²	165	77.6 Å²	77.6	88%	0.882	43%	0.426	S	S	*	.	S	Bend	trans	66	47.3	-175.7	-158.6	28.4	0	0	0	114.8
866	I	63.7	Low	63.5	Low	45 Å²	45	79.9 Å²	79.9	23%	0.231	46%	0.456	C	S	.	.			trans	-110.6	151.3	173.1	62.7	179.3	0	0	0	112.3	P840 P856 Y862 P863	P840-I866 HydrophobicContact CB-CG2 4Å; P856-I866 HydrophobicContact CG-CD1 4.02Å; Y862-I866 HydrophobicContact CD2-CD1 4.31Å; P863-I866 HydrophobicContact CB-CG2 3.93Å; P863-I866 HydrophobicContact CG-CG2 4.49Å; P863-I866 WeakPolarHBondContact O-CD1 3.26Å; P863-I866 VanDerWaalsContact O-CG1 3.28Å; P863-I866 WeakPolarHBondContact O-CG1 3.35Å; P863-I866 VanDerWaalsContact O-CG2 3.31Å; P863-I866 WeakPolarHBondContact O-CG2 3.31Å
867	N	71	Confident	63.7	Low	112 Å²	112	84.6 Å²	84.6	60%	0.599	48%	0.475	S	S	*	.			trans	-124.4	125.9	163.5	-91.3	-84.6	0	0	0	108.8	C841 H842	C841-N867 PolarHBondContact SG-O 3.11Å; H842-N867 PolarHBondContact CE1-O 3Å; H842-N867 PolarHBondContact ND1-O 2.66Å; H842-N867 VanDerWaalsContact ND1-O 3.11Å
868	C	64.7	Low	63.8	Low	44 Å²	44	89 Å²	89	30%	0.297	51%	0.505	S	S	.	.			trans	-113.5	148.3	-176.6	-57.7	0	0	0	0	111	C841 W870	C841-C868 HydrophobicContact CB-CB 3.5Å; C841-C868 WeakPolarHBondContact CB-SG 3.25Å; C841-C868 WeakPolarHBondContact O-CA 3.47Å; C841-C868 WeakPolarHBondContact SG-CA 3.49Å; C841-C868 WeakPolarHBondContact SG-CB 3.28Å; C841-C868 CovalentContact SG-SG 2.03Å; C841-C868 PolarHBondContact SG-SG 3.49Å; C868-W870 HydrophobicContact CB-CE3 4.09Å; C868-W870 HydrophobicContact CB-CH2 3.3Å; C868-W870 HydrophobicContact CB-CZ2 3.94Å; C868-W870 HydrophobicContact CB-CZ3 3.37Å
869	S	70.9	Confident	64.2	Low	38 Å²	38	87.2 Å²	87.2	27%	0.266	51%	0.509	S	S	.	.			trans	-144.7	124.4	179	165.1	0	0	0	0	110.2	C841 D843 R844	C841-S869 PolarHBondContact O-N 2.91Å; D843-S869 WeakPolarHBondContact CA-O 3.34Å; D843-S869 PolarHBondContact N-O 3.13Å; D843-S869 WeakPolarHBondContact OD1-CB 3.45Å; D843-S869 PolarHBondContact OD1-OG 3.29Å; R844-S869 PolarHBondContact N-O 2.03Å
870	W	69.3	Low	64.8	Low	65 Å²	65	89.8 Å²	89.8	25%	0.246	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.3	177	-60.9	-87.7	0	0	0	110.1	C841 R844 L846 F853 S854 C868	C841-W870 HydrophobicContact CB-CZ2 4.21Å; R844-W870 CarbonylContact O-C 3.54Å; R844-W870 VanDerWaalsContact O-CA 3.28Å; R844-W870 WeakPolarHBondContact O-CA 3.28Å; L846-W870 HydrophobicContact CD1-CB 4.21Å; F853-W870 HydrophobicContact CB-CG 4.31Å; F853-W870 AromaticContact CD2-CD2 3.84Å; F853-W870 HydrophobicContact CD2-CD2 3.84Å; F853-W870 AromaticContact CD2-CE2 3.97Å; F853-W870 HydrophobicContact CD2-CE3 4.03Å; F853-W870 HydrophobicContact CD2-CG 4.24Å; F853-W870 HydrophobicContact CD2-CH2 4.42Å; F853-W870 HydrophobicContact CD2-CZ2 4.27Å; F853-W870 HydrophobicContact CD2-CZ3 4.31Å; F853-W870 HydrophobicContact CE2-CD2 4.44Å; F853-W870 HydrophobicContact CE2-CE3 4.22Å; F853-W870 HydrophobicContact CE2-CZ3 4.44Å; F853-W870 HydrophobicContact CG-CD2 4.35Å; F853-W870 HydrophobicContact CG-CG 4.3Å; S854-W870 WeakPolarHBondContact O-CZ2 3.02Å; C868-W870 HydrophobicContact CB-CE3 4.09Å; C868-W870 HydrophobicContact CB-CH2 3.3Å; C868-W870 HydrophobicContact CB-CZ2 3.94Å; C868-W870 HydrophobicContact CB-CZ3 3.37Å
871	T	71.3	Confident	64.7	Low	74 Å²	74	87.7 Å²	87.7	45%	0.454	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	100.1	177.7	-62.6	0	0	0	0	109.7	R844 T845 L846	R844-T871 PolarHBondContact O-N 2.83Å; T845-T871 CarbonylContact C-O 3.59Å; T845-T871 WeakPolarHBondContact CA-O 3.44Å; L846-T871 PolarHBondContact N-O 3.3Å
872	I	69.6	Low	64.6	Low	73 Å²	73	85.7 Å²	85.7	37%	0.374	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.8	175.2	-59.3	172.3	0	0	0	109.3	L846 F853 T874 A879 V881	L846-I872 HydrophobicContact CD1-CG1 4.18Å; F853-I872 HydrophobicContact CE1-CD1 4.32Å; I872-T874 HydrophobicContact CG2-CG2 4.19Å; I872-A879 HydrophobicContact CG2-CB 4.06Å; I872-V881 HydrophobicContact CD1-CG2 3.63Å
873	S	67.2	Low	64.5	Low	52 Å²	52	87.8 Å²	87.8	36%	0.364	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	96.6	-175.3	-179.1	0	0	0	0	111.4	L846 P875	L846-S873 PolarHBondContact O-N 2.04Å; S873-P875 WeakPolarHBondContact O-CD 3.43Å
874	T	65.2	Low	64	Low	34 Å²	34	93.3 Å²	93.3	21%	0.209	53%	0.534	C	S	.	.			trans	-111	89.5	177.8	53.6	0	0	0	0	111.6	I872 G876 K877 A879	I872-T874 HydrophobicContact CG2-CG2 4.19Å; T874-G876 PolarHBondContact O-N 2.99Å; T874-K877 PolarHBondContact O-N 3.47Å; T874-K877 VanDerWaalsContact O-O 3.13Å; T874-K877 PolarHBondContact OG1-O 2.77Å; T874-A879 HydrophobicContact CG2-CB 3.98Å
875	P	60.5	Low	63.4	Low	122 Å²	122	91.1 Å²	91.1	79%	0.792	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	102.5	-170.8	-23.3	35.8	0	0	0	113.6	S873	S873-P875 WeakPolarHBondContact O-CD 3.43Å
876	G	68.3	Low	63	Low	89 Å²	89	88 Å²	88	92%	0.918	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	6.7	175.7	0	0	0	0	0	115.7	T874	T874-G876 PolarHBondContact O-N 2.99Å
877	K	65.2	Low	63	Low	110 Å²	110	91.3 Å²	91.3	48%	0.478	52%	0.523	S	S	.	.	S	Bend	trans	-119.6	144.7	171.2	-73.2	176	170.1	173.4	0	109.8	E849 T874	E849-K877 IonicContact OE1-NZ 3.56Å; E849-K877 PolarHBondContact OE1-NZ 2.8Å; E849-K877 IonicContact OE2-NZ 3.69Å; E849-K877 PolarHBondContact OE2-NZ 3.16Å; T874-K877 PolarHBondContact O-N 3.47Å; T874-K877 VanDerWaalsContact O-O 3.13Å; T874-K877 PolarHBondContact OG1-O 2.77Å
878	P	62.3	Low	62.7	Low	129 Å²	129	88.7 Å²	88.7	84%	0.838	51%	0.509	S	S	*	.			trans	-61.6	144.6	165	30	-34	0	0	0	109.3
879	A	57	Low	62.5	Low	53 Å²	53	92.6 Å²	92.6	44%	0.438	52%	0.523	S	S	.	.			trans	-94.2	137.2	167.6	0	0	0	0	0	108.9	I872 T874	I872-A879 HydrophobicContact CG2-CB 4.06Å; T874-A879 HydrophobicContact CG2-CB 3.98Å
880	E	63.8	Low	61.9	Low	162 Å²	162	92.8 Å²	92.8	76%	0.757	53%	0.53	S	S	*	.			trans	-105.2	139.2	164.8	-174.9	156.3	-167.2	0	0	108	V882	E880-V882 HydrophobicContact CG-CG2 4.32Å
881	V	56.4	Low	61	Low	70 Å²	70	97.8 Å²	97.8	42%	0.424	55%	0.554	S	S	.	*			trans	-126	110	-176.8	-176.8	0	0	0	0	107.9	F853 I872 F883	F853-V881 HydrophobicContact CE1-CG1 4.03Å; F853-V881 HydrophobicContact CZ-CG1 4.17Å; I872-V881 HydrophobicContact CD1-CG2 3.63Å; V881-F883 HydrophobicContact CG1-CE2 4.04Å; V881-F883 HydrophobicContact CG1-CZ 4.35Å
882	V	58.8	Low	59.7	Low	104 Å²	104	102.4 Å²	102.4	63%	0.63	56%	0.564	S	S	*	*			trans	-105.9	134.1	178.3	-175.8	0	0	0	0	108.3	E880	E880-V882 HydrophobicContact CG-CG2 4.32Å
883	F	50.6	Low	59	Low	96 Å²	96	103.4 Å²	103.4	42%	0.421	58%	0.576	S	S	.	*			trans	-102.5	105	173.4	-69.1	-93	0	0	0	108.9	F853 V881 F885 I900	F853-F883 HydrophobicContact CE2-CE1 4.15Å; F853-F883 AromaticContact CZ-CE1 3.99Å; F853-F883 HydrophobicContact CZ-CE1 3.99Å; F853-F883 HydrophobicContact CZ-CZ 4.2Å; V881-F883 HydrophobicContact CG1-CE2 4.04Å; V881-F883 HydrophobicContact CG1-CZ 4.35Å; F883-F885 PolarHBondContact O-N 3.49Å; F883-I900 HydrophobicContact CE1-CD1 4.06Å
884	D	48.8	Very low	58.7	Low	150 Å²	150	108 Å²	108	80%	0.802	59%	0.591	S	S	*	*	S	Bend	trans	-65.8	-29.2	176	-64.5	-41.9	0	0	0	112.4
885	F	56	Low	58.4	Low	126 Å²	126	109.4 Å²	109.4	55%	0.553	60%	0.602	S	S	*	*			trans	-147.5	140.9	174.6	179.6	-99	0	0	0	109.7	Y858 F883 D887	Y858-F885 HydrophobicContact CE2-CB 4.45Å; Y858-F885 AromaticContact CE2-CD1 3.93Å; Y858-F885 HydrophobicContact CE2-CD1 3.93Å; Y858-F885 HydrophobicContact CE2-CG 4.43Å; F883-F885 PolarHBondContact O-N 3.49Å; F885-D887 HydrophobicContact CE1-CB 3.72Å; F885-D887 HydrophobicContact CE2-CB 4.4Å; F885-D887 HydrophobicContact CZ-CB 3.5Å; F885-D887 VanDerWaalsContact CZ-CB 3.5Å
886	I	62.6	Low	58.7	Low	100 Å²	100	108.4 Å²	108.4	51%	0.513	59%	0.594	S	S	.	*			trans	-147.5	124	168.5	-173.1	170.3	0	0	0	108.8	L888 I900	I886-L888 HydrophobicContact CD1-CD1 3.98Å; I886-L888 HydrophobicContact CG1-CD1 4.1Å; I886-L888 HydrophobicContact CG1-CG 4.16Å; I886-I900 HydrophobicContact CD1-CD1 4.14Å
887	D	64.6	Low	58.8	Low	114 Å²	114	106.7 Å²	106.7	61%	0.61	57%	0.567	S	S	*	*			trans	-141.5	131.7	169.8	-166.8	5.2	0	0	0	107	F885	F885-D887 HydrophobicContact CE1-CB 3.72Å; F885-D887 HydrophobicContact CE2-CB 4.4Å; F885-D887 HydrophobicContact CZ-CB 3.5Å; F885-D887 VanDerWaalsContact CZ-CB 3.5Å
888	L	63.7	Low	59.2	Low	57 Å²	57	103.8 Å²	103.8	30%	0.298	56%	0.557	S	S	.	*			trans	-150.1	135.9	-170.5	-68.3	175	0	0	0	108.4	Y862 I886 G890 D898 I900	Y862-L888 HydrophobicContact CE1-CD2 4.18Å; Y862-L888 WeakPolarHBondContact OH-CA 2.99Å; I886-L888 HydrophobicContact CD1-CD1 3.98Å; I886-L888 HydrophobicContact CG1-CD1 4.1Å; I886-L888 HydrophobicContact CG1-CG 4.16Å; L888-G890 PolarHBondContact O-N 2.96Å; L888-G890 VanDerWaalsContact O-N 3.1Å; L888-D898 HydrophobicContact CB-CB 4.28Å; L888-D898 HydrophobicContact CD2-CB 4.25Å; L888-I900 HydrophobicContact CD1-CD1 4.22Å; L888-I900 HydrophobicContact CD1-CG1 4.1Å
889	E	61.4	Low	59.4	Low	126 Å²	126	104.3 Å²	104.3	59%	0.589	54%	0.544	S	S	*	.	S	Bend	trans	-64.4	117.5	173.9	-158.4	-152.8	114.7	0	0	109.4	Y862 S897 D898	Y862-E889 PolarHBondContact OH-N 3.42Å; Y862-E889 VanDerWaalsContact OH-N 3.08Å; E889-S897 WeakPolarHBondContact O-CB 3.48Å; E889-S897 VanDerWaalsContact OE1-CB 3.24Å; E889-S897 WeakPolarHBondContact OE1-CB 3.4Å; E889-S897 PolarHBondContact OE1-OG 2.91Å; E889-D898 VanDerWaalsContact CB-OD2 3.27Å; E889-D898 WeakPolarHBondContact CB-OD2 3Å; E889-D898 PolarHBondContact N-OD2 3.02Å; E889-D898 PolarHBondContact O-N 3.07Å
890	G	58	Low	60.1	Low	42 Å²	42	106.1 Å²	106.1	43%	0.433	55%	0.545	S	S	.	.			trans	-177.9	147.7	179.8	0	0	0	0	0	114.6	L888	L888-G890 PolarHBondContact O-N 2.96Å; L888-G890 VanDerWaalsContact O-N 3.1Å
891	K	50	Low	60.2	Low	171 Å²	171	109.9 Å²	109.9	74%	0.743	56%	0.563	S	S	*	*			trans	-98.9	103.4	165.1	-75.7	-179.7	179.2	170.7	0	109.6	Q894 C895	K891-Q894 PolarHBondContact O-N 3.32Å; K891-C895 PolarHBondContact O-N 2.8Å
892	Y	44.5	Very low	60.4	Low	170 Å²	170	111.9 Å²	111.9	67%	0.667	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	138.7	164	-170	-98.3	0	0	0	110.1	D788	D788-Y892 VanDerWaalsContact OD1-CE1 3.3Å; D788-Y892 WeakPolarHBondContact OD1-CE1 3.49Å
893	P	53.5	Low	60.5	Low	94 Å²	94	112.3 Å²	112.3	61%	0.61	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	cis	-97.3	25.5	2.4	40.2	-37	0	0	0	113.4
894	Q	61.1	Low	61.1	Low	149 Å²	149	113.2 Å²	113.2	70%	0.696	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-12.7	-171.1	-65.3	-82.4	-96.4	0	0	114.5	K891 T896	K891-Q894 PolarHBondContact O-N 3.32Å; Q894-T896 VanDerWaalsContact C-N 3.3Å; Q894-T896 HydrophobicContact CB-CG2 3.6Å; Q894-T896 VanDerWaalsContact O-CG2 3.31Å; Q894-T896 WeakPolarHBondContact O-CG2 3.37Å; Q894-T896 PolarHBondContact O-N 2.97Å; Q894-T896 VanDerWaalsContact O-N 3.14Å
895	C	60.4	Low	61.8	Low	64 Å²	64	111.1 Å²	111.1	43%	0.432	56%	0.561	S	S	.	*			trans	42.1	50.6	173.6	-54.5	0	0	0	0	114.1	K891	K891-C895 PolarHBondContact O-N 2.8Å
896	T	66.1	Low	62.1	Low	101 Å²	101	110.1 Å²	110.1	62%	0.62	56%	0.561	S	S	*	*			trans	-89.3	-5.5	-163.7	57.9	0	0	0	0	116.4	Q894	Q894-T896 VanDerWaalsContact C-N 3.3Å; Q894-T896 HydrophobicContact CB-CG2 3.6Å; Q894-T896 VanDerWaalsContact O-CG2 3.31Å; Q894-T896 WeakPolarHBondContact O-CG2 3.37Å; Q894-T896 PolarHBondContact O-N 2.97Å; Q894-T896 VanDerWaalsContact O-N 3.14Å
897	S	70.4	Confident	62.1	Low	52 Å²	52	110.8 Å²	110.8	36%	0.364	57%	0.565	S	S	.	*	S	Bend	trans	-109.1	-78.7	174.6	-46.8	0	0	0	0	108	E889	E889-S897 WeakPolarHBondContact O-CB 3.48Å; E889-S897 VanDerWaalsContact OE1-CB 3.24Å; E889-S897 WeakPolarHBondContact OE1-CB 3.4Å; E889-S897 PolarHBondContact OE1-OG 2.91Å
898	D	72.7	Confident	61.9	Low	50 Å²	50	110.6 Å²	110.6	27%	0.267	56%	0.562	S	S	.	*	S	Bend	trans	-109.4	150.4	177.4	-55.7	-45.7	0	0	0	111.5	Y862 L888 E889	Y862-D898 HydrophobicContact CE2-CB 4.49Å; Y862-D898 WeakPolarHBondContact CE2-OD2 3.46Å; Y862-D898 PolarHBondContact OH-OD2 2.83Å; L888-D898 HydrophobicContact CB-CB 4.28Å; L888-D898 HydrophobicContact CD2-CB 4.25Å; E889-D898 VanDerWaalsContact CB-OD2 3.27Å; E889-D898 WeakPolarHBondContact CB-OD2 3Å; E889-D898 PolarHBondContact N-OD2 3.02Å; E889-D898 PolarHBondContact O-N 3.07Å
899	Y	67.6	Low	61.8	Low	140 Å²	140	114.7 Å²	114.7	55%	0.549	58%	0.582	S	S	.	*			trans	-158.8	165.6	-177.3	61.2	-81.6	0	0	0	111.7
900	I	70.4	Confident	61.8	Low	90 Å²	90	113.8 Å²	113.8	46%	0.462	58%	0.581	S	S	.	*			trans	-123.7	138.7	166.8	-62.7	172.4	0	0	0	106.1	F883 I886 L888	F883-I900 HydrophobicContact CE1-CD1 4.06Å; I886-I900 HydrophobicContact CD1-CD1 4.14Å; L888-I900 HydrophobicContact CD1-CD1 4.22Å; L888-I900 HydrophobicContact CD1-CG1 4.1Å
901	E	67.3	Low	62.2	Low	242 Å²	242	120.3 Å²	120.3	100%	1.131	60%	0.595	S	S	*	*			trans	-105.5	0	179.9	-173.5	174.5	-174	0	0	111.8

Retrieved 901 of 901 residues in 563 ms (Link to these results)

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